NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560351 | 2m5v | 18242 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.053 -0.412 -1.070 3 HA3 GLY 1 HA3 GLY 1 1.554 -0.622 -1.961 4 H ALA 2 H ALA 2 4.140 1.039 -2.271 5 HA ALA 2 HA ALA 2 4.707 3.004 -3.271 6 HB1 ALA 2 HB1 ALA 2 2.399 2.319 -4.457 7 HB2 ALA 2 HB2 ALA 2 1.924 3.863 -3.749 8 HB3 ALA 2 HB3 ALA 2 3.297 3.785 -4.854 9 H MET 3 H MET 3 4.697 5.335 -2.962 10 HA MET 3 HA MET 3 4.655 7.215 -1.683 11 HB2 MET 3 HB2 MET 3 2.026 6.148 -1.531 12 HB3 MET 3 HB3 MET 3 2.458 6.719 0.076 13 HG2 MET 3 HG2 MET 3 1.475 8.567 -0.903 14 HG3 MET 3 HG3 MET 3 3.199 8.869 -1.108 15 HE1 MET 3 HE1 MET 3 2.894 10.548 -2.509 16 HE2 MET 3 HE2 MET 3 3.196 10.255 -4.222 17 HE3 MET 3 HE3 MET 3 1.570 10.657 -3.669 18 H ALA 4 H ALA 4 4.198 7.801 0.886 19 HA ALA 4 HA ALA 4 5.016 7.616 3.002 20 HB1 ALA 4 HB1 ALA 4 4.324 5.754 3.992 21 HB2 ALA 4 HB2 ALA 4 3.971 5.093 2.395 22 HB3 ALA 4 HB3 ALA 4 5.538 4.794 3.146 23 H MET 5 H MET 5 6.977 8.514 3.128 24 HA MET 5 HA MET 5 9.287 6.960 2.166 25 HB2 MET 5 HB2 MET 5 8.778 9.263 1.157 26 HB3 MET 5 HB3 MET 5 9.292 9.923 2.704 27 HG2 MET 5 HG2 MET 5 11.490 9.207 2.418 28 HG3 MET 5 HG3 MET 5 11.047 8.060 1.155 29 HE1 MET 5 HE1 MET 5 9.648 11.628 1.471 30 HE2 MET 5 HE2 MET 5 11.303 11.985 1.966 31 HE3 MET 5 HE3 MET 5 10.692 12.594 0.427 32 H ALA 6 H ALA 6 9.215 5.779 4.204 33 HA ALA 6 HA ALA 6 10.559 7.280 6.350 34 HB1 ALA 6 HB1 ALA 6 8.083 5.722 6.478 35 HB2 ALA 6 HB2 ALA 6 9.262 5.321 7.728 36 HB3 ALA 6 HB3 ALA 6 8.692 6.981 7.553 37 H LYS 7 H LYS 7 12.439 6.430 6.958 38 HA LYS 7 HA LYS 7 13.517 4.138 5.715 39 HB2 LYS 7 HB2 LYS 7 14.611 6.244 6.963 40 HB3 LYS 7 HB3 LYS 7 14.696 5.076 8.276 41 HG2 LYS 7 HG2 LYS 7 16.308 3.867 7.276 42 HG3 LYS 7 HG3 LYS 7 15.642 4.117 5.660 43 HD2 LYS 7 HD2 LYS 7 16.833 6.025 5.317 44 HD3 LYS 7 HD3 LYS 7 16.800 6.481 7.022 45 HE2 LYS 7 HE2 LYS 7 19.055 5.936 6.436 46 HE3 LYS 7 HE3 LYS 7 18.431 4.653 7.472 47 HZ1 LYS 7 HZ1 LYS 7 17.818 3.727 5.037 48 HZ2 LYS 7 HZ2 LYS 7 19.233 3.329 5.873 49 HZ3 LYS 7 HZ3 LYS 7 19.258 4.551 4.703 50 H ALA 8 H ALA 8 14.667 2.440 7.241 51 HA ALA 8 HA ALA 8 12.625 0.818 8.313 52 HB1 ALA 8 HB1 ALA 8 14.310 -0.543 7.704 53 HB2 ALA 8 HB2 ALA 8 15.550 0.665 8.043 54 HB3 ALA 8 HB3 ALA 8 14.859 -0.283 9.360 55 H ARG 9 H ARG 9 12.116 0.261 10.428 56 HA ARG 9 HA ARG 9 13.169 2.064 12.507 57 HB2 ARG 9 HB2 ARG 9 10.588 2.049 11.573 58 HB3 ARG 9 HB3 ARG 9 10.480 0.989 12.971 59 HG2 ARG 9 HG2 ARG 9 10.593 2.696 14.386 60 HG3 ARG 9 HG3 ARG 9 11.989 3.387 13.557 61 HD2 ARG 9 HD2 ARG 9 9.177 3.645 12.520 62 HD3 ARG 9 HD3 ARG 9 9.899 4.815 13.624 63 HE ARG 9 HE ARG 9 11.612 4.441 11.430 64 HH11 ARG 9 HH11 ARG 9 8.517 5.828 12.216 65 HH12 ARG 9 HH12 ARG 9 8.586 7.021 10.961 66 HH21 ARG 9 HH21 ARG 9 11.715 6.007 9.774 67 HH22 ARG 9 HH22 ARG 9 10.406 7.121 9.572 68 H LYS 10 H LYS 10 12.336 1.081 14.767 69 HA LYS 10 HA LYS 10 13.431 -1.641 14.826 70 HB2 LYS 10 HB2 LYS 10 13.053 0.302 17.111 71 HB3 LYS 10 HB3 LYS 10 13.900 -1.237 17.179 72 HG2 LYS 10 HG2 LYS 10 15.045 0.323 15.097 73 HG3 LYS 10 HG3 LYS 10 14.934 1.316 16.552 74 HD2 LYS 10 HD2 LYS 10 16.995 0.275 16.796 75 HD3 LYS 10 HD3 LYS 10 15.924 -0.755 17.750 76 HE2 LYS 10 HE2 LYS 10 17.122 -2.301 16.516 77 HE3 LYS 10 HE3 LYS 10 15.666 -2.094 15.544 78 HZ1 LYS 10 HZ1 LYS 10 17.151 -0.246 14.436 79 HZ2 LYS 10 HZ2 LYS 10 17.239 -1.861 13.943 80 HZ3 LYS 10 HZ3 LYS 10 18.405 -1.234 14.995 81 HA PRO 11 HA PRO 11 9.336 -3.153 15.628 82 HB2 PRO 11 HB2 PRO 11 10.055 -5.713 16.175 83 HB3 PRO 11 HB3 PRO 11 10.000 -5.060 14.533 84 HG2 PRO 11 HG2 PRO 11 12.354 -5.438 16.344 85 HG3 PRO 11 HG3 PRO 11 12.210 -5.780 14.610 86 HD2 PRO 11 HD2 PRO 11 13.415 -3.548 15.559 87 HD3 PRO 11 HD3 PRO 11 12.531 -3.575 14.020 88 H ARG 12 H ARG 12 11.949 -4.274 17.791 89 HA ARG 12 HA ARG 12 10.357 -4.867 19.996 90 HB2 ARG 12 HB2 ARG 12 13.195 -3.828 20.050 91 HB3 ARG 12 HB3 ARG 12 12.394 -4.747 21.317 92 HG2 ARG 12 HG2 ARG 12 12.265 -6.686 19.871 93 HG3 ARG 12 HG3 ARG 12 12.988 -5.768 18.548 94 HD2 ARG 12 HD2 ARG 12 14.367 -6.140 21.192 95 HD3 ARG 12 HD3 ARG 12 14.527 -7.302 19.876 96 HE ARG 12 HE ARG 12 15.792 -4.750 20.078 97 HH11 ARG 12 HH11 ARG 12 14.537 -7.100 17.837 98 HH12 ARG 12 HH12 ARG 12 15.568 -6.604 16.537 99 HH21 ARG 12 HH21 ARG 12 17.155 -4.087 18.373 100 HH22 ARG 12 HH22 ARG 12 17.057 -4.890 16.843 101 H GLU 13 H GLU 13 12.037 -1.844 19.178 102 HA GLU 13 HA GLU 13 11.218 -0.427 21.482 103 HB2 GLU 13 HB2 GLU 13 11.928 0.726 18.781 104 HB3 GLU 13 HB3 GLU 13 11.974 1.560 20.327 105 HG2 GLU 13 HG2 GLU 13 13.663 -0.304 20.979 106 HG3 GLU 13 HG3 GLU 13 13.827 -0.505 19.235 107 H ALA 14 H ALA 14 9.586 -1.291 18.594 108 HA ALA 14 HA ALA 14 7.676 0.816 18.533 109 HB1 ALA 14 HB1 ALA 14 8.293 -0.778 16.646 110 HB2 ALA 14 HB2 ALA 14 7.226 -1.942 17.433 111 HB3 ALA 14 HB3 ALA 14 6.582 -0.405 16.854 112 H LEU 15 H LEU 15 7.817 -2.325 20.106 113 HA LEU 15 HA LEU 15 5.094 -2.353 20.946 114 HB2 LEU 15 HB2 LEU 15 6.695 -4.324 20.727 115 HB3 LEU 15 HB3 LEU 15 7.357 -3.813 22.279 116 HG LEU 15 HG LEU 15 5.673 -5.698 22.334 117 HD11 LEU 15 HD11 LEU 15 5.254 -5.145 24.459 118 HD12 LEU 15 HD12 LEU 15 4.465 -3.633 24.012 119 HD13 LEU 15 HD13 LEU 15 6.223 -3.710 24.121 120 HD21 LEU 15 HD21 LEU 15 4.144 -4.681 20.657 121 HD22 LEU 15 HD22 LEU 15 3.705 -3.465 21.857 122 HD23 LEU 15 HD23 LEU 15 3.342 -5.166 22.151 123 H LEU 16 H LEU 16 8.118 -1.270 22.394 124 HA LEU 16 HA LEU 16 7.061 -0.756 24.977 125 HB2 LEU 16 HB2 LEU 16 9.357 0.806 23.906 126 HB3 LEU 16 HB3 LEU 16 9.123 0.103 25.505 127 HG LEU 16 HG LEU 16 9.940 -1.331 22.982 128 HD11 LEU 16 HD11 LEU 16 11.524 0.073 24.593 129 HD12 LEU 16 HD12 LEU 16 12.038 -1.435 23.837 130 HD13 LEU 16 HD13 LEU 16 11.480 -1.433 25.510 131 HD21 LEU 16 HD21 LEU 16 9.044 -3.175 23.833 132 HD22 LEU 16 HD22 LEU 16 8.556 -2.324 25.298 133 HD23 LEU 16 HD23 LEU 16 10.165 -3.039 25.187 134 H TRP 17 H TRP 17 7.568 1.264 22.113 135 HA TRP 17 HA TRP 17 6.635 3.658 23.362 136 HB2 TRP 17 HB2 TRP 17 8.173 3.439 21.309 137 HB3 TRP 17 HB3 TRP 17 6.693 3.174 20.391 138 HD1 TRP 17 HD1 TRP 17 7.872 5.846 22.968 139 HE1 TRP 17 HE1 TRP 17 7.150 8.154 22.084 140 HE3 TRP 17 HE3 TRP 17 5.543 4.376 18.660 141 HZ2 TRP 17 HZ2 TRP 17 5.776 9.211 19.857 142 HZ3 TRP 17 HZ3 TRP 17 4.550 6.097 17.209 143 HH2 TRP 17 HH2 TRP 17 4.665 8.464 17.797 144 H ALA 18 H ALA 18 5.164 1.085 21.502 145 HA ALA 18 HA ALA 18 2.689 2.439 21.038 146 HB1 ALA 18 HB1 ALA 18 3.539 0.570 19.636 147 HB2 ALA 18 HB2 ALA 18 3.212 -0.529 20.977 148 HB3 ALA 18 HB3 ALA 18 1.886 0.339 20.204 149 H LEU 19 H LEU 19 3.536 -0.304 23.162 150 HA LEU 19 HA LEU 19 1.141 -0.502 24.526 151 HB2 LEU 19 HB2 LEU 19 2.278 -1.758 26.148 152 HB3 LEU 19 HB3 LEU 19 3.146 -2.035 24.640 153 HG LEU 19 HG LEU 19 4.718 -0.149 25.512 154 HD11 LEU 19 HD11 LEU 19 4.834 -0.507 28.100 155 HD12 LEU 19 HD12 LEU 19 3.120 -0.880 27.919 156 HD13 LEU 19 HD13 LEU 19 3.739 0.691 27.409 157 HD21 LEU 19 HD21 LEU 19 5.767 -2.161 25.270 158 HD22 LEU 19 HD22 LEU 19 4.584 -3.025 26.252 159 HD23 LEU 19 HD23 LEU 19 5.809 -2.019 27.028 160 H SER 20 H SER 20 3.643 1.874 24.823 161 HA SER 20 HA SER 20 2.614 2.890 27.346 162 HB2 SER 20 HB2 SER 20 4.554 4.116 27.514 163 HB3 SER 20 HB3 SER 20 5.122 2.820 26.462 164 HG SER 20 HG SER 20 5.687 4.884 25.656 165 H ASP 21 H ASP 21 2.193 3.399 23.992 166 HA ASP 21 HA ASP 21 1.409 6.134 24.067 167 HB2 ASP 21 HB2 ASP 21 1.755 4.122 22.085 168 HB3 ASP 21 HB3 ASP 21 0.127 4.772 21.909 169 H LEU 22 H LEU 22 -0.048 3.359 25.239 170 HA LEU 22 HA LEU 22 -2.733 4.557 25.063 171 HB2 LEU 22 HB2 LEU 22 -3.304 2.093 25.864 172 HB3 LEU 22 HB3 LEU 22 -3.118 2.519 24.164 173 HG LEU 22 HG LEU 22 -0.638 1.650 25.464 174 HD11 LEU 22 HD11 LEU 22 -2.618 0.255 26.453 175 HD12 LEU 22 HD12 LEU 22 -1.147 -0.544 25.899 176 HD13 LEU 22 HD13 LEU 22 -2.582 -0.530 24.874 177 HD21 LEU 22 HD21 LEU 22 -2.060 0.707 22.979 178 HD22 LEU 22 HD22 LEU 22 -0.370 0.440 23.404 179 HD23 LEU 22 HD23 LEU 22 -0.941 2.069 23.038 180 H GLU 23 H GLU 23 -4.100 4.408 26.945 181 HA GLU 23 HA GLU 23 -2.750 5.130 29.334 182 HB2 GLU 23 HB2 GLU 23 -5.642 4.515 28.738 183 HB3 GLU 23 HB3 GLU 23 -5.083 5.007 30.330 184 HG2 GLU 23 HG2 GLU 23 -4.752 7.154 29.708 185 HG3 GLU 23 HG3 GLU 23 -4.295 6.724 28.060 186 H GLU 24 H GLU 24 -2.640 4.054 31.322 187 HA GLU 24 HA GLU 24 -2.005 1.342 31.239 188 HB2 GLU 24 HB2 GLU 24 -2.014 1.437 33.699 189 HB3 GLU 24 HB3 GLU 24 -1.176 2.811 32.992 190 HG2 GLU 24 HG2 GLU 24 -3.776 3.699 33.260 191 HG3 GLU 24 HG3 GLU 24 -3.505 2.737 34.711 192 H ASN 25 H ASN 25 -5.043 2.955 31.884 193 HA ASN 25 HA ASN 25 -6.388 0.642 32.889 194 HB2 ASN 25 HB2 ASN 25 -8.303 1.978 33.006 195 HB3 ASN 25 HB3 ASN 25 -6.996 3.140 33.217 196 HD21 ASN 25 HD21 ASN 25 -6.607 4.655 31.652 197 HD22 ASN 25 HD22 ASN 25 -7.669 4.927 30.317 198 H ASP 26 H ASP 26 -5.158 1.171 29.944 199 HA ASP 26 HA ASP 26 -7.375 -0.154 28.529 200 HB2 ASP 26 HB2 ASP 26 -5.087 1.509 27.461 201 HB3 ASP 26 HB3 ASP 26 -6.229 0.634 26.445 202 H PHE 27 H PHE 27 -3.808 -0.060 28.536 203 HA PHE 27 HA PHE 27 -3.428 -2.470 27.169 204 HB2 PHE 27 HB2 PHE 27 -1.275 -1.880 27.342 205 HB3 PHE 27 HB3 PHE 27 -1.794 -0.502 28.308 206 HD1 PHE 27 HD1 PHE 27 -1.676 -0.575 30.744 207 HD2 PHE 27 HD2 PHE 27 -0.259 -3.798 28.351 208 HE1 PHE 27 HE1 PHE 27 -0.449 -1.469 32.680 209 HE2 PHE 27 HE2 PHE 27 0.969 -4.697 30.284 210 HZ PHE 27 HZ PHE 27 0.875 -3.533 32.452 211 H LYS 28 H LYS 28 -3.905 -1.796 30.583 212 HA LYS 28 HA LYS 28 -3.250 -4.388 31.531 213 HB2 LYS 28 HB2 LYS 28 -3.265 -2.460 33.020 214 HB3 LYS 28 HB3 LYS 28 -4.987 -2.231 32.746 215 HG2 LYS 28 HG2 LYS 28 -4.750 -3.274 34.855 216 HG3 LYS 28 HG3 LYS 28 -5.351 -4.504 33.740 217 HD2 LYS 28 HD2 LYS 28 -2.655 -4.807 33.488 218 HD3 LYS 28 HD3 LYS 28 -2.800 -4.344 35.185 219 HE2 LYS 28 HE2 LYS 28 -3.603 -6.347 35.736 220 HE3 LYS 28 HE3 LYS 28 -4.817 -6.277 34.459 221 HZ1 LYS 28 HZ1 LYS 28 -3.568 -8.075 33.828 222 HZ2 LYS 28 HZ2 LYS 28 -2.111 -7.421 34.385 223 HZ3 LYS 28 HZ3 LYS 28 -2.802 -6.847 32.952 224 H LYS 29 H LYS 29 -6.291 -2.846 30.585 225 HA LYS 29 HA LYS 29 -8.072 -4.826 31.369 226 HB2 LYS 29 HB2 LYS 29 -8.112 -2.513 29.651 227 HB3 LYS 29 HB3 LYS 29 -9.022 -3.824 28.912 228 HG2 LYS 29 HG2 LYS 29 -10.488 -2.443 30.235 229 HG3 LYS 29 HG3 LYS 29 -10.347 -4.042 30.969 230 HD2 LYS 29 HD2 LYS 29 -8.975 -3.249 32.699 231 HD3 LYS 29 HD3 LYS 29 -8.611 -1.751 31.839 232 HE2 LYS 29 HE2 LYS 29 -11.349 -2.499 32.854 233 HE3 LYS 29 HE3 LYS 29 -10.206 -1.494 33.745 234 HZ1 LYS 29 HZ1 LYS 29 -10.208 -0.131 31.545 235 HZ2 LYS 29 HZ2 LYS 29 -11.451 0.077 32.672 236 HZ3 LYS 29 HZ3 LYS 29 -11.706 -0.876 31.298 237 H LEU 30 H LEU 30 -6.253 -4.518 28.340 238 HA LEU 30 HA LEU 30 -7.357 -6.856 27.151 239 HB2 LEU 30 HB2 LEU 30 -4.690 -6.104 26.241 240 HB3 LEU 30 HB3 LEU 30 -6.199 -6.245 25.340 241 HG LEU 30 HG LEU 30 -5.320 -3.854 26.959 242 HD11 LEU 30 HD11 LEU 30 -4.099 -3.430 25.137 243 HD12 LEU 30 HD12 LEU 30 -5.640 -3.056 24.365 244 HD13 LEU 30 HD13 LEU 30 -4.928 -4.659 24.180 245 HD21 LEU 30 HD21 LEU 30 -7.875 -4.622 25.688 246 HD22 LEU 30 HD22 LEU 30 -7.334 -2.962 25.435 247 HD23 LEU 30 HD23 LEU 30 -7.562 -3.575 27.073 248 H LYS 31 H LYS 31 -4.168 -6.190 28.599 249 HA LYS 31 HA LYS 31 -3.151 -8.783 28.413 250 HB2 LYS 31 HB2 LYS 31 -2.572 -6.589 30.407 251 HB3 LYS 31 HB3 LYS 31 -1.641 -8.078 30.299 252 HG2 LYS 31 HG2 LYS 31 -1.934 -5.993 28.147 253 HG3 LYS 31 HG3 LYS 31 -0.504 -6.295 29.138 254 HD2 LYS 31 HD2 LYS 31 -0.379 -8.577 28.190 255 HD3 LYS 31 HD3 LYS 31 -1.748 -8.190 27.145 256 HE2 LYS 31 HE2 LYS 31 -0.395 -7.229 25.669 257 HE3 LYS 31 HE3 LYS 31 0.238 -6.146 26.907 258 HZ1 LYS 31 HZ1 LYS 31 1.743 -7.902 25.638 259 HZ2 LYS 31 HZ2 LYS 31 1.240 -8.881 26.922 260 HZ3 LYS 31 HZ3 LYS 31 2.051 -7.430 27.233 261 H PHE 32 H PHE 32 -5.421 -7.390 30.634 262 HA PHE 32 HA PHE 32 -5.179 -9.260 32.734 263 HB2 PHE 32 HB2 PHE 32 -6.337 -7.108 32.997 264 HB3 PHE 32 HB3 PHE 32 -7.592 -7.645 31.885 265 HD1 PHE 32 HD1 PHE 32 -9.188 -9.372 32.551 266 HD2 PHE 32 HD2 PHE 32 -6.276 -7.862 35.264 267 HE1 PHE 32 HE1 PHE 32 -10.447 -10.334 34.434 268 HE2 PHE 32 HE2 PHE 32 -7.530 -8.823 37.150 269 HZ PHE 32 HZ PHE 32 -9.618 -10.061 36.737 270 H TYR 33 H TYR 33 -7.336 -9.132 29.917 271 HA TYR 33 HA TYR 33 -8.325 -11.810 30.541 272 HB2 TYR 33 HB2 TYR 33 -10.074 -10.312 29.968 273 HB3 TYR 33 HB3 TYR 33 -9.194 -9.697 28.573 274 HD1 TYR 33 HD1 TYR 33 -10.802 -12.784 29.898 275 HD2 TYR 33 HD2 TYR 33 -9.580 -10.600 26.457 276 HE1 TYR 33 HE1 TYR 33 -11.955 -14.414 28.462 277 HE2 TYR 33 HE2 TYR 33 -10.731 -12.223 25.011 278 HH TYR 33 HH TYR 33 -11.451 -14.637 25.165 279 H LEU 34 H LEU 34 -6.998 -10.075 27.721 280 HA LEU 34 HA LEU 34 -6.653 -12.230 26.029 281 HB2 LEU 34 HB2 LEU 34 -5.881 -9.526 26.101 282 HB3 LEU 34 HB3 LEU 34 -4.415 -10.452 25.786 283 HG LEU 34 HG LEU 34 -5.876 -11.586 23.937 284 HD11 LEU 34 HD11 LEU 34 -7.430 -9.151 24.672 285 HD12 LEU 34 HD12 LEU 34 -7.998 -10.752 24.198 286 HD13 LEU 34 HD13 LEU 34 -7.351 -9.650 22.982 287 HD21 LEU 34 HD21 LEU 34 -5.217 -9.731 22.371 288 HD22 LEU 34 HD22 LEU 34 -3.917 -10.365 23.381 289 HD23 LEU 34 HD23 LEU 34 -4.680 -8.827 23.787 290 H ARG 35 H ARG 35 -4.150 -10.818 28.147 291 HA ARG 35 HA ARG 35 -2.237 -12.821 27.711 292 HB2 ARG 35 HB2 ARG 35 -2.286 -10.439 29.058 293 HB3 ARG 35 HB3 ARG 35 -2.199 -11.594 30.381 294 HG2 ARG 35 HG2 ARG 35 -0.309 -12.526 28.610 295 HG3 ARG 35 HG3 ARG 35 -0.160 -10.771 28.487 296 HD2 ARG 35 HD2 ARG 35 -0.288 -12.134 31.154 297 HD3 ARG 35 HD3 ARG 35 1.232 -12.015 30.268 298 HE ARG 35 HE ARG 35 1.192 -9.682 30.556 299 HH11 ARG 35 HH11 ARG 35 -1.524 -11.263 32.053 300 HH12 ARG 35 HH12 ARG 35 -1.934 -9.905 33.047 301 HH21 ARG 35 HH21 ARG 35 0.663 -7.887 31.860 302 HH22 ARG 35 HH22 ARG 35 -0.690 -7.984 32.936 303 H ASP 36 H ASP 36 -4.755 -12.500 30.173 304 HA ASP 36 HA ASP 36 -4.120 -14.528 31.898 305 HB2 ASP 36 HB2 ASP 36 -6.001 -13.380 32.566 306 HB3 ASP 36 HB3 ASP 36 -6.705 -13.380 30.951 307 H MET 37 H MET 37 -5.926 -14.833 28.850 308 HA MET 37 HA MET 37 -5.895 -17.732 29.070 309 HB2 MET 37 HB2 MET 37 -7.078 -15.859 27.018 310 HB3 MET 37 HB3 MET 37 -7.160 -17.611 26.895 311 HG2 MET 37 HG2 MET 37 -8.149 -17.303 29.360 312 HG3 MET 37 HG3 MET 37 -8.628 -15.759 28.658 313 HE1 MET 37 HE1 MET 37 -10.784 -16.609 25.714 314 HE2 MET 37 HE2 MET 37 -9.304 -15.761 26.164 315 HE3 MET 37 HE3 MET 37 -9.212 -17.309 25.323 316 H THR 38 H THR 38 -5.056 -15.475 26.436 317 HA THR 38 HA THR 38 -3.620 -17.119 24.822 318 HB THR 38 HB THR 38 -2.428 -15.214 23.976 319 HG1 THR 38 HG1 THR 38 -3.053 -14.077 26.500 320 HG21 THR 38 HG21 THR 38 -4.352 -14.510 23.103 321 HG22 THR 38 HG22 THR 38 -4.630 -13.529 24.542 322 HG23 THR 38 HG23 THR 38 -5.240 -15.182 24.470 323 H LEU 39 H LEU 39 -2.382 -15.430 27.687 324 HA LEU 39 HA LEU 39 0.071 -17.045 27.505 325 HB2 LEU 39 HB2 LEU 39 -0.526 -14.359 28.675 326 HB3 LEU 39 HB3 LEU 39 0.838 -15.300 29.276 327 HG LEU 39 HG LEU 39 1.588 -15.384 26.811 328 HD11 LEU 39 HD11 LEU 39 -0.487 -13.214 26.742 329 HD12 LEU 39 HD12 LEU 39 -0.308 -14.599 25.666 330 HD13 LEU 39 HD13 LEU 39 0.857 -13.276 25.601 331 HD21 LEU 39 HD21 LEU 39 1.707 -13.054 28.674 332 HD22 LEU 39 HD22 LEU 39 2.444 -12.932 27.076 333 HD23 LEU 39 HD23 LEU 39 2.977 -14.182 28.201 334 H SER 40 H SER 40 1.060 -17.353 29.821 335 HA SER 40 HA SER 40 -1.090 -18.353 31.573 336 HB2 SER 40 HB2 SER 40 0.019 -20.260 30.655 337 HB3 SER 40 HB3 SER 40 1.610 -19.555 30.941 338 HG SER 40 HG SER 40 0.922 -21.170 32.502 339 H GLU 41 H GLU 41 -0.971 -16.209 32.569 340 HA GLU 41 HA GLU 41 -0.255 -14.707 34.131 341 HB2 GLU 41 HB2 GLU 41 -0.412 -17.200 35.278 342 HB3 GLU 41 HB3 GLU 41 1.208 -16.684 35.728 343 HG2 GLU 41 HG2 GLU 41 0.176 -15.725 37.459 344 HG3 GLU 41 HG3 GLU 41 -0.212 -14.455 36.301 345 H GLY 42 H GLY 42 1.981 -14.636 35.795 346 HA2 GLY 42 HA2 GLY 42 4.441 -14.904 35.472 347 HA3 GLY 42 HA3 GLY 42 4.163 -14.385 33.816 348 H GLN 43 H GLN 43 2.175 -12.760 36.005 349 HA GLN 43 HA GLN 43 4.086 -10.630 36.536 350 HB2 GLN 43 HB2 GLN 43 1.835 -9.249 35.609 351 HB3 GLN 43 HB3 GLN 43 3.413 -9.346 34.839 352 HG2 GLN 43 HG2 GLN 43 1.752 -9.930 33.234 353 HG3 GLN 43 HG3 GLN 43 2.653 -11.386 33.655 354 HE21 GLN 43 HE21 GLN 43 -0.007 -9.701 35.278 355 HE22 GLN 43 HE22 GLN 43 -1.083 -11.053 35.296 356 HA PRO 44 HA PRO 44 1.756 -9.905 40.181 357 HB2 PRO 44 HB2 PRO 44 1.583 -7.200 40.340 358 HB3 PRO 44 HB3 PRO 44 3.089 -8.084 40.611 359 HG2 PRO 44 HG2 PRO 44 2.149 -6.651 38.157 360 HG3 PRO 44 HG3 PRO 44 3.758 -6.657 38.901 361 HD2 PRO 44 HD2 PRO 44 3.148 -8.168 36.739 362 HD3 PRO 44 HD3 PRO 44 4.321 -8.687 37.966 363 HA PRO 45 HA PRO 45 -2.548 -9.280 39.535 364 HB2 PRO 45 HB2 PRO 45 -3.347 -7.996 41.789 365 HB3 PRO 45 HB3 PRO 45 -2.874 -9.699 41.770 366 HG2 PRO 45 HG2 PRO 45 -1.280 -7.300 42.586 367 HG3 PRO 45 HG3 PRO 45 -1.395 -8.886 43.370 368 HD2 PRO 45 HD2 PRO 45 0.693 -8.189 41.793 369 HD3 PRO 45 HD3 PRO 45 0.098 -9.858 41.908 370 H LEU 46 H LEU 46 -4.302 -7.352 40.180 371 HA LEU 46 HA LEU 46 -4.128 -5.463 38.217 372 HB2 LEU 46 HB2 LEU 46 -5.574 -5.552 40.822 373 HB3 LEU 46 HB3 LEU 46 -5.612 -4.065 39.876 374 HG LEU 46 HG LEU 46 -7.596 -5.402 39.467 375 HD11 LEU 46 HD11 LEU 46 -6.182 -4.145 37.610 376 HD12 LEU 46 HD12 LEU 46 -7.652 -5.038 37.224 377 HD13 LEU 46 HD13 LEU 46 -6.074 -5.777 36.949 378 HD21 LEU 46 HD21 LEU 46 -7.591 -7.602 38.724 379 HD22 LEU 46 HD22 LEU 46 -6.304 -7.589 39.930 380 HD23 LEU 46 HD23 LEU 46 -5.905 -7.531 38.212 381 H ALA 47 H ALA 47 -2.823 -3.808 37.839 382 HA ALA 47 HA ALA 47 -1.993 -2.027 39.946 383 HB1 ALA 47 HB1 ALA 47 0.411 -2.831 38.559 384 HB2 ALA 47 HB2 ALA 47 0.094 -2.713 40.290 385 HB3 ALA 47 HB3 ALA 47 -0.326 -4.185 39.415 386 H ARG 48 H ARG 48 -2.740 -0.261 38.907 387 HA ARG 48 HA ARG 48 -2.485 0.148 36.100 388 HB2 ARG 48 HB2 ARG 48 -3.250 2.481 36.654 389 HB3 ARG 48 HB3 ARG 48 -4.316 1.197 37.209 390 HG2 ARG 48 HG2 ARG 48 -3.574 1.440 39.455 391 HG3 ARG 48 HG3 ARG 48 -2.271 2.526 38.966 392 HD2 ARG 48 HD2 ARG 48 -3.623 4.308 38.937 393 HD3 ARG 48 HD3 ARG 48 -4.903 3.429 38.103 394 HE ARG 48 HE ARG 48 -4.711 3.932 40.906 395 HH11 ARG 48 HH11 ARG 48 -5.881 1.672 38.530 396 HH12 ARG 48 HH12 ARG 48 -7.126 1.039 39.554 397 HH21 ARG 48 HH21 ARG 48 -6.348 3.107 42.264 398 HH22 ARG 48 HH22 ARG 48 -7.392 1.857 41.678 399 H GLY 49 H GLY 49 -0.353 0.557 38.712 400 HA2 GLY 49 HA2 GLY 49 1.168 2.731 37.576 401 HA3 GLY 49 HA3 GLY 49 1.605 1.771 38.982 402 H GLU 50 H GLU 50 0.930 -0.530 36.862 403 HA GLU 50 HA GLU 50 3.603 -1.260 36.409 404 HB2 GLU 50 HB2 GLU 50 1.002 -2.350 35.886 405 HB3 GLU 50 HB3 GLU 50 1.998 -2.518 34.447 406 HG2 GLU 50 HG2 GLU 50 2.171 -4.487 35.835 407 HG3 GLU 50 HG3 GLU 50 3.718 -3.644 35.766 408 H LEU 51 H LEU 51 1.414 0.733 34.606 409 HA LEU 51 HA LEU 51 3.354 0.886 32.397 410 HB2 LEU 51 HB2 LEU 51 1.222 0.173 31.604 411 HB3 LEU 51 HB3 LEU 51 0.400 1.455 32.491 412 HG LEU 51 HG LEU 51 1.370 3.122 30.991 413 HD11 LEU 51 HD11 LEU 51 2.290 1.611 28.835 414 HD12 LEU 51 HD12 LEU 51 3.067 0.915 30.257 415 HD13 LEU 51 HD13 LEU 51 3.244 2.635 29.908 416 HD21 LEU 51 HD21 LEU 51 -0.338 0.908 30.043 417 HD22 LEU 51 HD22 LEU 51 0.322 1.973 28.801 418 HD23 LEU 51 HD23 LEU 51 -0.655 2.642 30.110 419 H GLU 52 H GLU 52 1.265 2.821 34.506 420 HA GLU 52 HA GLU 52 2.262 5.328 33.571 421 HB2 GLU 52 HB2 GLU 52 0.110 5.418 34.507 422 HB3 GLU 52 HB3 GLU 52 0.586 4.479 35.916 423 HG2 GLU 52 HG2 GLU 52 2.055 6.978 35.661 424 HG3 GLU 52 HG3 GLU 52 0.313 7.203 35.808 425 H GLY 53 H GLY 53 2.716 3.548 36.633 426 HA2 GLY 53 HA2 GLY 53 4.742 5.303 37.589 427 HA3 GLY 53 HA3 GLY 53 4.355 3.717 38.239 428 H LEU 54 H LEU 54 4.980 1.925 36.462 429 HA LEU 54 HA LEU 54 7.836 2.050 36.320 430 HB2 LEU 54 HB2 LEU 54 6.097 -0.016 35.008 431 HB3 LEU 54 HB3 LEU 54 7.756 -0.187 35.577 432 HG LEU 54 HG LEU 54 5.265 0.014 37.265 433 HD11 LEU 54 HD11 LEU 54 5.379 -2.175 36.530 434 HD12 LEU 54 HD12 LEU 54 6.271 -2.239 38.050 435 HD13 LEU 54 HD13 LEU 54 7.143 -2.190 36.519 436 HD21 LEU 54 HD21 LEU 54 8.147 0.309 37.933 437 HD22 LEU 54 HD22 LEU 54 7.112 -0.573 39.057 438 HD23 LEU 54 HD23 LEU 54 6.735 1.098 38.636 439 H ILE 55 H ILE 55 8.477 0.763 33.982 440 HA ILE 55 HA ILE 55 7.697 2.719 31.919 441 HB ILE 55 HB ILE 55 9.973 2.302 30.920 442 HG12 ILE 55 HG12 ILE 55 10.368 0.955 33.594 443 HG13 ILE 55 HG13 ILE 55 10.611 0.262 31.994 444 HG21 ILE 55 HG21 ILE 55 10.339 3.468 33.639 445 HG22 ILE 55 HG22 ILE 55 10.900 4.058 32.076 446 HG23 ILE 55 HG23 ILE 55 9.202 4.223 32.522 447 HD11 ILE 55 HD11 ILE 55 12.309 2.238 33.461 448 HD12 ILE 55 HD12 ILE 55 12.758 0.680 32.767 449 HD13 ILE 55 HD13 ILE 55 12.419 2.051 31.711 450 HA PRO 56 HA PRO 56 6.561 -0.560 29.234 451 HB2 PRO 56 HB2 PRO 56 7.443 0.327 26.825 452 HB3 PRO 56 HB3 PRO 56 6.054 1.033 27.658 453 HG2 PRO 56 HG2 PRO 56 8.884 2.002 27.537 454 HG3 PRO 56 HG3 PRO 56 7.377 2.928 27.399 455 HD2 PRO 56 HD2 PRO 56 8.821 2.829 29.688 456 HD3 PRO 56 HD3 PRO 56 7.052 2.980 29.680 457 H VAL 57 H VAL 57 9.893 0.573 28.730 458 HA VAL 57 HA VAL 57 10.831 -1.732 27.411 459 HB VAL 57 HB VAL 57 12.408 0.213 29.102 460 HG11 VAL 57 HG11 VAL 57 13.193 -1.946 27.182 461 HG12 VAL 57 HG12 VAL 57 14.232 -0.543 27.435 462 HG13 VAL 57 HG13 VAL 57 13.828 -1.598 28.789 463 HG21 VAL 57 HG21 VAL 57 12.679 0.519 26.250 464 HG22 VAL 57 HG22 VAL 57 10.992 0.679 26.739 465 HG23 VAL 57 HG23 VAL 57 12.222 1.711 27.467 466 H ASP 58 H ASP 58 10.056 -1.155 30.688 467 HA ASP 58 HA ASP 58 11.730 -3.329 31.675 468 HB2 ASP 58 HB2 ASP 58 11.487 -1.242 33.002 469 HB3 ASP 58 HB3 ASP 58 9.768 -1.583 33.176 470 H LEU 59 H LEU 59 8.274 -2.485 31.554 471 HA LEU 59 HA LEU 59 7.400 -5.022 32.501 472 HB2 LEU 59 HB2 LEU 59 5.484 -3.930 32.698 473 HB3 LEU 59 HB3 LEU 59 6.244 -2.527 31.950 474 HG LEU 59 HG LEU 59 4.938 -4.688 30.319 475 HD11 LEU 59 HD11 LEU 59 3.286 -3.828 31.909 476 HD12 LEU 59 HD12 LEU 59 2.927 -3.328 30.257 477 HD13 LEU 59 HD13 LEU 59 3.646 -2.182 31.388 478 HD21 LEU 59 HD21 LEU 59 6.482 -2.452 29.682 479 HD22 LEU 59 HD22 LEU 59 4.819 -1.986 29.326 480 HD23 LEU 59 HD23 LEU 59 5.510 -3.428 28.581 481 H ALA 60 H ALA 60 7.976 -3.649 29.326 482 HA ALA 60 HA ALA 60 6.711 -5.715 27.839 483 HB1 ALA 60 HB1 ALA 60 8.929 -3.909 26.894 484 HB2 ALA 60 HB2 ALA 60 7.722 -4.739 25.911 485 HB3 ALA 60 HB3 ALA 60 7.235 -3.425 26.981 486 H GLU 61 H GLU 61 10.107 -5.082 28.691 487 HA GLU 61 HA GLU 61 11.264 -7.242 27.379 488 HB2 GLU 61 HB2 GLU 61 13.176 -6.896 28.730 489 HB3 GLU 61 HB3 GLU 61 12.435 -5.313 28.538 490 HG2 GLU 61 HG2 GLU 61 11.598 -5.321 30.733 491 HG3 GLU 61 HG3 GLU 61 11.907 -7.045 30.929 492 H LEU 62 H LEU 62 9.606 -7.088 30.464 493 HA LEU 62 HA LEU 62 10.360 -9.720 31.302 494 HB2 LEU 62 HB2 LEU 62 9.807 -8.152 32.993 495 HB3 LEU 62 HB3 LEU 62 8.262 -7.777 32.233 496 HG LEU 62 HG LEU 62 8.698 -10.563 33.171 497 HD11 LEU 62 HD11 LEU 62 8.912 -10.105 35.331 498 HD12 LEU 62 HD12 LEU 62 7.578 -8.952 35.275 499 HD13 LEU 62 HD13 LEU 62 9.216 -8.424 34.890 500 HD21 LEU 62 HD21 LEU 62 6.546 -8.906 32.300 501 HD22 LEU 62 HD22 LEU 62 6.230 -9.435 33.953 502 HD23 LEU 62 HD23 LEU 62 6.535 -10.626 32.688 503 H LEU 63 H LEU 63 7.555 -8.296 29.700 504 HA LEU 63 HA LEU 63 5.916 -10.589 29.754 505 HB2 LEU 63 HB2 LEU 63 5.668 -7.981 28.896 506 HB3 LEU 63 HB3 LEU 63 5.578 -8.909 27.400 507 HG LEU 63 HG LEU 63 3.355 -8.526 28.178 508 HD11 LEU 63 HD11 LEU 63 4.025 -11.356 28.943 509 HD12 LEU 63 HD12 LEU 63 3.968 -10.790 27.274 510 HD13 LEU 63 HD13 LEU 63 2.515 -10.740 28.272 511 HD21 LEU 63 HD21 LEU 63 3.520 -10.024 30.675 512 HD22 LEU 63 HD22 LEU 63 2.719 -8.493 30.320 513 HD23 LEU 63 HD23 LEU 63 4.443 -8.520 30.696 514 H ILE 64 H ILE 64 8.099 -9.325 27.248 515 HA ILE 64 HA ILE 64 7.658 -11.312 25.335 516 HB ILE 64 HB ILE 64 9.829 -10.685 24.382 517 HG12 ILE 64 HG12 ILE 64 10.146 -8.998 26.875 518 HG13 ILE 64 HG13 ILE 64 11.062 -10.456 26.511 519 HG21 ILE 64 HG21 ILE 64 8.395 -8.226 25.359 520 HG22 ILE 64 HG22 ILE 64 9.298 -8.426 23.859 521 HG23 ILE 64 HG23 ILE 64 7.773 -9.280 24.090 522 HD11 ILE 64 HD11 ILE 64 12.313 -8.397 26.049 523 HD12 ILE 64 HD12 ILE 64 12.078 -9.383 24.606 524 HD13 ILE 64 HD13 ILE 64 11.094 -7.942 24.860 525 H SER 65 H SER 65 9.730 -11.258 28.163 526 HA SER 65 HA SER 65 11.111 -13.685 27.465 527 HB2 SER 65 HB2 SER 65 12.497 -12.484 28.829 528 HB3 SER 65 HB3 SER 65 11.161 -11.755 29.720 529 HG SER 65 HG SER 65 12.465 -13.329 30.902 530 H LYS 66 H LYS 66 8.258 -12.806 29.235 531 HA LYS 66 HA LYS 66 7.909 -15.016 30.880 532 HB2 LYS 66 HB2 LYS 66 6.372 -13.314 31.242 533 HB3 LYS 66 HB3 LYS 66 6.026 -13.121 29.528 534 HG2 LYS 66 HG2 LYS 66 4.152 -14.093 30.798 535 HG3 LYS 66 HG3 LYS 66 4.733 -15.146 29.506 536 HD2 LYS 66 HD2 LYS 66 6.224 -15.802 31.801 537 HD3 LYS 66 HD3 LYS 66 4.543 -15.663 32.321 538 HE2 LYS 66 HE2 LYS 66 5.203 -17.183 29.836 539 HE3 LYS 66 HE3 LYS 66 5.464 -17.934 31.410 540 HZ1 LYS 66 HZ1 LYS 66 2.983 -17.303 30.049 541 HZ2 LYS 66 HZ2 LYS 66 2.997 -16.978 31.709 542 HZ3 LYS 66 HZ3 LYS 66 3.331 -18.540 31.150 543 H TYR 67 H TYR 67 6.329 -14.558 27.712 544 HA TYR 67 HA TYR 67 6.334 -17.488 27.404 545 HB2 TYR 67 HB2 TYR 67 4.159 -15.820 27.408 546 HB3 TYR 67 HB3 TYR 67 4.499 -15.966 25.688 547 HD1 TYR 67 HD1 TYR 67 5.364 -18.691 25.345 548 HD2 TYR 67 HD2 TYR 67 2.338 -17.152 27.910 549 HE1 TYR 67 HE1 TYR 67 4.227 -20.872 25.302 550 HE2 TYR 67 HE2 TYR 67 1.194 -19.329 27.875 551 HH TYR 67 HH TYR 67 2.337 -22.000 27.277 552 H GLY 68 H GLY 68 6.798 -14.404 25.742 553 HA2 GLY 68 HA2 GLY 68 8.953 -15.067 24.219 554 HA3 GLY 68 HA3 GLY 68 7.594 -15.646 23.268 555 H GLU 69 H GLU 69 9.572 -13.474 22.785 556 HA GLU 69 HA GLU 69 8.289 -10.967 23.050 557 HB2 GLU 69 HB2 GLU 69 9.974 -10.134 21.518 558 HB3 GLU 69 HB3 GLU 69 10.716 -11.226 22.679 559 HG2 GLU 69 HG2 GLU 69 10.925 -12.945 21.079 560 HG3 GLU 69 HG3 GLU 69 9.863 -12.116 19.943 561 H LYS 70 H LYS 70 7.955 -13.557 20.793 562 HA LYS 70 HA LYS 70 6.893 -12.122 18.604 563 HB2 LYS 70 HB2 LYS 70 7.247 -14.895 19.372 564 HB3 LYS 70 HB3 LYS 70 5.696 -14.650 18.578 565 HG2 LYS 70 HG2 LYS 70 7.358 -15.261 16.950 566 HG3 LYS 70 HG3 LYS 70 6.858 -13.589 16.685 567 HD2 LYS 70 HD2 LYS 70 9.041 -13.552 18.489 568 HD3 LYS 70 HD3 LYS 70 9.475 -14.621 17.153 569 HE2 LYS 70 HE2 LYS 70 8.219 -11.986 16.550 570 HE3 LYS 70 HE3 LYS 70 9.918 -12.033 17.020 571 HZ1 LYS 70 HZ1 LYS 70 9.208 -13.980 15.021 572 HZ2 LYS 70 HZ2 LYS 70 10.506 -12.896 15.062 573 HZ3 LYS 70 HZ3 LYS 70 8.992 -12.382 14.510 574 H GLU 71 H GLU 71 4.946 -14.453 20.417 575 HA GLU 71 HA GLU 71 2.492 -13.330 19.861 576 HB2 GLU 71 HB2 GLU 71 2.972 -15.581 20.926 577 HB3 GLU 71 HB3 GLU 71 3.132 -14.729 22.456 578 HG2 GLU 71 HG2 GLU 71 0.925 -14.504 22.705 579 HG3 GLU 71 HG3 GLU 71 0.673 -14.112 21.005 580 H ALA 72 H ALA 72 4.841 -12.374 22.235 581 HA ALA 72 HA ALA 72 3.373 -10.959 24.071 582 HB1 ALA 72 HB1 ALA 72 5.526 -10.835 24.697 583 HB2 ALA 72 HB2 ALA 72 6.115 -10.805 23.034 584 HB3 ALA 72 HB3 ALA 72 5.517 -9.325 23.784 585 H VAL 73 H VAL 73 4.899 -9.456 21.213 586 HA VAL 73 HA VAL 73 3.599 -7.005 21.396 587 HB VAL 73 HB VAL 73 4.811 -8.473 19.075 588 HG11 VAL 73 HG11 VAL 73 3.098 -6.051 19.016 589 HG12 VAL 73 HG12 VAL 73 4.547 -6.056 18.008 590 HG13 VAL 73 HG13 VAL 73 3.323 -7.310 17.802 591 HG21 VAL 73 HG21 VAL 73 6.633 -7.142 19.403 592 HG22 VAL 73 HG22 VAL 73 5.677 -5.791 20.011 593 HG23 VAL 73 HG23 VAL 73 6.012 -7.173 21.053 594 H LYS 74 H LYS 74 2.634 -9.958 19.706 595 HA LYS 74 HA LYS 74 0.391 -8.926 18.376 596 HB2 LYS 74 HB2 LYS 74 1.262 -11.656 19.226 597 HB3 LYS 74 HB3 LYS 74 -0.383 -11.436 18.645 598 HG2 LYS 74 HG2 LYS 74 0.266 -11.136 16.511 599 HG3 LYS 74 HG3 LYS 74 1.729 -10.259 16.965 600 HD2 LYS 74 HD2 LYS 74 2.664 -12.186 16.164 601 HD3 LYS 74 HD3 LYS 74 2.454 -12.638 17.857 602 HE2 LYS 74 HE2 LYS 74 0.184 -13.567 17.141 603 HE3 LYS 74 HE3 LYS 74 0.775 -13.410 15.488 604 HZ1 LYS 74 HZ1 LYS 74 2.143 -14.962 17.617 605 HZ2 LYS 74 HZ2 LYS 74 2.575 -14.890 15.984 606 HZ3 LYS 74 HZ3 LYS 74 1.128 -15.636 16.443 607 H VAL 75 H VAL 75 0.780 -10.247 21.623 608 HA VAL 75 HA VAL 75 -1.932 -10.402 22.324 609 HB VAL 75 HB VAL 75 0.506 -9.951 24.044 610 HG11 VAL 75 HG11 VAL 75 -2.378 -10.295 24.779 611 HG12 VAL 75 HG12 VAL 75 -1.095 -10.833 25.864 612 HG13 VAL 75 HG13 VAL 75 -1.202 -9.136 25.397 613 HG21 VAL 75 HG21 VAL 75 -0.416 -12.200 22.672 614 HG22 VAL 75 HG22 VAL 75 0.815 -12.152 23.934 615 HG23 VAL 75 HG23 VAL 75 -0.868 -12.465 24.356 616 H VAL 76 H VAL 76 0.196 -7.703 22.004 617 HA VAL 76 HA VAL 76 -1.360 -5.910 23.634 618 HB VAL 76 HB VAL 76 1.095 -5.708 21.999 619 HG11 VAL 76 HG11 VAL 76 -0.038 -3.968 20.889 620 HG12 VAL 76 HG12 VAL 76 -0.795 -3.401 22.378 621 HG13 VAL 76 HG13 VAL 76 0.936 -3.175 22.127 622 HG21 VAL 76 HG21 VAL 76 1.578 -4.128 24.016 623 HG22 VAL 76 HG22 VAL 76 0.142 -4.883 24.708 624 HG23 VAL 76 HG23 VAL 76 1.530 -5.874 24.260 625 H LEU 77 H LEU 77 -0.772 -6.264 20.138 626 HA LEU 77 HA LEU 77 -2.664 -4.278 19.393 627 HB2 LEU 77 HB2 LEU 77 -2.424 -5.296 17.117 628 HB3 LEU 77 HB3 LEU 77 -0.924 -4.756 17.867 629 HG LEU 77 HG LEU 77 -1.012 -7.398 18.585 630 HD11 LEU 77 HD11 LEU 77 -2.229 -8.619 17.193 631 HD12 LEU 77 HD12 LEU 77 -1.443 -7.879 15.798 632 HD13 LEU 77 HD13 LEU 77 -2.878 -7.132 16.500 633 HD21 LEU 77 HD21 LEU 77 0.484 -7.506 16.353 634 HD22 LEU 77 HD22 LEU 77 1.034 -6.779 17.863 635 HD23 LEU 77 HD23 LEU 77 0.391 -5.759 16.575 636 H LYS 78 H LYS 78 -2.754 -7.837 19.279 637 HA LYS 78 HA LYS 78 -5.258 -8.245 18.252 638 HB2 LYS 78 HB2 LYS 78 -3.439 -9.921 19.118 639 HB3 LYS 78 HB3 LYS 78 -4.377 -9.876 20.606 640 HG2 LYS 78 HG2 LYS 78 -5.728 -10.423 17.999 641 HG3 LYS 78 HG3 LYS 78 -4.858 -11.707 18.842 642 HD2 LYS 78 HD2 LYS 78 -6.971 -10.018 20.165 643 HD3 LYS 78 HD3 LYS 78 -7.335 -11.531 19.331 644 HE2 LYS 78 HE2 LYS 78 -5.176 -11.521 21.379 645 HE3 LYS 78 HE3 LYS 78 -6.850 -11.458 21.928 646 HZ1 LYS 78 HZ1 LYS 78 -5.861 -13.504 20.026 647 HZ2 LYS 78 HZ2 LYS 78 -7.320 -13.502 20.882 648 HZ3 LYS 78 HZ3 LYS 78 -5.859 -13.735 21.702 649 H GLY 79 H GLY 79 -4.428 -7.597 21.646 650 HA2 GLY 79 HA2 GLY 79 -7.200 -7.619 22.458 651 HA3 GLY 79 HA3 GLY 79 -5.817 -7.223 23.468 652 H LEU 80 H LEU 80 -4.939 -5.257 21.334 653 HA LEU 80 HA LEU 80 -6.246 -2.981 22.468 654 HB2 LEU 80 HB2 LEU 80 -4.045 -3.475 20.559 655 HB3 LEU 80 HB3 LEU 80 -4.882 -1.931 20.407 656 HG LEU 80 HG LEU 80 -3.504 -2.949 22.892 657 HD11 LEU 80 HD11 LEU 80 -1.775 -1.411 22.440 658 HD12 LEU 80 HD12 LEU 80 -2.684 -0.654 21.132 659 HD13 LEU 80 HD13 LEU 80 -2.048 -2.287 20.933 660 HD21 LEU 80 HD21 LEU 80 -5.511 -0.970 22.539 661 HD22 LEU 80 HD22 LEU 80 -3.994 -0.155 22.920 662 HD23 LEU 80 HD23 LEU 80 -4.627 -1.394 24.005 663 H LYS 81 H LYS 81 -6.586 -4.841 19.542 664 HA LYS 81 HA LYS 81 -7.922 -3.066 17.890 665 HB2 LYS 81 HB2 LYS 81 -7.991 -6.036 18.221 666 HB3 LYS 81 HB3 LYS 81 -9.169 -5.274 17.161 667 HG2 LYS 81 HG2 LYS 81 -6.243 -4.712 16.873 668 HG3 LYS 81 HG3 LYS 81 -6.980 -6.141 16.144 669 HD2 LYS 81 HD2 LYS 81 -8.659 -3.985 15.499 670 HD3 LYS 81 HD3 LYS 81 -7.010 -3.412 15.240 671 HE2 LYS 81 HE2 LYS 81 -6.921 -5.910 14.141 672 HE3 LYS 81 HE3 LYS 81 -8.570 -5.408 13.768 673 HZ1 LYS 81 HZ1 LYS 81 -7.859 -3.753 12.409 674 HZ2 LYS 81 HZ2 LYS 81 -6.555 -4.811 12.207 675 HZ3 LYS 81 HZ3 LYS 81 -6.420 -3.493 13.260 676 H VAL 82 H VAL 82 -9.438 -5.431 20.093 677 HA VAL 82 HA VAL 82 -12.062 -4.533 19.784 678 HB VAL 82 HB VAL 82 -10.985 -6.608 21.093 679 HG11 VAL 82 HG11 VAL 82 -10.171 -5.095 22.906 680 HG12 VAL 82 HG12 VAL 82 -11.857 -4.777 23.321 681 HG13 VAL 82 HG13 VAL 82 -11.205 -6.410 23.464 682 HG21 VAL 82 HG21 VAL 82 -13.648 -5.312 21.171 683 HG22 VAL 82 HG22 VAL 82 -13.181 -6.908 20.585 684 HG23 VAL 82 HG23 VAL 82 -13.352 -6.619 22.316 685 H MET 83 H MET 83 -9.478 -2.905 21.124 686 HA MET 83 HA MET 83 -11.128 -1.365 22.990 687 HB2 MET 83 HB2 MET 83 -8.882 -2.216 23.705 688 HB3 MET 83 HB3 MET 83 -8.153 -1.159 22.504 689 HG2 MET 83 HG2 MET 83 -8.032 -0.129 24.669 690 HG3 MET 83 HG3 MET 83 -9.137 0.781 23.643 691 HE1 MET 83 HE1 MET 83 -9.851 0.581 27.580 692 HE2 MET 83 HE2 MET 83 -9.216 -1.055 27.412 693 HE3 MET 83 HE3 MET 83 -8.361 0.303 26.678 694 H ASN 84 H ASN 84 -9.988 -1.264 19.812 695 HA ASN 84 HA ASN 84 -10.300 0.288 18.165 696 HB2 ASN 84 HB2 ASN 84 -12.111 1.103 20.119 697 HB3 ASN 84 HB3 ASN 84 -11.179 2.554 19.762 698 HD21 ASN 84 HD21 ASN 84 -12.861 3.594 18.753 699 HD22 ASN 84 HD22 ASN 84 -13.473 3.111 17.211 700 H LEU 85 H LEU 85 -7.879 0.013 19.729 701 HA LEU 85 HA LEU 85 -6.812 2.723 19.887 702 HB2 LEU 85 HB2 LEU 85 -6.164 0.143 21.044 703 HB3 LEU 85 HB3 LEU 85 -4.741 0.948 20.386 704 HG LEU 85 HG LEU 85 -4.781 1.588 22.627 705 HD11 LEU 85 HD11 LEU 85 -4.747 3.465 20.839 706 HD12 LEU 85 HD12 LEU 85 -4.913 3.891 22.541 707 HD13 LEU 85 HD13 LEU 85 -6.332 3.877 21.494 708 HD21 LEU 85 HD21 LEU 85 -6.604 1.412 23.877 709 HD22 LEU 85 HD22 LEU 85 -7.552 1.086 22.426 710 HD23 LEU 85 HD23 LEU 85 -7.362 2.743 23.002 711 H LEU 86 H LEU 86 -7.541 1.507 17.312 712 HA LEU 86 HA LEU 86 -5.274 0.648 15.893 713 HB2 LEU 86 HB2 LEU 86 -6.535 1.000 13.922 714 HB3 LEU 86 HB3 LEU 86 -7.658 0.449 15.164 715 HG LEU 86 HG LEU 86 -7.761 3.232 15.294 716 HD11 LEU 86 HD11 LEU 86 -6.846 3.799 13.285 717 HD12 LEU 86 HD12 LEU 86 -8.510 3.516 12.778 718 HD13 LEU 86 HD13 LEU 86 -7.287 2.271 12.523 719 HD21 LEU 86 HD21 LEU 86 -10.026 2.924 14.467 720 HD22 LEU 86 HD22 LEU 86 -9.608 1.649 15.611 721 HD23 LEU 86 HD23 LEU 86 -9.611 1.314 13.878 722 H GLU 87 H GLU 87 -5.987 3.662 17.203 723 HA GLU 87 HA GLU 87 -5.058 5.508 15.376 724 HB2 GLU 87 HB2 GLU 87 -6.037 6.105 17.551 725 HB3 GLU 87 HB3 GLU 87 -4.599 5.507 18.365 726 HG2 GLU 87 HG2 GLU 87 -4.379 7.842 18.293 727 HG3 GLU 87 HG3 GLU 87 -3.290 7.216 17.056 728 H LEU 88 H LEU 88 -3.010 4.478 18.092 729 HA LEU 88 HA LEU 88 -0.627 5.061 16.597 730 HB2 LEU 88 HB2 LEU 88 -0.739 3.603 19.218 731 HB3 LEU 88 HB3 LEU 88 0.560 4.605 18.575 732 HG LEU 88 HG LEU 88 -0.334 5.945 20.228 733 HD11 LEU 88 HD11 LEU 88 -1.485 6.582 17.558 734 HD12 LEU 88 HD12 LEU 88 -0.264 7.441 18.497 735 HD13 LEU 88 HD13 LEU 88 -1.965 7.555 18.949 736 HD21 LEU 88 HD21 LEU 88 -2.292 5.520 21.180 737 HD22 LEU 88 HD22 LEU 88 -2.597 4.304 19.939 738 HD23 LEU 88 HD23 LEU 88 -3.150 5.963 19.705 739 H VAL 89 H VAL 89 -2.462 2.214 17.435 740 HA VAL 89 HA VAL 89 -0.562 0.225 16.984 741 HB VAL 89 HB VAL 89 -3.538 0.316 16.825 742 HG11 VAL 89 HG11 VAL 89 -3.137 -1.047 14.937 743 HG12 VAL 89 HG12 VAL 89 -1.818 -1.901 15.741 744 HG13 VAL 89 HG13 VAL 89 -3.483 -2.151 16.268 745 HG21 VAL 89 HG21 VAL 89 -1.637 -1.469 18.339 746 HG22 VAL 89 HG22 VAL 89 -2.334 0.025 18.967 747 HG23 VAL 89 HG23 VAL 89 -3.380 -1.341 18.575 748 H ASP 90 H ASP 90 -2.252 2.267 14.757 749 HA ASP 90 HA ASP 90 -2.330 0.917 12.407 750 HB2 ASP 90 HB2 ASP 90 -2.642 3.505 13.052 751 HB3 ASP 90 HB3 ASP 90 -1.083 3.606 12.238 752 H GLN 91 H GLN 91 0.550 2.636 13.618 753 HA GLN 91 HA GLN 91 2.221 1.524 11.561 754 HB2 GLN 91 HB2 GLN 91 3.084 2.963 14.071 755 HB3 GLN 91 HB3 GLN 91 4.017 2.746 12.596 756 HG2 GLN 91 HG2 GLN 91 3.284 4.726 11.942 757 HG3 GLN 91 HG3 GLN 91 1.685 4.004 11.769 758 HE21 GLN 91 HE21 GLN 91 3.595 6.245 13.442 759 HE22 GLN 91 HE22 GLN 91 2.424 6.736 14.613 760 H LEU 92 H LEU 92 2.303 1.275 15.121 761 HA LEU 92 HA LEU 92 4.174 -0.557 15.593 762 HB2 LEU 92 HB2 LEU 92 2.842 0.225 17.392 763 HB3 LEU 92 HB3 LEU 92 1.383 -0.490 16.710 764 HG LEU 92 HG LEU 92 2.423 -1.619 18.751 765 HD11 LEU 92 HD11 LEU 92 2.270 -3.721 16.733 766 HD12 LEU 92 HD12 LEU 92 0.934 -2.572 16.662 767 HD13 LEU 92 HD13 LEU 92 1.272 -3.439 18.160 768 HD21 LEU 92 HD21 LEU 92 4.743 -1.473 17.506 769 HD22 LEU 92 HD22 LEU 92 4.221 -3.019 16.838 770 HD23 LEU 92 HD23 LEU 92 4.363 -2.816 18.584 771 H SER 93 H SER 93 0.905 -1.419 14.481 772 HA SER 93 HA SER 93 1.342 -4.190 14.324 773 HB2 SER 93 HB2 SER 93 -0.832 -2.590 14.016 774 HB3 SER 93 HB3 SER 93 -0.514 -3.027 12.338 775 HG SER 93 HG SER 93 -1.895 -4.461 13.780 776 H HIS 94 H HIS 94 1.520 -1.678 11.810 777 HA HIS 94 HA HIS 94 2.376 -3.461 9.767 778 HB2 HIS 94 HB2 HIS 94 1.331 -1.029 9.657 779 HB3 HIS 94 HB3 HIS 94 3.025 -0.549 9.640 780 HD1 HIS 94 HD1 HIS 94 1.099 -3.276 7.794 781 HD2 HIS 94 HD2 HIS 94 3.740 -0.150 7.075 782 HE1 HIS 94 HE1 HIS 94 1.534 -3.319 5.318 783 H ILE 95 H ILE 95 3.931 -2.524 12.487 784 HA ILE 95 HA ILE 95 6.585 -2.566 11.209 785 HB ILE 95 HB ILE 95 5.833 -1.527 13.944 786 HG12 ILE 95 HG12 ILE 95 6.871 0.084 11.622 787 HG13 ILE 95 HG13 ILE 95 5.148 -0.203 11.840 788 HG21 ILE 95 HG21 ILE 95 8.011 -2.232 14.221 789 HG22 ILE 95 HG22 ILE 95 8.445 -1.895 12.546 790 HG23 ILE 95 HG23 ILE 95 8.240 -0.567 13.688 791 HD11 ILE 95 HD11 ILE 95 6.004 1.966 12.739 792 HD12 ILE 95 HD12 ILE 95 5.135 0.964 13.902 793 HD13 ILE 95 HD13 ILE 95 6.897 1.038 13.944 794 H CYS 96 H CYS 96 4.425 -4.307 13.170 795 HA CYS 96 HA CYS 96 6.593 -6.071 14.098 796 HB2 CYS 96 HB2 CYS 96 5.272 -6.687 15.962 797 HB3 CYS 96 HB3 CYS 96 5.108 -4.939 15.835 798 HG CYS 96 HG CYS 96 2.607 -5.652 16.500 799 H LEU 97 H LEU 97 4.799 -5.899 11.555 800 HA LEU 97 HA LEU 97 4.027 -7.395 10.024 801 HB2 LEU 97 HB2 LEU 97 4.841 -9.615 11.871 802 HB3 LEU 97 HB3 LEU 97 4.728 -9.637 10.112 803 HG LEU 97 HG LEU 97 6.782 -8.039 11.633 804 HD11 LEU 97 HD11 LEU 97 7.969 -9.880 11.959 805 HD12 LEU 97 HD12 LEU 97 7.898 -10.254 10.237 806 HD13 LEU 97 HD13 LEU 97 6.638 -10.845 11.320 807 HD21 LEU 97 HD21 LEU 97 7.110 -8.953 8.828 808 HD22 LEU 97 HD22 LEU 97 7.686 -7.485 9.618 809 HD23 LEU 97 HD23 LEU 97 5.995 -7.621 9.134 810 H HIS 98 H HIS 98 1.930 -6.530 10.752 811 HA HIS 98 HA HIS 98 0.308 -7.787 12.657 812 HB2 HIS 98 HB2 HIS 98 -0.130 -5.556 11.610 813 HB3 HIS 98 HB3 HIS 98 -0.624 -6.393 10.141 814 HD1 HIS 98 HD1 HIS 98 -3.051 -5.633 10.224 815 HD2 HIS 98 HD2 HIS 98 -1.829 -7.616 13.664 816 HE1 HIS 98 HE1 HIS 98 -5.154 -6.073 11.530 817 H ASP 99 H ASP 99 1.172 -8.705 9.444 818 HA ASP 99 HA ASP 99 -0.959 -10.317 8.695 819 HB2 ASP 99 HB2 ASP 99 0.491 -11.316 7.128 820 HB3 ASP 99 HB3 ASP 99 1.137 -9.694 7.358 821 H TYR 100 H TYR 100 1.373 -10.781 11.178 822 HA TYR 100 HA TYR 100 1.215 -13.615 11.365 823 HB2 TYR 100 HB2 TYR 100 2.279 -11.415 13.069 824 HB3 TYR 100 HB3 TYR 100 1.984 -12.974 13.833 825 HD1 TYR 100 HD2 TYR 100 3.222 -12.218 10.401 826 HD2 TYR 100 HD1 TYR 100 4.102 -13.861 14.225 827 HE1 TYR 100 HE2 TYR 100 5.377 -13.039 9.546 828 HE2 TYR 100 HE1 TYR 100 6.260 -14.685 13.381 829 HH TYR 100 HH TYR 100 7.140 -14.377 9.977 830 H ARG 101 H ARG 101 -0.747 -10.998 12.518 831 HA ARG 101 HA ARG 101 -2.408 -12.921 14.013 832 HB2 ARG 101 HB2 ARG 101 -1.265 -10.968 15.264 833 HB3 ARG 101 HB3 ARG 101 -2.460 -9.950 14.471 834 HG2 ARG 101 HG2 ARG 101 -3.574 -10.367 16.397 835 HG3 ARG 101 HG3 ARG 101 -4.114 -11.766 15.467 836 HD2 ARG 101 HD2 ARG 101 -1.657 -11.876 17.186 837 HD3 ARG 101 HD3 ARG 101 -3.263 -12.153 17.859 838 HE ARG 101 HE ARG 101 -1.754 -13.933 16.178 839 HH11 ARG 101 HH11 ARG 101 -4.932 -13.035 17.282 840 HH12 ARG 101 HH12 ARG 101 -5.625 -14.591 16.961 841 HH21 ARG 101 HH21 ARG 101 -2.655 -15.984 15.752 842 HH22 ARG 101 HH22 ARG 101 -4.328 -16.268 16.092 843 H GLU 102 H GLU 102 -4.648 -12.830 13.762 844 HA GLU 102 HA GLU 102 -5.531 -11.947 11.180 845 HB2 GLU 102 HB2 GLU 102 -6.966 -13.249 13.494 846 HB3 GLU 102 HB3 GLU 102 -7.762 -12.829 11.984 847 HG2 GLU 102 HG2 GLU 102 -5.558 -14.822 12.416 848 HG3 GLU 102 HG3 GLU 102 -7.206 -15.123 11.867 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.051 14.708 27.511 2 HA2 GLY 1 HA2 GLY 1 -1.003 12.668 27.411 3 HA3 GLY 1 HA3 GLY 1 -1.495 14.230 26.773 4 H ALA 2 H ALA 2 -1.022 11.525 25.523 5 HA ALA 2 HA ALA 2 1.134 12.149 23.648 6 HB1 ALA 2 HB1 ALA 2 1.438 9.959 24.141 7 HB2 ALA 2 HB2 ALA 2 -0.271 9.682 24.479 8 HB3 ALA 2 HB3 ALA 2 0.297 9.756 22.811 9 H MET 3 H MET 3 0.822 12.235 21.406 10 HA MET 3 HA MET 3 -1.969 12.483 20.511 11 HB2 MET 3 HB2 MET 3 0.246 14.446 20.316 12 HB3 MET 3 HB3 MET 3 -0.780 14.274 18.898 13 HG2 MET 3 HG2 MET 3 -2.598 15.160 19.929 14 HG3 MET 3 HG3 MET 3 -2.115 14.583 21.522 15 HE1 MET 3 HE1 MET 3 -2.388 18.629 20.497 16 HE2 MET 3 HE2 MET 3 -3.348 17.160 20.328 17 HE3 MET 3 HE3 MET 3 -2.998 17.805 21.932 18 H ALA 4 H ALA 4 1.178 12.833 18.893 19 HA ALA 4 HA ALA 4 1.100 10.308 17.611 20 HB1 ALA 4 HB1 ALA 4 -0.788 11.561 16.466 21 HB2 ALA 4 HB2 ALA 4 0.463 12.581 15.752 22 HB3 ALA 4 HB3 ALA 4 0.440 10.849 15.418 23 H MET 5 H MET 5 3.009 9.851 16.573 24 HA MET 5 HA MET 5 4.808 11.742 15.542 25 HB2 MET 5 HB2 MET 5 4.842 11.597 18.367 26 HB3 MET 5 HB3 MET 5 6.300 10.790 17.803 27 HG2 MET 5 HG2 MET 5 7.250 12.700 17.143 28 HG3 MET 5 HG3 MET 5 5.751 13.323 16.458 29 HE1 MET 5 HE1 MET 5 7.044 15.673 17.450 30 HE2 MET 5 HE2 MET 5 5.299 15.624 17.194 31 HE3 MET 5 HE3 MET 5 5.955 16.337 18.669 32 H ALA 6 H ALA 6 6.105 10.684 14.184 33 HA ALA 6 HA ALA 6 7.494 8.318 14.733 34 HB1 ALA 6 HB1 ALA 6 6.188 6.821 13.124 35 HB2 ALA 6 HB2 ALA 6 5.515 7.069 14.736 36 HB3 ALA 6 HB3 ALA 6 4.852 7.948 13.358 37 H LYS 7 H LYS 7 9.184 8.380 13.414 38 HA LYS 7 HA LYS 7 8.811 9.343 10.662 39 HB2 LYS 7 HB2 LYS 7 10.503 10.484 12.775 40 HB3 LYS 7 HB3 LYS 7 11.348 10.194 11.261 41 HG2 LYS 7 HG2 LYS 7 8.728 11.635 11.282 42 HG3 LYS 7 HG3 LYS 7 10.229 12.482 11.663 43 HD2 LYS 7 HD2 LYS 7 10.879 11.080 9.390 44 HD3 LYS 7 HD3 LYS 7 9.201 11.546 9.096 45 HE2 LYS 7 HE2 LYS 7 10.014 13.514 8.430 46 HE3 LYS 7 HE3 LYS 7 10.325 13.838 10.135 47 HZ1 LYS 7 HZ1 LYS 7 12.362 14.214 9.152 48 HZ2 LYS 7 HZ2 LYS 7 12.204 12.939 8.052 49 HZ3 LYS 7 HZ3 LYS 7 12.526 12.615 9.681 50 H ALA 8 H ALA 8 9.383 6.730 12.275 51 HA ALA 8 HA ALA 8 11.426 5.763 10.397 52 HB1 ALA 8 HB1 ALA 8 12.595 6.070 12.470 53 HB2 ALA 8 HB2 ALA 8 11.342 5.201 13.357 54 HB3 ALA 8 HB3 ALA 8 12.365 4.341 12.206 55 H ARG 9 H ARG 9 11.511 3.193 10.739 56 HA ARG 9 HA ARG 9 8.831 2.105 11.101 57 HB2 ARG 9 HB2 ARG 9 8.993 0.902 8.903 58 HB3 ARG 9 HB3 ARG 9 8.760 2.640 8.775 59 HG2 ARG 9 HG2 ARG 9 11.481 2.430 8.737 60 HG3 ARG 9 HG3 ARG 9 10.979 0.971 7.879 61 HD2 ARG 9 HD2 ARG 9 10.228 2.128 6.105 62 HD3 ARG 9 HD3 ARG 9 9.523 3.395 7.108 63 HE ARG 9 HE ARG 9 12.342 3.585 7.131 64 HH11 ARG 9 HH11 ARG 9 9.581 4.160 5.090 65 HH12 ARG 9 HH12 ARG 9 10.349 5.421 4.184 66 HH21 ARG 9 HH21 ARG 9 13.364 5.244 5.945 67 HH22 ARG 9 HH22 ARG 9 12.501 6.037 4.671 68 H LYS 10 H LYS 10 10.086 1.268 12.955 69 HA LYS 10 HA LYS 10 11.713 -1.071 12.203 70 HB2 LYS 10 HB2 LYS 10 11.769 0.474 14.801 71 HB3 LYS 10 HB3 LYS 10 12.800 -0.887 14.382 72 HG2 LYS 10 HG2 LYS 10 13.088 1.028 12.331 73 HG3 LYS 10 HG3 LYS 10 13.193 1.886 13.870 74 HD2 LYS 10 HD2 LYS 10 14.719 -0.311 14.371 75 HD3 LYS 10 HD3 LYS 10 15.035 -0.052 12.654 76 HE2 LYS 10 HE2 LYS 10 15.253 2.472 13.550 77 HE3 LYS 10 HE3 LYS 10 15.759 1.598 14.995 78 HZ1 LYS 10 HZ1 LYS 10 17.622 2.153 13.526 79 HZ2 LYS 10 HZ2 LYS 10 16.930 1.228 12.291 80 HZ3 LYS 10 HZ3 LYS 10 17.448 0.480 13.717 81 HA PRO 11 HA PRO 11 8.723 -3.736 14.006 82 HB2 PRO 11 HB2 PRO 11 10.312 -5.756 14.883 83 HB3 PRO 11 HB3 PRO 11 9.963 -5.482 13.172 84 HG2 PRO 11 HG2 PRO 11 12.376 -4.700 14.762 85 HG3 PRO 11 HG3 PRO 11 12.286 -5.391 13.131 86 HD2 PRO 11 HD2 PRO 11 12.678 -2.749 13.574 87 HD3 PRO 11 HD3 PRO 11 11.793 -3.360 12.161 88 H ARG 12 H ARG 12 11.626 -3.880 16.080 89 HA ARG 12 HA ARG 12 10.304 -4.338 18.474 90 HB2 ARG 12 HB2 ARG 12 12.933 -4.026 17.694 91 HB3 ARG 12 HB3 ARG 12 12.680 -2.660 18.772 92 HG2 ARG 12 HG2 ARG 12 11.837 -4.248 20.489 93 HG3 ARG 12 HG3 ARG 12 12.283 -5.573 19.412 94 HD2 ARG 12 HD2 ARG 12 14.281 -3.483 20.199 95 HD3 ARG 12 HD3 ARG 12 13.940 -4.852 21.256 96 HE ARG 12 HE ARG 12 14.445 -6.001 18.846 97 HH11 ARG 12 HH11 ARG 12 16.166 -3.755 20.875 98 HH12 ARG 12 HH12 ARG 12 17.732 -4.283 20.354 99 HH21 ARG 12 HH21 ARG 12 16.501 -6.704 18.152 100 HH22 ARG 12 HH22 ARG 12 17.921 -5.960 18.804 101 H GLU 13 H GLU 13 11.300 -1.245 17.040 102 HA GLU 13 HA GLU 13 10.352 0.374 19.155 103 HB2 GLU 13 HB2 GLU 13 10.618 1.189 16.260 104 HB3 GLU 13 HB3 GLU 13 10.673 2.234 17.673 105 HG2 GLU 13 HG2 GLU 13 12.716 0.736 18.324 106 HG3 GLU 13 HG3 GLU 13 12.744 0.389 16.597 107 H ALA 14 H ALA 14 8.752 -1.295 16.637 108 HA ALA 14 HA ALA 14 6.476 0.371 16.344 109 HB1 ALA 14 HB1 ALA 14 7.427 -1.947 15.144 110 HB2 ALA 14 HB2 ALA 14 5.907 -2.428 15.899 111 HB3 ALA 14 HB3 ALA 14 5.938 -1.087 14.753 112 H LEU 15 H LEU 15 7.158 -2.456 18.375 113 HA LEU 15 HA LEU 15 4.569 -2.566 19.543 114 HB2 LEU 15 HB2 LEU 15 5.663 -4.569 19.731 115 HB3 LEU 15 HB3 LEU 15 7.215 -3.810 20.080 116 HG LEU 15 HG LEU 15 6.304 -3.251 22.362 117 HD11 LEU 15 HD11 LEU 15 4.107 -5.085 21.426 118 HD12 LEU 15 HD12 LEU 15 3.955 -3.417 21.976 119 HD13 LEU 15 HD13 LEU 15 4.407 -4.683 23.117 120 HD21 LEU 15 HD21 LEU 15 6.187 -6.188 22.193 121 HD22 LEU 15 HD22 LEU 15 7.222 -5.144 23.167 122 HD23 LEU 15 HD23 LEU 15 7.611 -5.439 21.471 123 H LEU 16 H LEU 16 7.584 -0.979 20.410 124 HA LEU 16 HA LEU 16 6.809 -0.187 23.018 125 HB2 LEU 16 HB2 LEU 16 8.785 1.174 21.197 126 HB3 LEU 16 HB3 LEU 16 8.703 1.294 22.953 127 HG LEU 16 HG LEU 16 9.359 -1.242 21.459 128 HD11 LEU 16 HD11 LEU 16 11.565 -0.215 22.918 129 HD12 LEU 16 HD12 LEU 16 10.965 1.060 21.858 130 HD13 LEU 16 HD13 LEU 16 11.427 -0.502 21.183 131 HD21 LEU 16 HD21 LEU 16 9.246 -0.456 24.345 132 HD22 LEU 16 HD22 LEU 16 10.329 -1.740 23.806 133 HD23 LEU 16 HD23 LEU 16 8.589 -1.887 23.549 134 H TRP 17 H TRP 17 6.725 1.464 19.878 135 HA TRP 17 HA TRP 17 5.583 3.861 20.933 136 HB2 TRP 17 HB2 TRP 17 6.708 3.048 18.486 137 HB3 TRP 17 HB3 TRP 17 5.047 3.506 18.121 138 HD1 TRP 17 HD1 TRP 17 4.399 6.068 18.344 139 HE1 TRP 17 HE1 TRP 17 5.810 8.209 18.572 140 HE3 TRP 17 HE3 TRP 17 8.897 3.952 19.539 141 HZ2 TRP 17 HZ2 TRP 17 8.477 8.908 19.177 142 HZ3 TRP 17 HZ3 TRP 17 10.828 5.427 19.926 143 HH2 TRP 17 HH2 TRP 17 10.620 7.853 19.748 144 H ALA 18 H ALA 18 4.322 0.895 19.569 145 HA ALA 18 HA ALA 18 1.649 1.845 19.222 146 HB1 ALA 18 HB1 ALA 18 2.595 -1.007 19.456 147 HB2 ALA 18 HB2 ALA 18 1.075 -0.444 18.758 148 HB3 ALA 18 HB3 ALA 18 2.604 -0.066 17.964 149 H LEU 19 H LEU 19 3.004 -0.533 21.517 150 HA LEU 19 HA LEU 19 0.818 -0.818 23.159 151 HB2 LEU 19 HB2 LEU 19 2.267 -1.688 24.797 152 HB3 LEU 19 HB3 LEU 19 2.995 -2.080 23.240 153 HG LEU 19 HG LEU 19 4.397 0.078 23.665 154 HD11 LEU 19 HD11 LEU 19 3.156 -0.472 26.310 155 HD12 LEU 19 HD12 LEU 19 3.576 1.064 25.554 156 HD13 LEU 19 HD13 LEU 19 4.838 0.054 26.259 157 HD21 LEU 19 HD21 LEU 19 5.015 -2.305 25.385 158 HD22 LEU 19 HD22 LEU 19 6.133 -1.243 24.529 159 HD23 LEU 19 HD23 LEU 19 5.116 -2.366 23.626 160 H SER 20 H SER 20 3.057 1.837 22.965 161 HA SER 20 HA SER 20 2.065 3.047 25.418 162 HB2 SER 20 HB2 SER 20 4.382 3.382 25.148 163 HB3 SER 20 HB3 SER 20 4.213 3.788 23.440 164 HG SER 20 HG SER 20 3.492 5.346 25.691 165 H ASP 21 H ASP 21 1.465 3.134 22.043 166 HA ASP 21 HA ASP 21 0.398 5.760 21.858 167 HB2 ASP 21 HB2 ASP 21 0.828 3.550 20.106 168 HB3 ASP 21 HB3 ASP 21 -0.851 4.057 19.947 169 H LEU 22 H LEU 22 -0.755 2.914 23.288 170 HA LEU 22 HA LEU 22 -3.534 3.876 23.199 171 HB2 LEU 22 HB2 LEU 22 -3.863 1.472 24.230 172 HB3 LEU 22 HB3 LEU 22 -3.729 1.728 22.491 173 HG LEU 22 HG LEU 22 -1.162 1.228 23.793 174 HD11 LEU 22 HD11 LEU 22 -1.472 -1.030 24.373 175 HD12 LEU 22 HD12 LEU 22 -3.089 -1.074 23.671 176 HD13 LEU 22 HD13 LEU 22 -2.794 -0.161 25.151 177 HD21 LEU 22 HD21 LEU 22 -2.555 -0.220 21.549 178 HD22 LEU 22 HD22 LEU 22 -0.826 -0.175 21.897 179 HD23 LEU 22 HD23 LEU 22 -1.651 1.280 21.336 180 H GLU 23 H GLU 23 -4.738 4.041 25.110 181 HA GLU 23 HA GLU 23 -3.407 5.064 27.336 182 HB2 GLU 23 HB2 GLU 23 -6.204 3.977 27.023 183 HB3 GLU 23 HB3 GLU 23 -5.636 4.734 28.505 184 HG2 GLU 23 HG2 GLU 23 -5.488 6.826 27.538 185 HG3 GLU 23 HG3 GLU 23 -5.396 6.176 25.903 186 H GLU 24 H GLU 24 -3.252 4.247 29.505 187 HA GLU 24 HA GLU 24 -2.153 1.655 29.644 188 HB2 GLU 24 HB2 GLU 24 -1.897 2.051 31.998 189 HB3 GLU 24 HB3 GLU 24 -1.560 3.554 31.151 190 HG2 GLU 24 HG2 GLU 24 -2.855 4.275 32.901 191 HG3 GLU 24 HG3 GLU 24 -4.052 4.084 31.622 192 H ASN 25 H ASN 25 -5.344 2.925 30.355 193 HA ASN 25 HA ASN 25 -6.294 0.566 31.661 194 HB2 ASN 25 HB2 ASN 25 -7.295 3.199 31.062 195 HB3 ASN 25 HB3 ASN 25 -8.494 1.989 30.615 196 HD21 ASN 25 HD21 ASN 25 -9.751 2.957 32.328 197 HD22 ASN 25 HD22 ASN 25 -9.488 2.456 33.961 198 H ASP 26 H ASP 26 -5.306 0.901 28.622 199 HA ASP 26 HA ASP 26 -7.433 -0.794 27.490 200 HB2 ASP 26 HB2 ASP 26 -5.460 1.063 26.156 201 HB3 ASP 26 HB3 ASP 26 -6.431 -0.105 25.264 202 H PHE 27 H PHE 27 -3.907 -0.294 27.274 203 HA PHE 27 HA PHE 27 -3.298 -2.750 26.093 204 HB2 PHE 27 HB2 PHE 27 -1.236 -1.883 26.112 205 HB3 PHE 27 HB3 PHE 27 -1.864 -0.526 27.041 206 HD1 PHE 27 HD1 PHE 27 -0.127 -3.752 27.231 207 HD2 PHE 27 HD2 PHE 27 -1.452 -0.330 29.388 208 HE1 PHE 27 HE1 PHE 27 1.290 -4.407 29.133 209 HE2 PHE 27 HE2 PHE 27 -0.037 -0.979 31.293 210 HZ PHE 27 HZ PHE 27 1.337 -3.019 31.167 211 H LYS 28 H LYS 28 -3.530 -1.834 29.501 212 HA LYS 28 HA LYS 28 -2.619 -4.266 30.587 213 HB2 LYS 28 HB2 LYS 28 -2.790 -2.201 31.900 214 HB3 LYS 28 HB3 LYS 28 -4.543 -2.247 31.758 215 HG2 LYS 28 HG2 LYS 28 -3.914 -3.044 33.926 216 HG3 LYS 28 HG3 LYS 28 -4.543 -4.397 32.983 217 HD2 LYS 28 HD2 LYS 28 -2.583 -5.489 33.032 218 HD3 LYS 28 HD3 LYS 28 -1.653 -4.020 32.729 219 HE2 LYS 28 HE2 LYS 28 -2.503 -3.564 35.256 220 HE3 LYS 28 HE3 LYS 28 -2.375 -5.323 35.271 221 HZ1 LYS 28 HZ1 LYS 28 -0.112 -4.095 34.038 222 HZ2 LYS 28 HZ2 LYS 28 -0.171 -5.204 35.314 223 HZ3 LYS 28 HZ3 LYS 28 -0.327 -3.548 35.624 224 H LYS 29 H LYS 29 -5.861 -3.132 29.731 225 HA LYS 29 HA LYS 29 -7.364 -5.225 30.762 226 HB2 LYS 29 HB2 LYS 29 -7.744 -3.095 28.833 227 HB3 LYS 29 HB3 LYS 29 -8.601 -4.552 28.347 228 HG2 LYS 29 HG2 LYS 29 -10.004 -3.056 29.677 229 HG3 LYS 29 HG3 LYS 29 -9.762 -4.614 30.471 230 HD2 LYS 29 HD2 LYS 29 -8.140 -3.671 31.964 231 HD3 LYS 29 HD3 LYS 29 -8.148 -2.141 31.083 232 HE2 LYS 29 HE2 LYS 29 -9.485 -1.737 32.959 233 HE3 LYS 29 HE3 LYS 29 -10.637 -2.033 31.658 234 HZ1 LYS 29 HZ1 LYS 29 -11.156 -3.190 33.776 235 HZ2 LYS 29 HZ2 LYS 29 -9.754 -4.115 33.577 236 HZ3 LYS 29 HZ3 LYS 29 -11.009 -4.229 32.449 237 H LEU 30 H LEU 30 -5.568 -5.012 27.740 238 HA LEU 30 HA LEU 30 -6.538 -7.502 26.712 239 HB2 LEU 30 HB2 LEU 30 -3.957 -6.483 25.733 240 HB3 LEU 30 HB3 LEU 30 -5.384 -7.003 24.840 241 HG LEU 30 HG LEU 30 -4.966 -4.314 26.142 242 HD11 LEU 30 HD11 LEU 30 -4.410 -5.383 23.501 243 HD12 LEU 30 HD12 LEU 30 -3.902 -3.864 24.239 244 HD13 LEU 30 HD13 LEU 30 -5.477 -3.980 23.453 245 HD21 LEU 30 HD21 LEU 30 -7.353 -5.639 24.957 246 HD22 LEU 30 HD22 LEU 30 -7.117 -3.914 24.673 247 HD23 LEU 30 HD23 LEU 30 -7.236 -4.529 26.323 248 H LYS 31 H LYS 31 -3.385 -6.459 28.009 249 HA LYS 31 HA LYS 31 -2.153 -8.964 27.985 250 HB2 LYS 31 HB2 LYS 31 -1.690 -6.690 29.925 251 HB3 LYS 31 HB3 LYS 31 -0.583 -8.022 29.618 252 HG2 LYS 31 HG2 LYS 31 -1.446 -6.003 27.558 253 HG3 LYS 31 HG3 LYS 31 0.059 -5.932 28.478 254 HD2 LYS 31 HD2 LYS 31 0.730 -8.092 27.534 255 HD3 LYS 31 HD3 LYS 31 -0.773 -8.154 26.610 256 HE2 LYS 31 HE2 LYS 31 1.155 -7.386 25.269 257 HE3 LYS 31 HE3 LYS 31 -0.138 -6.192 25.361 258 HZ1 LYS 31 HZ1 LYS 31 2.521 -5.818 25.988 259 HZ2 LYS 31 HZ2 LYS 31 1.714 -5.823 27.474 260 HZ3 LYS 31 HZ3 LYS 31 1.248 -4.738 26.262 261 H PHE 32 H PHE 32 -4.479 -7.602 30.167 262 HA PHE 32 HA PHE 32 -4.017 -9.330 32.367 263 HB2 PHE 32 HB2 PHE 32 -5.233 -7.310 32.761 264 HB3 PHE 32 HB3 PHE 32 -6.422 -7.711 31.526 265 HD1 PHE 32 HD2 PHE 32 -5.169 -8.634 34.875 266 HD2 PHE 32 HD1 PHE 32 -8.313 -9.017 32.032 267 HE1 PHE 32 HE2 PHE 32 -6.589 -9.682 36.590 268 HE2 PHE 32 HE1 PHE 32 -9.738 -10.064 33.743 269 HZ PHE 32 HZ PHE 32 -8.876 -10.399 36.025 270 H TYR 33 H TYR 33 -6.303 -9.440 29.655 271 HA TYR 33 HA TYR 33 -7.141 -12.122 30.461 272 HB2 TYR 33 HB2 TYR 33 -8.390 -9.927 29.078 273 HB3 TYR 33 HB3 TYR 33 -8.457 -11.376 28.081 274 HD1 TYR 33 HD1 TYR 33 -9.052 -13.572 29.614 275 HD2 TYR 33 HD2 TYR 33 -10.248 -9.562 30.380 276 HE1 TYR 33 HE1 TYR 33 -10.954 -14.398 30.937 277 HE2 TYR 33 HE2 TYR 33 -12.152 -10.376 31.706 278 HH TYR 33 HH TYR 33 -13.514 -12.379 31.932 279 H LEU 34 H LEU 34 -6.053 -10.473 27.490 280 HA LEU 34 HA LEU 34 -5.694 -12.694 25.890 281 HB2 LEU 34 HB2 LEU 34 -5.077 -9.961 25.769 282 HB3 LEU 34 HB3 LEU 34 -3.566 -10.810 25.452 283 HG LEU 34 HG LEU 34 -4.644 -10.296 23.367 284 HD11 LEU 34 HD11 LEU 34 -3.505 -12.290 23.132 285 HD12 LEU 34 HD12 LEU 34 -5.126 -12.725 22.592 286 HD13 LEU 34 HD13 LEU 34 -4.591 -13.161 24.215 287 HD21 LEU 34 HD21 LEU 34 -6.871 -11.396 22.865 288 HD22 LEU 34 HD22 LEU 34 -6.911 -10.008 23.953 289 HD23 LEU 34 HD23 LEU 34 -7.030 -11.644 24.604 290 H ARG 35 H ARG 35 -3.176 -11.069 27.830 291 HA ARG 35 HA ARG 35 -1.198 -13.025 27.376 292 HB2 ARG 35 HB2 ARG 35 -1.290 -10.547 28.590 293 HB3 ARG 35 HB3 ARG 35 -0.979 -11.633 29.938 294 HG2 ARG 35 HG2 ARG 35 0.704 -12.349 27.742 295 HG3 ARG 35 HG3 ARG 35 0.854 -10.620 28.065 296 HD2 ARG 35 HD2 ARG 35 0.819 -12.222 30.493 297 HD3 ARG 35 HD3 ARG 35 2.144 -12.655 29.413 298 HE ARG 35 HE ARG 35 1.958 -9.840 29.725 299 HH11 ARG 35 HH11 ARG 35 3.014 -12.738 31.339 300 HH12 ARG 35 HH12 ARG 35 4.214 -11.927 32.290 301 HH21 ARG 35 HH21 ARG 35 3.535 -8.761 30.971 302 HH22 ARG 35 HH22 ARG 35 4.509 -9.665 32.080 303 H ASP 36 H ASP 36 -3.752 -12.743 29.747 304 HA ASP 36 HA ASP 36 -2.934 -14.483 31.715 305 HB2 ASP 36 HB2 ASP 36 -5.398 -13.313 30.878 306 HB3 ASP 36 HB3 ASP 36 -5.686 -15.018 31.214 307 H MET 37 H MET 37 -4.708 -15.319 28.740 308 HA MET 37 HA MET 37 -4.298 -18.150 29.246 309 HB2 MET 37 HB2 MET 37 -5.951 -16.528 27.394 310 HB3 MET 37 HB3 MET 37 -5.442 -18.108 26.812 311 HG2 MET 37 HG2 MET 37 -6.347 -18.575 29.393 312 HG3 MET 37 HG3 MET 37 -7.489 -17.414 28.720 313 HE1 MET 37 HE1 MET 37 -8.326 -20.715 29.457 314 HE2 MET 37 HE2 MET 37 -9.169 -19.175 29.288 315 HE3 MET 37 HE3 MET 37 -9.592 -20.532 28.242 316 H THR 38 H THR 38 -3.762 -16.081 26.387 317 HA THR 38 HA THR 38 -2.137 -17.705 24.928 318 HB THR 38 HB THR 38 -1.201 -15.755 23.860 319 HG1 THR 38 HG1 THR 38 -0.797 -14.024 24.997 320 HG21 THR 38 HG21 THR 38 -4.006 -15.061 24.731 321 HG22 THR 38 HG22 THR 38 -3.623 -16.277 23.512 322 HG23 THR 38 HG23 THR 38 -3.202 -14.587 23.236 323 H LEU 39 H LEU 39 -1.225 -15.752 27.711 324 HA LEU 39 HA LEU 39 1.403 -17.081 27.691 325 HB2 LEU 39 HB2 LEU 39 0.687 -14.224 28.150 326 HB3 LEU 39 HB3 LEU 39 2.062 -14.910 29.014 327 HG LEU 39 HG LEU 39 2.617 -15.651 26.455 328 HD11 LEU 39 HD11 LEU 39 1.500 -14.448 24.969 329 HD12 LEU 39 HD12 LEU 39 2.159 -12.975 25.680 330 HD13 LEU 39 HD13 LEU 39 0.625 -13.623 26.260 331 HD21 LEU 39 HD21 LEU 39 4.224 -14.686 27.940 332 HD22 LEU 39 HD22 LEU 39 3.378 -13.139 27.936 333 HD23 LEU 39 HD23 LEU 39 4.183 -13.708 26.473 334 H SER 40 H SER 40 2.425 -16.570 30.044 335 HA SER 40 HA SER 40 0.506 -17.757 31.910 336 HB2 SER 40 HB2 SER 40 3.074 -18.472 31.333 337 HB3 SER 40 HB3 SER 40 3.315 -17.469 32.763 338 HG SER 40 HG SER 40 2.332 -18.917 33.960 339 H GLU 41 H GLU 41 0.852 -17.098 34.267 340 HA GLU 41 HA GLU 41 0.270 -14.336 34.507 341 HB2 GLU 41 HB2 GLU 41 0.172 -14.751 36.907 342 HB3 GLU 41 HB3 GLU 41 -0.661 -16.026 36.028 343 HG2 GLU 41 HG2 GLU 41 0.804 -17.616 36.665 344 HG3 GLU 41 HG3 GLU 41 2.180 -16.515 36.638 345 H GLY 42 H GLY 42 1.513 -13.322 36.651 346 HA2 GLY 42 HA2 GLY 42 3.871 -13.192 37.503 347 HA3 GLY 42 HA3 GLY 42 4.344 -13.220 35.811 348 H GLN 43 H GLN 43 2.270 -11.492 34.860 349 HA GLN 43 HA GLN 43 3.521 -8.998 35.232 350 HB2 GLN 43 HB2 GLN 43 1.864 -8.103 33.801 351 HB3 GLN 43 HB3 GLN 43 2.132 -9.750 33.245 352 HG2 GLN 43 HG2 GLN 43 0.125 -10.479 34.427 353 HG3 GLN 43 HG3 GLN 43 -0.143 -8.829 34.988 354 HE21 GLN 43 HE21 GLN 43 -0.620 -7.207 33.414 355 HE22 GLN 43 HE22 GLN 43 -1.371 -7.639 31.920 356 HA PRO 44 HA PRO 44 1.662 -7.362 38.857 357 HB2 PRO 44 HB2 PRO 44 1.602 -4.716 38.251 358 HB3 PRO 44 HB3 PRO 44 3.095 -5.580 38.636 359 HG2 PRO 44 HG2 PRO 44 1.970 -4.838 35.963 360 HG3 PRO 44 HG3 PRO 44 3.644 -4.734 36.540 361 HD2 PRO 44 HD2 PRO 44 2.771 -6.751 34.958 362 HD3 PRO 44 HD3 PRO 44 4.040 -6.976 36.179 363 HA PRO 45 HA PRO 45 -2.675 -6.862 38.307 364 HB2 PRO 45 HB2 PRO 45 -3.305 -5.335 40.461 365 HB3 PRO 45 HB3 PRO 45 -2.865 -7.042 40.590 366 HG2 PRO 45 HG2 PRO 45 -1.180 -4.610 41.053 367 HG3 PRO 45 HG3 PRO 45 -1.274 -6.105 42.003 368 HD2 PRO 45 HD2 PRO 45 0.722 -5.623 40.237 369 HD3 PRO 45 HD3 PRO 45 0.107 -7.257 40.561 370 H LEU 46 H LEU 46 -4.418 -4.997 38.559 371 HA LEU 46 HA LEU 46 -4.023 -3.181 36.508 372 HB2 LEU 46 HB2 LEU 46 -5.949 -3.344 38.780 373 HB3 LEU 46 HB3 LEU 46 -5.931 -1.900 37.769 374 HG LEU 46 HG LEU 46 -7.664 -3.423 37.037 375 HD11 LEU 46 HD11 LEU 46 -5.635 -3.787 34.908 376 HD12 LEU 46 HD12 LEU 46 -5.981 -2.140 35.431 377 HD13 LEU 46 HD13 LEU 46 -7.281 -3.160 34.815 378 HD21 LEU 46 HD21 LEU 46 -7.389 -5.645 36.598 379 HD22 LEU 46 HD22 LEU 46 -6.183 -5.446 37.870 380 HD23 LEU 46 HD23 LEU 46 -5.686 -5.468 36.177 381 H ALA 47 H ALA 47 -2.728 -1.485 36.356 382 HA ALA 47 HA ALA 47 -2.517 0.411 38.534 383 HB1 ALA 47 HB1 ALA 47 -0.769 -1.264 39.044 384 HB2 ALA 47 HB2 ALA 47 -0.020 -0.913 37.485 385 HB3 ALA 47 HB3 ALA 47 -0.116 0.342 38.720 386 H ARG 48 H ARG 48 -2.557 2.393 37.705 387 HA ARG 48 HA ARG 48 -2.416 2.815 34.886 388 HB2 ARG 48 HB2 ARG 48 -3.937 4.195 36.047 389 HB3 ARG 48 HB3 ARG 48 -2.739 4.641 37.254 390 HG2 ARG 48 HG2 ARG 48 -1.798 6.236 35.937 391 HG3 ARG 48 HG3 ARG 48 -2.192 5.389 34.440 392 HD2 ARG 48 HD2 ARG 48 -3.600 7.246 34.411 393 HD3 ARG 48 HD3 ARG 48 -4.633 5.946 35.003 394 HE ARG 48 HE ARG 48 -4.829 7.063 36.987 395 HH11 ARG 48 HH11 ARG 48 -2.093 8.328 35.244 396 HH12 ARG 48 HH12 ARG 48 -1.814 9.622 36.361 397 HH21 ARG 48 HH21 ARG 48 -4.472 8.763 38.465 398 HH22 ARG 48 HH22 ARG 48 -3.167 9.868 38.194 399 H GLY 49 H GLY 49 -0.131 2.898 37.450 400 HA2 GLY 49 HA2 GLY 49 1.725 4.683 36.156 401 HA3 GLY 49 HA3 GLY 49 2.030 3.720 37.594 402 H GLU 50 H GLU 50 0.811 1.597 35.442 403 HA GLU 50 HA GLU 50 3.331 0.363 34.971 404 HB2 GLU 50 HB2 GLU 50 0.566 -0.336 34.719 405 HB3 GLU 50 HB3 GLU 50 1.390 -0.731 33.217 406 HG2 GLU 50 HG2 GLU 50 1.276 -2.539 34.989 407 HG3 GLU 50 HG3 GLU 50 2.853 -2.215 34.271 408 H LEU 51 H LEU 51 0.959 1.884 32.793 409 HA LEU 51 HA LEU 51 2.898 1.854 30.622 410 HB2 LEU 51 HB2 LEU 51 0.338 1.375 30.490 411 HB3 LEU 51 HB3 LEU 51 0.203 3.132 30.448 412 HG LEU 51 HG LEU 51 1.735 1.455 28.461 413 HD11 LEU 51 HD11 LEU 51 -0.555 1.020 28.102 414 HD12 LEU 51 HD12 LEU 51 -0.106 2.251 26.922 415 HD13 LEU 51 HD13 LEU 51 -0.997 2.706 28.373 416 HD21 LEU 51 HD21 LEU 51 2.790 3.505 28.404 417 HD22 LEU 51 HD22 LEU 51 1.324 4.393 28.822 418 HD23 LEU 51 HD23 LEU 51 1.519 3.722 27.201 419 H GLU 52 H GLU 52 0.949 4.254 32.389 420 HA GLU 52 HA GLU 52 2.256 6.486 31.182 421 HB2 GLU 52 HB2 GLU 52 0.033 6.819 31.974 422 HB3 GLU 52 HB3 GLU 52 0.441 6.216 33.574 423 HG2 GLU 52 HG2 GLU 52 1.156 8.207 34.267 424 HG3 GLU 52 HG3 GLU 52 2.045 8.509 32.775 425 H GLY 53 H GLY 53 2.358 5.133 34.485 426 HA2 GLY 53 HA2 GLY 53 4.315 6.797 35.535 427 HA3 GLY 53 HA3 GLY 53 4.023 5.147 36.064 428 H LEU 54 H LEU 54 4.852 3.530 34.202 429 HA LEU 54 HA LEU 54 7.706 4.042 34.070 430 HB2 LEU 54 HB2 LEU 54 6.112 1.615 33.260 431 HB3 LEU 54 HB3 LEU 54 7.870 1.715 33.331 432 HG LEU 54 HG LEU 54 6.648 2.410 35.868 433 HD11 LEU 54 HD11 LEU 54 5.589 0.099 34.439 434 HD12 LEU 54 HD12 LEU 54 4.993 0.912 35.885 435 HD13 LEU 54 HD13 LEU 54 6.268 -0.298 36.017 436 HD21 LEU 54 HD21 LEU 54 8.774 1.827 36.255 437 HD22 LEU 54 HD22 LEU 54 8.883 0.873 34.775 438 HD23 LEU 54 HD23 LEU 54 8.172 0.170 36.229 439 H ILE 55 H ILE 55 8.387 2.538 31.825 440 HA ILE 55 HA ILE 55 7.270 4.150 29.624 441 HB ILE 55 HB ILE 55 9.552 3.909 28.548 442 HG12 ILE 55 HG12 ILE 55 10.193 2.990 31.347 443 HG13 ILE 55 HG13 ILE 55 10.557 2.179 29.828 444 HG21 ILE 55 HG21 ILE 55 8.519 5.863 30.077 445 HG22 ILE 55 HG22 ILE 55 9.983 5.504 30.989 446 HG23 ILE 55 HG23 ILE 55 10.094 5.970 29.292 447 HD11 ILE 55 HD11 ILE 55 11.829 4.682 30.901 448 HD12 ILE 55 HD12 ILE 55 12.573 3.095 30.710 449 HD13 ILE 55 HD13 ILE 55 12.117 4.032 29.288 450 HA PRO 56 HA PRO 56 6.518 0.475 27.348 451 HB2 PRO 56 HB2 PRO 56 7.213 1.188 24.822 452 HB3 PRO 56 HB3 PRO 56 5.765 1.801 25.629 453 HG2 PRO 56 HG2 PRO 56 8.438 3.104 25.288 454 HG3 PRO 56 HG3 PRO 56 6.820 3.807 25.111 455 HD2 PRO 56 HD2 PRO 56 8.324 4.155 27.335 456 HD3 PRO 56 HD3 PRO 56 6.551 4.076 27.384 457 H VAL 57 H VAL 57 9.663 1.960 26.613 458 HA VAL 57 HA VAL 57 10.865 -0.327 25.497 459 HB VAL 57 HB VAL 57 12.172 1.993 26.925 460 HG11 VAL 57 HG11 VAL 57 13.277 -0.279 25.314 461 HG12 VAL 57 HG12 VAL 57 14.115 1.272 25.388 462 HG13 VAL 57 HG13 VAL 57 13.823 0.356 26.866 463 HG21 VAL 57 HG21 VAL 57 12.528 2.902 24.694 464 HG22 VAL 57 HG22 VAL 57 11.690 1.523 23.983 465 HG23 VAL 57 HG23 VAL 57 10.808 2.662 25.000 466 H ASP 58 H ASP 58 10.112 0.496 28.735 467 HA ASP 58 HA ASP 58 12.042 -1.385 29.853 468 HB2 ASP 58 HB2 ASP 58 10.187 0.666 31.011 469 HB3 ASP 58 HB3 ASP 58 10.813 -0.623 32.036 470 H LEU 59 H LEU 59 8.525 -0.841 30.137 471 HA LEU 59 HA LEU 59 7.914 -3.293 31.316 472 HB2 LEU 59 HB2 LEU 59 5.910 -2.359 31.387 473 HB3 LEU 59 HB3 LEU 59 6.511 -1.047 30.375 474 HG LEU 59 HG LEU 59 5.441 -3.578 29.167 475 HD11 LEU 59 HD11 LEU 59 3.261 -2.519 28.992 476 HD12 LEU 59 HD12 LEU 59 3.841 -1.135 29.917 477 HD13 LEU 59 HD13 LEU 59 3.721 -2.719 30.683 478 HD21 LEU 59 HD21 LEU 59 4.961 -1.050 27.830 479 HD22 LEU 59 HD22 LEU 59 5.728 -2.520 27.228 480 HD23 LEU 59 HD23 LEU 59 6.677 -1.332 28.122 481 H ALA 60 H ALA 60 8.302 -2.403 27.942 482 HA ALA 60 HA ALA 60 7.206 -4.714 26.775 483 HB1 ALA 60 HB1 ALA 60 7.660 -2.690 25.498 484 HB2 ALA 60 HB2 ALA 60 9.394 -2.923 25.725 485 HB3 ALA 60 HB3 ALA 60 8.465 -4.084 24.776 486 H GLU 61 H GLU 61 10.532 -3.938 27.749 487 HA GLU 61 HA GLU 61 11.791 -6.233 26.813 488 HB2 GLU 61 HB2 GLU 61 12.365 -4.198 28.879 489 HB3 GLU 61 HB3 GLU 61 13.215 -5.726 29.059 490 HG2 GLU 61 HG2 GLU 61 13.291 -4.749 26.333 491 HG3 GLU 61 HG3 GLU 61 13.970 -3.595 27.480 492 H LEU 62 H LEU 62 9.869 -5.721 29.692 493 HA LEU 62 HA LEU 62 10.579 -8.181 30.959 494 HB2 LEU 62 HB2 LEU 62 9.799 -6.527 32.407 495 HB3 LEU 62 HB3 LEU 62 8.426 -6.140 31.372 496 HG LEU 62 HG LEU 62 8.500 -8.844 32.596 497 HD11 LEU 62 HD11 LEU 62 7.274 -7.702 34.587 498 HD12 LEU 62 HD12 LEU 62 8.223 -6.291 34.119 499 HD13 LEU 62 HD13 LEU 62 9.035 -7.789 34.573 500 HD21 LEU 62 HD21 LEU 62 6.518 -6.882 31.600 501 HD22 LEU 62 HD22 LEU 62 6.018 -7.932 32.926 502 HD23 LEU 62 HD23 LEU 62 6.578 -8.634 31.407 503 H LEU 63 H LEU 63 7.807 -7.097 29.026 504 HA LEU 63 HA LEU 63 6.306 -9.456 29.178 505 HB2 LEU 63 HB2 LEU 63 5.507 -7.253 28.335 506 HB3 LEU 63 HB3 LEU 63 6.430 -7.534 26.860 507 HG LEU 63 HG LEU 63 4.951 -9.735 26.796 508 HD11 LEU 63 HD11 LEU 63 3.059 -9.750 27.992 509 HD12 LEU 63 HD12 LEU 63 2.793 -8.020 27.781 510 HD13 LEU 63 HD13 LEU 63 3.896 -8.595 29.031 511 HD21 LEU 63 HD21 LEU 63 4.676 -8.533 24.911 512 HD22 LEU 63 HD22 LEU 63 4.584 -6.998 25.775 513 HD23 LEU 63 HD23 LEU 63 3.167 -8.045 25.682 514 H ILE 64 H ILE 64 8.601 -8.380 26.677 515 HA ILE 64 HA ILE 64 8.439 -10.627 25.033 516 HB ILE 64 HB ILE 64 10.608 -9.979 24.134 517 HG12 ILE 64 HG12 ILE 64 10.734 -8.000 26.420 518 HG13 ILE 64 HG13 ILE 64 11.691 -9.474 26.311 519 HG21 ILE 64 HG21 ILE 64 8.348 -8.565 23.949 520 HG22 ILE 64 HG22 ILE 64 9.398 -7.330 24.640 521 HG23 ILE 64 HG23 ILE 64 9.834 -8.107 23.119 522 HD11 ILE 64 HD11 ILE 64 13.218 -8.054 25.471 523 HD12 ILE 64 HD12 ILE 64 12.338 -8.349 23.971 524 HD13 ILE 64 HD13 ILE 64 12.004 -6.900 24.919 525 H SER 65 H SER 65 10.182 -10.104 28.012 526 HA SER 65 HA SER 65 11.836 -12.439 27.750 527 HB2 SER 65 HB2 SER 65 12.460 -10.401 29.093 528 HB3 SER 65 HB3 SER 65 11.233 -10.875 30.268 529 HG SER 65 HG SER 65 13.551 -12.324 29.512 530 H LYS 66 H LYS 66 8.671 -11.740 28.931 531 HA LYS 66 HA LYS 66 8.211 -13.688 30.814 532 HB2 LYS 66 HB2 LYS 66 6.504 -12.084 30.297 533 HB3 LYS 66 HB3 LYS 66 6.394 -12.652 28.636 534 HG2 LYS 66 HG2 LYS 66 4.504 -13.431 29.928 535 HG3 LYS 66 HG3 LYS 66 5.512 -14.793 29.431 536 HD2 LYS 66 HD2 LYS 66 6.491 -13.910 31.926 537 HD3 LYS 66 HD3 LYS 66 4.734 -13.992 32.064 538 HE2 LYS 66 HE2 LYS 66 4.738 -16.227 32.023 539 HE3 LYS 66 HE3 LYS 66 5.860 -16.280 30.665 540 HZ1 LYS 66 HZ1 LYS 66 7.395 -16.961 32.088 541 HZ2 LYS 66 HZ2 LYS 66 6.372 -16.721 33.413 542 HZ3 LYS 66 HZ3 LYS 66 7.335 -15.450 32.847 543 H TYR 67 H TYR 67 7.432 -14.077 27.351 544 HA TYR 67 HA TYR 67 8.161 -16.917 27.600 545 HB2 TYR 67 HB2 TYR 67 5.566 -15.982 27.278 546 HB3 TYR 67 HB3 TYR 67 6.054 -16.429 25.647 547 HD1 TYR 67 HD1 TYR 67 7.575 -18.781 25.816 548 HD2 TYR 67 HD2 TYR 67 4.309 -17.623 28.285 549 HE1 TYR 67 HE1 TYR 67 7.131 -21.146 26.327 550 HE2 TYR 67 HE2 TYR 67 3.857 -19.984 28.805 551 HH TYR 67 HH TYR 67 4.955 -22.488 27.083 552 H GLY 68 H GLY 68 7.713 -14.132 25.472 553 HA2 GLY 68 HA2 GLY 68 10.067 -14.567 24.023 554 HA3 GLY 68 HA3 GLY 68 8.746 -15.296 23.122 555 H GLU 69 H GLU 69 10.499 -12.956 22.544 556 HA GLU 69 HA GLU 69 8.976 -10.581 22.782 557 HB2 GLU 69 HB2 GLU 69 10.524 -9.713 21.013 558 HB3 GLU 69 HB3 GLU 69 11.332 -10.398 22.416 559 HG2 GLU 69 HG2 GLU 69 12.178 -12.154 21.252 560 HG3 GLU 69 HG3 GLU 69 10.831 -12.195 20.115 561 H LYS 70 H LYS 70 9.023 -13.178 20.459 562 HA LYS 70 HA LYS 70 7.753 -11.920 18.304 563 HB2 LYS 70 HB2 LYS 70 8.415 -14.621 19.100 564 HB3 LYS 70 HB3 LYS 70 6.829 -14.567 18.341 565 HG2 LYS 70 HG2 LYS 70 8.604 -15.021 16.726 566 HG3 LYS 70 HG3 LYS 70 7.772 -13.504 16.378 567 HD2 LYS 70 HD2 LYS 70 9.980 -13.002 18.131 568 HD3 LYS 70 HD3 LYS 70 10.537 -13.927 16.735 569 HE2 LYS 70 HE2 LYS 70 10.279 -12.189 15.352 570 HE3 LYS 70 HE3 LYS 70 8.697 -11.786 16.019 571 HZ1 LYS 70 HZ1 LYS 70 10.637 -10.133 16.288 572 HZ2 LYS 70 HZ2 LYS 70 11.140 -11.156 17.537 573 HZ3 LYS 70 HZ3 LYS 70 9.619 -10.419 17.609 574 H GLU 71 H GLU 71 6.112 -14.352 20.305 575 HA GLU 71 HA GLU 71 3.531 -13.625 19.699 576 HB2 GLU 71 HB2 GLU 71 4.035 -15.679 20.882 577 HB3 GLU 71 HB3 GLU 71 4.598 -14.776 22.281 578 HG2 GLU 71 HG2 GLU 71 2.517 -14.377 23.037 579 HG3 GLU 71 HG3 GLU 71 1.842 -14.212 21.417 580 H ALA 72 H ALA 72 5.758 -12.088 21.869 581 HA ALA 72 HA ALA 72 4.135 -10.685 23.586 582 HB1 ALA 72 HB1 ALA 72 6.189 -8.924 22.658 583 HB2 ALA 72 HB2 ALA 72 6.082 -9.805 24.182 584 HB3 ALA 72 HB3 ALA 72 6.828 -10.564 22.776 585 H VAL 73 H VAL 73 5.382 -9.344 20.519 586 HA VAL 73 HA VAL 73 3.719 -7.098 20.482 587 HB VAL 73 HB VAL 73 5.052 -8.577 18.216 588 HG11 VAL 73 HG11 VAL 73 4.667 -6.448 16.931 589 HG12 VAL 73 HG12 VAL 73 3.228 -7.429 17.217 590 HG13 VAL 73 HG13 VAL 73 3.521 -5.986 18.188 591 HG21 VAL 73 HG21 VAL 73 5.889 -6.591 20.165 592 HG22 VAL 73 HG22 VAL 73 6.860 -7.605 19.097 593 HG23 VAL 73 HG23 VAL 73 6.196 -6.082 18.505 594 H LYS 74 H LYS 74 3.194 -10.374 19.348 595 HA LYS 74 HA LYS 74 0.862 -9.859 17.826 596 HB2 LYS 74 HB2 LYS 74 1.941 -11.903 17.384 597 HB3 LYS 74 HB3 LYS 74 2.021 -12.330 19.088 598 HG2 LYS 74 HG2 LYS 74 -0.700 -11.990 18.075 599 HG3 LYS 74 HG3 LYS 74 0.205 -13.295 17.304 600 HD2 LYS 74 HD2 LYS 74 -0.006 -14.588 19.105 601 HD3 LYS 74 HD3 LYS 74 0.623 -13.316 20.155 602 HE2 LYS 74 HE2 LYS 74 -1.720 -12.285 19.974 603 HE3 LYS 74 HE3 LYS 74 -2.217 -13.855 19.344 604 HZ1 LYS 74 HZ1 LYS 74 -0.706 -14.273 21.663 605 HZ2 LYS 74 HZ2 LYS 74 -2.346 -14.602 21.408 606 HZ3 LYS 74 HZ3 LYS 74 -1.870 -13.095 22.012 607 H VAL 75 H VAL 75 1.404 -10.701 21.209 608 HA VAL 75 HA VAL 75 -1.299 -11.122 21.906 609 HB VAL 75 HB VAL 75 0.960 -11.571 23.226 610 HG11 VAL 75 HG11 VAL 75 1.035 -8.923 23.441 611 HG12 VAL 75 HG12 VAL 75 0.044 -9.272 24.860 612 HG13 VAL 75 HG13 VAL 75 1.649 -9.987 24.706 613 HG21 VAL 75 HG21 VAL 75 -1.210 -12.469 23.834 614 HG22 VAL 75 HG22 VAL 75 -0.383 -11.862 25.269 615 HG23 VAL 75 HG23 VAL 75 -1.679 -10.919 24.534 616 H VAL 76 H VAL 76 0.481 -8.274 21.245 617 HA VAL 76 HA VAL 76 -1.183 -6.495 22.788 618 HB VAL 76 HB VAL 76 1.092 -6.149 20.890 619 HG11 VAL 76 HG11 VAL 76 -0.225 -4.491 19.945 620 HG12 VAL 76 HG12 VAL 76 -1.010 -4.100 21.476 621 HG13 VAL 76 HG13 VAL 76 0.661 -3.614 21.191 622 HG21 VAL 76 HG21 VAL 76 1.732 -6.348 23.140 623 HG22 VAL 76 HG22 VAL 76 1.798 -4.617 22.805 624 HG23 VAL 76 HG23 VAL 76 0.431 -5.292 23.693 625 H LEU 77 H LEU 77 -0.718 -7.142 19.315 626 HA LEU 77 HA LEU 77 -2.842 -5.453 18.481 627 HB2 LEU 77 HB2 LEU 77 -2.578 -6.542 16.304 628 HB3 LEU 77 HB3 LEU 77 -1.038 -6.017 16.980 629 HG LEU 77 HG LEU 77 -1.127 -8.604 17.814 630 HD11 LEU 77 HD11 LEU 77 -2.361 -9.939 16.529 631 HD12 LEU 77 HD12 LEU 77 -1.854 -9.120 15.052 632 HD13 LEU 77 HD13 LEU 77 -3.200 -8.482 15.996 633 HD21 LEU 77 HD21 LEU 77 0.859 -7.971 16.896 634 HD22 LEU 77 HD22 LEU 77 0.099 -7.174 15.518 635 HD23 LEU 77 HD23 LEU 77 0.226 -8.933 15.560 636 H LYS 78 H LYS 78 -2.574 -8.967 18.917 637 HA LYS 78 HA LYS 78 -5.061 -9.756 18.031 638 HB2 LYS 78 HB2 LYS 78 -3.670 -11.522 18.582 639 HB3 LYS 78 HB3 LYS 78 -3.192 -10.805 20.114 640 HG2 LYS 78 HG2 LYS 78 -4.591 -12.805 20.390 641 HG3 LYS 78 HG3 LYS 78 -5.323 -11.360 21.092 642 HD2 LYS 78 HD2 LYS 78 -6.270 -11.384 18.492 643 HD3 LYS 78 HD3 LYS 78 -6.282 -13.086 18.960 644 HE2 LYS 78 HE2 LYS 78 -7.766 -12.723 20.708 645 HE3 LYS 78 HE3 LYS 78 -7.390 -11.003 20.801 646 HZ1 LYS 78 HZ1 LYS 78 -8.416 -11.494 18.262 647 HZ2 LYS 78 HZ2 LYS 78 -9.133 -10.616 19.517 648 HZ3 LYS 78 HZ3 LYS 78 -9.443 -12.272 19.359 649 H GLY 79 H GLY 79 -4.180 -8.777 21.345 650 HA2 GLY 79 HA2 GLY 79 -6.897 -8.892 22.262 651 HA3 GLY 79 HA3 GLY 79 -5.523 -8.248 23.149 652 H LEU 80 H LEU 80 -4.990 -6.515 20.673 653 HA LEU 80 HA LEU 80 -6.405 -4.224 21.635 654 HB2 LEU 80 HB2 LEU 80 -4.328 -4.789 19.620 655 HB3 LEU 80 HB3 LEU 80 -5.336 -3.377 19.308 656 HG LEU 80 HG LEU 80 -3.708 -3.835 21.808 657 HD11 LEU 80 HD11 LEU 80 -2.327 -3.461 19.804 658 HD12 LEU 80 HD12 LEU 80 -2.226 -2.128 20.954 659 HD13 LEU 80 HD13 LEU 80 -3.207 -1.964 19.498 660 HD21 LEU 80 HD21 LEU 80 -5.933 -2.245 21.460 661 HD22 LEU 80 HD22 LEU 80 -4.589 -1.134 21.191 662 HD23 LEU 80 HD23 LEU 80 -4.693 -2.044 22.699 663 H LYS 81 H LYS 81 -6.812 -6.480 19.009 664 HA LYS 81 HA LYS 81 -8.451 -5.076 17.284 665 HB2 LYS 81 HB2 LYS 81 -8.158 -7.951 18.001 666 HB3 LYS 81 HB3 LYS 81 -9.567 -7.487 17.057 667 HG2 LYS 81 HG2 LYS 81 -7.136 -6.321 16.004 668 HG3 LYS 81 HG3 LYS 81 -7.047 -8.082 16.088 669 HD2 LYS 81 HD2 LYS 81 -8.941 -8.346 14.715 670 HD3 LYS 81 HD3 LYS 81 -9.418 -6.658 14.910 671 HE2 LYS 81 HE2 LYS 81 -7.955 -5.924 13.341 672 HE3 LYS 81 HE3 LYS 81 -6.749 -7.147 13.739 673 HZ1 LYS 81 HZ1 LYS 81 -7.407 -8.243 11.947 674 HZ2 LYS 81 HZ2 LYS 81 -8.680 -7.164 11.673 675 HZ3 LYS 81 HZ3 LYS 81 -8.910 -8.505 12.678 676 H VAL 82 H VAL 82 -9.538 -7.189 19.949 677 HA VAL 82 HA VAL 82 -12.254 -6.549 19.779 678 HB VAL 82 HB VAL 82 -10.912 -7.208 22.387 679 HG11 VAL 82 HG11 VAL 82 -13.611 -7.748 21.175 680 HG12 VAL 82 HG12 VAL 82 -13.028 -8.579 22.619 681 HG13 VAL 82 HG13 VAL 82 -13.230 -6.826 22.630 682 HG21 VAL 82 HG21 VAL 82 -11.344 -8.985 20.008 683 HG22 VAL 82 HG22 VAL 82 -9.890 -8.779 20.984 684 HG23 VAL 82 HG23 VAL 82 -11.283 -9.633 21.647 685 H MET 83 H MET 83 -9.738 -4.531 20.555 686 HA MET 83 HA MET 83 -11.348 -2.868 22.358 687 HB2 MET 83 HB2 MET 83 -8.936 -3.505 22.904 688 HB3 MET 83 HB3 MET 83 -8.464 -2.416 21.607 689 HG2 MET 83 HG2 MET 83 -8.275 -1.176 23.587 690 HG3 MET 83 HG3 MET 83 -9.756 -0.619 22.813 691 HE1 MET 83 HE1 MET 83 -7.967 -1.629 25.590 692 HE2 MET 83 HE2 MET 83 -9.126 -1.599 26.919 693 HE3 MET 83 HE3 MET 83 -8.718 -3.128 26.140 694 H ASN 84 H ASN 84 -10.553 -3.179 19.116 695 HA ASN 84 HA ASN 84 -11.009 -1.895 17.292 696 HB2 ASN 84 HB2 ASN 84 -12.700 -0.812 19.357 697 HB3 ASN 84 HB3 ASN 84 -12.120 0.487 18.319 698 HD21 ASN 84 HD21 ASN 84 -13.937 -2.480 18.456 699 HD22 ASN 84 HD22 ASN 84 -14.748 -2.285 16.943 700 H LEU 85 H LEU 85 -8.544 -1.638 18.867 701 HA LEU 85 HA LEU 85 -7.788 1.151 18.614 702 HB2 LEU 85 HB2 LEU 85 -6.784 -1.197 19.978 703 HB3 LEU 85 HB3 LEU 85 -5.498 -0.336 19.135 704 HG LEU 85 HG LEU 85 -5.429 0.599 21.244 705 HD11 LEU 85 HD11 LEU 85 -7.455 2.469 20.087 706 HD12 LEU 85 HD12 LEU 85 -5.893 2.245 19.300 707 HD13 LEU 85 HD13 LEU 85 -5.966 2.830 20.962 708 HD21 LEU 85 HD21 LEU 85 -7.987 1.424 21.975 709 HD22 LEU 85 HD22 LEU 85 -7.065 0.085 22.659 710 HD23 LEU 85 HD23 LEU 85 -8.198 -0.208 21.339 711 H LEU 86 H LEU 86 -8.507 -0.394 16.220 712 HA LEU 86 HA LEU 86 -6.267 -1.160 14.730 713 HB2 LEU 86 HB2 LEU 86 -7.665 -0.986 12.793 714 HB3 LEU 86 HB3 LEU 86 -8.610 -1.646 14.126 715 HG LEU 86 HG LEU 86 -9.115 1.068 14.259 716 HD11 LEU 86 HD11 LEU 86 -8.003 0.777 11.797 717 HD12 LEU 86 HD12 LEU 86 -9.178 2.018 12.231 718 HD13 LEU 86 HD13 LEU 86 -9.714 0.536 11.441 719 HD21 LEU 86 HD21 LEU 86 -11.288 0.434 13.949 720 HD22 LEU 86 HD22 LEU 86 -10.566 -1.133 14.318 721 HD23 LEU 86 HD23 LEU 86 -10.894 -0.685 12.643 722 H GLU 87 H GLU 87 -7.162 1.896 15.828 723 HA GLU 87 HA GLU 87 -6.473 3.642 13.808 724 HB2 GLU 87 HB2 GLU 87 -7.393 4.384 15.945 725 HB3 GLU 87 HB3 GLU 87 -5.912 3.913 16.766 726 HG2 GLU 87 HG2 GLU 87 -5.272 6.021 16.503 727 HG3 GLU 87 HG3 GLU 87 -5.006 5.609 14.810 728 H LEU 88 H LEU 88 -4.219 3.019 16.484 729 HA LEU 88 HA LEU 88 -1.966 3.656 14.823 730 HB2 LEU 88 HB2 LEU 88 -1.884 2.424 17.564 731 HB3 LEU 88 HB3 LEU 88 -0.644 3.394 16.772 732 HG LEU 88 HG LEU 88 -1.497 4.888 18.296 733 HD11 LEU 88 HD11 LEU 88 -3.218 5.240 15.847 734 HD12 LEU 88 HD12 LEU 88 -1.610 5.910 16.116 735 HD13 LEU 88 HD13 LEU 88 -2.969 6.462 17.094 736 HD21 LEU 88 HD21 LEU 88 -3.701 3.128 18.335 737 HD22 LEU 88 HD22 LEU 88 -4.334 4.742 18.010 738 HD23 LEU 88 HD23 LEU 88 -3.345 4.455 19.442 739 H VAL 89 H VAL 89 -3.538 0.753 15.940 740 HA VAL 89 HA VAL 89 -1.520 -1.126 15.574 741 HB VAL 89 HB VAL 89 -4.448 -1.190 15.707 742 HG11 VAL 89 HG11 VAL 89 -2.958 -3.302 14.159 743 HG12 VAL 89 HG12 VAL 89 -4.572 -3.529 14.836 744 HG13 VAL 89 HG13 VAL 89 -4.298 -2.303 13.597 745 HG21 VAL 89 HG21 VAL 89 -2.344 -1.950 17.285 746 HG22 VAL 89 HG22 VAL 89 -4.021 -2.442 17.516 747 HG23 VAL 89 HG23 VAL 89 -2.907 -3.491 16.639 748 H ASP 90 H ASP 90 -3.389 0.628 13.244 749 HA ASP 90 HA ASP 90 -3.409 -0.876 10.994 750 HB2 ASP 90 HB2 ASP 90 -3.991 1.651 11.385 751 HB3 ASP 90 HB3 ASP 90 -2.362 1.924 10.771 752 H GLN 91 H GLN 91 -0.622 1.088 12.038 753 HA GLN 91 HA GLN 91 1.084 -0.058 10.027 754 HB2 GLN 91 HB2 GLN 91 1.200 2.139 11.905 755 HB3 GLN 91 HB3 GLN 91 2.691 1.207 11.940 756 HG2 GLN 91 HG2 GLN 91 3.180 1.659 9.721 757 HG3 GLN 91 HG3 GLN 91 1.512 2.087 9.339 758 HE21 GLN 91 HE21 GLN 91 1.575 4.128 8.699 759 HE22 GLN 91 HE22 GLN 91 2.311 5.432 9.561 760 H LEU 92 H LEU 92 1.226 -0.057 13.594 761 HA LEU 92 HA LEU 92 3.217 -1.738 14.150 762 HB2 LEU 92 HB2 LEU 92 1.911 -0.928 15.937 763 HB3 LEU 92 HB3 LEU 92 0.452 -1.704 15.323 764 HG LEU 92 HG LEU 92 1.626 -2.684 17.406 765 HD11 LEU 92 HD11 LEU 92 1.270 -4.922 15.586 766 HD12 LEU 92 HD12 LEU 92 -0.027 -3.733 15.472 767 HD13 LEU 92 HD13 LEU 92 0.356 -4.474 17.026 768 HD21 LEU 92 HD21 LEU 92 3.209 -4.335 15.540 769 HD22 LEU 92 HD22 LEU 92 3.559 -3.835 17.195 770 HD23 LEU 92 HD23 LEU 92 3.820 -2.712 15.860 771 H SER 93 H SER 93 -0.038 -2.899 13.277 772 HA SER 93 HA SER 93 0.595 -5.631 13.260 773 HB2 SER 93 HB2 SER 93 -1.501 -5.974 12.207 774 HB3 SER 93 HB3 SER 93 -1.720 -4.542 13.212 775 HG SER 93 HG SER 93 -2.180 -4.740 10.654 776 H HIS 94 H HIS 94 0.562 -3.246 10.631 777 HA HIS 94 HA HIS 94 1.381 -5.097 8.627 778 HB2 HIS 94 HB2 HIS 94 0.218 -2.750 8.416 779 HB3 HIS 94 HB3 HIS 94 1.875 -2.154 8.379 780 HD1 HIS 94 HD1 HIS 94 3.382 -3.062 6.372 781 HD2 HIS 94 HD2 HIS 94 -0.694 -3.802 6.056 782 HE1 HIS 94 HE1 HIS 94 2.993 -3.664 3.962 783 H ILE 95 H ILE 95 3.018 -3.986 11.227 784 HA ILE 95 HA ILE 95 5.608 -3.866 9.842 785 HB ILE 95 HB ILE 95 4.958 -3.091 12.689 786 HG12 ILE 95 HG12 ILE 95 4.661 -1.678 10.172 787 HG13 ILE 95 HG13 ILE 95 4.123 -1.216 11.783 788 HG21 ILE 95 HG21 ILE 95 7.174 -2.163 12.774 789 HG22 ILE 95 HG22 ILE 95 7.284 -3.854 12.287 790 HG23 ILE 95 HG23 ILE 95 7.456 -2.577 11.084 791 HD11 ILE 95 HD11 ILE 95 5.590 0.468 10.928 792 HD12 ILE 95 HD12 ILE 95 6.405 -0.377 12.245 793 HD13 ILE 95 HD13 ILE 95 6.832 -0.732 10.572 794 H CYS 96 H CYS 96 3.796 -5.579 12.312 795 HA CYS 96 HA CYS 96 6.041 -7.453 12.633 796 HB2 CYS 96 HB2 CYS 96 5.011 -6.254 14.662 797 HB3 CYS 96 HB3 CYS 96 3.627 -7.313 14.427 798 HG CYS 96 HG CYS 96 4.646 -9.474 15.445 799 H LEU 97 H LEU 97 4.006 -7.344 10.442 800 HA LEU 97 HA LEU 97 2.890 -8.839 9.141 801 HB2 LEU 97 HB2 LEU 97 4.675 -10.403 10.708 802 HB3 LEU 97 HB3 LEU 97 3.146 -11.271 10.584 803 HG LEU 97 HG LEU 97 4.811 -11.905 8.857 804 HD11 LEU 97 HD11 LEU 97 3.146 -12.384 7.445 805 HD12 LEU 97 HD12 LEU 97 2.727 -10.688 7.211 806 HD13 LEU 97 HD13 LEU 97 2.112 -11.562 8.613 807 HD21 LEU 97 HD21 LEU 97 5.536 -9.380 8.695 808 HD22 LEU 97 HD22 LEU 97 4.293 -9.335 7.445 809 HD23 LEU 97 HD23 LEU 97 5.651 -10.452 7.300 810 H HIS 98 H HIS 98 0.778 -8.401 9.278 811 HA HIS 98 HA HIS 98 -0.720 -8.963 11.692 812 HB2 HIS 98 HB2 HIS 98 -2.497 -7.761 10.712 813 HB3 HIS 98 HB3 HIS 98 -1.043 -6.921 10.181 814 HD1 HIS 98 HD1 HIS 98 -4.135 -7.906 8.884 815 HD2 HIS 98 HD2 HIS 98 -0.237 -8.193 7.474 816 HE1 HIS 98 HE1 HIS 98 -4.340 -8.196 6.394 817 H ASP 99 H ASP 99 -0.212 -10.370 8.555 818 HA ASP 99 HA ASP 99 -2.479 -12.014 8.394 819 HB2 ASP 99 HB2 ASP 99 -1.078 -11.696 6.459 820 HB3 ASP 99 HB3 ASP 99 0.310 -12.390 7.292 821 H TYR 100 H TYR 100 0.217 -12.146 10.472 822 HA TYR 100 HA TYR 100 0.287 -14.950 10.939 823 HB2 TYR 100 HB2 TYR 100 1.459 -12.534 12.201 824 HB3 TYR 100 HB3 TYR 100 1.325 -13.966 13.215 825 HD1 TYR 100 HD2 TYR 100 1.997 -13.880 9.567 826 HD2 TYR 100 HD1 TYR 100 3.588 -14.573 13.452 827 HE1 TYR 100 HE2 TYR 100 4.052 -14.781 8.559 828 HE2 TYR 100 HE1 TYR 100 5.647 -15.474 12.455 829 HH TYR 100 HH TYR 100 6.271 -15.272 9.030 830 H ARG 101 H ARG 101 -1.884 -12.506 11.847 831 HA ARG 101 HA ARG 101 -3.149 -14.332 13.773 832 HB2 ARG 101 HB2 ARG 101 -2.563 -11.404 14.100 833 HB3 ARG 101 HB3 ARG 101 -3.911 -12.149 14.948 834 HG2 ARG 101 HG2 ARG 101 -1.386 -13.602 15.208 835 HG3 ARG 101 HG3 ARG 101 -1.367 -11.975 15.891 836 HD2 ARG 101 HD2 ARG 101 -2.426 -12.754 17.680 837 HD3 ARG 101 HD3 ARG 101 -3.812 -13.134 16.657 838 HE ARG 101 HE ARG 101 -1.722 -15.129 16.672 839 HH11 ARG 101 HH11 ARG 101 -4.691 -14.021 18.112 840 HH12 ARG 101 HH12 ARG 101 -5.115 -15.575 18.749 841 HH21 ARG 101 HH21 ARG 101 -2.269 -17.180 17.505 842 HH22 ARG 101 HH22 ARG 101 -3.736 -17.372 18.404 843 H GLU 102 H GLU 102 -5.318 -14.560 13.574 844 HA GLU 102 HA GLU 102 -6.586 -13.790 11.194 845 HB2 GLU 102 HB2 GLU 102 -7.124 -15.643 13.048 846 HB3 GLU 102 HB3 GLU 102 -8.267 -14.412 13.564 847 HG2 GLU 102 HG2 GLU 102 -8.728 -14.477 10.890 848 HG3 GLU 102 HG3 GLU 102 -8.305 -16.157 11.215 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -4.924 5.588 8.358 2 HA2 GLY 1 HA2 GLY 1 -5.784 3.423 6.645 3 HA3 GLY 1 HA3 GLY 1 -5.143 4.811 5.778 4 H ALA 2 H ALA 2 -3.920 2.394 5.507 5 HA ALA 2 HA ALA 2 -1.307 2.960 6.659 6 HB1 ALA 2 HB1 ALA 2 -1.305 0.277 7.004 7 HB2 ALA 2 HB2 ALA 2 -1.648 1.443 8.283 8 HB3 ALA 2 HB3 ALA 2 -2.975 0.664 7.422 9 H MET 3 H MET 3 0.281 2.622 5.226 10 HA MET 3 HA MET 3 -0.421 1.285 2.710 11 HB2 MET 3 HB2 MET 3 1.648 3.344 3.435 12 HB3 MET 3 HB3 MET 3 1.752 2.432 1.935 13 HG2 MET 3 HG2 MET 3 0.431 3.931 0.998 14 HG3 MET 3 HG3 MET 3 -0.871 3.380 2.050 15 HE1 MET 3 HE1 MET 3 -1.643 4.509 4.183 16 HE2 MET 3 HE2 MET 3 -1.654 6.273 4.182 17 HE3 MET 3 HE3 MET 3 -2.271 5.386 2.787 18 H ALA 4 H ALA 4 1.726 0.383 1.619 19 HA ALA 4 HA ALA 4 2.789 -1.573 3.530 20 HB1 ALA 4 HB1 ALA 4 3.483 -2.781 1.396 21 HB2 ALA 4 HB2 ALA 4 1.756 -2.686 1.741 22 HB3 ALA 4 HB3 ALA 4 2.476 -1.610 0.544 23 H MET 5 H MET 5 4.279 0.092 4.349 24 HA MET 5 HA MET 5 6.617 0.426 2.586 25 HB2 MET 5 HB2 MET 5 5.629 2.200 4.823 26 HB3 MET 5 HB3 MET 5 7.173 2.409 4.009 27 HG2 MET 5 HG2 MET 5 6.187 3.081 2.028 28 HG3 MET 5 HG3 MET 5 4.637 2.349 2.436 29 HE1 MET 5 HE1 MET 5 7.061 5.233 2.798 30 HE2 MET 5 HE2 MET 5 5.829 5.676 1.617 31 HE3 MET 5 HE3 MET 5 5.973 6.582 3.124 32 H ALA 6 H ALA 6 8.699 0.217 3.523 33 HA ALA 6 HA ALA 6 8.712 -1.423 5.970 34 HB1 ALA 6 HB1 ALA 6 11.141 -1.544 4.385 35 HB2 ALA 6 HB2 ALA 6 10.110 -2.847 4.978 36 HB3 ALA 6 HB3 ALA 6 9.714 -2.026 3.468 37 H LYS 7 H LYS 7 9.995 -0.875 7.660 38 HA LYS 7 HA LYS 7 12.212 0.864 7.525 39 HB2 LYS 7 HB2 LYS 7 10.107 2.387 7.185 40 HB3 LYS 7 HB3 LYS 7 9.916 2.190 8.922 41 HG2 LYS 7 HG2 LYS 7 12.368 2.951 9.065 42 HG3 LYS 7 HG3 LYS 7 12.130 3.521 7.412 43 HD2 LYS 7 HD2 LYS 7 10.407 4.298 9.763 44 HD3 LYS 7 HD3 LYS 7 11.734 5.272 9.124 45 HE2 LYS 7 HE2 LYS 7 9.873 4.439 7.055 46 HE3 LYS 7 HE3 LYS 7 9.084 5.368 8.329 47 HZ1 LYS 7 HZ1 LYS 7 10.372 6.452 6.250 48 HZ2 LYS 7 HZ2 LYS 7 11.603 6.452 7.409 49 HZ3 LYS 7 HZ3 LYS 7 10.139 7.236 7.731 50 H ALA 8 H ALA 8 12.519 -1.307 8.680 51 HA ALA 8 HA ALA 8 11.632 -1.321 11.448 52 HB1 ALA 8 HB1 ALA 8 11.596 -3.491 10.860 53 HB2 ALA 8 HB2 ALA 8 12.800 -3.277 9.589 54 HB3 ALA 8 HB3 ALA 8 13.310 -3.435 11.270 55 H ARG 9 H ARG 9 12.713 0.409 12.387 56 HA ARG 9 HA ARG 9 15.631 0.450 12.265 57 HB2 ARG 9 HB2 ARG 9 14.460 2.575 11.961 58 HB3 ARG 9 HB3 ARG 9 13.674 2.382 13.522 59 HG2 ARG 9 HG2 ARG 9 15.571 2.897 14.698 60 HG3 ARG 9 HG3 ARG 9 16.647 2.368 13.403 61 HD2 ARG 9 HD2 ARG 9 14.870 4.690 12.880 62 HD3 ARG 9 HD3 ARG 9 16.249 4.933 13.950 63 HE ARG 9 HE ARG 9 17.225 3.647 11.710 64 HH11 ARG 9 HH11 ARG 9 15.618 6.650 12.432 65 HH12 ARG 9 HH12 ARG 9 16.358 7.511 11.123 66 HH21 ARG 9 HH21 ARG 9 18.205 4.770 9.983 67 HH22 ARG 9 HH22 ARG 9 17.828 6.440 9.730 68 H LYS 10 H LYS 10 13.440 1.150 14.972 69 HA LYS 10 HA LYS 10 15.029 -0.704 16.624 70 HB2 LYS 10 HB2 LYS 10 14.294 2.109 17.039 71 HB3 LYS 10 HB3 LYS 10 13.962 1.074 18.421 72 HG2 LYS 10 HG2 LYS 10 16.087 1.600 18.944 73 HG3 LYS 10 HG3 LYS 10 16.445 0.255 17.858 74 HD2 LYS 10 HD2 LYS 10 16.662 1.884 15.997 75 HD3 LYS 10 HD3 LYS 10 16.434 3.191 17.161 76 HE2 LYS 10 HE2 LYS 10 18.527 1.201 17.794 77 HE3 LYS 10 HE3 LYS 10 18.845 2.270 16.428 78 HZ1 LYS 10 HZ1 LYS 10 18.645 4.161 17.801 79 HZ2 LYS 10 HZ2 LYS 10 19.639 3.082 18.642 80 HZ3 LYS 10 HZ3 LYS 10 18.019 3.266 19.094 81 HA PRO 11 HA PRO 11 10.766 -2.343 16.733 82 HB2 PRO 11 HB2 PRO 11 11.547 -4.908 17.160 83 HB3 PRO 11 HB3 PRO 11 11.483 -4.178 15.551 84 HG2 PRO 11 HG2 PRO 11 13.837 -4.583 17.356 85 HG3 PRO 11 HG3 PRO 11 13.710 -4.845 15.606 86 HD2 PRO 11 HD2 PRO 11 14.853 -2.632 16.669 87 HD3 PRO 11 HD3 PRO 11 13.978 -2.606 15.125 88 H ARG 12 H ARG 12 13.335 -3.672 18.833 89 HA ARG 12 HA ARG 12 11.759 -4.347 20.997 90 HB2 ARG 12 HB2 ARG 12 14.563 -4.050 20.462 91 HB3 ARG 12 HB3 ARG 12 14.202 -3.386 22.049 92 HG2 ARG 12 HG2 ARG 12 12.971 -5.574 22.497 93 HG3 ARG 12 HG3 ARG 12 13.789 -6.183 21.056 94 HD2 ARG 12 HD2 ARG 12 15.444 -6.739 22.457 95 HD3 ARG 12 HD3 ARG 12 15.843 -5.022 22.434 96 HE ARG 12 HE ARG 12 13.987 -5.238 24.409 97 HH11 ARG 12 HH11 ARG 12 17.016 -6.814 23.733 98 HH12 ARG 12 HH12 ARG 12 17.396 -7.086 25.401 99 HH21 ARG 12 HH21 ARG 12 14.476 -5.590 26.609 100 HH22 ARG 12 HH22 ARG 12 15.950 -6.391 27.036 101 H GLU 13 H GLU 13 13.446 -1.271 20.405 102 HA GLU 13 HA GLU 13 12.506 -0.013 22.768 103 HB2 GLU 13 HB2 GLU 13 14.115 0.703 20.461 104 HB3 GLU 13 HB3 GLU 13 13.039 2.013 20.926 105 HG2 GLU 13 HG2 GLU 13 14.765 0.614 22.935 106 HG3 GLU 13 HG3 GLU 13 15.373 1.948 21.956 107 H ALA 14 H ALA 14 11.067 -0.656 19.731 108 HA ALA 14 HA ALA 14 9.205 1.492 19.665 109 HB1 ALA 14 HB1 ALA 14 8.155 -0.786 18.320 110 HB2 ALA 14 HB2 ALA 14 8.855 0.680 17.632 111 HB3 ALA 14 HB3 ALA 14 9.890 -0.697 18.010 112 H LEU 15 H LEU 15 9.061 -1.835 20.872 113 HA LEU 15 HA LEU 15 6.329 -1.800 21.584 114 HB2 LEU 15 HB2 LEU 15 7.796 -3.822 21.322 115 HB3 LEU 15 HB3 LEU 15 8.507 -3.422 22.884 116 HG LEU 15 HG LEU 15 6.659 -5.225 22.757 117 HD11 LEU 15 HD11 LEU 15 5.672 -3.663 24.878 118 HD12 LEU 15 HD12 LEU 15 7.387 -3.285 24.725 119 HD13 LEU 15 HD13 LEU 15 6.869 -4.956 24.945 120 HD21 LEU 15 HD21 LEU 15 5.171 -3.641 21.415 121 HD22 LEU 15 HD22 LEU 15 4.863 -2.825 22.948 122 HD23 LEU 15 HD23 LEU 15 4.424 -4.522 22.747 123 H LEU 16 H LEU 16 9.270 -0.947 23.333 124 HA LEU 16 HA LEU 16 8.031 -0.572 25.857 125 HB2 LEU 16 HB2 LEU 16 10.514 0.835 24.923 126 HB3 LEU 16 HB3 LEU 16 10.072 0.373 26.565 127 HG LEU 16 HG LEU 16 10.793 -1.567 24.369 128 HD11 LEU 16 HD11 LEU 16 12.589 -1.340 26.648 129 HD12 LEU 16 HD12 LEU 16 12.510 0.130 25.678 130 HD13 LEU 16 HD13 LEU 16 12.946 -1.402 24.922 131 HD21 LEU 16 HD21 LEU 16 9.723 -2.980 25.740 132 HD22 LEU 16 HD22 LEU 16 9.728 -1.838 27.084 133 HD23 LEU 16 HD23 LEU 16 11.154 -2.824 26.759 134 H TRP 17 H TRP 17 8.866 1.640 23.217 135 HA TRP 17 HA TRP 17 7.900 3.965 24.565 136 HB2 TRP 17 HB2 TRP 17 9.356 3.420 22.209 137 HB3 TRP 17 HB3 TRP 17 7.903 4.279 21.705 138 HD1 TRP 17 HD1 TRP 17 7.642 6.269 24.179 139 HE1 TRP 17 HE1 TRP 17 9.332 8.194 24.431 140 HE3 TRP 17 HE3 TRP 17 11.447 4.388 21.329 141 HZ2 TRP 17 HZ2 TRP 17 11.934 8.831 23.540 142 HZ3 TRP 17 HZ3 TRP 17 13.502 5.718 21.079 143 HH2 TRP 17 HH2 TRP 17 13.738 7.894 22.162 144 H ALA 18 H ALA 18 6.520 1.604 22.381 145 HA ALA 18 HA ALA 18 4.149 3.088 21.800 146 HB1 ALA 18 HB1 ALA 18 3.365 1.117 20.714 147 HB2 ALA 18 HB2 ALA 18 5.088 1.265 20.366 148 HB3 ALA 18 HB3 ALA 18 4.528 0.109 21.575 149 H LEU 19 H LEU 19 4.686 0.159 23.772 150 HA LEU 19 HA LEU 19 2.168 -0.020 24.898 151 HB2 LEU 19 HB2 LEU 19 3.087 -1.468 26.486 152 HB3 LEU 19 HB3 LEU 19 4.111 -1.645 25.063 153 HG LEU 19 HG LEU 19 5.633 0.086 26.271 154 HD11 LEU 19 HD11 LEU 19 5.421 -0.535 28.822 155 HD12 LEU 19 HD12 LEU 19 3.723 -0.741 28.394 156 HD13 LEU 19 HD13 LEU 19 4.518 0.811 28.126 157 HD21 LEU 19 HD21 LEU 19 6.653 -1.928 25.985 158 HD22 LEU 19 HD22 LEU 19 5.322 -2.833 26.707 159 HD23 LEU 19 HD23 LEU 19 6.461 -1.964 27.738 160 H SER 20 H SER 20 4.733 2.197 25.602 161 HA SER 20 HA SER 20 3.527 3.068 28.101 162 HB2 SER 20 HB2 SER 20 5.481 4.247 28.504 163 HB3 SER 20 HB3 SER 20 6.086 2.932 27.496 164 HG SER 20 HG SER 20 6.886 4.839 26.679 165 H ASP 21 H ASP 21 3.375 3.822 24.782 166 HA ASP 21 HA ASP 21 2.658 6.587 25.064 167 HB2 ASP 21 HB2 ASP 21 3.265 4.806 22.921 168 HB3 ASP 21 HB3 ASP 21 1.692 5.530 22.601 169 H LEU 22 H LEU 22 1.094 3.907 26.014 170 HA LEU 22 HA LEU 22 -1.556 5.085 25.492 171 HB2 LEU 22 HB2 LEU 22 -2.213 2.548 25.981 172 HB3 LEU 22 HB3 LEU 22 -1.862 3.157 24.364 173 HG LEU 22 HG LEU 22 0.534 2.208 25.684 174 HD11 LEU 22 HD11 LEU 22 -1.491 0.068 25.130 175 HD12 LEU 22 HD12 LEU 22 -1.307 0.770 26.737 176 HD13 LEU 22 HD13 LEU 22 0.053 -0.055 25.974 177 HD21 LEU 22 HD21 LEU 22 -0.933 1.498 23.149 178 HD22 LEU 22 HD22 LEU 22 0.646 0.851 23.595 179 HD23 LEU 22 HD23 LEU 22 0.447 2.582 23.321 180 H GLU 23 H GLU 23 -3.177 4.660 27.158 181 HA GLU 23 HA GLU 23 -2.123 5.142 29.766 182 HB2 GLU 23 HB2 GLU 23 -4.921 4.696 28.734 183 HB3 GLU 23 HB3 GLU 23 -4.572 4.982 30.433 184 HG2 GLU 23 HG2 GLU 23 -3.588 7.143 29.874 185 HG3 GLU 23 HG3 GLU 23 -3.926 6.856 28.168 186 H GLU 24 H GLU 24 -2.382 3.866 31.643 187 HA GLU 24 HA GLU 24 -1.760 1.156 31.345 188 HB2 GLU 24 HB2 GLU 24 -1.984 0.988 33.745 189 HB3 GLU 24 HB3 GLU 24 -1.213 2.515 33.343 190 HG2 GLU 24 HG2 GLU 24 -2.699 3.230 34.903 191 HG3 GLU 24 HG3 GLU 24 -3.683 3.410 33.452 192 H ASN 25 H ASN 25 -4.825 2.793 31.710 193 HA ASN 25 HA ASN 25 -6.341 0.431 32.275 194 HB2 ASN 25 HB2 ASN 25 -6.819 3.161 32.409 195 HB3 ASN 25 HB3 ASN 25 -7.851 2.625 31.086 196 HD21 ASN 25 HD21 ASN 25 -6.883 1.475 34.304 197 HD22 ASN 25 HD22 ASN 25 -8.478 1.052 34.817 198 H ASP 26 H ASP 26 -4.660 1.094 29.644 199 HA ASP 26 HA ASP 26 -6.700 0.059 27.785 200 HB2 ASP 26 HB2 ASP 26 -4.257 1.759 27.263 201 HB3 ASP 26 HB3 ASP 26 -5.189 0.985 25.984 202 H PHE 27 H PHE 27 -3.184 -0.022 28.379 203 HA PHE 27 HA PHE 27 -2.643 -2.272 26.808 204 HB2 PHE 27 HB2 PHE 27 -0.797 -0.946 27.475 205 HB3 PHE 27 HB3 PHE 27 -1.227 -1.067 29.178 206 HD1 PHE 27 HD2 PHE 27 -0.722 -3.073 30.451 207 HD2 PHE 27 HD1 PHE 27 0.386 -2.715 26.357 208 HE1 PHE 27 HE2 PHE 27 0.802 -4.988 30.699 209 HE2 PHE 27 HE1 PHE 27 1.911 -4.631 26.599 210 HZ PHE 27 HZ PHE 27 2.121 -5.769 28.772 211 H LYS 28 H LYS 28 -3.200 -2.043 30.316 212 HA LYS 28 HA LYS 28 -2.958 -4.735 30.945 213 HB2 LYS 28 HB2 LYS 28 -4.927 -2.838 32.227 214 HB3 LYS 28 HB3 LYS 28 -4.174 -4.250 32.958 215 HG2 LYS 28 HG2 LYS 28 -2.429 -2.054 31.966 216 HG3 LYS 28 HG3 LYS 28 -3.314 -1.830 33.477 217 HD2 LYS 28 HD2 LYS 28 -1.576 -4.225 32.915 218 HD3 LYS 28 HD3 LYS 28 -0.987 -2.764 33.711 219 HE2 LYS 28 HE2 LYS 28 -1.907 -3.349 35.657 220 HE3 LYS 28 HE3 LYS 28 -3.449 -3.734 34.896 221 HZ1 LYS 28 HZ1 LYS 28 -1.085 -5.512 35.126 222 HZ2 LYS 28 HZ2 LYS 28 -2.464 -5.885 34.222 223 HZ3 LYS 28 HZ3 LYS 28 -2.578 -5.699 35.899 224 H LYS 29 H LYS 29 -5.806 -2.934 29.852 225 HA LYS 29 HA LYS 29 -7.733 -4.906 30.120 226 HB2 LYS 29 HB2 LYS 29 -7.398 -2.598 28.240 227 HB3 LYS 29 HB3 LYS 29 -8.727 -3.726 28.001 228 HG2 LYS 29 HG2 LYS 29 -9.211 -1.634 29.351 229 HG3 LYS 29 HG3 LYS 29 -9.714 -3.174 30.052 230 HD2 LYS 29 HD2 LYS 29 -7.770 -3.199 31.489 231 HD3 LYS 29 HD3 LYS 29 -7.150 -1.732 30.727 232 HE2 LYS 29 HE2 LYS 29 -8.721 -0.383 31.741 233 HE3 LYS 29 HE3 LYS 29 -9.867 -1.705 31.962 234 HZ1 LYS 29 HZ1 LYS 29 -9.133 -1.560 34.073 235 HZ2 LYS 29 HZ2 LYS 29 -7.647 -0.874 33.646 236 HZ3 LYS 29 HZ3 LYS 29 -7.880 -2.543 33.500 237 H LEU 30 H LEU 30 -5.275 -4.497 27.658 238 HA LEU 30 HA LEU 30 -6.350 -6.486 25.894 239 HB2 LEU 30 HB2 LEU 30 -3.478 -5.765 25.786 240 HB3 LEU 30 HB3 LEU 30 -4.645 -5.962 24.480 241 HG LEU 30 HG LEU 30 -4.342 -3.566 26.287 242 HD11 LEU 30 HD11 LEU 30 -3.041 -2.694 24.714 243 HD12 LEU 30 HD12 LEU 30 -4.193 -3.110 23.445 244 HD13 LEU 30 HD13 LEU 30 -2.986 -4.288 23.962 245 HD21 LEU 30 HD21 LEU 30 -6.018 -2.772 24.331 246 HD22 LEU 30 HD22 LEU 30 -6.554 -3.355 25.907 247 HD23 LEU 30 HD23 LEU 30 -6.530 -4.448 24.523 248 H LYS 31 H LYS 31 -3.492 -6.375 28.022 249 HA LYS 31 HA LYS 31 -2.719 -9.043 27.667 250 HB2 LYS 31 HB2 LYS 31 -2.305 -7.212 30.036 251 HB3 LYS 31 HB3 LYS 31 -1.479 -8.748 29.807 252 HG2 LYS 31 HG2 LYS 31 -1.290 -6.370 27.968 253 HG3 LYS 31 HG3 LYS 31 -0.083 -6.850 29.163 254 HD2 LYS 31 HD2 LYS 31 0.498 -8.775 27.976 255 HD3 LYS 31 HD3 LYS 31 -0.994 -8.755 27.033 256 HE2 LYS 31 HE2 LYS 31 1.276 -6.779 26.813 257 HE3 LYS 31 HE3 LYS 31 0.921 -8.079 25.677 258 HZ1 LYS 31 HZ1 LYS 31 -0.426 -5.523 26.054 259 HZ2 LYS 31 HZ2 LYS 31 -1.410 -6.847 25.683 260 HZ3 LYS 31 HZ3 LYS 31 -0.157 -6.406 24.636 261 H PHE 32 H PHE 32 -5.204 -7.616 29.620 262 HA PHE 32 HA PHE 32 -5.553 -9.739 31.458 263 HB2 PHE 32 HB2 PHE 32 -6.468 -7.334 31.581 264 HB3 PHE 32 HB3 PHE 32 -7.766 -7.915 30.543 265 HD1 PHE 32 HD2 PHE 32 -6.009 -8.920 33.679 266 HD2 PHE 32 HD1 PHE 32 -9.691 -8.617 31.564 267 HE1 PHE 32 HE2 PHE 32 -7.211 -9.755 35.657 268 HE2 PHE 32 HE1 PHE 32 -10.898 -9.450 33.539 269 HZ PHE 32 HZ PHE 32 -9.658 -10.021 35.589 270 H TYR 33 H TYR 33 -7.205 -8.928 28.417 271 HA TYR 33 HA TYR 33 -8.597 -11.492 28.474 272 HB2 TYR 33 HB2 TYR 33 -9.563 -9.129 27.775 273 HB3 TYR 33 HB3 TYR 33 -8.878 -9.561 26.212 274 HD1 TYR 33 HD2 TYR 33 -10.859 -11.297 28.875 275 HD2 TYR 33 HD1 TYR 33 -10.392 -10.453 24.731 276 HE1 TYR 33 HE2 TYR 33 -12.854 -12.649 28.382 277 HE2 TYR 33 HE1 TYR 33 -12.387 -11.801 24.226 278 HH TYR 33 HH TYR 33 -13.876 -13.269 25.058 279 H LEU 34 H LEU 34 -6.599 -9.640 26.172 280 HA LEU 34 HA LEU 34 -6.246 -11.603 24.259 281 HB2 LEU 34 HB2 LEU 34 -4.188 -9.583 25.135 282 HB3 LEU 34 HB3 LEU 34 -4.246 -10.412 23.582 283 HG LEU 34 HG LEU 34 -5.835 -8.104 24.570 284 HD11 LEU 34 HD11 LEU 34 -4.178 -8.851 22.259 285 HD12 LEU 34 HD12 LEU 34 -4.406 -7.286 23.040 286 HD13 LEU 34 HD13 LEU 34 -5.603 -7.879 21.889 287 HD21 LEU 34 HD21 LEU 34 -7.438 -8.630 22.622 288 HD22 LEU 34 HD22 LEU 34 -7.679 -9.460 24.160 289 HD23 LEU 34 HD23 LEU 34 -6.891 -10.295 22.820 290 H ARG 35 H ARG 35 -3.941 -10.817 26.871 291 HA ARG 35 HA ARG 35 -2.260 -13.015 26.458 292 HB2 ARG 35 HB2 ARG 35 -2.297 -10.828 28.152 293 HB3 ARG 35 HB3 ARG 35 -2.451 -12.192 29.252 294 HG2 ARG 35 HG2 ARG 35 -0.452 -13.099 27.730 295 HG3 ARG 35 HG3 ARG 35 -0.180 -11.364 27.558 296 HD2 ARG 35 HD2 ARG 35 -0.707 -12.350 30.293 297 HD3 ARG 35 HD3 ARG 35 0.826 -12.834 29.569 298 HE ARG 35 HE ARG 35 0.199 -10.009 29.415 299 HH11 ARG 35 HH11 ARG 35 1.821 -12.559 31.143 300 HH12 ARG 35 HH12 ARG 35 2.921 -11.491 31.949 301 HH21 ARG 35 HH21 ARG 35 1.642 -8.592 30.470 302 HH22 ARG 35 HH22 ARG 35 2.818 -9.235 31.566 303 H ASP 36 H ASP 36 -5.284 -12.722 28.151 304 HA ASP 36 HA ASP 36 -5.149 -14.985 29.794 305 HB2 ASP 36 HB2 ASP 36 -7.158 -13.110 28.945 306 HB3 ASP 36 HB3 ASP 36 -7.818 -14.742 28.905 307 H MET 37 H MET 37 -6.656 -14.669 26.574 308 HA MET 37 HA MET 37 -6.783 -17.565 26.337 309 HB2 MET 37 HB2 MET 37 -8.623 -15.926 25.604 310 HB3 MET 37 HB3 MET 37 -7.593 -15.583 24.222 311 HG2 MET 37 HG2 MET 37 -7.917 -17.641 23.288 312 HG3 MET 37 HG3 MET 37 -8.238 -18.415 24.838 313 HE1 MET 37 HE1 MET 37 -9.326 -18.338 21.927 314 HE2 MET 37 HE2 MET 37 -10.884 -19.042 22.359 315 HE3 MET 37 HE3 MET 37 -10.813 -17.434 21.638 316 H THR 38 H THR 38 -5.684 -14.978 24.137 317 HA THR 38 HA THR 38 -4.229 -16.454 22.371 318 HB THR 38 HB THR 38 -3.048 -14.512 21.758 319 HG1 THR 38 HG1 THR 38 -3.161 -13.969 24.487 320 HG21 THR 38 HG21 THR 38 -5.439 -13.294 23.109 321 HG22 THR 38 HG22 THR 38 -5.616 -14.391 21.739 322 HG23 THR 38 HG23 THR 38 -4.720 -12.884 21.552 323 H LEU 39 H LEU 39 -3.301 -15.522 25.621 324 HA LEU 39 HA LEU 39 -0.930 -17.244 25.369 325 HB2 LEU 39 HB2 LEU 39 -1.112 -14.553 26.707 326 HB3 LEU 39 HB3 LEU 39 0.215 -15.683 26.970 327 HG LEU 39 HG LEU 39 -0.138 -15.222 24.155 328 HD11 LEU 39 HD11 LEU 39 0.285 -12.757 25.838 329 HD12 LEU 39 HD12 LEU 39 -1.121 -13.095 24.830 330 HD13 LEU 39 HD13 LEU 39 0.461 -12.859 24.086 331 HD21 LEU 39 HD21 LEU 39 1.893 -15.721 25.965 332 HD22 LEU 39 HD22 LEU 39 2.222 -14.083 25.400 333 HD23 LEU 39 HD23 LEU 39 2.080 -15.404 24.240 334 H SER 40 H SER 40 -0.022 -17.256 27.905 335 HA SER 40 HA SER 40 -2.209 -18.581 29.327 336 HB2 SER 40 HB2 SER 40 0.623 -19.061 29.046 337 HB3 SER 40 HB3 SER 40 0.192 -18.940 30.751 338 HG SER 40 HG SER 40 -1.304 -20.525 28.957 339 H GLU 41 H GLU 41 -1.846 -18.453 31.849 340 HA GLU 41 HA GLU 41 -2.182 -15.660 32.521 341 HB2 GLU 41 HB2 GLU 41 -2.870 -16.472 34.713 342 HB3 GLU 41 HB3 GLU 41 -3.705 -17.355 33.442 343 HG2 GLU 41 HG2 GLU 41 -2.641 -19.312 33.902 344 HG3 GLU 41 HG3 GLU 41 -1.191 -18.511 34.505 345 H GLY 42 H GLY 42 -1.267 -15.299 34.988 346 HA2 GLY 42 HA2 GLY 42 0.818 -15.829 36.276 347 HA3 GLY 42 HA3 GLY 42 1.647 -15.721 34.730 348 H GLN 43 H GLN 43 -0.274 -13.425 34.072 349 HA GLN 43 HA GLN 43 1.492 -11.337 34.853 350 HB2 GLN 43 HB2 GLN 43 0.133 -9.898 33.571 351 HB3 GLN 43 HB3 GLN 43 0.068 -11.448 32.743 352 HG2 GLN 43 HG2 GLN 43 -2.032 -10.471 34.661 353 HG3 GLN 43 HG3 GLN 43 -2.113 -10.275 32.911 354 HE21 GLN 43 HE21 GLN 43 -2.714 -11.966 31.658 355 HE22 GLN 43 HE22 GLN 43 -3.200 -13.503 32.278 356 HA PRO 44 HA PRO 44 -0.201 -10.003 38.675 357 HB2 PRO 44 HB2 PRO 44 0.216 -7.324 38.529 358 HB3 PRO 44 HB3 PRO 44 1.524 -8.487 38.773 359 HG2 PRO 44 HG2 PRO 44 0.644 -7.126 36.256 360 HG3 PRO 44 HG3 PRO 44 2.288 -7.414 36.856 361 HD2 PRO 44 HD2 PRO 44 1.143 -8.955 34.947 362 HD3 PRO 44 HD3 PRO 44 2.308 -9.599 36.122 363 HA PRO 45 HA PRO 45 -4.334 -8.552 38.295 364 HB2 PRO 45 HB2 PRO 45 -4.640 -7.010 40.508 365 HB3 PRO 45 HB3 PRO 45 -4.532 -8.773 40.573 366 HG2 PRO 45 HG2 PRO 45 -2.410 -6.726 41.088 367 HG3 PRO 45 HG3 PRO 45 -2.778 -8.208 41.990 368 HD2 PRO 45 HD2 PRO 45 -0.744 -8.053 40.209 369 HD3 PRO 45 HD3 PRO 45 -1.657 -9.550 40.488 370 H LEU 46 H LEU 46 -5.731 -6.549 38.294 371 HA LEU 46 HA LEU 46 -4.584 -4.601 36.576 372 HB2 LEU 46 HB2 LEU 46 -7.217 -5.214 37.686 373 HB3 LEU 46 HB3 LEU 46 -6.933 -3.490 37.450 374 HG LEU 46 HG LEU 46 -6.726 -3.726 35.129 375 HD11 LEU 46 HD11 LEU 46 -5.262 -5.486 34.781 376 HD12 LEU 46 HD12 LEU 46 -6.778 -6.111 34.133 377 HD13 LEU 46 HD13 LEU 46 -6.229 -6.614 35.731 378 HD21 LEU 46 HD21 LEU 46 -8.862 -5.575 36.168 379 HD22 LEU 46 HD22 LEU 46 -8.738 -5.096 34.476 380 HD23 LEU 46 HD23 LEU 46 -9.017 -3.876 35.720 381 H ALA 47 H ALA 47 -3.240 -3.060 37.217 382 HA ALA 47 HA ALA 47 -3.948 -1.423 39.524 383 HB1 ALA 47 HB1 ALA 47 -1.805 -1.588 40.573 384 HB2 ALA 47 HB2 ALA 47 -2.431 -3.222 40.350 385 HB3 ALA 47 HB3 ALA 47 -1.186 -2.599 39.267 386 H ARG 48 H ARG 48 -3.529 0.685 39.204 387 HA ARG 48 HA ARG 48 -2.745 1.611 36.659 388 HB2 ARG 48 HB2 ARG 48 -2.695 3.867 37.795 389 HB3 ARG 48 HB3 ARG 48 -4.207 2.981 37.936 390 HG2 ARG 48 HG2 ARG 48 -4.059 2.849 40.161 391 HG3 ARG 48 HG3 ARG 48 -2.334 2.481 40.122 392 HD2 ARG 48 HD2 ARG 48 -1.857 4.570 40.701 393 HD3 ARG 48 HD3 ARG 48 -2.704 5.173 39.277 394 HE ARG 48 HE ARG 48 -4.689 4.642 41.069 395 HH11 ARG 48 HH11 ARG 48 -1.792 6.572 41.114 396 HH12 ARG 48 HH12 ARG 48 -2.433 7.743 42.218 397 HH21 ARG 48 HH21 ARG 48 -5.544 6.177 42.523 398 HH22 ARG 48 HH22 ARG 48 -4.567 7.517 43.020 399 H GLY 49 H GLY 49 -0.946 0.789 39.479 400 HA2 GLY 49 HA2 GLY 49 1.375 2.368 38.806 401 HA3 GLY 49 HA3 GLY 49 1.263 1.164 40.081 402 H GLU 50 H GLU 50 0.095 -0.340 37.435 403 HA GLU 50 HA GLU 50 2.412 -1.960 37.120 404 HB2 GLU 50 HB2 GLU 50 -0.190 -2.424 36.721 405 HB3 GLU 50 HB3 GLU 50 0.260 -2.026 35.069 406 HG2 GLU 50 HG2 GLU 50 2.108 -3.890 36.309 407 HG3 GLU 50 HG3 GLU 50 0.453 -4.495 36.266 408 H LEU 51 H LEU 51 0.786 0.381 34.994 409 HA LEU 51 HA LEU 51 3.065 0.293 33.164 410 HB2 LEU 51 HB2 LEU 51 0.621 0.186 32.422 411 HB3 LEU 51 HB3 LEU 51 0.556 1.905 32.809 412 HG LEU 51 HG LEU 51 2.343 2.307 31.145 413 HD11 LEU 51 HD11 LEU 51 2.298 0.110 29.512 414 HD12 LEU 51 HD12 LEU 51 2.363 -0.609 31.121 415 HD13 LEU 51 HD13 LEU 51 3.602 0.541 30.618 416 HD21 LEU 51 HD21 LEU 51 0.932 1.887 29.153 417 HD22 LEU 51 HD22 LEU 51 0.050 2.630 30.487 418 HD23 LEU 51 HD23 LEU 51 -0.138 0.907 30.156 419 H GLU 52 H GLU 52 1.147 2.668 34.991 420 HA GLU 52 HA GLU 52 2.861 4.856 34.389 421 HB2 GLU 52 HB2 GLU 52 0.515 5.171 35.036 422 HB3 GLU 52 HB3 GLU 52 0.862 4.521 36.632 423 HG2 GLU 52 HG2 GLU 52 0.712 7.005 36.515 424 HG3 GLU 52 HG3 GLU 52 2.215 6.384 37.194 425 H GLY 53 H GLY 53 2.390 2.958 37.375 426 HA2 GLY 53 HA2 GLY 53 4.427 4.155 38.869 427 HA3 GLY 53 HA3 GLY 53 3.803 2.533 39.132 428 H LEU 54 H LEU 54 4.580 1.024 37.162 429 HA LEU 54 HA LEU 54 7.444 0.927 37.457 430 HB2 LEU 54 HB2 LEU 54 5.676 -0.847 35.785 431 HB3 LEU 54 HB3 LEU 54 7.316 -1.190 36.331 432 HG LEU 54 HG LEU 54 4.867 -0.995 38.083 433 HD11 LEU 54 HD11 LEU 54 5.968 -3.502 38.343 434 HD12 LEU 54 HD12 LEU 54 6.111 -3.175 36.616 435 HD13 LEU 54 HD13 LEU 54 4.535 -3.090 37.402 436 HD21 LEU 54 HD21 LEU 54 6.476 -0.385 39.568 437 HD22 LEU 54 HD22 LEU 54 7.772 -1.157 38.654 438 HD23 LEU 54 HD23 LEU 54 6.689 -2.134 39.647 439 H ILE 55 H ILE 55 8.328 -0.128 35.093 440 HA ILE 55 HA ILE 55 7.920 2.081 33.183 441 HB ILE 55 HB ILE 55 10.283 1.649 32.442 442 HG12 ILE 55 HG12 ILE 55 10.280 -0.017 34.962 443 HG13 ILE 55 HG13 ILE 55 10.658 -0.551 33.328 444 HG21 ILE 55 HG21 ILE 55 10.218 2.473 35.323 445 HG22 ILE 55 HG22 ILE 55 11.197 3.118 34.007 446 HG23 ILE 55 HG23 ILE 55 9.468 3.458 34.068 447 HD11 ILE 55 HD11 ILE 55 12.602 1.082 33.419 448 HD12 ILE 55 HD12 ILE 55 12.292 1.171 35.153 449 HD13 ILE 55 HD13 ILE 55 12.718 -0.371 34.412 450 HA PRO 56 HA PRO 56 6.999 -0.818 30.019 451 HB2 PRO 56 HB2 PRO 56 8.236 0.265 27.859 452 HB3 PRO 56 HB3 PRO 56 6.782 0.963 28.583 453 HG2 PRO 56 HG2 PRO 56 9.645 1.764 28.935 454 HG3 PRO 56 HG3 PRO 56 8.215 2.789 28.712 455 HD2 PRO 56 HD2 PRO 56 9.335 2.358 31.139 456 HD3 PRO 56 HD3 PRO 56 7.592 2.617 30.924 457 H VAL 57 H VAL 57 10.419 0.163 30.047 458 HA VAL 57 HA VAL 57 11.418 -2.036 28.611 459 HB VAL 57 HB VAL 57 12.809 -0.349 30.696 460 HG11 VAL 57 HG11 VAL 57 14.796 -1.144 29.114 461 HG12 VAL 57 HG12 VAL 57 14.292 -2.064 30.533 462 HG13 VAL 57 HG13 VAL 57 13.735 -2.540 28.929 463 HG21 VAL 57 HG21 VAL 57 11.978 0.168 27.982 464 HG22 VAL 57 HG22 VAL 57 12.677 1.268 29.171 465 HG23 VAL 57 HG23 VAL 57 13.729 0.293 28.145 466 H ASP 58 H ASP 58 10.244 -1.781 31.813 467 HA ASP 58 HA ASP 58 11.647 -4.174 32.717 468 HB2 ASP 58 HB2 ASP 58 11.371 -2.215 34.239 469 HB3 ASP 58 HB3 ASP 58 9.629 -2.479 34.201 470 H LEU 59 H LEU 59 8.255 -3.065 32.613 471 HA LEU 59 HA LEU 59 7.096 -5.563 33.081 472 HB2 LEU 59 HB2 LEU 59 5.266 -4.320 33.107 473 HB3 LEU 59 HB3 LEU 59 6.220 -2.950 32.541 474 HG LEU 59 HG LEU 59 5.048 -4.904 30.594 475 HD11 LEU 59 HD11 LEU 59 3.089 -3.435 30.407 476 HD12 LEU 59 HD12 LEU 59 3.651 -2.524 31.808 477 HD13 LEU 59 HD13 LEU 59 3.188 -4.216 31.986 478 HD21 LEU 59 HD21 LEU 59 5.710 -3.437 29.043 479 HD22 LEU 59 HD22 LEU 59 6.732 -2.762 30.313 480 HD23 LEU 59 HD23 LEU 59 5.151 -2.052 29.981 481 H ALA 60 H ALA 60 8.177 -4.043 30.106 482 HA ALA 60 HA ALA 60 6.973 -5.797 28.274 483 HB1 ALA 60 HB1 ALA 60 8.734 -5.031 26.704 484 HB2 ALA 60 HB2 ALA 60 7.911 -3.710 27.535 485 HB3 ALA 60 HB3 ALA 60 9.523 -4.206 28.048 486 H GLU 61 H GLU 61 10.200 -5.876 29.773 487 HA GLU 61 HA GLU 61 11.199 -8.131 28.506 488 HB2 GLU 61 HB2 GLU 61 11.718 -6.823 31.138 489 HB3 GLU 61 HB3 GLU 61 12.413 -8.411 30.842 490 HG2 GLU 61 HG2 GLU 61 12.812 -6.496 28.666 491 HG3 GLU 61 HG3 GLU 61 13.578 -6.047 30.189 492 H LEU 62 H LEU 62 8.955 -7.865 31.178 493 HA LEU 62 HA LEU 62 9.058 -10.619 31.925 494 HB2 LEU 62 HB2 LEU 62 8.312 -9.238 33.624 495 HB3 LEU 62 HB3 LEU 62 7.267 -8.312 32.549 496 HG LEU 62 HG LEU 62 6.474 -11.115 32.857 497 HD11 LEU 62 HD11 LEU 62 7.040 -11.071 35.082 498 HD12 LEU 62 HD12 LEU 62 5.403 -10.418 35.136 499 HD13 LEU 62 HD13 LEU 62 6.789 -9.331 35.226 500 HD21 LEU 62 HD21 LEU 62 5.003 -8.510 33.238 501 HD22 LEU 62 HD22 LEU 62 4.281 -10.111 33.072 502 HD23 LEU 62 HD23 LEU 62 5.144 -9.386 31.714 503 H LEU 63 H LEU 63 6.844 -8.667 29.958 504 HA LEU 63 HA LEU 63 4.978 -10.675 29.389 505 HB2 LEU 63 HB2 LEU 63 4.441 -8.404 28.926 506 HB3 LEU 63 HB3 LEU 63 5.824 -8.234 27.848 507 HG LEU 63 HG LEU 63 4.660 -9.953 26.360 508 HD11 LEU 63 HD11 LEU 63 2.032 -9.458 26.873 509 HD12 LEU 63 HD12 LEU 63 2.690 -9.625 28.500 510 HD13 LEU 63 HD13 LEU 63 2.893 -10.928 27.329 511 HD21 LEU 63 HD21 LEU 63 3.204 -7.341 26.696 512 HD22 LEU 63 HD22 LEU 63 3.455 -8.267 25.216 513 HD23 LEU 63 HD23 LEU 63 4.818 -7.461 25.994 514 H ILE 64 H ILE 64 7.791 -9.591 27.492 515 HA ILE 64 HA ILE 64 7.552 -11.376 25.375 516 HB ILE 64 HB ILE 64 9.976 -11.075 25.026 517 HG12 ILE 64 HG12 ILE 64 9.960 -9.365 27.511 518 HG13 ILE 64 HG13 ILE 64 10.469 -11.050 27.531 519 HG21 ILE 64 HG21 ILE 64 8.731 -8.446 25.786 520 HG22 ILE 64 HG22 ILE 64 9.880 -8.778 24.490 521 HG23 ILE 64 HG23 ILE 64 8.222 -9.370 24.372 522 HD11 ILE 64 HD11 ILE 64 11.963 -10.080 25.493 523 HD12 ILE 64 HD12 ILE 64 11.857 -8.670 26.547 524 HD13 ILE 64 HD13 ILE 64 12.499 -10.190 27.169 525 H SER 65 H SER 65 8.785 -11.863 28.604 526 HA SER 65 HA SER 65 10.021 -14.392 28.025 527 HB2 SER 65 HB2 SER 65 9.838 -12.590 30.287 528 HB3 SER 65 HB3 SER 65 9.560 -14.258 30.785 529 HG SER 65 HG SER 65 11.550 -14.587 29.328 530 H LYS 66 H LYS 66 6.861 -13.297 28.836 531 HA LYS 66 HA LYS 66 5.705 -15.411 30.147 532 HB2 LYS 66 HB2 LYS 66 4.460 -13.397 29.661 533 HB3 LYS 66 HB3 LYS 66 4.549 -13.710 27.932 534 HG2 LYS 66 HG2 LYS 66 2.353 -14.256 28.758 535 HG3 LYS 66 HG3 LYS 66 3.182 -15.728 28.245 536 HD2 LYS 66 HD2 LYS 66 3.464 -14.938 31.088 537 HD3 LYS 66 HD3 LYS 66 1.885 -15.536 30.572 538 HE2 LYS 66 HE2 LYS 66 3.277 -17.450 29.482 539 HE3 LYS 66 HE3 LYS 66 4.526 -16.937 30.616 540 HZ1 LYS 66 HZ1 LYS 66 1.903 -18.143 31.164 541 HZ2 LYS 66 HZ2 LYS 66 2.596 -17.123 32.321 542 HZ3 LYS 66 HZ3 LYS 66 3.415 -18.517 31.825 543 H TYR 67 H TYR 67 5.608 -15.028 26.599 544 HA TYR 67 HA TYR 67 5.893 -17.939 26.347 545 HB2 TYR 67 HB2 TYR 67 3.456 -16.879 26.108 546 HB3 TYR 67 HB3 TYR 67 4.027 -16.570 24.472 547 HD1 TYR 67 HD2 TYR 67 5.162 -18.666 23.304 548 HD2 TYR 67 HD1 TYR 67 2.403 -18.889 26.535 549 HE1 TYR 67 HE2 TYR 67 4.621 -20.980 22.674 550 HE2 TYR 67 HE1 TYR 67 1.855 -21.205 25.914 551 HH TYR 67 HH TYR 67 2.503 -22.977 24.656 552 H GLY 68 H GLY 68 6.013 -14.771 24.784 553 HA2 GLY 68 HA2 GLY 68 8.454 -15.332 23.471 554 HA3 GLY 68 HA3 GLY 68 7.124 -15.520 22.338 555 H GLU 69 H GLU 69 9.369 -13.534 22.556 556 HA GLU 69 HA GLU 69 8.271 -11.021 23.268 557 HB2 GLU 69 HB2 GLU 69 10.199 -10.100 21.946 558 HB3 GLU 69 HB3 GLU 69 10.646 -11.236 23.211 559 HG2 GLU 69 HG2 GLU 69 11.370 -12.804 21.747 560 HG3 GLU 69 HG3 GLU 69 10.205 -12.345 20.506 561 H LYS 70 H LYS 70 8.242 -12.922 20.342 562 HA LYS 70 HA LYS 70 7.549 -10.948 18.487 563 HB2 LYS 70 HB2 LYS 70 8.175 -13.422 18.108 564 HB3 LYS 70 HB3 LYS 70 6.468 -13.754 18.375 565 HG2 LYS 70 HG2 LYS 70 6.578 -13.590 16.084 566 HG3 LYS 70 HG3 LYS 70 6.092 -11.956 16.544 567 HD2 LYS 70 HD2 LYS 70 8.754 -11.658 16.618 568 HD3 LYS 70 HD3 LYS 70 8.643 -12.937 15.406 569 HE2 LYS 70 HE2 LYS 70 6.752 -11.339 14.451 570 HE3 LYS 70 HE3 LYS 70 7.701 -10.121 15.302 571 HZ1 LYS 70 HZ1 LYS 70 8.216 -11.272 12.813 572 HZ2 LYS 70 HZ2 LYS 70 9.446 -11.775 13.859 573 HZ3 LYS 70 HZ3 LYS 70 9.143 -10.125 13.642 574 H GLU 71 H GLU 71 5.239 -13.382 19.668 575 HA GLU 71 HA GLU 71 2.935 -12.037 18.981 576 HB2 GLU 71 HB2 GLU 71 3.181 -14.423 19.837 577 HB3 GLU 71 HB3 GLU 71 3.164 -13.742 21.457 578 HG2 GLU 71 HG2 GLU 71 0.955 -13.331 21.411 579 HG3 GLU 71 HG3 GLU 71 0.961 -12.897 19.702 580 H ALA 72 H ALA 72 5.046 -11.503 21.684 581 HA ALA 72 HA ALA 72 3.458 -10.210 23.512 582 HB1 ALA 72 HB1 ALA 72 5.425 -9.928 24.494 583 HB2 ALA 72 HB2 ALA 72 6.230 -10.433 23.008 584 HB3 ALA 72 HB3 ALA 72 5.879 -8.727 23.284 585 H VAL 73 H VAL 73 5.336 -8.520 20.987 586 HA VAL 73 HA VAL 73 4.140 -6.022 21.331 587 HB VAL 73 HB VAL 73 5.530 -7.277 18.979 588 HG11 VAL 73 HG11 VAL 73 4.090 -5.821 17.859 589 HG12 VAL 73 HG12 VAL 73 4.173 -4.607 19.138 590 HG13 VAL 73 HG13 VAL 73 5.560 -4.872 18.081 591 HG21 VAL 73 HG21 VAL 73 6.415 -4.842 20.461 592 HG22 VAL 73 HG22 VAL 73 6.640 -6.432 21.190 593 HG23 VAL 73 HG23 VAL 73 7.378 -6.065 19.632 594 H LYS 74 H LYS 74 3.241 -8.728 19.245 595 HA LYS 74 HA LYS 74 1.228 -7.438 17.777 596 HB2 LYS 74 HB2 LYS 74 2.346 -9.842 17.584 597 HB3 LYS 74 HB3 LYS 74 0.915 -10.316 18.490 598 HG2 LYS 74 HG2 LYS 74 -0.533 -9.553 16.776 599 HG3 LYS 74 HG3 LYS 74 0.790 -8.745 15.931 600 HD2 LYS 74 HD2 LYS 74 0.754 -10.631 14.681 601 HD3 LYS 74 HD3 LYS 74 1.755 -11.252 15.995 602 HE2 LYS 74 HE2 LYS 74 -0.510 -11.905 17.074 603 HE3 LYS 74 HE3 LYS 74 -1.151 -11.718 15.443 604 HZ1 LYS 74 HZ1 LYS 74 1.028 -13.553 16.280 605 HZ2 LYS 74 HZ2 LYS 74 0.526 -13.325 14.681 606 HZ3 LYS 74 HZ3 LYS 74 -0.538 -13.994 15.813 607 H VAL 75 H VAL 75 1.132 -9.159 20.864 608 HA VAL 75 HA VAL 75 -1.655 -9.142 21.221 609 HB VAL 75 HB VAL 75 0.530 -9.109 23.307 610 HG11 VAL 75 HG11 VAL 75 -1.438 -8.439 24.418 611 HG12 VAL 75 HG12 VAL 75 -2.431 -9.587 23.517 612 HG13 VAL 75 HG13 VAL 75 -1.287 -10.169 24.728 613 HG21 VAL 75 HG21 VAL 75 0.833 -11.278 22.906 614 HG22 VAL 75 HG22 VAL 75 -0.902 -11.594 22.941 615 HG23 VAL 75 HG23 VAL 75 -0.133 -11.065 21.445 616 H VAL 76 H VAL 76 0.696 -6.641 21.487 617 HA VAL 76 HA VAL 76 -0.870 -4.935 23.199 618 HB VAL 76 HB VAL 76 1.742 -4.740 21.818 619 HG11 VAL 76 HG11 VAL 76 0.000 -2.358 22.381 620 HG12 VAL 76 HG12 VAL 76 1.761 -2.244 22.338 621 HG13 VAL 76 HG13 VAL 76 0.874 -2.759 20.902 622 HG21 VAL 76 HG21 VAL 76 2.131 -3.501 24.096 623 HG22 VAL 76 HG22 VAL 76 0.609 -4.275 24.538 624 HG23 VAL 76 HG23 VAL 76 1.987 -5.258 24.044 625 H LEU 77 H LEU 77 0.057 -4.867 19.759 626 HA LEU 77 HA LEU 77 -1.594 -2.646 19.125 627 HB2 LEU 77 HB2 LEU 77 -1.214 -3.416 16.754 628 HB3 LEU 77 HB3 LEU 77 0.228 -3.046 17.697 629 HG LEU 77 HG LEU 77 -0.140 -5.774 18.060 630 HD11 LEU 77 HD11 LEU 77 -0.095 -5.690 15.166 631 HD12 LEU 77 HD12 LEU 77 -1.629 -5.119 15.821 632 HD13 LEU 77 HD13 LEU 77 -1.027 -6.719 16.254 633 HD21 LEU 77 HD21 LEU 77 2.000 -4.721 17.838 634 HD22 LEU 77 HD22 LEU 77 1.642 -4.229 16.183 635 HD23 LEU 77 HD23 LEU 77 1.848 -5.938 16.570 636 H LYS 78 H LYS 78 -1.973 -6.148 18.670 637 HA LYS 78 HA LYS 78 -4.372 -6.201 17.315 638 HB2 LYS 78 HB2 LYS 78 -2.817 -8.134 18.087 639 HB3 LYS 78 HB3 LYS 78 -3.821 -8.151 19.531 640 HG2 LYS 78 HG2 LYS 78 -5.142 -8.255 16.867 641 HG3 LYS 78 HG3 LYS 78 -4.353 -9.705 17.491 642 HD2 LYS 78 HD2 LYS 78 -6.416 -8.110 19.006 643 HD3 LYS 78 HD3 LYS 78 -6.781 -9.543 18.042 644 HE2 LYS 78 HE2 LYS 78 -4.592 -10.026 19.866 645 HE3 LYS 78 HE3 LYS 78 -6.026 -9.463 20.723 646 HZ1 LYS 78 HZ1 LYS 78 -7.272 -11.211 19.441 647 HZ2 LYS 78 HZ2 LYS 78 -6.195 -11.791 20.608 648 HZ3 LYS 78 HZ3 LYS 78 -5.772 -11.837 18.971 649 H GLY 79 H GLY 79 -3.821 -5.885 20.799 650 HA2 GLY 79 HA2 GLY 79 -6.671 -5.776 21.341 651 HA3 GLY 79 HA3 GLY 79 -5.377 -5.644 22.522 652 H LEU 80 H LEU 80 -4.214 -3.559 20.523 653 HA LEU 80 HA LEU 80 -5.261 -1.288 21.907 654 HB2 LEU 80 HB2 LEU 80 -2.997 -1.900 20.300 655 HB3 LEU 80 HB3 LEU 80 -3.796 -0.489 19.610 656 HG LEU 80 HG LEU 80 -3.546 0.725 21.674 657 HD11 LEU 80 HD11 LEU 80 -3.871 -1.180 23.199 658 HD12 LEU 80 HD12 LEU 80 -2.461 -0.209 23.620 659 HD13 LEU 80 HD13 LEU 80 -2.253 -1.755 22.798 660 HD21 LEU 80 HD21 LEU 80 -0.858 0.039 21.845 661 HD22 LEU 80 HD22 LEU 80 -1.572 1.272 20.806 662 HD23 LEU 80 HD23 LEU 80 -1.317 -0.362 20.190 663 H LYS 81 H LYS 81 -5.836 -2.798 18.820 664 HA LYS 81 HA LYS 81 -7.000 -0.756 17.373 665 HB2 LYS 81 HB2 LYS 81 -7.068 -3.669 17.346 666 HB3 LYS 81 HB3 LYS 81 -8.579 -2.963 16.787 667 HG2 LYS 81 HG2 LYS 81 -6.119 -1.787 15.671 668 HG3 LYS 81 HG3 LYS 81 -6.478 -3.448 15.192 669 HD2 LYS 81 HD2 LYS 81 -8.917 -2.224 14.947 670 HD3 LYS 81 HD3 LYS 81 -7.803 -0.947 14.453 671 HE2 LYS 81 HE2 LYS 81 -7.852 -1.930 12.444 672 HE3 LYS 81 HE3 LYS 81 -6.791 -3.140 13.163 673 HZ1 LYS 81 HZ1 LYS 81 -8.474 -4.407 12.268 674 HZ2 LYS 81 HZ2 LYS 81 -9.685 -3.289 12.647 675 HZ3 LYS 81 HZ3 LYS 81 -8.999 -4.238 13.868 676 H VAL 82 H VAL 82 -8.681 -3.057 19.519 677 HA VAL 82 HA VAL 82 -11.213 -1.872 19.334 678 HB VAL 82 HB VAL 82 -10.229 -3.278 21.806 679 HG11 VAL 82 HG11 VAL 82 -12.367 -3.132 22.383 680 HG12 VAL 82 HG12 VAL 82 -12.762 -2.364 20.844 681 HG13 VAL 82 HG13 VAL 82 -12.788 -4.122 20.986 682 HG21 VAL 82 HG21 VAL 82 -9.461 -4.725 20.129 683 HG22 VAL 82 HG22 VAL 82 -11.032 -5.380 20.591 684 HG23 VAL 82 HG23 VAL 82 -10.872 -4.435 19.110 685 H MET 83 H MET 83 -8.449 -0.560 20.589 686 HA MET 83 HA MET 83 -9.895 1.056 22.575 687 HB2 MET 83 HB2 MET 83 -7.654 -0.262 23.038 688 HB3 MET 83 HB3 MET 83 -6.922 1.151 22.289 689 HG2 MET 83 HG2 MET 83 -6.884 1.868 24.423 690 HG3 MET 83 HG3 MET 83 -8.517 2.392 24.019 691 HE1 MET 83 HE1 MET 83 -7.634 -1.573 24.762 692 HE2 MET 83 HE2 MET 83 -6.364 -0.448 25.246 693 HE3 MET 83 HE3 MET 83 -7.320 -1.281 26.473 694 H ASN 84 H ASN 84 -8.848 1.137 19.422 695 HA ASN 84 HA ASN 84 -8.753 2.790 17.860 696 HB2 ASN 84 HB2 ASN 84 -9.613 4.729 20.008 697 HB3 ASN 84 HB3 ASN 84 -9.844 4.870 18.268 698 HD21 ASN 84 HD21 ASN 84 -11.784 4.947 20.455 699 HD22 ASN 84 HD22 ASN 84 -12.935 3.705 20.108 700 H LEU 85 H LEU 85 -6.458 2.105 19.442 701 HA LEU 85 HA LEU 85 -5.050 4.622 19.860 702 HB2 LEU 85 HB2 LEU 85 -4.708 1.835 20.694 703 HB3 LEU 85 HB3 LEU 85 -3.205 2.651 20.270 704 HG LEU 85 HG LEU 85 -3.339 3.004 22.547 705 HD11 LEU 85 HD11 LEU 85 -4.901 5.411 21.700 706 HD12 LEU 85 HD12 LEU 85 -3.267 5.138 21.096 707 HD13 LEU 85 HD13 LEU 85 -3.552 5.294 22.829 708 HD21 LEU 85 HD21 LEU 85 -5.639 3.906 23.478 709 HD22 LEU 85 HD22 LEU 85 -5.331 2.179 23.297 710 HD23 LEU 85 HD23 LEU 85 -6.275 3.039 22.080 711 H LEU 86 H LEU 86 -5.861 3.736 17.170 712 HA LEU 86 HA LEU 86 -3.750 2.692 15.681 713 HB2 LEU 86 HB2 LEU 86 -6.038 4.505 15.027 714 HB3 LEU 86 HB3 LEU 86 -4.818 4.141 13.808 715 HG LEU 86 HG LEU 86 -5.602 1.659 14.827 716 HD11 LEU 86 HD11 LEU 86 -7.966 3.476 14.395 717 HD12 LEU 86 HD12 LEU 86 -7.545 2.604 15.869 718 HD13 LEU 86 HD13 LEU 86 -8.052 1.714 14.433 719 HD21 LEU 86 HD21 LEU 86 -5.491 1.317 12.640 720 HD22 LEU 86 HD22 LEU 86 -5.447 3.057 12.357 721 HD23 LEU 86 HD23 LEU 86 -6.995 2.213 12.422 722 H GLU 87 H GLU 87 -4.045 5.723 17.222 723 HA GLU 87 HA GLU 87 -2.571 7.432 15.623 724 HB2 GLU 87 HB2 GLU 87 -3.653 8.270 17.590 725 HB3 GLU 87 HB3 GLU 87 -2.708 7.215 18.630 726 HG2 GLU 87 HG2 GLU 87 -1.135 8.750 18.835 727 HG3 GLU 87 HG3 GLU 87 -0.943 8.843 17.086 728 H LEU 88 H LEU 88 -1.036 6.252 18.570 729 HA LEU 88 HA LEU 88 1.561 6.395 17.498 730 HB2 LEU 88 HB2 LEU 88 2.309 5.684 19.553 731 HB3 LEU 88 HB3 LEU 88 0.741 6.381 19.955 732 HG LEU 88 HG LEU 88 1.012 4.360 21.200 733 HD11 LEU 88 HD11 LEU 88 -0.752 3.147 19.250 734 HD12 LEU 88 HD12 LEU 88 -1.115 4.854 19.502 735 HD13 LEU 88 HD13 LEU 88 -1.100 3.744 20.873 736 HD21 LEU 88 HD21 LEU 88 2.536 3.496 19.085 737 HD22 LEU 88 HD22 LEU 88 1.091 2.493 18.965 738 HD23 LEU 88 HD23 LEU 88 2.028 2.515 20.459 739 H VAL 89 H VAL 89 -0.825 3.878 17.503 740 HA VAL 89 HA VAL 89 0.811 1.640 17.080 741 HB VAL 89 HB VAL 89 -2.043 2.271 16.471 742 HG11 VAL 89 HG11 VAL 89 -2.250 -0.101 15.601 743 HG12 VAL 89 HG12 VAL 89 -1.520 1.074 14.505 744 HG13 VAL 89 HG13 VAL 89 -0.501 -0.069 15.381 745 HG21 VAL 89 HG21 VAL 89 -0.531 0.369 18.220 746 HG22 VAL 89 HG22 VAL 89 -1.757 1.557 18.663 747 HG23 VAL 89 HG23 VAL 89 -2.225 0.076 17.828 748 H ASP 90 H ASP 90 -0.279 4.157 14.925 749 HA ASP 90 HA ASP 90 -0.072 3.126 12.433 750 HB2 ASP 90 HB2 ASP 90 -0.333 5.607 13.286 751 HB3 ASP 90 HB3 ASP 90 1.395 5.681 12.951 752 H GLN 91 H GLN 91 2.706 4.321 14.320 753 HA GLN 91 HA GLN 91 4.597 3.310 12.407 754 HB2 GLN 91 HB2 GLN 91 4.886 4.542 15.143 755 HB3 GLN 91 HB3 GLN 91 6.264 3.958 14.219 756 HG2 GLN 91 HG2 GLN 91 6.269 6.173 13.663 757 HG3 GLN 91 HG3 GLN 91 5.302 5.500 12.351 758 HE21 GLN 91 HE21 GLN 91 4.276 7.462 11.979 759 HE22 GLN 91 HE22 GLN 91 3.075 8.090 13.050 760 H LEU 92 H LEU 92 4.063 2.568 15.858 761 HA LEU 92 HA LEU 92 5.635 0.464 16.301 762 HB2 LEU 92 HB2 LEU 92 4.136 1.160 17.999 763 HB3 LEU 92 HB3 LEU 92 2.729 0.746 17.021 764 HG LEU 92 HG LEU 92 3.383 -0.772 19.009 765 HD11 LEU 92 HD11 LEU 92 1.979 -2.226 18.076 766 HD12 LEU 92 HD12 LEU 92 3.084 -2.562 16.743 767 HD13 LEU 92 HD13 LEU 92 1.996 -1.176 16.659 768 HD21 LEU 92 HD21 LEU 92 5.152 -2.177 18.840 769 HD22 LEU 92 HD22 LEU 92 5.799 -0.853 17.871 770 HD23 LEU 92 HD23 LEU 92 5.069 -2.252 17.080 771 H SER 93 H SER 93 2.452 0.127 14.731 772 HA SER 93 HA SER 93 2.676 -2.615 14.171 773 HB2 SER 93 HB2 SER 93 0.636 -2.384 13.204 774 HB3 SER 93 HB3 SER 93 0.692 -0.769 13.911 775 HG SER 93 HG SER 93 0.905 0.064 11.986 776 H HIS 94 H HIS 94 3.516 0.238 12.249 777 HA HIS 94 HA HIS 94 4.348 -1.261 9.965 778 HB2 HIS 94 HB2 HIS 94 4.365 1.583 10.794 779 HB3 HIS 94 HB3 HIS 94 5.582 1.112 9.611 780 HD1 HIS 94 HD1 HIS 94 2.321 -0.641 9.451 781 HD2 HIS 94 HD2 HIS 94 4.162 2.633 7.675 782 HE1 HIS 94 HE1 HIS 94 0.896 -0.066 7.461 783 H ILE 95 H ILE 95 5.658 -1.074 12.954 784 HA ILE 95 HA ILE 95 8.434 -1.189 11.990 785 HB ILE 95 HB ILE 95 7.491 -0.915 14.844 786 HG12 ILE 95 HG12 ILE 95 7.687 1.041 12.707 787 HG13 ILE 95 HG13 ILE 95 7.002 1.212 14.320 788 HG21 ILE 95 HG21 ILE 95 9.742 -1.902 14.486 789 HG22 ILE 95 HG22 ILE 95 10.212 -0.427 13.644 790 HG23 ILE 95 HG23 ILE 95 9.774 -0.366 15.351 791 HD11 ILE 95 HD11 ILE 95 9.290 1.587 15.190 792 HD12 ILE 95 HD12 ILE 95 9.881 1.559 13.528 793 HD13 ILE 95 HD13 ILE 95 8.752 2.812 14.042 794 H CYS 96 H CYS 96 5.953 -2.960 13.716 795 HA CYS 96 HA CYS 96 7.775 -5.247 14.003 796 HB2 CYS 96 HB2 CYS 96 6.460 -4.317 16.000 797 HB3 CYS 96 HB3 CYS 96 5.036 -5.015 15.237 798 HG CYS 96 HG CYS 96 6.437 -7.616 15.171 799 H LEU 97 H LEU 97 5.897 -4.140 11.704 800 HA LEU 97 HA LEU 97 4.844 -5.059 9.909 801 HB2 LEU 97 HB2 LEU 97 6.505 -7.169 10.964 802 HB3 LEU 97 HB3 LEU 97 5.032 -7.824 10.253 803 HG LEU 97 HG LEU 97 6.675 -5.871 8.699 804 HD11 LEU 97 HD11 LEU 97 8.315 -7.322 8.167 805 HD12 LEU 97 HD12 LEU 97 7.262 -8.730 8.294 806 HD13 LEU 97 HD13 LEU 97 7.938 -8.001 9.750 807 HD21 LEU 97 HD21 LEU 97 5.582 -6.727 6.872 808 HD22 LEU 97 HD22 LEU 97 4.339 -6.903 8.111 809 HD23 LEU 97 HD23 LEU 97 5.309 -8.296 7.630 810 H HIS 98 H HIS 98 2.709 -4.930 9.850 811 HA HIS 98 HA HIS 98 1.080 -6.023 11.966 812 HB2 HIS 98 HB2 HIS 98 -0.766 -4.909 10.888 813 HB3 HIS 98 HB3 HIS 98 0.613 -3.813 10.897 814 HD1 HIS 98 HD1 HIS 98 -1.496 -5.879 8.588 815 HD2 HIS 98 HD2 HIS 98 1.607 -3.124 8.389 816 HE1 HIS 98 HE1 HIS 98 -1.308 -5.253 6.160 817 H ASP 99 H ASP 99 2.067 -6.945 8.790 818 HA ASP 99 HA ASP 99 0.005 -8.610 7.977 819 HB2 ASP 99 HB2 ASP 99 2.421 -7.963 6.951 820 HB3 ASP 99 HB3 ASP 99 2.748 -9.609 7.487 821 H TYR 100 H TYR 100 2.289 -9.025 10.528 822 HA TYR 100 HA TYR 100 2.113 -11.860 10.743 823 HB2 TYR 100 HB2 TYR 100 2.978 -9.735 12.709 824 HB3 TYR 100 HB3 TYR 100 3.075 -11.462 13.038 825 HD1 TYR 100 HD2 TYR 100 3.962 -12.441 10.362 826 HD2 TYR 100 HD1 TYR 100 5.232 -9.093 12.660 827 HE1 TYR 100 HE2 TYR 100 6.162 -12.530 9.265 828 HE2 TYR 100 HE1 TYR 100 7.435 -9.172 11.569 829 HH TYR 100 HH TYR 100 8.047 -11.074 8.801 830 H ARG 101 H ARG 101 0.165 -9.212 11.839 831 HA ARG 101 HA ARG 101 -1.365 -10.958 13.625 832 HB2 ARG 101 HB2 ARG 101 -0.622 -8.665 14.371 833 HB3 ARG 101 HB3 ARG 101 -1.725 -7.994 13.177 834 HG2 ARG 101 HG2 ARG 101 -3.320 -9.744 14.573 835 HG3 ARG 101 HG3 ARG 101 -2.265 -9.074 15.819 836 HD2 ARG 101 HD2 ARG 101 -3.497 -7.228 15.843 837 HD3 ARG 101 HD3 ARG 101 -3.058 -6.931 14.161 838 HE ARG 101 HE ARG 101 -5.218 -8.800 14.480 839 HH11 ARG 101 HH11 ARG 101 -4.353 -5.437 14.230 840 HH12 ARG 101 HH12 ARG 101 -5.912 -4.944 13.657 841 HH21 ARG 101 HH21 ARG 101 -7.275 -8.163 13.726 842 HH22 ARG 101 HH22 ARG 101 -7.573 -6.495 13.372 843 H GLU 102 H GLU 102 -1.593 -11.600 10.948 844 HA GLU 102 HA GLU 102 -3.077 -11.903 9.242 845 HB2 GLU 102 HB2 GLU 102 -4.691 -11.834 11.734 846 HB3 GLU 102 HB3 GLU 102 -5.572 -11.750 10.215 847 HG2 GLU 102 HG2 GLU 102 -5.538 -14.004 10.582 848 HG3 GLU 102 HG3 GLU 102 -4.105 -13.806 9.574 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -0.758 -4.498 -4.845 2 HA2 GLY 1 HA2 GLY 1 1.329 -4.742 -5.930 3 HA3 GLY 1 HA3 GLY 1 1.366 -3.005 -6.196 4 H ALA 2 H ALA 2 2.170 -1.647 -4.603 5 HA ALA 2 HA ALA 2 3.455 -1.018 -2.832 6 HB1 ALA 2 HB1 ALA 2 2.393 -1.639 -0.987 7 HB2 ALA 2 HB2 ALA 2 1.716 -3.048 -1.806 8 HB3 ALA 2 HB3 ALA 2 3.291 -3.157 -1.019 9 H MET 3 H MET 3 5.508 -1.414 -1.819 10 HA MET 3 HA MET 3 6.928 -3.824 -2.670 11 HB2 MET 3 HB2 MET 3 7.755 -1.001 -3.338 12 HB3 MET 3 HB3 MET 3 8.879 -2.353 -3.366 13 HG2 MET 3 HG2 MET 3 6.335 -2.440 -4.935 14 HG3 MET 3 HG3 MET 3 7.760 -1.612 -5.557 15 HE1 MET 3 HE1 MET 3 10.404 -4.439 -5.589 16 HE2 MET 3 HE2 MET 3 9.945 -3.144 -6.695 17 HE3 MET 3 HE3 MET 3 10.091 -2.819 -4.967 18 H ALA 4 H ALA 4 5.940 -2.664 -0.118 19 HA ALA 4 HA ALA 4 8.503 -2.301 1.284 20 HB1 ALA 4 HB1 ALA 4 7.291 -0.442 1.861 21 HB2 ALA 4 HB2 ALA 4 5.747 -1.295 1.805 22 HB3 ALA 4 HB3 ALA 4 6.842 -1.541 3.165 23 H MET 5 H MET 5 8.252 -4.830 0.714 24 HA MET 5 HA MET 5 6.676 -6.311 2.602 25 HB2 MET 5 HB2 MET 5 8.338 -6.891 0.287 26 HB3 MET 5 HB3 MET 5 8.605 -8.042 1.589 27 HG2 MET 5 HG2 MET 5 6.341 -8.701 1.604 28 HG3 MET 5 HG3 MET 5 5.864 -7.342 0.589 29 HE1 MET 5 HE1 MET 5 8.384 -10.115 0.827 30 HE2 MET 5 HE2 MET 5 8.312 -10.973 -0.713 31 HE3 MET 5 HE3 MET 5 9.210 -9.460 -0.588 32 H ALA 6 H ALA 6 9.666 -4.734 2.715 33 HA ALA 6 HA ALA 6 11.514 -4.906 4.081 34 HB1 ALA 6 HB1 ALA 6 9.668 -5.469 6.340 35 HB2 ALA 6 HB2 ALA 6 10.965 -4.281 6.207 36 HB3 ALA 6 HB3 ALA 6 9.421 -3.993 5.406 37 H LYS 7 H LYS 7 11.621 -6.318 6.617 38 HA LYS 7 HA LYS 7 11.413 -9.133 5.921 39 HB2 LYS 7 HB2 LYS 7 13.781 -7.849 5.389 40 HB3 LYS 7 HB3 LYS 7 14.063 -8.486 7.004 41 HG2 LYS 7 HG2 LYS 7 14.134 -10.620 6.296 42 HG3 LYS 7 HG3 LYS 7 12.873 -10.374 5.085 43 HD2 LYS 7 HD2 LYS 7 15.008 -8.847 4.178 44 HD3 LYS 7 HD3 LYS 7 15.757 -10.321 4.796 45 HE2 LYS 7 HE2 LYS 7 13.539 -11.219 3.397 46 HE3 LYS 7 HE3 LYS 7 14.166 -9.903 2.406 47 HZ1 LYS 7 HZ1 LYS 7 15.276 -12.510 2.910 48 HZ2 LYS 7 HZ2 LYS 7 16.400 -11.258 3.079 49 HZ3 LYS 7 HZ3 LYS 7 15.556 -11.445 1.625 50 H ALA 8 H ALA 8 12.855 -6.914 8.313 51 HA ALA 8 HA ALA 8 11.156 -7.771 10.409 52 HB1 ALA 8 HB1 ALA 8 12.518 -9.800 10.265 53 HB2 ALA 8 HB2 ALA 8 13.974 -8.839 10.527 54 HB3 ALA 8 HB3 ALA 8 12.759 -8.963 11.799 55 H ARG 9 H ARG 9 10.905 -5.786 11.228 56 HA ARG 9 HA ARG 9 13.127 -3.945 11.424 57 HB2 ARG 9 HB2 ARG 9 10.336 -3.552 12.501 58 HB3 ARG 9 HB3 ARG 9 11.519 -2.315 12.096 59 HG2 ARG 9 HG2 ARG 9 10.284 -4.169 10.075 60 HG3 ARG 9 HG3 ARG 9 9.654 -2.566 10.461 61 HD2 ARG 9 HD2 ARG 9 12.428 -2.294 9.984 62 HD3 ARG 9 HD3 ARG 9 11.768 -3.287 8.685 63 HE ARG 9 HE ARG 9 10.137 -1.016 9.140 64 HH11 ARG 9 HH11 ARG 9 13.169 -1.990 7.733 65 HH12 ARG 9 HH12 ARG 9 13.201 -0.694 6.583 66 HH21 ARG 9 HH21 ARG 9 10.168 0.694 7.630 67 HH22 ARG 9 HH22 ARG 9 11.494 0.832 6.526 68 H LYS 10 H LYS 10 13.049 -2.604 13.624 69 HA LYS 10 HA LYS 10 12.878 -4.417 15.913 70 HB2 LYS 10 HB2 LYS 10 15.361 -3.090 14.894 71 HB3 LYS 10 HB3 LYS 10 15.164 -3.338 16.624 72 HG2 LYS 10 HG2 LYS 10 14.679 -5.667 14.864 73 HG3 LYS 10 HG3 LYS 10 16.346 -5.115 15.043 74 HD2 LYS 10 HD2 LYS 10 14.991 -5.204 17.594 75 HD3 LYS 10 HD3 LYS 10 14.924 -6.769 16.781 76 HE2 LYS 10 HE2 LYS 10 17.542 -5.493 16.620 77 HE3 LYS 10 HE3 LYS 10 17.026 -5.813 18.275 78 HZ1 LYS 10 HZ1 LYS 10 16.824 -7.911 16.214 79 HZ2 LYS 10 HZ2 LYS 10 16.925 -8.077 17.894 80 HZ3 LYS 10 HZ3 LYS 10 18.292 -7.628 17.005 81 HA PRO 11 HA PRO 11 11.486 0.051 16.570 82 HB2 PRO 11 HB2 PRO 11 8.856 -0.488 16.973 83 HB3 PRO 11 HB3 PRO 11 9.532 -0.145 15.376 84 HG2 PRO 11 HG2 PRO 11 8.878 -2.784 16.629 85 HG3 PRO 11 HG3 PRO 11 8.577 -2.226 14.973 86 HD2 PRO 11 HD2 PRO 11 10.652 -3.845 15.610 87 HD3 PRO 11 HD3 PRO 11 10.742 -2.647 14.303 88 H ARG 12 H ARG 12 12.837 -0.544 18.485 89 HA ARG 12 HA ARG 12 11.562 -1.820 20.717 90 HB2 ARG 12 HB2 ARG 12 14.116 -0.209 20.569 91 HB3 ARG 12 HB3 ARG 12 13.593 -1.154 21.957 92 HG2 ARG 12 HG2 ARG 12 13.504 -2.998 19.944 93 HG3 ARG 12 HG3 ARG 12 14.888 -2.003 19.485 94 HD2 ARG 12 HD2 ARG 12 14.461 -3.350 22.150 95 HD3 ARG 12 HD3 ARG 12 15.584 -3.865 20.892 96 HE ARG 12 HE ARG 12 15.954 -1.728 22.781 97 HH11 ARG 12 HH11 ARG 12 16.875 -3.004 19.675 98 HH12 ARG 12 HH12 ARG 12 18.401 -2.185 19.646 99 HH21 ARG 12 HH21 ARG 12 17.961 -0.645 22.753 100 HH22 ARG 12 HH22 ARG 12 19.018 -0.844 21.397 101 H GLU 13 H GLU 13 12.532 1.520 19.964 102 HA GLU 13 HA GLU 13 11.367 2.601 22.335 103 HB2 GLU 13 HB2 GLU 13 12.970 3.550 20.160 104 HB3 GLU 13 HB3 GLU 13 11.593 4.624 20.361 105 HG2 GLU 13 HG2 GLU 13 12.271 4.501 22.892 106 HG3 GLU 13 HG3 GLU 13 13.837 4.047 22.223 107 H ALA 14 H ALA 14 10.123 1.630 19.318 108 HA ALA 14 HA ALA 14 7.910 3.428 19.170 109 HB1 ALA 14 HB1 ALA 14 7.581 0.820 17.876 110 HB2 ALA 14 HB2 ALA 14 7.486 2.447 17.199 111 HB3 ALA 14 HB3 ALA 14 9.056 1.678 17.429 112 H LEU 15 H LEU 15 8.270 0.059 20.254 113 HA LEU 15 HA LEU 15 5.582 -0.347 20.960 114 HB2 LEU 15 HB2 LEU 15 6.262 -2.387 21.578 115 HB3 LEU 15 HB3 LEU 15 7.793 -1.906 20.848 116 HG LEU 15 HG LEU 15 8.065 -1.008 23.424 117 HD11 LEU 15 HD11 LEU 15 7.218 -3.719 24.033 118 HD12 LEU 15 HD12 LEU 15 5.877 -2.676 23.558 119 HD13 LEU 15 HD13 LEU 15 6.919 -2.214 24.903 120 HD21 LEU 15 HD21 LEU 15 9.907 -2.053 22.591 121 HD22 LEU 15 HD22 LEU 15 8.977 -3.372 21.879 122 HD23 LEU 15 HD23 LEU 15 9.294 -3.352 23.614 123 H LEU 16 H LEU 16 8.276 1.078 22.691 124 HA LEU 16 HA LEU 16 6.974 1.143 25.234 125 HB2 LEU 16 HB2 LEU 16 9.222 2.927 24.344 126 HB3 LEU 16 HB3 LEU 16 8.821 2.419 25.983 127 HG LEU 16 HG LEU 16 9.821 0.539 23.850 128 HD11 LEU 16 HD11 LEU 16 11.264 2.558 25.176 129 HD12 LEU 16 HD12 LEU 16 11.895 1.238 24.192 130 HD13 LEU 16 HD13 LEU 16 11.712 1.030 25.934 131 HD21 LEU 16 HD21 LEU 16 8.827 -0.805 25.420 132 HD22 LEU 16 HD22 LEU 16 9.145 0.316 26.744 133 HD23 LEU 16 HD23 LEU 16 10.453 -0.671 26.090 134 H TRP 17 H TRP 17 7.352 3.412 22.560 135 HA TRP 17 HA TRP 17 6.102 5.595 23.923 136 HB2 TRP 17 HB2 TRP 17 7.456 5.181 21.440 137 HB3 TRP 17 HB3 TRP 17 5.900 5.937 21.107 138 HD1 TRP 17 HD1 TRP 17 6.371 8.432 20.782 139 HE1 TRP 17 HE1 TRP 17 7.682 10.241 22.060 140 HE3 TRP 17 HE3 TRP 17 8.493 5.499 24.392 141 HZ2 TRP 17 HZ2 TRP 17 9.391 10.403 24.301 142 HZ3 TRP 17 HZ3 TRP 17 9.953 6.559 26.065 143 HH2 TRP 17 HH2 TRP 17 10.392 8.960 26.018 144 H ALA 18 H ALA 18 5.020 3.003 21.832 145 HA ALA 18 HA ALA 18 2.420 4.085 21.347 146 HB1 ALA 18 HB1 ALA 18 3.418 1.252 21.079 147 HB2 ALA 18 HB2 ALA 18 1.896 1.874 20.441 148 HB3 ALA 18 HB3 ALA 18 3.429 2.482 19.815 149 H LEU 19 H LEU 19 3.489 1.294 23.303 150 HA LEU 19 HA LEU 19 1.071 0.779 24.558 151 HB2 LEU 19 HB2 LEU 19 2.285 -0.490 26.145 152 HB3 LEU 19 HB3 LEU 19 3.127 -0.642 24.604 153 HG LEU 19 HG LEU 19 4.624 1.275 25.548 154 HD11 LEU 19 HD11 LEU 19 3.112 0.337 27.932 155 HD12 LEU 19 HD12 LEU 19 3.692 1.951 27.523 156 HD13 LEU 19 HD13 LEU 19 4.821 0.732 28.114 157 HD21 LEU 19 HD21 LEU 19 5.188 -1.163 25.087 158 HD22 LEU 19 HD22 LEU 19 4.913 -1.439 26.808 159 HD23 LEU 19 HD23 LEU 19 6.179 -0.327 26.283 160 H SER 20 H SER 20 3.337 3.326 25.104 161 HA SER 20 HA SER 20 2.202 4.017 27.693 162 HB2 SER 20 HB2 SER 20 4.618 4.251 27.413 163 HB3 SER 20 HB3 SER 20 4.374 5.350 26.055 164 HG SER 20 HG SER 20 3.468 5.825 28.703 165 H ASP 21 H ASP 21 1.756 4.765 24.394 166 HA ASP 21 HA ASP 21 0.754 7.414 24.676 167 HB2 ASP 21 HB2 ASP 21 1.525 6.735 22.516 168 HB3 ASP 21 HB3 ASP 21 0.447 5.342 22.502 169 H LEU 22 H LEU 22 -0.523 4.352 25.412 170 HA LEU 22 HA LEU 22 -3.277 5.378 25.385 171 HB2 LEU 22 HB2 LEU 22 -3.693 2.837 25.929 172 HB3 LEU 22 HB3 LEU 22 -3.440 3.400 24.278 173 HG LEU 22 HG LEU 22 -1.002 2.568 25.702 174 HD11 LEU 22 HD11 LEU 22 -1.397 0.255 25.676 175 HD12 LEU 22 HD12 LEU 22 -2.902 0.436 24.776 176 HD13 LEU 22 HD13 LEU 22 -2.815 0.954 26.459 177 HD21 LEU 22 HD21 LEU 22 -1.122 3.234 23.313 178 HD22 LEU 22 HD22 LEU 22 -2.133 1.821 23.009 179 HD23 LEU 22 HD23 LEU 22 -0.471 1.614 23.563 180 H GLU 23 H GLU 23 -4.652 4.875 27.225 181 HA GLU 23 HA GLU 23 -3.359 5.486 29.695 182 HB2 GLU 23 HB2 GLU 23 -6.209 4.810 28.981 183 HB3 GLU 23 HB3 GLU 23 -5.702 5.143 30.631 184 HG2 GLU 23 HG2 GLU 23 -4.683 7.272 29.212 185 HG3 GLU 23 HG3 GLU 23 -6.238 6.967 28.440 186 H GLU 24 H GLU 24 -3.437 4.229 31.641 187 HA GLU 24 HA GLU 24 -2.575 1.579 31.311 188 HB2 GLU 24 HB2 GLU 24 -2.164 1.600 33.553 189 HB3 GLU 24 HB3 GLU 24 -2.356 3.331 33.311 190 HG2 GLU 24 HG2 GLU 24 -4.577 1.501 34.181 191 HG3 GLU 24 HG3 GLU 24 -3.555 2.415 35.288 192 H ASN 25 H ASN 25 -5.732 2.949 31.937 193 HA ASN 25 HA ASN 25 -6.981 0.472 32.635 194 HB2 ASN 25 HB2 ASN 25 -7.713 3.232 32.561 195 HB3 ASN 25 HB3 ASN 25 -8.908 2.319 31.644 196 HD21 ASN 25 HD21 ASN 25 -9.267 3.685 34.143 197 HD22 ASN 25 HD22 ASN 25 -9.750 2.495 35.300 198 H ASP 26 H ASP 26 -5.623 1.315 29.846 199 HA ASP 26 HA ASP 26 -7.693 0.030 28.189 200 HB2 ASP 26 HB2 ASP 26 -5.538 2.015 27.462 201 HB3 ASP 26 HB3 ASP 26 -6.444 1.104 26.257 202 H PHE 27 H PHE 27 -4.149 0.369 28.411 203 HA PHE 27 HA PHE 27 -3.547 -1.864 26.818 204 HB2 PHE 27 HB2 PHE 27 -1.458 -1.111 27.096 205 HB3 PHE 27 HB3 PHE 27 -2.101 0.114 28.185 206 HD1 PHE 27 HD2 PHE 27 -1.946 -0.148 30.586 207 HD2 PHE 27 HD1 PHE 27 -0.375 -3.092 27.944 208 HE1 PHE 27 HE2 PHE 27 -0.680 -1.138 32.449 209 HE2 PHE 27 HE1 PHE 27 0.893 -4.088 29.803 210 HZ PHE 27 HZ PHE 27 0.743 -3.110 32.058 211 H LYS 28 H LYS 28 -4.119 -1.527 30.272 212 HA LYS 28 HA LYS 28 -3.268 -4.096 31.054 213 HB2 LYS 28 HB2 LYS 28 -3.546 -2.499 32.772 214 HB3 LYS 28 HB3 LYS 28 -5.181 -2.106 32.255 215 HG2 LYS 28 HG2 LYS 28 -4.709 -4.897 33.091 216 HG3 LYS 28 HG3 LYS 28 -4.633 -3.667 34.355 217 HD2 LYS 28 HD2 LYS 28 -6.873 -2.893 33.069 218 HD3 LYS 28 HD3 LYS 28 -6.932 -4.632 32.775 219 HE2 LYS 28 HE2 LYS 28 -6.220 -4.178 35.500 220 HE3 LYS 28 HE3 LYS 28 -7.649 -3.217 35.120 221 HZ1 LYS 28 HZ1 LYS 28 -7.539 -6.038 34.295 222 HZ2 LYS 28 HZ2 LYS 28 -8.885 -5.077 34.649 223 HZ3 LYS 28 HZ3 LYS 28 -7.908 -5.657 35.902 224 H LYS 29 H LYS 29 -6.458 -2.854 30.120 225 HA LYS 29 HA LYS 29 -7.983 -5.117 30.589 226 HB2 LYS 29 HB2 LYS 29 -8.204 -2.739 28.861 227 HB3 LYS 29 HB3 LYS 29 -9.148 -4.127 28.335 228 HG2 LYS 29 HG2 LYS 29 -10.452 -2.630 29.749 229 HG3 LYS 29 HG3 LYS 29 -10.257 -4.219 30.494 230 HD2 LYS 29 HD2 LYS 29 -8.761 -3.425 32.087 231 HD3 LYS 29 HD3 LYS 29 -8.357 -1.994 31.136 232 HE2 LYS 29 HE2 LYS 29 -9.723 -1.370 33.035 233 HE3 LYS 29 HE3 LYS 29 -10.620 -1.115 31.539 234 HZ1 LYS 29 HZ1 LYS 29 -10.981 -3.716 32.753 235 HZ2 LYS 29 HZ2 LYS 29 -12.124 -2.667 32.080 236 HZ3 LYS 29 HZ3 LYS 29 -11.581 -2.423 33.664 237 H LEU 30 H LEU 30 -5.919 -4.339 27.844 238 HA LEU 30 HA LEU 30 -6.725 -6.548 26.240 239 HB2 LEU 30 HB2 LEU 30 -4.010 -5.396 25.940 240 HB3 LEU 30 HB3 LEU 30 -5.202 -5.816 24.712 241 HG LEU 30 HG LEU 30 -5.158 -3.339 26.431 242 HD11 LEU 30 HD11 LEU 30 -4.386 -3.990 23.653 243 HD12 LEU 30 HD12 LEU 30 -3.733 -2.786 24.763 244 HD13 LEU 30 HD13 LEU 30 -5.242 -2.469 23.908 245 HD21 LEU 30 HD21 LEU 30 -7.361 -4.674 25.138 246 HD22 LEU 30 HD22 LEU 30 -7.087 -3.082 24.431 247 HD23 LEU 30 HD23 LEU 30 -7.362 -3.241 26.166 248 H LYS 31 H LYS 31 -3.791 -5.947 28.174 249 HA LYS 31 HA LYS 31 -2.560 -8.403 27.815 250 HB2 LYS 31 HB2 LYS 31 -2.541 -6.662 30.288 251 HB3 LYS 31 HB3 LYS 31 -1.392 -7.949 29.944 252 HG2 LYS 31 HG2 LYS 31 -1.778 -5.483 28.258 253 HG3 LYS 31 HG3 LYS 31 -0.501 -5.710 29.456 254 HD2 LYS 31 HD2 LYS 31 0.511 -7.429 28.201 255 HD3 LYS 31 HD3 LYS 31 -0.908 -7.619 27.168 256 HE2 LYS 31 HE2 LYS 31 0.843 -5.165 27.263 257 HE3 LYS 31 HE3 LYS 31 0.971 -6.445 26.057 258 HZ1 LYS 31 HZ1 LYS 31 -1.605 -5.854 25.853 259 HZ2 LYS 31 HZ2 LYS 31 -0.411 -5.089 24.933 260 HZ3 LYS 31 HZ3 LYS 31 -1.016 -4.340 26.324 261 H PHE 32 H PHE 32 -5.295 -7.563 29.778 262 HA PHE 32 HA PHE 32 -5.238 -9.795 31.522 263 HB2 PHE 32 HB2 PHE 32 -6.557 -7.719 31.929 264 HB3 PHE 32 HB3 PHE 32 -7.645 -8.195 30.629 265 HD1 PHE 32 HD2 PHE 32 -6.100 -10.172 33.382 266 HD2 PHE 32 HD1 PHE 32 -9.673 -8.715 31.587 267 HE1 PHE 32 HE2 PHE 32 -7.434 -11.479 34.984 268 HE2 PHE 32 HE1 PHE 32 -11.013 -10.019 33.186 269 HZ PHE 32 HZ PHE 32 -9.893 -11.405 34.887 270 H TYR 33 H TYR 33 -6.971 -9.172 28.485 271 HA TYR 33 HA TYR 33 -7.865 -11.953 28.414 272 HB2 TYR 33 HB2 TYR 33 -9.102 -9.607 27.679 273 HB3 TYR 33 HB3 TYR 33 -8.568 -10.254 26.132 274 HD1 TYR 33 HD2 TYR 33 -8.994 -12.967 26.031 275 HD2 TYR 33 HD1 TYR 33 -11.266 -10.132 28.245 276 HE1 TYR 33 HE2 TYR 33 -10.920 -14.496 26.001 277 HE2 TYR 33 HE1 TYR 33 -13.198 -11.653 28.222 278 HH TYR 33 HH TYR 33 -13.857 -13.787 27.806 279 H LEU 34 H LEU 34 -6.255 -9.642 26.225 280 HA LEU 34 HA LEU 34 -5.532 -11.406 24.224 281 HB2 LEU 34 HB2 LEU 34 -4.357 -8.862 25.248 282 HB3 LEU 34 HB3 LEU 34 -3.490 -9.781 24.019 283 HG LEU 34 HG LEU 34 -4.854 -7.941 23.091 284 HD11 LEU 34 HD11 LEU 34 -6.329 -10.105 21.915 285 HD12 LEU 34 HD12 LEU 34 -4.661 -10.592 22.214 286 HD13 LEU 34 HD13 LEU 34 -5.000 -9.159 21.244 287 HD21 LEU 34 HD21 LEU 34 -6.676 -8.259 24.855 288 HD22 LEU 34 HD22 LEU 34 -7.279 -9.553 23.820 289 HD23 LEU 34 HD23 LEU 34 -7.191 -7.901 23.207 290 H ARG 35 H ARG 35 -3.452 -10.340 26.923 291 HA ARG 35 HA ARG 35 -1.374 -12.156 26.412 292 HB2 ARG 35 HB2 ARG 35 -1.814 -10.083 28.193 293 HB3 ARG 35 HB3 ARG 35 -1.706 -11.495 29.235 294 HG2 ARG 35 HG2 ARG 35 0.380 -11.501 27.239 295 HG3 ARG 35 HG3 ARG 35 0.398 -10.020 28.198 296 HD2 ARG 35 HD2 ARG 35 0.528 -12.858 29.200 297 HD3 ARG 35 HD3 ARG 35 1.795 -11.635 29.281 298 HE ARG 35 HE ARG 35 -0.363 -11.980 31.105 299 HH11 ARG 35 HH11 ARG 35 1.694 -9.587 29.636 300 HH12 ARG 35 HH12 ARG 35 1.541 -8.463 30.945 301 HH21 ARG 35 HH21 ARG 35 -0.574 -10.508 32.835 302 HH22 ARG 35 HH22 ARG 35 0.251 -8.988 32.764 303 H ASP 36 H ASP 36 -4.282 -12.414 28.380 304 HA ASP 36 HA ASP 36 -3.773 -14.674 29.855 305 HB2 ASP 36 HB2 ASP 36 -5.840 -13.925 30.410 306 HB3 ASP 36 HB3 ASP 36 -6.194 -13.385 28.771 307 H MET 37 H MET 37 -5.111 -14.560 26.555 308 HA MET 37 HA MET 37 -4.801 -17.438 26.292 309 HB2 MET 37 HB2 MET 37 -6.136 -15.285 24.730 310 HB3 MET 37 HB3 MET 37 -5.618 -16.720 23.855 311 HG2 MET 37 HG2 MET 37 -6.858 -17.929 25.859 312 HG3 MET 37 HG3 MET 37 -7.734 -16.401 25.902 313 HE1 MET 37 HE1 MET 37 -10.211 -18.821 24.178 314 HE2 MET 37 HE2 MET 37 -8.831 -19.714 24.817 315 HE3 MET 37 HE3 MET 37 -9.508 -18.364 25.729 316 H THR 38 H THR 38 -3.859 -14.676 24.236 317 HA THR 38 HA THR 38 -2.066 -15.894 22.592 318 HB THR 38 HB THR 38 -0.971 -13.773 22.262 319 HG1 THR 38 HG1 THR 38 -2.018 -12.119 23.961 320 HG21 THR 38 HG21 THR 38 -3.238 -13.952 21.377 321 HG22 THR 38 HG22 THR 38 -2.908 -12.302 21.904 322 HG23 THR 38 HG23 THR 38 -3.894 -13.367 22.906 323 H LEU 39 H LEU 39 -1.166 -14.294 25.654 324 HA LEU 39 HA LEU 39 1.406 -15.655 25.613 325 HB2 LEU 39 HB2 LEU 39 0.206 -13.458 27.248 326 HB3 LEU 39 HB3 LEU 39 1.637 -14.310 27.825 327 HG LEU 39 HG LEU 39 2.301 -12.263 26.752 328 HD11 LEU 39 HD11 LEU 39 3.284 -14.764 26.130 329 HD12 LEU 39 HD12 LEU 39 4.080 -13.222 25.819 330 HD13 LEU 39 HD13 LEU 39 3.110 -13.983 24.558 331 HD21 LEU 39 HD21 LEU 39 0.289 -12.015 25.332 332 HD22 LEU 39 HD22 LEU 39 0.917 -13.276 24.271 333 HD23 LEU 39 HD23 LEU 39 1.795 -11.756 24.451 334 H SER 40 H SER 40 2.188 -16.553 27.763 335 HA SER 40 HA SER 40 0.074 -18.278 28.858 336 HB2 SER 40 HB2 SER 40 2.895 -18.938 29.440 337 HB3 SER 40 HB3 SER 40 1.569 -19.988 28.941 338 HG SER 40 HG SER 40 3.225 -19.751 27.338 339 H GLU 41 H GLU 41 1.483 -19.156 31.126 340 HA GLU 41 HA GLU 41 1.014 -16.897 32.882 341 HB2 GLU 41 HB2 GLU 41 1.304 -19.837 33.209 342 HB3 GLU 41 HB3 GLU 41 1.743 -18.831 34.583 343 HG2 GLU 41 HG2 GLU 41 -0.501 -17.765 34.433 344 HG3 GLU 41 HG3 GLU 41 -0.920 -18.945 33.192 345 H GLY 42 H GLY 42 2.551 -16.457 34.682 346 HA2 GLY 42 HA2 GLY 42 4.877 -16.726 35.461 347 HA3 GLY 42 HA3 GLY 42 5.345 -16.757 33.767 348 H GLN 43 H GLN 43 2.943 -14.565 35.075 349 HA GLN 43 HA GLN 43 4.868 -12.357 34.954 350 HB2 GLN 43 HB2 GLN 43 2.726 -11.115 33.912 351 HB3 GLN 43 HB3 GLN 43 3.980 -11.856 32.928 352 HG2 GLN 43 HG2 GLN 43 1.708 -12.414 32.177 353 HG3 GLN 43 HG3 GLN 43 2.653 -13.833 32.627 354 HE21 GLN 43 HE21 GLN 43 0.555 -11.468 34.248 355 HE22 GLN 43 HE22 GLN 43 -0.367 -12.635 35.127 356 HA PRO 44 HA PRO 44 2.920 -10.791 38.557 357 HB2 PRO 44 HB2 PRO 44 2.854 -8.113 38.114 358 HB3 PRO 44 HB3 PRO 44 4.348 -8.993 38.455 359 HG2 PRO 44 HG2 PRO 44 3.237 -8.094 35.824 360 HG3 PRO 44 HG3 PRO 44 4.906 -8.020 36.418 361 HD2 PRO 44 HD2 PRO 44 4.051 -9.940 34.711 362 HD3 PRO 44 HD3 PRO 44 5.314 -10.234 35.924 363 HA PRO 45 HA PRO 45 -1.402 -10.107 38.131 364 HB2 PRO 45 HB2 PRO 45 -1.954 -8.333 40.111 365 HB3 PRO 45 HB3 PRO 45 -1.541 -10.023 40.423 366 HG2 PRO 45 HG2 PRO 45 0.197 -7.590 40.570 367 HG3 PRO 45 HG3 PRO 45 0.100 -8.964 41.686 368 HD2 PRO 45 HD2 PRO 45 2.061 -8.727 39.834 369 HD3 PRO 45 HD3 PRO 45 1.425 -10.300 40.354 370 H LEU 46 H LEU 46 -3.028 -8.002 38.478 371 HA LEU 46 HA LEU 46 -2.165 -6.163 36.365 372 HB2 LEU 46 HB2 LEU 46 -4.843 -5.670 36.929 373 HB3 LEU 46 HB3 LEU 46 -4.190 -6.573 35.563 374 HG LEU 46 HG LEU 46 -4.316 -8.623 37.089 375 HD11 LEU 46 HD11 LEU 46 -5.165 -8.464 39.136 376 HD12 LEU 46 HD12 LEU 46 -6.544 -7.524 38.568 377 HD13 LEU 46 HD13 LEU 46 -5.031 -6.713 38.970 378 HD21 LEU 46 HD21 LEU 46 -6.190 -9.149 35.988 379 HD22 LEU 46 HD22 LEU 46 -6.056 -7.541 35.275 380 HD23 LEU 46 HD23 LEU 46 -7.089 -7.799 36.683 381 H ALA 47 H ALA 47 -1.720 -4.100 36.782 382 HA ALA 47 HA ALA 47 -2.863 -2.816 39.147 383 HB1 ALA 47 HB1 ALA 47 -0.951 -3.119 40.269 384 HB2 ALA 47 HB2 ALA 47 -0.049 -3.534 38.810 385 HB3 ALA 47 HB3 ALA 47 -0.314 -1.842 39.232 386 H ARG 48 H ARG 48 -3.244 -0.656 38.909 387 HA ARG 48 HA ARG 48 -3.233 0.397 36.259 388 HB2 ARG 48 HB2 ARG 48 -4.266 2.358 37.223 389 HB3 ARG 48 HB3 ARG 48 -4.987 0.919 37.931 390 HG2 ARG 48 HG2 ARG 48 -4.677 2.031 39.854 391 HG3 ARG 48 HG3 ARG 48 -3.034 1.400 39.721 392 HD2 ARG 48 HD2 ARG 48 -2.160 3.421 39.114 393 HD3 ARG 48 HD3 ARG 48 -3.655 3.961 38.351 394 HE ARG 48 HE ARG 48 -2.846 4.439 41.031 395 HH11 ARG 48 HH11 ARG 48 -5.641 3.819 39.050 396 HH12 ARG 48 HH12 ARG 48 -6.737 4.639 40.112 397 HH21 ARG 48 HH21 ARG 48 -4.279 5.521 42.437 398 HH22 ARG 48 HH22 ARG 48 -5.961 5.607 42.038 399 H GLY 49 H GLY 49 -1.113 0.642 39.003 400 HA2 GLY 49 HA2 GLY 49 0.275 2.981 38.037 401 HA3 GLY 49 HA3 GLY 49 0.740 1.978 39.404 402 H GLU 50 H GLU 50 0.246 -0.151 36.993 403 HA GLU 50 HA GLU 50 3.018 -0.650 36.622 404 HB2 GLU 50 HB2 GLU 50 0.491 -1.813 35.513 405 HB3 GLU 50 HB3 GLU 50 2.031 -2.233 34.776 406 HG2 GLU 50 HG2 GLU 50 2.842 -3.059 36.922 407 HG3 GLU 50 HG3 GLU 50 1.304 -2.629 37.670 408 H LEU 51 H LEU 51 0.740 1.328 34.997 409 HA LEU 51 HA LEU 51 2.619 1.692 32.756 410 HB2 LEU 51 HB2 LEU 51 0.214 0.816 32.355 411 HB3 LEU 51 HB3 LEU 51 -0.265 2.487 32.646 412 HG LEU 51 HG LEU 51 1.436 3.048 30.774 413 HD11 LEU 51 HD11 LEU 51 2.571 1.247 30.079 414 HD12 LEU 51 HD12 LEU 51 1.114 0.889 29.153 415 HD13 LEU 51 HD13 LEU 51 1.374 0.120 30.719 416 HD21 LEU 51 HD21 LEU 51 -0.286 2.968 29.166 417 HD22 LEU 51 HD22 LEU 51 -1.094 3.168 30.721 418 HD23 LEU 51 HD23 LEU 51 -1.056 1.585 29.944 419 H GLU 52 H GLU 52 0.370 3.343 34.940 420 HA GLU 52 HA GLU 52 1.150 5.966 34.124 421 HB2 GLU 52 HB2 GLU 52 -1.053 5.455 35.141 422 HB3 GLU 52 HB3 GLU 52 -0.246 5.096 36.660 423 HG2 GLU 52 HG2 GLU 52 -1.088 7.277 36.870 424 HG3 GLU 52 HG3 GLU 52 0.646 7.452 36.607 425 H GLY 53 H GLY 53 1.753 4.092 37.102 426 HA2 GLY 53 HA2 GLY 53 3.641 5.976 38.119 427 HA3 GLY 53 HA3 GLY 53 3.350 4.358 38.741 428 H LEU 54 H LEU 54 4.096 2.640 36.936 429 HA LEU 54 HA LEU 54 6.924 2.845 36.882 430 HB2 LEU 54 HB2 LEU 54 5.174 0.918 35.366 431 HB3 LEU 54 HB3 LEU 54 6.885 0.720 35.737 432 HG LEU 54 HG LEU 54 4.581 0.642 37.680 433 HD11 LEU 54 HD11 LEU 54 6.599 -1.504 37.123 434 HD12 LEU 54 HD12 LEU 54 5.120 -1.353 36.175 435 HD13 LEU 54 HD13 LEU 54 5.028 -1.638 37.913 436 HD21 LEU 54 HD21 LEU 54 6.596 -0.103 39.199 437 HD22 LEU 54 HD22 LEU 54 6.178 1.600 39.010 438 HD23 LEU 54 HD23 LEU 54 7.517 0.913 38.089 439 H ILE 55 H ILE 55 7.789 1.894 34.501 440 HA ILE 55 HA ILE 55 7.009 3.985 32.575 441 HB ILE 55 HB ILE 55 9.380 3.877 31.744 442 HG12 ILE 55 HG12 ILE 55 9.709 2.296 34.297 443 HG13 ILE 55 HG13 ILE 55 10.111 1.785 32.661 444 HG21 ILE 55 HG21 ILE 55 10.190 5.446 33.331 445 HG22 ILE 55 HG22 ILE 55 8.440 5.649 33.259 446 HG23 ILE 55 HG23 ILE 55 9.172 4.778 34.607 447 HD11 ILE 55 HD11 ILE 55 12.146 2.298 33.721 448 HD12 ILE 55 HD12 ILE 55 11.809 3.648 32.636 449 HD13 ILE 55 HD13 ILE 55 11.515 3.814 34.367 450 HA PRO 56 HA PRO 56 6.385 0.893 29.524 451 HB2 PRO 56 HB2 PRO 56 7.327 2.101 27.283 452 HB3 PRO 56 HB3 PRO 56 5.820 2.581 28.072 453 HG2 PRO 56 HG2 PRO 56 8.536 3.827 28.256 454 HG3 PRO 56 HG3 PRO 56 6.954 4.611 28.093 455 HD2 PRO 56 HD2 PRO 56 8.247 4.421 30.464 456 HD3 PRO 56 HD3 PRO 56 6.476 4.400 30.338 457 H VAL 57 H VAL 57 9.609 2.384 29.399 458 HA VAL 57 HA VAL 57 10.871 0.342 27.930 459 HB VAL 57 HB VAL 57 12.077 2.259 29.930 460 HG11 VAL 57 HG11 VAL 57 13.236 0.168 28.205 461 HG12 VAL 57 HG12 VAL 57 14.064 1.727 28.195 462 HG13 VAL 57 HG13 VAL 57 13.835 0.858 29.713 463 HG21 VAL 57 HG21 VAL 57 10.913 2.729 27.418 464 HG22 VAL 57 HG22 VAL 57 11.873 3.846 28.387 465 HG23 VAL 57 HG23 VAL 57 12.658 2.827 27.180 466 H ASP 58 H ASP 58 9.837 0.490 31.193 467 HA ASP 58 HA ASP 58 11.619 -1.659 32.043 468 HB2 ASP 58 HB2 ASP 58 11.143 0.282 33.548 469 HB3 ASP 58 HB3 ASP 58 9.465 -0.250 33.631 470 H LEU 59 H LEU 59 8.103 -1.044 32.131 471 HA LEU 59 HA LEU 59 7.327 -3.657 32.712 472 HB2 LEU 59 HB2 LEU 59 5.344 -2.680 32.786 473 HB3 LEU 59 HB3 LEU 59 6.070 -1.213 32.134 474 HG LEU 59 HG LEU 59 5.080 -3.390 30.323 475 HD11 LEU 59 HD11 LEU 59 2.957 -2.159 30.159 476 HD12 LEU 59 HD12 LEU 59 3.466 -1.131 31.498 477 HD13 LEU 59 HD13 LEU 59 3.209 -2.856 31.759 478 HD21 LEU 59 HD21 LEU 59 6.475 -1.064 29.875 479 HD22 LEU 59 HD22 LEU 59 4.806 -0.593 29.554 480 HD23 LEU 59 HD23 LEU 59 5.525 -1.946 28.679 481 H ALA 60 H ALA 60 8.091 -2.125 29.652 482 HA ALA 60 HA ALA 60 7.060 -4.109 27.938 483 HB1 ALA 60 HB1 ALA 60 7.681 -1.868 27.172 484 HB2 ALA 60 HB2 ALA 60 9.381 -2.243 27.461 485 HB3 ALA 60 HB3 ALA 60 8.481 -3.124 26.227 486 H GLU 61 H GLU 61 10.278 -3.669 29.370 487 HA GLU 61 HA GLU 61 11.603 -5.753 28.096 488 HB2 GLU 61 HB2 GLU 61 12.010 -4.125 30.485 489 HB3 GLU 61 HB3 GLU 61 12.677 -5.744 30.644 490 HG2 GLU 61 HG2 GLU 61 14.021 -5.442 28.677 491 HG3 GLU 61 HG3 GLU 61 13.270 -3.879 28.360 492 H LEU 62 H LEU 62 9.424 -5.800 30.844 493 HA LEU 62 HA LEU 62 9.954 -8.508 31.579 494 HB2 LEU 62 HB2 LEU 62 9.079 -6.986 33.215 495 HB3 LEU 62 HB3 LEU 62 7.670 -6.650 32.212 496 HG LEU 62 HG LEU 62 8.016 -9.468 32.994 497 HD11 LEU 62 HD11 LEU 62 8.745 -8.379 35.046 498 HD12 LEU 62 HD12 LEU 62 7.153 -9.109 35.251 499 HD13 LEU 62 HD13 LEU 62 7.302 -7.365 35.033 500 HD21 LEU 62 HD21 LEU 62 6.078 -8.586 31.740 501 HD22 LEU 62 HD22 LEU 62 5.671 -7.575 33.128 502 HD23 LEU 62 HD23 LEU 62 5.622 -9.333 33.271 503 H LEU 63 H LEU 63 7.426 -6.899 29.686 504 HA LEU 63 HA LEU 63 5.836 -9.153 29.194 505 HB2 LEU 63 HB2 LEU 63 5.809 -6.465 28.495 506 HB3 LEU 63 HB3 LEU 63 5.919 -7.315 26.955 507 HG LEU 63 HG LEU 63 3.615 -6.876 27.420 508 HD11 LEU 63 HD11 LEU 63 2.730 -9.004 27.110 509 HD12 LEU 63 HD12 LEU 63 3.941 -9.765 28.141 510 HD13 LEU 63 HD13 LEU 63 4.394 -9.165 26.546 511 HD21 LEU 63 HD21 LEU 63 4.017 -6.686 29.928 512 HD22 LEU 63 HD22 LEU 63 3.825 -8.439 29.977 513 HD23 LEU 63 HD23 LEU 63 2.499 -7.421 29.412 514 H ILE 64 H ILE 64 8.398 -7.698 27.192 515 HA ILE 64 HA ILE 64 8.332 -9.527 25.096 516 HB ILE 64 HB ILE 64 10.627 -8.849 24.592 517 HG12 ILE 64 HG12 ILE 64 10.535 -7.365 27.227 518 HG13 ILE 64 HG13 ILE 64 11.444 -8.846 26.942 519 HG21 ILE 64 HG21 ILE 64 8.407 -7.054 25.006 520 HG22 ILE 64 HG22 ILE 64 9.947 -6.206 25.146 521 HG23 ILE 64 HG23 ILE 64 9.571 -7.116 23.683 522 HD11 ILE 64 HD11 ILE 64 13.095 -7.328 26.630 523 HD12 ILE 64 HD12 ILE 64 12.468 -7.391 24.983 524 HD13 ILE 64 HD13 ILE 64 11.993 -6.076 26.058 525 H SER 65 H SER 65 9.778 -9.765 28.266 526 HA SER 65 HA SER 65 11.360 -12.081 27.662 527 HB2 SER 65 HB2 SER 65 11.142 -10.250 29.814 528 HB3 SER 65 HB3 SER 65 10.818 -11.854 30.470 529 HG SER 65 HG SER 65 12.824 -12.339 29.046 530 H LYS 66 H LYS 66 8.096 -11.489 28.583 531 HA LYS 66 HA LYS 66 7.338 -13.755 29.934 532 HB2 LYS 66 HB2 LYS 66 5.766 -11.976 29.523 533 HB3 LYS 66 HB3 LYS 66 5.852 -12.237 27.786 534 HG2 LYS 66 HG2 LYS 66 3.797 -13.144 28.648 535 HG3 LYS 66 HG3 LYS 66 4.836 -14.458 28.091 536 HD2 LYS 66 HD2 LYS 66 5.619 -14.447 30.609 537 HD3 LYS 66 HD3 LYS 66 4.040 -13.699 30.861 538 HE2 LYS 66 HE2 LYS 66 3.488 -15.910 31.081 539 HE3 LYS 66 HE3 LYS 66 3.223 -15.691 29.352 540 HZ1 LYS 66 HZ1 LYS 66 4.633 -17.680 30.258 541 HZ2 LYS 66 HZ2 LYS 66 5.878 -16.535 30.260 542 HZ3 LYS 66 HZ3 LYS 66 5.066 -16.898 28.821 543 H TYR 67 H TYR 67 7.047 -13.394 26.394 544 HA TYR 67 HA TYR 67 7.756 -16.231 26.120 545 HB2 TYR 67 HB2 TYR 67 5.170 -15.413 25.898 546 HB3 TYR 67 HB3 TYR 67 5.711 -15.253 24.231 547 HD1 TYR 67 HD2 TYR 67 7.722 -17.578 24.350 548 HD2 TYR 67 HD1 TYR 67 3.655 -17.224 25.549 549 HE1 TYR 67 HE2 TYR 67 7.420 -19.996 24.018 550 HE2 TYR 67 HE1 TYR 67 3.342 -19.641 25.221 551 HH TYR 67 HH TYR 67 4.997 -21.492 23.491 552 H GLY 68 H GLY 68 7.372 -13.077 24.573 553 HA2 GLY 68 HA2 GLY 68 9.828 -13.255 23.197 554 HA3 GLY 68 HA3 GLY 68 8.524 -13.671 22.095 555 H GLU 69 H GLU 69 10.415 -11.346 22.233 556 HA GLU 69 HA GLU 69 8.951 -9.034 22.958 557 HB2 GLU 69 HB2 GLU 69 10.662 -7.805 21.667 558 HB3 GLU 69 HB3 GLU 69 11.368 -8.967 22.782 559 HG2 GLU 69 HG2 GLU 69 12.525 -9.819 21.107 560 HG3 GLU 69 HG3 GLU 69 11.015 -10.326 20.352 561 H LYS 70 H LYS 70 9.131 -10.952 20.047 562 HA LYS 70 HA LYS 70 8.066 -9.146 18.201 563 HB2 LYS 70 HB2 LYS 70 8.894 -11.763 18.130 564 HB3 LYS 70 HB3 LYS 70 7.162 -11.919 17.870 565 HG2 LYS 70 HG2 LYS 70 8.159 -11.769 15.737 566 HG3 LYS 70 HG3 LYS 70 7.389 -10.210 16.041 567 HD2 LYS 70 HD2 LYS 70 9.795 -9.635 17.000 568 HD3 LYS 70 HD3 LYS 70 10.273 -10.915 15.883 569 HE2 LYS 70 HE2 LYS 70 9.167 -9.729 14.053 570 HE3 LYS 70 HE3 LYS 70 8.678 -8.455 15.169 571 HZ1 LYS 70 HZ1 LYS 70 11.010 -7.964 15.571 572 HZ2 LYS 70 HZ2 LYS 70 10.647 -7.827 13.925 573 HZ3 LYS 70 HZ3 LYS 70 11.478 -9.185 14.497 574 H GLU 71 H GLU 71 6.201 -11.895 19.472 575 HA GLU 71 HA GLU 71 3.696 -10.923 18.868 576 HB2 GLU 71 HB2 GLU 71 3.948 -13.204 19.539 577 HB3 GLU 71 HB3 GLU 71 4.585 -12.736 21.110 578 HG2 GLU 71 HG2 GLU 71 2.417 -11.816 21.728 579 HG3 GLU 71 HG3 GLU 71 1.774 -12.256 20.147 580 H ALA 72 H ALA 72 5.798 -10.039 21.480 581 HA ALA 72 HA ALA 72 4.097 -8.998 23.368 582 HB1 ALA 72 HB1 ALA 72 6.275 -7.172 22.990 583 HB2 ALA 72 HB2 ALA 72 6.012 -8.346 24.281 584 HB3 ALA 72 HB3 ALA 72 6.840 -8.832 22.802 585 H VAL 73 H VAL 73 5.604 -7.040 20.789 586 HA VAL 73 HA VAL 73 4.028 -4.768 21.169 587 HB VAL 73 HB VAL 73 5.487 -5.776 18.734 588 HG11 VAL 73 HG11 VAL 73 3.764 -4.440 17.820 589 HG12 VAL 73 HG12 VAL 73 3.925 -3.230 19.095 590 HG13 VAL 73 HG13 VAL 73 5.195 -3.411 17.885 591 HG21 VAL 73 HG21 VAL 73 6.259 -4.417 21.108 592 HG22 VAL 73 HG22 VAL 73 7.261 -4.891 19.736 593 HG23 VAL 73 HG23 VAL 73 6.468 -3.316 19.746 594 H LYS 74 H LYS 74 3.454 -7.668 19.281 595 HA LYS 74 HA LYS 74 1.245 -6.706 17.798 596 HB2 LYS 74 HB2 LYS 74 2.334 -9.408 18.470 597 HB3 LYS 74 HB3 LYS 74 0.722 -9.293 17.774 598 HG2 LYS 74 HG2 LYS 74 3.029 -7.910 16.471 599 HG3 LYS 74 HG3 LYS 74 2.758 -9.637 16.222 600 HD2 LYS 74 HD2 LYS 74 0.494 -7.721 15.858 601 HD3 LYS 74 HD3 LYS 74 1.707 -7.886 14.587 602 HE2 LYS 74 HE2 LYS 74 0.175 -9.464 13.930 603 HE3 LYS 74 HE3 LYS 74 1.259 -10.445 14.915 604 HZ1 LYS 74 HZ1 LYS 74 -1.089 -9.170 16.150 605 HZ2 LYS 74 HZ2 LYS 74 -0.260 -10.568 16.620 606 HZ3 LYS 74 HZ3 LYS 74 -1.280 -10.603 15.271 607 H VAL 75 H VAL 75 1.506 -8.414 20.887 608 HA VAL 75 HA VAL 75 -1.227 -8.824 21.343 609 HB VAL 75 HB VAL 75 0.942 -9.598 22.673 610 HG11 VAL 75 HG11 VAL 75 1.044 -7.069 23.453 611 HG12 VAL 75 HG12 VAL 75 -0.074 -7.662 24.683 612 HG13 VAL 75 HG13 VAL 75 1.525 -8.390 24.517 613 HG21 VAL 75 HG21 VAL 75 -0.529 -10.775 23.882 614 HG22 VAL 75 HG22 VAL 75 -1.292 -9.326 24.535 615 HG23 VAL 75 HG23 VAL 75 -1.763 -9.931 22.947 616 H VAL 76 H VAL 76 0.650 -5.957 21.427 617 HA VAL 76 HA VAL 76 -1.100 -4.495 23.191 618 HB VAL 76 HB VAL 76 1.377 -3.900 21.684 619 HG11 VAL 76 HG11 VAL 76 -0.709 -1.822 22.287 620 HG12 VAL 76 HG12 VAL 76 1.002 -1.427 22.117 621 HG13 VAL 76 HG13 VAL 76 0.121 -2.133 20.762 622 HG21 VAL 76 HG21 VAL 76 2.001 -2.845 23.787 623 HG22 VAL 76 HG22 VAL 76 0.362 -3.066 24.401 624 HG23 VAL 76 HG23 VAL 76 1.377 -4.470 24.070 625 H LEU 77 H LEU 77 -0.362 -4.392 19.707 626 HA LEU 77 HA LEU 77 -2.402 -2.501 19.112 627 HB2 LEU 77 HB2 LEU 77 -1.970 -3.145 16.756 628 HB3 LEU 77 HB3 LEU 77 -0.526 -2.673 17.650 629 HG LEU 77 HG LEU 77 -0.558 -5.405 17.951 630 HD11 LEU 77 HD11 LEU 77 -2.358 -5.694 16.372 631 HD12 LEU 77 HD12 LEU 77 -0.855 -6.287 15.667 632 HD13 LEU 77 HD13 LEU 77 -1.505 -4.724 15.171 633 HD21 LEU 77 HD21 LEU 77 0.894 -3.441 16.276 634 HD22 LEU 77 HD22 LEU 77 1.102 -5.147 15.879 635 HD23 LEU 77 HD23 LEU 77 1.499 -4.562 17.496 636 H LYS 78 H LYS 78 -2.174 -6.027 18.821 637 HA LYS 78 HA LYS 78 -4.572 -6.549 17.544 638 HB2 LYS 78 HB2 LYS 78 -2.613 -8.109 18.453 639 HB3 LYS 78 HB3 LYS 78 -3.755 -8.355 19.768 640 HG2 LYS 78 HG2 LYS 78 -5.110 -8.602 17.259 641 HG3 LYS 78 HG3 LYS 78 -3.684 -9.642 17.277 642 HD2 LYS 78 HD2 LYS 78 -5.247 -11.037 18.223 643 HD3 LYS 78 HD3 LYS 78 -4.568 -10.279 19.665 644 HE2 LYS 78 HE2 LYS 78 -6.970 -10.295 19.835 645 HE3 LYS 78 HE3 LYS 78 -6.415 -8.635 19.622 646 HZ1 LYS 78 HZ1 LYS 78 -8.270 -10.019 18.083 647 HZ2 LYS 78 HZ2 LYS 78 -6.913 -9.786 17.101 648 HZ3 LYS 78 HZ3 LYS 78 -7.671 -8.458 17.824 649 H GLY 79 H GLY 79 -3.958 -6.148 21.020 650 HA2 GLY 79 HA2 GLY 79 -6.772 -6.456 21.647 651 HA3 GLY 79 HA3 GLY 79 -5.475 -6.130 22.788 652 H LEU 80 H LEU 80 -4.676 -3.885 20.811 653 HA LEU 80 HA LEU 80 -6.031 -1.805 22.222 654 HB2 LEU 80 HB2 LEU 80 -3.884 -2.013 20.221 655 HB3 LEU 80 HB3 LEU 80 -4.822 -0.522 20.165 656 HG LEU 80 HG LEU 80 -3.327 -1.569 22.569 657 HD11 LEU 80 HD11 LEU 80 -1.652 -0.031 22.128 658 HD12 LEU 80 HD12 LEU 80 -2.664 0.912 21.034 659 HD13 LEU 80 HD13 LEU 80 -2.037 -0.656 20.524 660 HD21 LEU 80 HD21 LEU 80 -4.559 -0.167 23.767 661 HD22 LEU 80 HD22 LEU 80 -5.446 0.329 22.325 662 HD23 LEU 80 HD23 LEU 80 -3.963 1.170 22.783 663 H LYS 81 H LYS 81 -6.445 -3.379 19.144 664 HA LYS 81 HA LYS 81 -7.932 -1.526 17.732 665 HB2 LYS 81 HB2 LYS 81 -7.748 -4.483 17.767 666 HB3 LYS 81 HB3 LYS 81 -9.174 -3.803 16.995 667 HG2 LYS 81 HG2 LYS 81 -6.834 -2.402 16.117 668 HG3 LYS 81 HG3 LYS 81 -6.620 -4.141 15.898 669 HD2 LYS 81 HD2 LYS 81 -7.746 -3.826 13.981 670 HD3 LYS 81 HD3 LYS 81 -9.175 -3.784 15.017 671 HE2 LYS 81 HE2 LYS 81 -8.107 -1.199 15.095 672 HE3 LYS 81 HE3 LYS 81 -8.013 -1.697 13.407 673 HZ1 LYS 81 HZ1 LYS 81 -10.111 -0.768 13.595 674 HZ2 LYS 81 HZ2 LYS 81 -10.399 -1.436 15.122 675 HZ3 LYS 81 HZ3 LYS 81 -10.429 -2.423 13.748 676 H VAL 82 H VAL 82 -9.214 -4.082 19.867 677 HA VAL 82 HA VAL 82 -11.893 -3.273 19.752 678 HB VAL 82 HB VAL 82 -10.682 -4.557 22.187 679 HG11 VAL 82 HG11 VAL 82 -13.313 -3.982 21.320 680 HG12 VAL 82 HG12 VAL 82 -13.109 -5.734 21.276 681 HG13 VAL 82 HG13 VAL 82 -12.803 -4.846 22.769 682 HG21 VAL 82 HG21 VAL 82 -11.154 -6.738 20.939 683 HG22 VAL 82 HG22 VAL 82 -11.144 -5.757 19.473 684 HG23 VAL 82 HG23 VAL 82 -9.704 -5.842 20.487 685 H MET 83 H MET 83 -9.315 -1.611 21.006 686 HA MET 83 HA MET 83 -10.937 -0.259 23.050 687 HB2 MET 83 HB2 MET 83 -7.956 -0.349 22.588 688 HB3 MET 83 HB3 MET 83 -8.716 0.747 23.735 689 HG2 MET 83 HG2 MET 83 -8.868 -2.258 23.813 690 HG3 MET 83 HG3 MET 83 -7.836 -1.248 24.823 691 HE1 MET 83 HE1 MET 83 -10.157 1.181 26.053 692 HE2 MET 83 HE2 MET 83 -9.759 0.180 27.450 693 HE3 MET 83 HE3 MET 83 -8.539 0.498 26.215 694 H ASN 84 H ASN 84 -10.106 0.032 19.872 695 HA ASN 84 HA ASN 84 -10.272 1.713 18.348 696 HB2 ASN 84 HB2 ASN 84 -11.342 3.495 20.530 697 HB3 ASN 84 HB3 ASN 84 -11.696 3.546 18.806 698 HD21 ASN 84 HD21 ASN 84 -12.425 2.081 21.836 699 HD22 ASN 84 HD22 ASN 84 -13.782 1.152 21.305 700 H LEU 85 H LEU 85 -7.799 1.382 19.332 701 HA LEU 85 HA LEU 85 -6.806 4.100 19.872 702 HB2 LEU 85 HB2 LEU 85 -5.991 1.422 20.783 703 HB3 LEU 85 HB3 LEU 85 -4.672 2.511 20.359 704 HG LEU 85 HG LEU 85 -4.934 2.801 22.654 705 HD11 LEU 85 HD11 LEU 85 -5.056 4.912 21.200 706 HD12 LEU 85 HD12 LEU 85 -5.494 5.048 22.903 707 HD13 LEU 85 HD13 LEU 85 -6.755 4.969 21.672 708 HD21 LEU 85 HD21 LEU 85 -7.482 1.805 22.258 709 HD22 LEU 85 HD22 LEU 85 -7.758 3.447 22.838 710 HD23 LEU 85 HD23 LEU 85 -6.789 2.325 23.794 711 H LEU 86 H LEU 86 -7.522 2.965 17.248 712 HA LEU 86 HA LEU 86 -5.247 2.216 15.787 713 HB2 LEU 86 HB2 LEU 86 -6.521 2.743 13.817 714 HB3 LEU 86 HB3 LEU 86 -7.560 1.948 14.997 715 HG LEU 86 HG LEU 86 -7.797 4.763 15.350 716 HD11 LEU 86 HD11 LEU 86 -7.068 5.180 13.145 717 HD12 LEU 86 HD12 LEU 86 -8.829 5.241 13.094 718 HD13 LEU 86 HD13 LEU 86 -7.979 3.813 12.504 719 HD21 LEU 86 HD21 LEU 86 -10.163 4.148 14.487 720 HD22 LEU 86 HD22 LEU 86 -9.590 3.455 16.004 721 HD23 LEU 86 HD23 LEU 86 -9.560 2.491 14.527 722 H GLU 87 H GLU 87 -6.069 5.186 17.180 723 HA GLU 87 HA GLU 87 -5.106 7.084 15.414 724 HB2 GLU 87 HB2 GLU 87 -6.175 7.826 17.401 725 HB3 GLU 87 HB3 GLU 87 -5.033 6.965 18.424 726 HG2 GLU 87 HG2 GLU 87 -3.376 8.535 18.132 727 HG3 GLU 87 HG3 GLU 87 -4.053 9.121 16.613 728 H LEU 88 H LEU 88 -3.162 6.252 18.252 729 HA LEU 88 HA LEU 88 -0.728 6.894 16.936 730 HB2 LEU 88 HB2 LEU 88 0.288 6.577 18.958 731 HB3 LEU 88 HB3 LEU 88 -1.370 6.888 19.470 732 HG LEU 88 HG LEU 88 -0.501 5.095 20.785 733 HD11 LEU 88 HD11 LEU 88 -2.487 4.121 20.684 734 HD12 LEU 88 HD12 LEU 88 -1.997 3.245 19.234 735 HD13 LEU 88 HD13 LEU 88 -2.756 4.830 19.091 736 HD21 LEU 88 HD21 LEU 88 0.902 3.522 20.051 737 HD22 LEU 88 HD22 LEU 88 1.029 4.489 18.582 738 HD23 LEU 88 HD23 LEU 88 -0.112 3.146 18.657 739 H VAL 89 H VAL 89 -2.543 3.965 17.361 740 HA VAL 89 HA VAL 89 -0.537 2.060 16.937 741 HB VAL 89 HB VAL 89 -3.496 2.077 16.545 742 HG11 VAL 89 HG11 VAL 89 -2.947 0.833 14.636 743 HG12 VAL 89 HG12 VAL 89 -1.598 0.029 15.441 744 HG13 VAL 89 HG13 VAL 89 -3.257 -0.378 15.880 745 HG21 VAL 89 HG21 VAL 89 -3.250 1.398 18.662 746 HG22 VAL 89 HG22 VAL 89 -2.766 -0.152 17.972 747 HG23 VAL 89 HG23 VAL 89 -1.540 1.027 18.438 748 H ASP 90 H ASP 90 -2.262 4.124 14.717 749 HA ASP 90 HA ASP 90 -2.061 2.964 12.293 750 HB2 ASP 90 HB2 ASP 90 -2.635 5.449 13.040 751 HB3 ASP 90 HB3 ASP 90 -0.999 5.746 12.457 752 H GLN 91 H GLN 91 0.615 4.723 13.857 753 HA GLN 91 HA GLN 91 2.495 3.915 11.840 754 HB2 GLN 91 HB2 GLN 91 3.029 5.156 14.544 755 HB3 GLN 91 HB3 GLN 91 4.151 5.070 13.193 756 HG2 GLN 91 HG2 GLN 91 3.442 7.147 12.775 757 HG3 GLN 91 HG3 GLN 91 2.066 6.335 12.031 758 HE21 GLN 91 HE21 GLN 91 3.038 7.044 15.372 759 HE22 GLN 91 HE22 GLN 91 1.551 7.796 15.825 760 H LEU 92 H LEU 92 2.303 3.278 15.348 761 HA LEU 92 HA LEU 92 4.250 1.494 15.759 762 HB2 LEU 92 HB2 LEU 92 2.788 2.033 17.542 763 HB3 LEU 92 HB3 LEU 92 1.398 1.351 16.699 764 HG LEU 92 HG LEU 92 2.424 0.063 18.689 765 HD11 LEU 92 HD11 LEU 92 2.269 -1.871 16.531 766 HD12 LEU 92 HD12 LEU 92 0.967 -0.684 16.469 767 HD13 LEU 92 HD13 LEU 92 1.216 -1.644 17.928 768 HD21 LEU 92 HD21 LEU 92 4.193 -1.236 16.707 769 HD22 LEU 92 HD22 LEU 92 4.386 -1.044 18.450 770 HD23 LEU 92 HD23 LEU 92 4.737 0.306 17.369 771 H SER 93 H SER 93 1.064 0.563 14.460 772 HA SER 93 HA SER 93 1.757 -2.134 13.984 773 HB2 SER 93 HB2 SER 93 -0.565 -0.609 13.828 774 HB3 SER 93 HB3 SER 93 -0.272 -1.108 12.162 775 HG SER 93 HG SER 93 -1.447 -2.545 13.872 776 H HIS 94 H HIS 94 1.954 0.774 12.016 777 HA HIS 94 HA HIS 94 2.601 -0.540 9.581 778 HB2 HIS 94 HB2 HIS 94 1.749 1.871 9.942 779 HB3 HIS 94 HB3 HIS 94 3.435 2.271 10.255 780 HD1 HIS 94 HD1 HIS 94 2.528 3.745 7.971 781 HD2 HIS 94 HD2 HIS 94 3.672 -0.227 7.551 782 HE1 HIS 94 HE1 HIS 94 3.064 3.454 5.531 783 H ILE 95 H ILE 95 4.277 -0.469 12.378 784 HA ILE 95 HA ILE 95 6.885 -0.527 11.006 785 HB ILE 95 HB ILE 95 6.423 0.038 13.934 786 HG12 ILE 95 HG12 ILE 95 7.254 2.055 11.856 787 HG13 ILE 95 HG13 ILE 95 5.561 1.783 12.254 788 HG21 ILE 95 HG21 ILE 95 8.785 0.819 13.826 789 HG22 ILE 95 HG22 ILE 95 8.587 -0.908 13.536 790 HG23 ILE 95 HG23 ILE 95 8.870 0.186 12.183 791 HD11 ILE 95 HD11 ILE 95 7.157 2.178 14.627 792 HD12 ILE 95 HD12 ILE 95 7.299 3.530 13.502 793 HD13 ILE 95 HD13 ILE 95 5.711 3.026 14.080 794 H CYS 96 H CYS 96 4.669 -2.182 13.100 795 HA CYS 96 HA CYS 96 6.601 -4.334 13.571 796 HB2 CYS 96 HB2 CYS 96 5.182 -3.329 15.447 797 HB3 CYS 96 HB3 CYS 96 3.815 -4.154 14.709 798 HG CYS 96 HG CYS 96 6.403 -5.437 16.455 799 H LEU 97 H LEU 97 4.836 -3.597 11.092 800 HA LEU 97 HA LEU 97 3.900 -4.742 9.364 801 HB2 LEU 97 HB2 LEU 97 4.721 -7.261 10.787 802 HB3 LEU 97 HB3 LEU 97 4.433 -7.039 9.063 803 HG LEU 97 HG LEU 97 6.728 -5.848 10.619 804 HD11 LEU 97 HD11 LEU 97 6.340 -8.443 9.418 805 HD12 LEU 97 HD12 LEU 97 7.672 -7.846 10.407 806 HD13 LEU 97 HD13 LEU 97 7.680 -7.578 8.664 807 HD21 LEU 97 HD21 LEU 97 7.269 -4.654 8.810 808 HD22 LEU 97 HD22 LEU 97 5.607 -4.930 8.289 809 HD23 LEU 97 HD23 LEU 97 6.899 -5.983 7.712 810 H HIS 98 H HIS 98 1.779 -4.187 9.754 811 HA HIS 98 HA HIS 98 0.141 -5.459 11.693 812 HB2 HIS 98 HB2 HIS 98 -1.712 -4.297 10.619 813 HB3 HIS 98 HB3 HIS 98 -0.338 -3.209 10.792 814 HD1 HIS 98 HD1 HIS 98 0.418 -2.044 8.725 815 HD2 HIS 98 HD2 HIS 98 -1.987 -5.327 7.887 816 HE1 HIS 98 HE1 HIS 98 0.021 -1.972 6.243 817 H ASP 99 H ASP 99 1.073 -6.253 8.465 818 HA ASP 99 HA ASP 99 -1.044 -7.862 7.641 819 HB2 ASP 99 HB2 ASP 99 0.596 -8.981 6.179 820 HB3 ASP 99 HB3 ASP 99 0.778 -7.230 6.144 821 H TYR 100 H TYR 100 1.266 -8.369 10.121 822 HA TYR 100 HA TYR 100 1.215 -11.212 10.175 823 HB2 TYR 100 HB2 TYR 100 2.387 -9.067 11.741 824 HB3 TYR 100 HB3 TYR 100 1.772 -10.354 12.772 825 HD1 TYR 100 HD2 TYR 100 2.352 -12.809 11.655 826 HD2 TYR 100 HD1 TYR 100 4.627 -9.235 11.257 827 HE1 TYR 100 HE2 TYR 100 4.363 -14.147 11.191 828 HE2 TYR 100 HE1 TYR 100 6.643 -10.564 10.790 829 HH TYR 100 HH TYR 100 6.570 -14.108 10.881 830 H ARG 101 H ARG 101 -0.886 -8.736 11.376 831 HA ARG 101 HA ARG 101 -2.354 -10.658 13.029 832 HB2 ARG 101 HB2 ARG 101 -2.069 -8.714 14.271 833 HB3 ARG 101 HB3 ARG 101 -2.278 -7.669 12.872 834 HG2 ARG 101 HG2 ARG 101 -4.654 -8.122 12.846 835 HG3 ARG 101 HG3 ARG 101 -4.473 -9.260 14.183 836 HD2 ARG 101 HD2 ARG 101 -4.813 -7.566 15.581 837 HD3 ARG 101 HD3 ARG 101 -3.272 -6.891 15.052 838 HE ARG 101 HE ARG 101 -5.921 -6.017 14.274 839 HH11 ARG 101 HH11 ARG 101 -2.502 -5.918 13.628 840 HH12 ARG 101 HH12 ARG 101 -2.583 -4.442 12.726 841 HH21 ARG 101 HH21 ARG 101 -6.041 -4.072 13.088 842 HH22 ARG 101 HH22 ARG 101 -4.596 -3.392 12.420 843 H GLU 102 H GLU 102 -4.510 -11.148 12.682 844 HA GLU 102 HA GLU 102 -5.387 -10.972 9.951 845 HB2 GLU 102 HB2 GLU 102 -6.085 -12.507 12.323 846 HB3 GLU 102 HB3 GLU 102 -7.509 -11.980 11.436 847 HG2 GLU 102 HG2 GLU 102 -6.163 -12.893 9.375 848 HG3 GLU 102 HG3 GLU 102 -5.340 -13.837 10.615 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -5.722 8.667 20.980 2 HA2 GLY 1 HA2 GLY 1 -7.061 10.560 19.367 3 HA3 GLY 1 HA3 GLY 1 -5.951 11.397 20.440 4 H ALA 2 H ALA 2 -3.879 11.568 19.849 5 HA ALA 2 HA ALA 2 -1.936 11.302 18.688 6 HB1 ALA 2 HB1 ALA 2 -2.931 8.622 17.763 7 HB2 ALA 2 HB2 ALA 2 -1.266 9.156 18.000 8 HB3 ALA 2 HB3 ALA 2 -2.313 8.889 19.393 9 H MET 3 H MET 3 -1.321 12.131 16.780 10 HA MET 3 HA MET 3 -2.810 11.545 14.358 11 HB2 MET 3 HB2 MET 3 -2.772 14.241 15.673 12 HB3 MET 3 HB3 MET 3 -2.885 14.113 13.923 13 HG2 MET 3 HG2 MET 3 -4.918 12.820 14.115 14 HG3 MET 3 HG3 MET 3 -4.787 12.835 15.872 15 HE1 MET 3 HE1 MET 3 -5.782 14.331 17.306 16 HE2 MET 3 HE2 MET 3 -6.819 15.686 16.861 17 HE3 MET 3 HE3 MET 3 -7.252 14.047 16.373 18 H ALA 4 H ALA 4 -0.582 10.552 14.218 19 HA ALA 4 HA ALA 4 1.009 12.088 12.449 20 HB1 ALA 4 HB1 ALA 4 2.985 12.438 13.711 21 HB2 ALA 4 HB2 ALA 4 1.652 13.083 14.670 22 HB3 ALA 4 HB3 ALA 4 2.357 11.519 15.079 23 H MET 5 H MET 5 2.888 10.887 11.656 24 HA MET 5 HA MET 5 2.780 8.015 12.278 25 HB2 MET 5 HB2 MET 5 3.248 7.668 9.781 26 HB3 MET 5 HB3 MET 5 1.609 8.102 10.247 27 HG2 MET 5 HG2 MET 5 3.410 10.341 9.591 28 HG3 MET 5 HG3 MET 5 2.955 9.283 8.257 29 HE1 MET 5 HE1 MET 5 2.697 12.231 9.014 30 HE2 MET 5 HE2 MET 5 1.270 12.604 8.047 31 HE3 MET 5 HE3 MET 5 1.210 12.756 9.804 32 H ALA 6 H ALA 6 4.739 6.976 10.878 33 HA ALA 6 HA ALA 6 7.099 8.535 10.658 34 HB1 ALA 6 HB1 ALA 6 6.788 8.408 13.160 35 HB2 ALA 6 HB2 ALA 6 7.104 6.678 13.024 36 HB3 ALA 6 HB3 ALA 6 8.341 7.841 12.546 37 H LYS 7 H LYS 7 8.698 7.444 9.588 38 HA LYS 7 HA LYS 7 8.011 4.751 8.685 39 HB2 LYS 7 HB2 LYS 7 8.690 6.788 7.177 40 HB3 LYS 7 HB3 LYS 7 10.328 6.323 7.619 41 HG2 LYS 7 HG2 LYS 7 9.749 4.002 6.801 42 HG3 LYS 7 HG3 LYS 7 8.285 4.713 6.118 43 HD2 LYS 7 HD2 LYS 7 10.538 6.317 5.393 44 HD3 LYS 7 HD3 LYS 7 10.874 4.631 4.994 45 HE2 LYS 7 HE2 LYS 7 9.009 4.479 3.583 46 HE3 LYS 7 HE3 LYS 7 8.273 5.933 4.255 47 HZ1 LYS 7 HZ1 LYS 7 9.138 6.929 2.472 48 HZ2 LYS 7 HZ2 LYS 7 10.215 5.666 2.148 49 HZ3 LYS 7 HZ3 LYS 7 10.619 6.849 3.288 50 H ALA 8 H ALA 8 9.150 2.978 9.202 51 HA ALA 8 HA ALA 8 11.873 2.937 9.920 52 HB1 ALA 8 HB1 ALA 8 11.900 2.787 12.224 53 HB2 ALA 8 HB2 ALA 8 10.689 4.040 11.953 54 HB3 ALA 8 HB3 ALA 8 10.184 2.392 12.324 55 H ARG 9 H ARG 9 12.620 0.801 10.511 56 HA ARG 9 HA ARG 9 10.684 -1.298 9.783 57 HB2 ARG 9 HB2 ARG 9 13.615 -1.000 9.182 58 HB3 ARG 9 HB3 ARG 9 12.835 -2.575 9.137 59 HG2 ARG 9 HG2 ARG 9 11.309 -1.808 7.423 60 HG3 ARG 9 HG3 ARG 9 11.997 -0.185 7.509 61 HD2 ARG 9 HD2 ARG 9 13.740 -0.740 6.220 62 HD3 ARG 9 HD3 ARG 9 13.998 -2.259 7.076 63 HE ARG 9 HE ARG 9 12.627 -1.900 4.605 64 HH11 ARG 9 HH11 ARG 9 12.702 -3.824 7.506 65 HH12 ARG 9 HH12 ARG 9 11.987 -5.214 6.758 66 HH21 ARG 9 HH21 ARG 9 11.685 -3.724 3.610 67 HH22 ARG 9 HH22 ARG 9 11.409 -5.156 4.542 68 H LYS 10 H LYS 10 12.910 -0.160 12.132 69 HA LYS 10 HA LYS 10 13.733 -2.405 13.477 70 HB2 LYS 10 HB2 LYS 10 13.446 -0.912 15.582 71 HB3 LYS 10 HB3 LYS 10 14.571 -0.411 14.327 72 HG2 LYS 10 HG2 LYS 10 11.948 0.638 13.799 73 HG3 LYS 10 HG3 LYS 10 12.479 1.070 15.426 74 HD2 LYS 10 HD2 LYS 10 14.726 1.642 14.165 75 HD3 LYS 10 HD3 LYS 10 13.640 1.805 12.783 76 HE2 LYS 10 HE2 LYS 10 12.238 3.328 14.240 77 HE3 LYS 10 HE3 LYS 10 13.579 3.319 15.384 78 HZ1 LYS 10 HZ1 LYS 10 13.269 4.894 13.094 79 HZ2 LYS 10 HZ2 LYS 10 14.597 3.879 12.838 80 HZ3 LYS 10 HZ3 LYS 10 14.554 4.890 14.194 81 HA PRO 11 HA PRO 11 9.774 -4.217 14.524 82 HB2 PRO 11 HB2 PRO 11 10.819 -6.484 15.591 83 HB3 PRO 11 HB3 PRO 11 10.671 -6.222 13.850 84 HG2 PRO 11 HG2 PRO 11 13.065 -5.896 15.617 85 HG3 PRO 11 HG3 PRO 11 12.955 -6.628 14.006 86 HD2 PRO 11 HD2 PRO 11 13.870 -4.110 14.403 87 HD3 PRO 11 HD3 PRO 11 12.987 -4.585 12.938 88 H ARG 12 H ARG 12 12.476 -4.687 16.816 89 HA ARG 12 HA ARG 12 10.976 -4.891 19.131 90 HB2 ARG 12 HB2 ARG 12 13.752 -3.786 18.702 91 HB3 ARG 12 HB3 ARG 12 13.059 -4.054 20.296 92 HG2 ARG 12 HG2 ARG 12 13.189 -6.327 20.127 93 HG3 ARG 12 HG3 ARG 12 13.070 -6.313 18.367 94 HD2 ARG 12 HD2 ARG 12 15.466 -5.319 19.899 95 HD3 ARG 12 HD3 ARG 12 15.316 -6.958 19.266 96 HE ARG 12 HE ARG 12 14.856 -5.185 17.165 97 HH11 ARG 12 HH11 ARG 12 17.450 -6.132 19.285 98 HH12 ARG 12 HH12 ARG 12 18.695 -5.774 18.134 99 HH21 ARG 12 HH21 ARG 12 16.487 -4.710 15.641 100 HH22 ARG 12 HH22 ARG 12 18.146 -4.965 16.063 101 H GLU 13 H GLU 13 12.390 -1.965 17.685 102 HA GLU 13 HA GLU 13 11.377 -0.196 19.658 103 HB2 GLU 13 HB2 GLU 13 12.947 -0.013 17.253 104 HB3 GLU 13 HB3 GLU 13 11.714 1.241 17.256 105 HG2 GLU 13 HG2 GLU 13 12.667 1.410 19.796 106 HG3 GLU 13 HG3 GLU 13 14.114 0.953 18.900 107 H ALA 14 H ALA 14 9.948 -1.760 16.979 108 HA ALA 14 HA ALA 14 7.914 0.141 16.391 109 HB1 ALA 14 HB1 ALA 14 8.761 -2.347 15.364 110 HB2 ALA 14 HB2 ALA 14 7.052 -2.507 15.772 111 HB3 ALA 14 HB3 ALA 14 7.582 -1.228 14.679 112 H LEU 15 H LEU 15 8.166 -2.586 18.602 113 HA LEU 15 HA LEU 15 5.414 -2.602 19.345 114 HB2 LEU 15 HB2 LEU 15 6.577 -4.607 19.692 115 HB3 LEU 15 HB3 LEU 15 7.905 -3.792 20.516 116 HG LEU 15 HG LEU 15 6.353 -3.340 22.418 117 HD11 LEU 15 HD11 LEU 15 4.487 -4.684 20.573 118 HD12 LEU 15 HD12 LEU 15 4.183 -3.476 21.821 119 HD13 LEU 15 HD13 LEU 15 4.392 -5.170 22.266 120 HD21 LEU 15 HD21 LEU 15 7.009 -5.250 23.397 121 HD22 LEU 15 HD22 LEU 15 7.834 -5.548 21.867 122 HD23 LEU 15 HD23 LEU 15 6.250 -6.262 22.169 123 H LEU 16 H LEU 16 8.317 -1.068 20.619 124 HA LEU 16 HA LEU 16 7.136 -0.106 23.014 125 HB2 LEU 16 HB2 LEU 16 9.419 1.255 21.638 126 HB3 LEU 16 HB3 LEU 16 9.115 1.068 23.364 127 HG LEU 16 HG LEU 16 10.000 -1.121 21.485 128 HD11 LEU 16 HD11 LEU 16 11.712 -0.310 23.720 129 HD12 LEU 16 HD12 LEU 16 11.533 0.902 22.452 130 HD13 LEU 16 HD13 LEU 16 12.128 -0.709 22.053 131 HD21 LEU 16 HD21 LEU 16 9.283 -2.530 23.042 132 HD22 LEU 16 HD22 LEU 16 8.776 -1.195 24.077 133 HD23 LEU 16 HD23 LEU 16 10.428 -1.807 24.172 134 H TRP 17 H TRP 17 7.629 1.305 19.806 135 HA TRP 17 HA TRP 17 6.518 3.845 20.519 136 HB2 TRP 17 HB2 TRP 17 8.079 2.993 18.465 137 HB3 TRP 17 HB3 TRP 17 6.509 3.064 17.670 138 HD1 TRP 17 HD1 TRP 17 5.295 5.657 18.908 139 HE1 TRP 17 HE1 TRP 17 6.319 7.962 18.395 140 HE3 TRP 17 HE3 TRP 17 9.980 4.169 17.505 141 HZ2 TRP 17 HZ2 TRP 17 8.787 9.011 17.512 142 HZ3 TRP 17 HZ3 TRP 17 11.613 5.886 16.840 143 HH2 TRP 17 HH2 TRP 17 11.026 8.256 16.843 144 H ALA 18 H ALA 18 5.284 0.860 19.173 145 HA ALA 18 HA ALA 18 2.764 1.931 18.350 146 HB1 ALA 18 HB1 ALA 18 3.636 -0.914 18.839 147 HB2 ALA 18 HB2 ALA 18 2.103 -0.438 18.109 148 HB3 ALA 18 HB3 ALA 18 3.622 -0.063 17.294 149 H LEU 19 H LEU 19 3.625 -0.309 20.996 150 HA LEU 19 HA LEU 19 1.164 -0.297 22.282 151 HB2 LEU 19 HB2 LEU 19 2.258 -1.231 24.153 152 HB3 LEU 19 HB3 LEU 19 3.116 -1.811 22.727 153 HG LEU 19 HG LEU 19 4.729 0.178 23.238 154 HD11 LEU 19 HD11 LEU 19 4.862 0.301 25.836 155 HD12 LEU 19 HD12 LEU 19 3.149 -0.105 25.754 156 HD13 LEU 19 HD13 LEU 19 3.749 1.350 24.959 157 HD21 LEU 19 HD21 LEU 19 4.969 -2.426 23.491 158 HD22 LEU 19 HD22 LEU 19 4.936 -2.042 25.213 159 HD23 LEU 19 HD23 LEU 19 6.174 -1.333 24.175 160 H SER 20 H SER 20 3.631 2.115 22.203 161 HA SER 20 HA SER 20 2.568 3.533 24.511 162 HB2 SER 20 HB2 SER 20 4.953 3.585 24.329 163 HB3 SER 20 HB3 SER 20 4.876 4.092 22.642 164 HG SER 20 HG SER 20 3.764 5.662 24.708 165 H ASP 21 H ASP 21 2.155 3.440 21.127 166 HA ASP 21 HA ASP 21 1.382 6.139 20.689 167 HB2 ASP 21 HB2 ASP 21 1.704 3.798 19.123 168 HB3 ASP 21 HB3 ASP 21 0.057 4.369 18.864 169 H LEU 22 H LEU 22 -0.121 3.562 22.281 170 HA LEU 22 HA LEU 22 -2.786 4.759 21.943 171 HB2 LEU 22 HB2 LEU 22 -3.379 2.520 23.212 172 HB3 LEU 22 HB3 LEU 22 -3.156 2.573 21.465 173 HG LEU 22 HG LEU 22 -0.728 1.974 23.018 174 HD11 LEU 22 HD11 LEU 22 -2.881 -0.117 22.799 175 HD12 LEU 22 HD12 LEU 22 -2.547 0.789 24.275 176 HD13 LEU 22 HD13 LEU 22 -1.308 -0.258 23.584 177 HD21 LEU 22 HD21 LEU 22 -2.034 0.630 20.655 178 HD22 LEU 22 HD22 LEU 22 -0.383 0.391 21.228 179 HD23 LEU 22 HD23 LEU 22 -0.865 1.947 20.551 180 H GLU 23 H GLU 23 -4.160 4.895 23.859 181 HA GLU 23 HA GLU 23 -2.769 6.099 26.042 182 HB2 GLU 23 HB2 GLU 23 -5.673 5.461 25.549 183 HB3 GLU 23 HB3 GLU 23 -5.114 6.197 27.044 184 HG2 GLU 23 HG2 GLU 23 -4.122 8.034 25.665 185 HG3 GLU 23 HG3 GLU 23 -4.935 7.332 24.267 186 H GLU 24 H GLU 24 -3.024 5.481 28.302 187 HA GLU 24 HA GLU 24 -2.286 2.800 28.756 188 HB2 GLU 24 HB2 GLU 24 -2.463 3.370 31.154 189 HB3 GLU 24 HB3 GLU 24 -1.554 4.568 30.243 190 HG2 GLU 24 HG2 GLU 24 -2.844 5.990 31.416 191 HG3 GLU 24 HG3 GLU 24 -3.972 5.683 30.096 192 H ASN 25 H ASN 25 -5.358 4.469 28.900 193 HA ASN 25 HA ASN 25 -6.762 2.383 30.257 194 HB2 ASN 25 HB2 ASN 25 -8.054 4.446 28.485 195 HB3 ASN 25 HB3 ASN 25 -8.706 3.674 29.928 196 HD21 ASN 25 HD21 ASN 25 -8.410 4.610 31.855 197 HD22 ASN 25 HD22 ASN 25 -7.480 6.042 32.122 198 H ASP 26 H ASP 26 -5.351 2.333 27.344 199 HA ASP 26 HA ASP 26 -7.462 0.686 26.116 200 HB2 ASP 26 HB2 ASP 26 -5.174 2.174 24.810 201 HB3 ASP 26 HB3 ASP 26 -6.301 1.121 23.960 202 H PHE 27 H PHE 27 -3.908 0.942 26.285 203 HA PHE 27 HA PHE 27 -3.380 -1.672 25.417 204 HB2 PHE 27 HB2 PHE 27 -1.315 -0.817 25.437 205 HB3 PHE 27 HB3 PHE 27 -1.877 0.565 26.372 206 HD1 PHE 27 HD2 PHE 27 -1.738 0.545 28.821 207 HD2 PHE 27 HD1 PHE 27 -0.140 -2.618 26.464 208 HE1 PHE 27 HE2 PHE 27 -0.421 -0.224 30.752 209 HE2 PHE 27 HE1 PHE 27 1.179 -3.393 28.391 210 HZ PHE 27 HZ PHE 27 1.040 -2.195 30.538 211 H LYS 28 H LYS 28 -3.946 -0.343 28.629 212 HA LYS 28 HA LYS 28 -3.238 -2.630 30.113 213 HB2 LYS 28 HB2 LYS 28 -3.450 -0.523 31.236 214 HB3 LYS 28 HB3 LYS 28 -5.121 -0.348 30.715 215 HG2 LYS 28 HG2 LYS 28 -4.868 -0.982 33.096 216 HG3 LYS 28 HG3 LYS 28 -5.825 -2.126 32.152 217 HD2 LYS 28 HD2 LYS 28 -4.308 -3.329 33.605 218 HD3 LYS 28 HD3 LYS 28 -3.830 -3.560 31.921 219 HE2 LYS 28 HE2 LYS 28 -2.162 -1.728 32.224 220 HE3 LYS 28 HE3 LYS 28 -2.572 -1.706 33.939 221 HZ1 LYS 28 HZ1 LYS 28 -2.059 -4.300 33.550 222 HZ2 LYS 28 HZ2 LYS 28 -0.907 -3.180 34.079 223 HZ3 LYS 28 HZ3 LYS 28 -0.982 -3.607 32.444 224 H LYS 29 H LYS 29 -6.350 -1.539 28.807 225 HA LYS 29 HA LYS 29 -8.006 -3.483 29.875 226 HB2 LYS 29 HB2 LYS 29 -8.112 -1.589 27.679 227 HB3 LYS 29 HB3 LYS 29 -8.961 -3.077 27.283 228 HG2 LYS 29 HG2 LYS 29 -10.558 -1.624 28.229 229 HG3 LYS 29 HG3 LYS 29 -10.189 -2.828 29.465 230 HD2 LYS 29 HD2 LYS 29 -8.359 -0.936 30.068 231 HD3 LYS 29 HD3 LYS 29 -9.655 0.072 29.417 232 HE2 LYS 29 HE2 LYS 29 -10.113 -2.028 31.523 233 HE3 LYS 29 HE3 LYS 29 -9.709 -0.357 31.912 234 HZ1 LYS 29 HZ1 LYS 29 -12.160 -1.443 30.713 235 HZ2 LYS 29 HZ2 LYS 29 -11.704 0.144 30.349 236 HZ3 LYS 29 HZ3 LYS 29 -11.985 -0.307 31.955 237 H LEU 30 H LEU 30 -5.931 -3.636 27.025 238 HA LEU 30 HA LEU 30 -6.842 -6.178 26.139 239 HB2 LEU 30 HB2 LEU 30 -4.075 -5.313 25.534 240 HB3 LEU 30 HB3 LEU 30 -5.308 -5.989 24.471 241 HG LEU 30 HG LEU 30 -5.102 -3.135 25.425 242 HD11 LEU 30 HD11 LEU 30 -3.648 -3.151 23.693 243 HD12 LEU 30 HD12 LEU 30 -5.135 -3.006 22.756 244 HD13 LEU 30 HD13 LEU 30 -4.368 -4.582 22.954 245 HD21 LEU 30 HD21 LEU 30 -7.014 -3.382 23.387 246 HD22 LEU 30 HD22 LEU 30 -7.286 -2.953 25.076 247 HD23 LEU 30 HD23 LEU 30 -7.388 -4.639 24.566 248 H LYS 31 H LYS 31 -3.873 -5.179 27.843 249 HA LYS 31 HA LYS 31 -2.809 -7.725 28.237 250 HB2 LYS 31 HB2 LYS 31 -2.551 -5.315 30.046 251 HB3 LYS 31 HB3 LYS 31 -1.487 -6.715 30.040 252 HG2 LYS 31 HG2 LYS 31 -1.857 -4.765 27.775 253 HG3 LYS 31 HG3 LYS 31 -0.478 -4.839 28.874 254 HD2 LYS 31 HD2 LYS 31 0.314 -6.809 27.953 255 HD3 LYS 31 HD3 LYS 31 -1.265 -7.261 27.306 256 HE2 LYS 31 HE2 LYS 31 0.474 -5.010 26.300 257 HE3 LYS 31 HE3 LYS 31 0.296 -6.589 25.536 258 HZ1 LYS 31 HZ1 LYS 31 -1.839 -4.560 25.909 259 HZ2 LYS 31 HZ2 LYS 31 -2.086 -6.108 25.273 260 HZ3 LYS 31 HZ3 LYS 31 -1.111 -4.999 24.446 261 H PHE 32 H PHE 32 -5.370 -6.061 29.894 262 HA PHE 32 HA PHE 32 -5.407 -7.540 32.284 263 HB2 PHE 32 HB2 PHE 32 -6.687 -5.553 32.247 264 HB3 PHE 32 HB3 PHE 32 -7.532 -6.028 30.778 265 HD1 PHE 32 HD1 PHE 32 -7.015 -7.290 34.252 266 HD2 PHE 32 HD2 PHE 32 -9.702 -6.725 31.000 267 HE1 PHE 32 HE1 PHE 32 -8.849 -8.209 35.611 268 HE2 PHE 32 HE2 PHE 32 -11.539 -7.642 32.354 269 HZ PHE 32 HZ PHE 32 -11.115 -8.385 34.663 270 H TYR 33 H TYR 33 -7.174 -8.009 29.235 271 HA TYR 33 HA TYR 33 -8.110 -10.613 30.178 272 HB2 TYR 33 HB2 TYR 33 -9.326 -8.651 28.667 273 HB3 TYR 33 HB3 TYR 33 -8.854 -9.837 27.455 274 HD1 TYR 33 HD1 TYR 33 -9.185 -12.364 28.923 275 HD2 TYR 33 HD2 TYR 33 -11.633 -8.885 28.878 276 HE1 TYR 33 HE1 TYR 33 -11.140 -13.740 29.504 277 HE2 TYR 33 HE2 TYR 33 -13.594 -10.250 29.460 278 HH TYR 33 HH TYR 33 -13.385 -13.769 29.676 279 H LEU 34 H LEU 34 -6.508 -9.256 27.295 280 HA LEU 34 HA LEU 34 -5.868 -11.620 26.018 281 HB2 LEU 34 HB2 LEU 34 -4.552 -8.936 26.108 282 HB3 LEU 34 HB3 LEU 34 -3.815 -10.258 25.204 283 HG LEU 34 HG LEU 34 -5.488 -8.469 24.115 284 HD11 LEU 34 HD11 LEU 34 -4.169 -10.155 22.933 285 HD12 LEU 34 HD12 LEU 34 -5.815 -10.064 22.308 286 HD13 LEU 34 HD13 LEU 34 -5.349 -11.389 23.375 287 HD21 LEU 34 HD21 LEU 34 -7.358 -9.158 25.562 288 HD22 LEU 34 HD22 LEU 34 -7.259 -10.786 24.889 289 HD23 LEU 34 HD23 LEU 34 -7.696 -9.427 23.852 290 H ARG 35 H ARG 35 -3.706 -9.760 28.165 291 HA ARG 35 HA ARG 35 -1.689 -11.709 28.289 292 HB2 ARG 35 HB2 ARG 35 -1.961 -9.143 29.188 293 HB3 ARG 35 HB3 ARG 35 -2.018 -10.048 30.695 294 HG2 ARG 35 HG2 ARG 35 0.108 -11.178 29.974 295 HG3 ARG 35 HG3 ARG 35 0.186 -10.011 28.653 296 HD2 ARG 35 HD2 ARG 35 -0.307 -8.702 31.179 297 HD3 ARG 35 HD3 ARG 35 1.152 -9.688 31.248 298 HE ARG 35 HE ARG 35 1.419 -8.315 28.924 299 HH11 ARG 35 HH11 ARG 35 0.798 -7.387 32.222 300 HH12 ARG 35 HH12 ARG 35 1.583 -5.850 32.075 301 HH21 ARG 35 HH21 ARG 35 2.457 -6.294 28.718 302 HH22 ARG 35 HH22 ARG 35 2.526 -5.229 30.081 303 H ASP 36 H ASP 36 -4.537 -11.150 30.295 304 HA ASP 36 HA ASP 36 -4.062 -12.793 32.436 305 HB2 ASP 36 HB2 ASP 36 -6.084 -11.785 32.706 306 HB3 ASP 36 HB3 ASP 36 -6.488 -11.904 30.996 307 H MET 37 H MET 37 -5.437 -13.760 29.299 308 HA MET 37 HA MET 37 -5.248 -16.566 30.042 309 HB2 MET 37 HB2 MET 37 -6.885 -15.060 28.290 310 HB3 MET 37 HB3 MET 37 -5.970 -16.183 27.293 311 HG2 MET 37 HG2 MET 37 -6.786 -18.054 28.544 312 HG3 MET 37 HG3 MET 37 -7.566 -16.988 29.711 313 HE1 MET 37 HE1 MET 37 -10.332 -18.913 27.896 314 HE2 MET 37 HE2 MET 37 -8.963 -19.347 26.872 315 HE3 MET 37 HE3 MET 37 -8.771 -19.294 28.625 316 H THR 38 H THR 38 -4.237 -14.701 27.171 317 HA THR 38 HA THR 38 -2.531 -16.471 26.015 318 HB THR 38 HB THR 38 -1.350 -14.636 25.002 319 HG1 THR 38 HG1 THR 38 -2.358 -13.172 27.213 320 HG21 THR 38 HG21 THR 38 -3.192 -14.267 23.806 321 HG22 THR 38 HG22 THR 38 -3.699 -13.069 24.997 322 HG23 THR 38 HG23 THR 38 -4.205 -14.750 25.165 323 H LEU 39 H LEU 39 -1.693 -14.201 28.619 324 HA LEU 39 HA LEU 39 0.695 -15.843 29.153 325 HB2 LEU 39 HB2 LEU 39 0.339 -12.862 29.350 326 HB3 LEU 39 HB3 LEU 39 1.686 -13.721 30.094 327 HG LEU 39 HG LEU 39 2.093 -14.589 27.658 328 HD11 LEU 39 HD11 LEU 39 0.432 -13.815 26.323 329 HD12 LEU 39 HD12 LEU 39 1.524 -12.437 26.199 330 HD13 LEU 39 HD13 LEU 39 0.155 -12.378 27.308 331 HD21 LEU 39 HD21 LEU 39 3.151 -12.091 27.342 332 HD22 LEU 39 HD22 LEU 39 3.885 -13.397 28.274 333 HD23 LEU 39 HD23 LEU 39 2.909 -12.172 29.088 334 H SER 40 H SER 40 0.447 -13.353 31.330 335 HA SER 40 HA SER 40 -0.084 -13.227 33.538 336 HB2 SER 40 HB2 SER 40 -2.419 -13.906 32.253 337 HB3 SER 40 HB3 SER 40 -2.292 -15.160 33.486 338 HG SER 40 HG SER 40 -3.277 -13.542 34.531 339 H GLU 41 H GLU 41 1.559 -14.166 34.617 340 HA GLU 41 HA GLU 41 1.180 -16.568 35.990 341 HB2 GLU 41 HB2 GLU 41 1.938 -17.066 33.371 342 HB3 GLU 41 HB3 GLU 41 3.448 -17.179 34.263 343 HG2 GLU 41 HG2 GLU 41 0.928 -18.723 34.828 344 HG3 GLU 41 HG3 GLU 41 2.395 -19.349 34.076 345 H GLY 42 H GLY 42 1.918 -14.144 36.860 346 HA2 GLY 42 HA2 GLY 42 3.636 -14.028 38.682 347 HA3 GLY 42 HA3 GLY 42 4.805 -14.417 37.430 348 H GLN 43 H GLN 43 2.772 -12.562 35.799 349 HA GLN 43 HA GLN 43 4.462 -10.337 35.676 350 HB2 GLN 43 HB2 GLN 43 3.057 -9.557 34.062 351 HB3 GLN 43 HB3 GLN 43 2.481 -11.217 34.119 352 HG2 GLN 43 HG2 GLN 43 0.784 -10.376 35.835 353 HG3 GLN 43 HG3 GLN 43 1.228 -8.761 35.285 354 HE21 GLN 43 HE21 GLN 43 -0.565 -8.154 34.233 355 HE22 GLN 43 HE22 GLN 43 -1.243 -8.985 32.880 356 HA PRO 44 HA PRO 44 3.333 -7.732 39.019 357 HB2 PRO 44 HB2 PRO 44 3.452 -5.268 37.884 358 HB3 PRO 44 HB3 PRO 44 4.890 -6.232 38.242 359 HG2 PRO 44 HG2 PRO 44 3.445 -5.877 35.644 360 HG3 PRO 44 HG3 PRO 44 5.190 -5.886 35.962 361 HD2 PRO 44 HD2 PRO 44 3.879 -8.037 34.968 362 HD3 PRO 44 HD3 PRO 44 5.292 -8.188 36.031 363 HA PRO 45 HA PRO 45 -0.921 -6.622 39.011 364 HB2 PRO 45 HB2 PRO 45 -0.972 -4.393 40.560 365 HB3 PRO 45 HB3 PRO 45 -0.681 -6.010 41.212 366 HG2 PRO 45 HG2 PRO 45 1.287 -3.858 40.536 367 HG3 PRO 45 HG3 PRO 45 1.236 -4.923 41.953 368 HD2 PRO 45 HD2 PRO 45 2.889 -5.368 39.855 369 HD3 PRO 45 HD3 PRO 45 2.193 -6.687 40.819 370 H LEU 46 H LEU 46 -2.450 -5.332 38.009 371 HA LEU 46 HA LEU 46 -1.546 -3.697 35.871 372 HB2 LEU 46 HB2 LEU 46 -3.961 -3.244 35.520 373 HB3 LEU 46 HB3 LEU 46 -3.549 -4.956 35.594 374 HG LEU 46 HG LEU 46 -4.270 -4.686 38.111 375 HD11 LEU 46 HD11 LEU 46 -4.754 -2.120 37.233 376 HD12 LEU 46 HD12 LEU 46 -5.409 -2.862 38.692 377 HD13 LEU 46 HD13 LEU 46 -6.349 -2.872 37.200 378 HD21 LEU 46 HD21 LEU 46 -5.623 -6.196 37.170 379 HD22 LEU 46 HD22 LEU 46 -5.700 -5.314 35.644 380 HD23 LEU 46 HD23 LEU 46 -6.758 -4.860 36.981 381 H ALA 47 H ALA 47 -1.598 -1.498 35.598 382 HA ALA 47 HA ALA 47 -2.722 0.243 37.599 383 HB1 ALA 47 HB1 ALA 47 0.177 0.726 37.208 384 HB2 ALA 47 HB2 ALA 47 -0.849 1.046 38.607 385 HB3 ALA 47 HB3 ALA 47 -0.293 -0.594 38.279 386 H ARG 48 H ARG 48 -3.166 2.242 36.797 387 HA ARG 48 HA ARG 48 -3.018 2.622 33.987 388 HB2 ARG 48 HB2 ARG 48 -3.709 4.623 36.147 389 HB3 ARG 48 HB3 ARG 48 -4.042 4.803 34.429 390 HG2 ARG 48 HG2 ARG 48 -5.855 3.485 34.511 391 HG3 ARG 48 HG3 ARG 48 -5.111 2.356 35.645 392 HD2 ARG 48 HD2 ARG 48 -6.424 3.233 37.215 393 HD3 ARG 48 HD3 ARG 48 -5.433 4.687 37.111 394 HE ARG 48 HE ARG 48 -7.253 5.010 35.125 395 HH11 ARG 48 HH11 ARG 48 -7.485 4.322 38.530 396 HH12 ARG 48 HH12 ARG 48 -9.013 5.117 38.720 397 HH21 ARG 48 HH21 ARG 48 -9.264 6.060 35.362 398 HH22 ARG 48 HH22 ARG 48 -10.024 6.104 36.917 399 H GLY 49 H GLY 49 -1.179 3.869 36.722 400 HA2 GLY 49 HA2 GLY 49 0.268 5.833 35.268 401 HA3 GLY 49 HA3 GLY 49 0.720 5.161 36.828 402 H GLU 50 H GLU 50 0.348 2.537 34.959 403 HA GLU 50 HA GLU 50 3.102 1.980 34.796 404 HB2 GLU 50 HB2 GLU 50 0.683 0.688 33.550 405 HB3 GLU 50 HB3 GLU 50 2.309 0.079 33.275 406 HG2 GLU 50 HG2 GLU 50 1.889 0.457 36.079 407 HG3 GLU 50 HG3 GLU 50 0.579 -0.509 35.402 408 H LEU 51 H LEU 51 1.002 1.883 31.945 409 HA LEU 51 HA LEU 51 3.095 2.522 30.164 410 HB2 LEU 51 HB2 LEU 51 1.157 1.263 29.451 411 HB3 LEU 51 HB3 LEU 51 0.104 2.631 29.803 412 HG LEU 51 HG LEU 51 1.828 3.720 27.993 413 HD11 LEU 51 HD11 LEU 51 2.854 2.184 26.772 414 HD12 LEU 51 HD12 LEU 51 1.297 1.473 26.347 415 HD13 LEU 51 HD13 LEU 51 2.163 0.909 27.777 416 HD21 LEU 51 HD21 LEU 51 -0.747 2.261 27.409 417 HD22 LEU 51 HD22 LEU 51 -0.010 3.510 26.405 418 HD23 LEU 51 HD23 LEU 51 -0.611 3.912 28.015 419 H GLU 52 H GLU 52 0.844 4.468 31.954 420 HA GLU 52 HA GLU 52 1.154 6.843 30.396 421 HB2 GLU 52 HB2 GLU 52 -0.829 6.538 31.758 422 HB3 GLU 52 HB3 GLU 52 0.149 6.422 33.214 423 HG2 GLU 52 HG2 GLU 52 -0.035 8.602 33.495 424 HG3 GLU 52 HG3 GLU 52 0.813 8.862 31.972 425 H GLY 53 H GLY 53 2.379 5.884 33.609 426 HA2 GLY 53 HA2 GLY 53 4.206 8.125 33.664 427 HA3 GLY 53 HA3 GLY 53 4.041 6.880 34.893 428 H LEU 54 H LEU 54 4.687 4.594 33.864 429 HA LEU 54 HA LEU 54 7.463 4.667 33.528 430 HB2 LEU 54 HB2 LEU 54 5.745 2.403 32.569 431 HB3 LEU 54 HB3 LEU 54 7.372 2.339 33.242 432 HG LEU 54 HG LEU 54 4.841 2.939 34.772 433 HD11 LEU 54 HD11 LEU 54 4.744 0.668 34.418 434 HD12 LEU 54 HD12 LEU 54 5.667 0.750 35.918 435 HD13 LEU 54 HD13 LEU 54 6.498 0.488 34.385 436 HD21 LEU 54 HD21 LEU 54 6.441 4.114 35.943 437 HD22 LEU 54 HD22 LEU 54 7.736 3.001 35.502 438 HD23 LEU 54 HD23 LEU 54 6.537 2.527 36.706 439 H ILE 55 H ILE 55 8.175 3.020 31.489 440 HA ILE 55 HA ILE 55 7.366 4.502 29.072 441 HB ILE 55 HB ILE 55 9.699 4.042 28.223 442 HG12 ILE 55 HG12 ILE 55 10.087 3.312 31.128 443 HG13 ILE 55 HG13 ILE 55 10.417 2.313 29.718 444 HG21 ILE 55 HG21 ILE 55 10.599 6.001 29.192 445 HG22 ILE 55 HG22 ILE 55 8.851 6.226 29.166 446 HG23 ILE 55 HG23 ILE 55 9.661 5.789 30.670 447 HD11 ILE 55 HD11 ILE 55 12.502 3.054 30.505 448 HD12 ILE 55 HD12 ILE 55 12.154 4.031 29.078 449 HD13 ILE 55 HD13 ILE 55 11.932 4.712 30.689 450 HA PRO 56 HA PRO 56 6.526 0.694 27.061 451 HB2 PRO 56 HB2 PRO 56 7.432 1.152 24.543 452 HB3 PRO 56 HB3 PRO 56 5.975 1.912 25.192 453 HG2 PRO 56 HG2 PRO 56 8.742 3.027 24.942 454 HG3 PRO 56 HG3 PRO 56 7.187 3.804 24.593 455 HD2 PRO 56 HD2 PRO 56 8.556 4.250 26.886 456 HD3 PRO 56 HD3 PRO 56 6.783 4.278 26.813 457 H VAL 57 H VAL 57 9.799 1.929 26.433 458 HA VAL 57 HA VAL 57 10.930 -0.503 25.590 459 HB VAL 57 HB VAL 57 12.344 1.769 26.992 460 HG11 VAL 57 HG11 VAL 57 14.192 0.861 25.363 461 HG12 VAL 57 HG12 VAL 57 13.919 0.099 26.931 462 HG13 VAL 57 HG13 VAL 57 13.252 -0.627 25.468 463 HG21 VAL 57 HG21 VAL 57 12.692 1.768 24.157 464 HG22 VAL 57 HG22 VAL 57 10.968 1.776 24.528 465 HG23 VAL 57 HG23 VAL 57 12.018 3.028 25.191 466 H ASP 58 H ASP 58 10.036 0.636 28.703 467 HA ASP 58 HA ASP 58 11.751 -1.263 30.097 468 HB2 ASP 58 HB2 ASP 58 11.338 1.059 30.977 469 HB3 ASP 58 HB3 ASP 58 9.668 0.584 31.273 470 H LEU 59 H LEU 59 8.258 -0.526 30.058 471 HA LEU 59 HA LEU 59 7.421 -2.841 31.365 472 HB2 LEU 59 HB2 LEU 59 5.467 -1.817 31.189 473 HB3 LEU 59 HB3 LEU 59 6.222 -0.616 30.143 474 HG LEU 59 HG LEU 59 5.102 -3.178 29.046 475 HD11 LEU 59 HD11 LEU 59 3.649 -0.593 29.571 476 HD12 LEU 59 HD12 LEU 59 3.270 -2.186 30.223 477 HD13 LEU 59 HD13 LEU 59 3.062 -1.866 28.502 478 HD21 LEU 59 HD21 LEU 59 5.698 -2.339 27.077 479 HD22 LEU 59 HD22 LEU 59 6.570 -1.077 27.947 480 HD23 LEU 59 HD23 LEU 59 4.907 -0.802 27.425 481 H ALA 60 H ALA 60 8.170 -2.265 27.991 482 HA ALA 60 HA ALA 60 7.035 -4.611 26.919 483 HB1 ALA 60 HB1 ALA 60 7.622 -2.832 25.446 484 HB2 ALA 60 HB2 ALA 60 9.310 -2.889 25.956 485 HB3 ALA 60 HB3 ALA 60 8.625 -4.222 25.027 486 H GLU 61 H GLU 61 10.303 -3.901 28.112 487 HA GLU 61 HA GLU 61 11.524 -6.314 27.468 488 HB2 GLU 61 HB2 GLU 61 12.063 -4.072 29.246 489 HB3 GLU 61 HB3 GLU 61 12.653 -5.592 29.901 490 HG2 GLU 61 HG2 GLU 61 13.573 -5.830 27.409 491 HG3 GLU 61 HG3 GLU 61 13.545 -4.072 27.533 492 H LEU 62 H LEU 62 9.389 -5.495 30.118 493 HA LEU 62 HA LEU 62 9.869 -7.879 31.620 494 HB2 LEU 62 HB2 LEU 62 9.041 -5.843 32.672 495 HB3 LEU 62 HB3 LEU 62 7.570 -5.930 31.703 496 HG LEU 62 HG LEU 62 7.486 -6.677 34.167 497 HD11 LEU 62 HD11 LEU 62 6.393 -8.867 32.545 498 HD12 LEU 62 HD12 LEU 62 5.963 -7.246 32.002 499 HD13 LEU 62 HD13 LEU 62 5.585 -7.753 33.648 500 HD21 LEU 62 HD21 LEU 62 8.178 -8.869 34.689 501 HD22 LEU 62 HD22 LEU 62 9.554 -8.117 33.881 502 HD23 LEU 62 HD23 LEU 62 8.524 -9.247 33.001 503 H LEU 63 H LEU 63 7.352 -6.826 29.357 504 HA LEU 63 HA LEU 63 5.717 -9.101 29.563 505 HB2 LEU 63 HB2 LEU 63 5.374 -6.776 28.390 506 HB3 LEU 63 HB3 LEU 63 5.988 -7.635 26.980 507 HG LEU 63 HG LEU 63 3.490 -8.255 28.550 508 HD11 LEU 63 HD11 LEU 63 3.935 -6.487 26.469 509 HD12 LEU 63 HD12 LEU 63 2.379 -7.140 26.980 510 HD13 LEU 63 HD13 LEU 63 3.279 -7.922 25.681 511 HD21 LEU 63 HD21 LEU 63 4.147 -10.381 27.995 512 HD22 LEU 63 HD22 LEU 63 5.028 -9.854 26.560 513 HD23 LEU 63 HD23 LEU 63 3.265 -9.923 26.537 514 H ILE 64 H ILE 64 8.242 -8.293 27.185 515 HA ILE 64 HA ILE 64 8.107 -10.615 25.662 516 HB ILE 64 HB ILE 64 10.374 -10.143 24.932 517 HG12 ILE 64 HG12 ILE 64 10.454 -8.096 27.159 518 HG13 ILE 64 HG13 ILE 64 11.315 -9.631 27.168 519 HG21 ILE 64 HG21 ILE 64 8.204 -8.369 24.804 520 HG22 ILE 64 HG22 ILE 64 9.640 -7.375 25.047 521 HG23 ILE 64 HG23 ILE 64 9.562 -8.495 23.686 522 HD11 ILE 64 HD11 ILE 64 12.735 -7.713 26.568 523 HD12 ILE 64 HD12 ILE 64 12.658 -8.937 25.300 524 HD13 ILE 64 HD13 ILE 64 11.730 -7.445 25.144 525 H SER 65 H SER 65 9.683 -10.010 28.734 526 HA SER 65 HA SER 65 11.131 -12.493 28.743 527 HB2 SER 65 HB2 SER 65 12.154 -11.694 30.609 528 HB3 SER 65 HB3 SER 65 11.452 -10.161 30.092 529 HG SER 65 HG SER 65 9.850 -10.387 31.568 530 H LYS 66 H LYS 66 8.035 -11.355 29.871 531 HA LYS 66 HA LYS 66 7.352 -13.227 31.770 532 HB2 LYS 66 HB2 LYS 66 5.837 -11.454 31.365 533 HB3 LYS 66 HB3 LYS 66 5.700 -11.855 29.658 534 HG2 LYS 66 HG2 LYS 66 3.690 -12.479 30.863 535 HG3 LYS 66 HG3 LYS 66 4.510 -13.908 30.230 536 HD2 LYS 66 HD2 LYS 66 5.606 -13.547 32.756 537 HD3 LYS 66 HD3 LYS 66 3.891 -13.185 32.969 538 HE2 LYS 66 HE2 LYS 66 5.111 -15.701 31.846 539 HE3 LYS 66 HE3 LYS 66 4.221 -15.525 33.358 540 HZ1 LYS 66 HZ1 LYS 66 2.812 -16.489 31.686 541 HZ2 LYS 66 HZ2 LYS 66 3.116 -15.213 30.619 542 HZ3 LYS 66 HZ3 LYS 66 2.250 -14.935 32.045 543 H TYR 67 H TYR 67 6.461 -13.485 28.322 544 HA TYR 67 HA TYR 67 6.670 -16.412 28.596 545 HB2 TYR 67 HB2 TYR 67 4.313 -15.385 28.343 546 HB3 TYR 67 HB3 TYR 67 4.781 -15.073 26.675 547 HD1 TYR 67 HD1 TYR 67 5.828 -17.202 25.447 548 HD2 TYR 67 HD2 TYR 67 3.197 -17.352 28.788 549 HE1 TYR 67 HE1 TYR 67 5.190 -19.498 24.834 550 HE2 TYR 67 HE2 TYR 67 2.553 -19.648 28.185 551 HH TYR 67 HH TYR 67 3.706 -21.160 25.216 552 H GLY 68 H GLY 68 6.981 -13.624 26.446 553 HA2 GLY 68 HA2 GLY 68 9.333 -14.343 25.239 554 HA3 GLY 68 HA3 GLY 68 8.093 -15.137 24.279 555 H GLU 69 H GLU 69 9.985 -12.939 23.628 556 HA GLU 69 HA GLU 69 8.628 -10.484 23.454 557 HB2 GLU 69 HB2 GLU 69 10.284 -10.001 21.606 558 HB3 GLU 69 HB3 GLU 69 10.981 -10.469 23.151 559 HG2 GLU 69 HG2 GLU 69 11.618 -12.561 22.376 560 HG3 GLU 69 HG3 GLU 69 10.497 -12.505 21.016 561 H LYS 70 H LYS 70 8.538 -13.352 21.479 562 HA LYS 70 HA LYS 70 7.441 -12.298 19.132 563 HB2 LYS 70 HB2 LYS 70 7.080 -15.014 20.407 564 HB3 LYS 70 HB3 LYS 70 6.539 -14.612 18.783 565 HG2 LYS 70 HG2 LYS 70 9.381 -14.594 19.778 566 HG3 LYS 70 HG3 LYS 70 8.648 -15.779 18.695 567 HD2 LYS 70 HD2 LYS 70 9.282 -14.512 16.979 568 HD3 LYS 70 HD3 LYS 70 8.156 -13.273 17.537 569 HE2 LYS 70 HE2 LYS 70 9.836 -12.162 18.766 570 HE3 LYS 70 HE3 LYS 70 10.942 -13.529 18.637 571 HZ1 LYS 70 HZ1 LYS 70 11.457 -11.624 17.143 572 HZ2 LYS 70 HZ2 LYS 70 10.023 -11.943 16.305 573 HZ3 LYS 70 HZ3 LYS 70 11.258 -13.099 16.339 574 H GLU 71 H GLU 71 5.517 -14.321 21.321 575 HA GLU 71 HA GLU 71 3.038 -13.439 20.528 576 HB2 GLU 71 HB2 GLU 71 2.222 -14.213 22.752 577 HB3 GLU 71 HB3 GLU 71 3.253 -15.377 21.933 578 HG2 GLU 71 HG2 GLU 71 4.449 -15.502 23.787 579 HG3 GLU 71 HG3 GLU 71 4.992 -13.854 23.477 580 H ALA 72 H ALA 72 5.324 -11.868 22.609 581 HA ALA 72 HA ALA 72 3.787 -10.143 24.093 582 HB1 ALA 72 HB1 ALA 72 6.402 -10.433 23.819 583 HB2 ALA 72 HB2 ALA 72 6.206 -9.011 22.793 584 HB3 ALA 72 HB3 ALA 72 5.696 -8.958 24.481 585 H VAL 73 H VAL 73 5.232 -9.275 20.944 586 HA VAL 73 HA VAL 73 3.820 -6.903 20.582 587 HB VAL 73 HB VAL 73 5.081 -8.805 18.627 588 HG11 VAL 73 HG11 VAL 73 4.728 -6.615 17.116 589 HG12 VAL 73 HG12 VAL 73 3.618 -7.986 17.109 590 HG13 VAL 73 HG13 VAL 73 3.249 -6.556 18.075 591 HG21 VAL 73 HG21 VAL 73 5.986 -6.650 20.235 592 HG22 VAL 73 HG22 VAL 73 6.906 -7.628 19.092 593 HG23 VAL 73 HG23 VAL 73 6.104 -6.155 18.547 594 H LYS 74 H LYS 74 2.937 -10.217 19.819 595 HA LYS 74 HA LYS 74 0.669 -9.637 18.237 596 HB2 LYS 74 HB2 LYS 74 0.949 -12.091 19.956 597 HB3 LYS 74 HB3 LYS 74 0.134 -11.931 18.406 598 HG2 LYS 74 HG2 LYS 74 2.519 -11.357 17.527 599 HG3 LYS 74 HG3 LYS 74 3.045 -12.175 19.000 600 HD2 LYS 74 HD2 LYS 74 1.215 -13.351 16.907 601 HD3 LYS 74 HD3 LYS 74 2.937 -13.699 17.068 602 HE2 LYS 74 HE2 LYS 74 2.623 -15.069 18.829 603 HE3 LYS 74 HE3 LYS 74 1.358 -14.054 19.522 604 HZ1 LYS 74 HZ1 LYS 74 -0.194 -15.355 18.655 605 HZ2 LYS 74 HZ2 LYS 74 1.019 -16.443 18.204 606 HZ3 LYS 74 HZ3 LYS 74 0.485 -15.271 17.108 607 H VAL 75 H VAL 75 1.094 -10.183 21.705 608 HA VAL 75 HA VAL 75 -1.606 -10.220 22.443 609 HB VAL 75 HB VAL 75 0.844 -9.357 23.975 610 HG11 VAL 75 HG11 VAL 75 -0.719 -8.233 25.209 611 HG12 VAL 75 HG12 VAL 75 -2.028 -9.323 24.750 612 HG13 VAL 75 HG13 VAL 75 -0.839 -9.827 25.952 613 HG21 VAL 75 HG21 VAL 75 -0.195 -11.868 23.249 614 HG22 VAL 75 HG22 VAL 75 1.136 -11.527 24.354 615 HG23 VAL 75 HG23 VAL 75 -0.508 -11.676 24.974 616 H VAL 76 H VAL 76 0.452 -7.613 21.497 617 HA VAL 76 HA VAL 76 -1.159 -5.534 22.671 618 HB VAL 76 HB VAL 76 1.274 -5.629 20.971 619 HG11 VAL 76 HG11 VAL 76 0.132 -4.123 19.602 620 HG12 VAL 76 HG12 VAL 76 -0.692 -3.363 20.966 621 HG13 VAL 76 HG13 VAL 76 1.032 -3.087 20.710 622 HG21 VAL 76 HG21 VAL 76 0.389 -4.344 23.521 623 HG22 VAL 76 HG22 VAL 76 1.775 -5.391 23.216 624 HG23 VAL 76 HG23 VAL 76 1.796 -3.718 22.660 625 H LEU 77 H LEU 77 -0.519 -6.630 19.340 626 HA LEU 77 HA LEU 77 -2.471 -4.936 18.167 627 HB2 LEU 77 HB2 LEU 77 -2.194 -6.509 16.196 628 HB3 LEU 77 HB3 LEU 77 -0.758 -5.647 16.745 629 HG LEU 77 HG LEU 77 -0.650 -8.043 18.125 630 HD11 LEU 77 HD11 LEU 77 -2.167 -9.312 16.989 631 HD12 LEU 77 HD12 LEU 77 -0.747 -9.574 15.978 632 HD13 LEU 77 HD13 LEU 77 -1.973 -8.405 15.489 633 HD21 LEU 77 HD21 LEU 77 1.000 -6.554 16.621 634 HD22 LEU 77 HD22 LEU 77 0.734 -7.907 15.521 635 HD23 LEU 77 HD23 LEU 77 1.376 -8.198 17.138 636 H LYS 78 H LYS 78 -2.448 -8.440 18.812 637 HA LYS 78 HA LYS 78 -4.947 -9.119 17.916 638 HB2 LYS 78 HB2 LYS 78 -3.052 -10.517 19.101 639 HB3 LYS 78 HB3 LYS 78 -4.032 -10.236 20.534 640 HG2 LYS 78 HG2 LYS 78 -5.721 -11.099 18.400 641 HG3 LYS 78 HG3 LYS 78 -4.362 -12.214 18.563 642 HD2 LYS 78 HD2 LYS 78 -5.720 -13.149 20.120 643 HD3 LYS 78 HD3 LYS 78 -4.989 -11.915 21.150 644 HE2 LYS 78 HE2 LYS 78 -7.339 -11.827 21.504 645 HE3 LYS 78 HE3 LYS 78 -6.904 -10.413 20.544 646 HZ1 LYS 78 HZ1 LYS 78 -8.292 -11.061 18.965 647 HZ2 LYS 78 HZ2 LYS 78 -8.797 -12.346 19.941 648 HZ3 LYS 78 HZ3 LYS 78 -7.535 -12.569 18.837 649 H GLY 79 H GLY 79 -4.099 -7.709 21.057 650 HA2 GLY 79 HA2 GLY 79 -6.869 -7.668 21.907 651 HA3 GLY 79 HA3 GLY 79 -5.490 -7.055 22.807 652 H LEU 80 H LEU 80 -4.687 -5.539 20.292 653 HA LEU 80 HA LEU 80 -6.005 -3.102 20.988 654 HB2 LEU 80 HB2 LEU 80 -3.840 -3.942 19.173 655 HB3 LEU 80 HB3 LEU 80 -4.725 -2.497 18.691 656 HG LEU 80 HG LEU 80 -3.251 -2.891 21.295 657 HD11 LEU 80 HD11 LEU 80 -2.615 -1.021 19.024 658 HD12 LEU 80 HD12 LEU 80 -1.860 -2.601 19.227 659 HD13 LEU 80 HD13 LEU 80 -1.643 -1.357 20.457 660 HD21 LEU 80 HD21 LEU 80 -4.504 -1.240 22.089 661 HD22 LEU 80 HD22 LEU 80 -5.341 -1.072 20.546 662 HD23 LEU 80 HD23 LEU 80 -3.843 -0.187 20.838 663 H LYS 81 H LYS 81 -6.397 -5.512 18.503 664 HA LYS 81 HA LYS 81 -7.810 -4.135 16.569 665 HB2 LYS 81 HB2 LYS 81 -7.786 -6.961 17.511 666 HB3 LYS 81 HB3 LYS 81 -9.080 -6.470 16.425 667 HG2 LYS 81 HG2 LYS 81 -6.463 -5.588 15.520 668 HG3 LYS 81 HG3 LYS 81 -6.581 -7.342 15.687 669 HD2 LYS 81 HD2 LYS 81 -8.740 -5.803 14.296 670 HD3 LYS 81 HD3 LYS 81 -7.254 -6.225 13.441 671 HE2 LYS 81 HE2 LYS 81 -8.058 -8.562 14.750 672 HE3 LYS 81 HE3 LYS 81 -9.535 -7.867 14.085 673 HZ1 LYS 81 HZ1 LYS 81 -8.432 -7.746 11.920 674 HZ2 LYS 81 HZ2 LYS 81 -8.513 -9.335 12.491 675 HZ3 LYS 81 HZ3 LYS 81 -7.055 -8.481 12.572 676 H VAL 82 H VAL 82 -9.230 -5.969 19.284 677 HA VAL 82 HA VAL 82 -11.871 -5.135 18.870 678 HB VAL 82 HB VAL 82 -10.791 -5.735 21.609 679 HG11 VAL 82 HG11 VAL 82 -13.145 -7.125 21.137 680 HG12 VAL 82 HG12 VAL 82 -12.971 -5.630 22.058 681 HG13 VAL 82 HG13 VAL 82 -13.391 -5.569 20.345 682 HG21 VAL 82 HG21 VAL 82 -9.765 -7.454 20.409 683 HG22 VAL 82 HG22 VAL 82 -11.278 -8.174 20.959 684 HG23 VAL 82 HG23 VAL 82 -11.122 -7.614 19.294 685 H MET 83 H MET 83 -9.247 -3.294 19.760 686 HA MET 83 HA MET 83 -10.861 -1.391 21.307 687 HB2 MET 83 HB2 MET 83 -7.946 -1.967 21.115 688 HB3 MET 83 HB3 MET 83 -8.430 -0.314 21.467 689 HG2 MET 83 HG2 MET 83 -9.193 -2.756 23.051 690 HG3 MET 83 HG3 MET 83 -7.980 -1.560 23.501 691 HE1 MET 83 HE1 MET 83 -8.245 0.640 23.871 692 HE2 MET 83 HE2 MET 83 -9.717 1.604 23.763 693 HE3 MET 83 HE3 MET 83 -9.259 0.863 25.297 694 H ASN 84 H ASN 84 -9.913 -1.978 18.185 695 HA ASN 84 HA ASN 84 -10.056 -0.761 16.266 696 HB2 ASN 84 HB2 ASN 84 -11.966 0.341 17.818 697 HB3 ASN 84 HB3 ASN 84 -10.916 1.739 17.608 698 HD21 ASN 84 HD21 ASN 84 -13.590 0.432 16.462 699 HD22 ASN 84 HD22 ASN 84 -13.511 0.908 14.803 700 H LEU 85 H LEU 85 -7.594 -0.958 17.203 701 HA LEU 85 HA LEU 85 -6.461 1.753 16.979 702 HB2 LEU 85 HB2 LEU 85 -5.818 -0.524 18.728 703 HB3 LEU 85 HB3 LEU 85 -4.428 0.295 18.016 704 HG LEU 85 HG LEU 85 -4.665 1.370 20.048 705 HD11 LEU 85 HD11 LEU 85 -5.071 3.555 19.505 706 HD12 LEU 85 HD12 LEU 85 -6.514 3.172 18.567 707 HD13 LEU 85 HD13 LEU 85 -4.915 2.852 17.895 708 HD21 LEU 85 HD21 LEU 85 -7.229 0.326 20.024 709 HD22 LEU 85 HD22 LEU 85 -7.478 2.072 20.053 710 HD23 LEU 85 HD23 LEU 85 -6.503 1.299 21.304 711 H LEU 86 H LEU 86 -7.196 -0.208 14.864 712 HA LEU 86 HA LEU 86 -4.910 -1.436 13.793 713 HB2 LEU 86 HB2 LEU 86 -7.379 -0.388 12.419 714 HB3 LEU 86 HB3 LEU 86 -6.166 -1.410 11.651 715 HG LEU 86 HG LEU 86 -6.883 -2.873 13.868 716 HD11 LEU 86 HD11 LEU 86 -9.424 -2.928 13.577 717 HD12 LEU 86 HD12 LEU 86 -9.247 -1.327 12.858 718 HD13 LEU 86 HD13 LEU 86 -8.734 -1.608 14.522 719 HD21 LEU 86 HD21 LEU 86 -6.535 -3.891 11.769 720 HD22 LEU 86 HD22 LEU 86 -7.813 -2.942 11.008 721 HD23 LEU 86 HD23 LEU 86 -8.223 -4.199 12.177 722 H GLU 87 H GLU 87 -5.740 1.842 14.040 723 HA GLU 87 HA GLU 87 -4.703 2.997 11.752 724 HB2 GLU 87 HB2 GLU 87 -5.817 4.403 13.298 725 HB3 GLU 87 HB3 GLU 87 -4.745 3.939 14.611 726 HG2 GLU 87 HG2 GLU 87 -3.255 5.509 14.096 727 HG3 GLU 87 HG3 GLU 87 -3.333 5.143 12.374 728 H LEU 88 H LEU 88 -2.867 3.124 14.785 729 HA LEU 88 HA LEU 88 -0.380 3.320 13.420 730 HB2 LEU 88 HB2 LEU 88 0.571 3.643 15.479 731 HB3 LEU 88 HB3 LEU 88 -1.090 4.149 15.782 732 HG LEU 88 HG LEU 88 -0.333 2.867 17.652 733 HD11 LEU 88 HD11 LEU 88 -2.294 1.841 17.844 734 HD12 LEU 88 HD12 LEU 88 -1.887 0.684 16.578 735 HD13 LEU 88 HD13 LEU 88 -2.589 2.245 16.153 736 HD21 LEU 88 HD21 LEU 88 1.017 1.093 17.536 737 HD22 LEU 88 HD22 LEU 88 1.233 1.520 15.838 738 HD23 LEU 88 HD23 LEU 88 0.030 0.314 16.299 739 H VAL 89 H VAL 89 -2.252 0.685 14.680 740 HA VAL 89 HA VAL 89 -0.220 -1.249 14.926 741 HB VAL 89 HB VAL 89 -3.181 -1.336 14.662 742 HG11 VAL 89 HG11 VAL 89 -2.728 -3.079 13.154 743 HG12 VAL 89 HG12 VAL 89 -1.357 -3.657 14.103 744 HG13 VAL 89 HG13 VAL 89 -3.001 -3.877 14.703 745 HG21 VAL 89 HG21 VAL 89 -1.543 -1.258 16.775 746 HG22 VAL 89 HG22 VAL 89 -3.120 -2.045 16.815 747 HG23 VAL 89 HG23 VAL 89 -1.661 -3.006 16.572 748 H ASP 90 H ASP 90 -1.967 -0.014 12.178 749 HA ASP 90 HA ASP 90 -1.796 -1.929 10.275 750 HB2 ASP 90 HB2 ASP 90 -2.362 0.695 10.194 751 HB3 ASP 90 HB3 ASP 90 -0.776 0.729 9.427 752 H GLN 91 H GLN 91 0.864 0.287 11.118 753 HA GLN 91 HA GLN 91 2.733 -1.115 9.446 754 HB2 GLN 91 HB2 GLN 91 2.649 1.374 10.868 755 HB3 GLN 91 HB3 GLN 91 4.119 0.512 11.300 756 HG2 GLN 91 HG2 GLN 91 4.614 0.259 8.882 757 HG3 GLN 91 HG3 GLN 91 3.211 1.268 8.535 758 HE21 GLN 91 HE21 GLN 91 6.477 1.181 9.602 759 HE22 GLN 91 HE22 GLN 91 6.720 2.889 9.706 760 H LEU 92 H LEU 92 2.636 -0.535 12.967 761 HA LEU 92 HA LEU 92 4.609 -2.044 13.920 762 HB2 LEU 92 HB2 LEU 92 3.176 -1.021 15.475 763 HB3 LEU 92 HB3 LEU 92 1.768 -1.894 14.875 764 HG LEU 92 HG LEU 92 2.738 -2.558 17.155 765 HD11 LEU 92 HD11 LEU 92 1.328 -3.930 15.238 766 HD12 LEU 92 HD12 LEU 92 1.577 -4.445 16.906 767 HD13 LEU 92 HD13 LEU 92 2.644 -5.037 15.632 768 HD21 LEU 92 HD21 LEU 92 5.078 -2.748 15.787 769 HD22 LEU 92 HD22 LEU 92 4.542 -4.428 15.794 770 HD23 LEU 92 HD23 LEU 92 4.740 -3.559 17.316 771 H SER 93 H SER 93 1.495 -3.406 12.875 772 HA SER 93 HA SER 93 2.156 -6.098 13.390 773 HB2 SER 93 HB2 SER 93 0.261 -6.594 11.800 774 HB3 SER 93 HB3 SER 93 -0.154 -5.502 13.121 775 HG SER 93 HG SER 93 -0.848 -4.878 10.930 776 H HIS 94 H HIS 94 2.244 -4.201 10.381 777 HA HIS 94 HA HIS 94 3.351 -6.319 8.828 778 HB2 HIS 94 HB2 HIS 94 2.829 -3.410 8.407 779 HB3 HIS 94 HB3 HIS 94 3.935 -4.228 7.307 780 HD1 HIS 94 HD1 HIS 94 1.982 -3.591 5.538 781 HD2 HIS 94 HD2 HIS 94 1.089 -6.541 8.325 782 HE1 HIS 94 HE1 HIS 94 -0.020 -4.802 4.617 783 H ILE 95 H ILE 95 4.676 -4.577 11.269 784 HA ILE 95 HA ILE 95 7.370 -4.580 10.084 785 HB ILE 95 HB ILE 95 6.321 -3.116 12.507 786 HG12 ILE 95 HG12 ILE 95 5.705 -2.217 10.248 787 HG13 ILE 95 HG13 ILE 95 6.667 -1.112 11.224 788 HG21 ILE 95 HG21 ILE 95 8.531 -3.680 13.060 789 HG22 ILE 95 HG22 ILE 95 9.102 -3.404 11.415 790 HG23 ILE 95 HG23 ILE 95 8.628 -2.038 12.424 791 HD11 ILE 95 HD11 ILE 95 7.372 -1.141 8.886 792 HD12 ILE 95 HD12 ILE 95 8.651 -1.697 9.965 793 HD13 ILE 95 HD13 ILE 95 7.727 -2.863 9.018 794 H CYS 96 H CYS 96 5.370 -5.957 12.554 795 HA CYS 96 HA CYS 96 7.695 -7.411 13.631 796 HB2 CYS 96 HB2 CYS 96 5.231 -6.333 14.888 797 HB3 CYS 96 HB3 CYS 96 5.808 -7.884 15.486 798 HG CYS 96 HG CYS 96 7.606 -4.972 15.449 799 H LEU 97 H LEU 97 6.054 -8.020 11.223 800 HA LEU 97 HA LEU 97 5.292 -9.885 10.165 801 HB2 LEU 97 HB2 LEU 97 6.917 -10.844 12.252 802 HB3 LEU 97 HB3 LEU 97 5.459 -11.833 12.264 803 HG LEU 97 HG LEU 97 7.116 -11.395 9.789 804 HD11 LEU 97 HD11 LEU 97 7.992 -13.696 10.267 805 HD12 LEU 97 HD12 LEU 97 7.343 -13.529 11.898 806 HD13 LEU 97 HD13 LEU 97 8.597 -12.427 11.331 807 HD21 LEU 97 HD21 LEU 97 5.787 -12.940 8.781 808 HD22 LEU 97 HD22 LEU 97 4.615 -12.279 9.922 809 HD23 LEU 97 HD23 LEU 97 5.444 -13.793 10.286 810 H HIS 98 H HIS 98 3.166 -9.619 9.861 811 HA HIS 98 HA HIS 98 1.303 -9.796 12.076 812 HB2 HIS 98 HB2 HIS 98 -0.360 -9.039 10.550 813 HB3 HIS 98 HB3 HIS 98 1.099 -8.123 10.185 814 HD1 HIS 98 HD1 HIS 98 -1.241 -10.633 8.754 815 HD2 HIS 98 HD2 HIS 98 2.304 -8.737 7.705 816 HE1 HIS 98 HE1 HIS 98 -0.932 -11.094 6.302 817 H ASP 99 H ASP 99 2.506 -11.802 9.535 818 HA ASP 99 HA ASP 99 0.432 -13.613 9.182 819 HB2 ASP 99 HB2 ASP 99 2.908 -13.407 8.162 820 HB3 ASP 99 HB3 ASP 99 3.185 -14.721 9.302 821 H TYR 100 H TYR 100 2.534 -13.155 11.886 822 HA TYR 100 HA TYR 100 2.210 -15.724 13.065 823 HB2 TYR 100 HB2 TYR 100 3.500 -13.208 13.741 824 HB3 TYR 100 HB3 TYR 100 2.728 -13.942 15.143 825 HD1 TYR 100 HD1 TYR 100 4.464 -15.491 12.224 826 HD2 TYR 100 HD2 TYR 100 4.413 -14.874 16.433 827 HE1 TYR 100 HE1 TYR 100 6.373 -17.024 12.465 828 HE2 TYR 100 HE2 TYR 100 6.322 -16.404 16.686 829 HH TYR 100 HH TYR 100 8.304 -17.282 14.307 830 H ARG 101 H ARG 101 0.323 -12.814 13.029 831 HA ARG 101 HA ARG 101 -1.407 -13.804 15.174 832 HB2 ARG 101 HB2 ARG 101 -0.949 -11.541 15.537 833 HB3 ARG 101 HB3 ARG 101 -1.071 -11.144 13.828 834 HG2 ARG 101 HG2 ARG 101 -2.983 -10.225 14.817 835 HG3 ARG 101 HG3 ARG 101 -3.539 -11.702 14.028 836 HD2 ARG 101 HD2 ARG 101 -2.890 -12.642 16.485 837 HD3 ARG 101 HD3 ARG 101 -3.414 -11.006 16.883 838 HE ARG 101 HE ARG 101 -5.073 -13.180 16.141 839 HH11 ARG 101 HH11 ARG 101 -4.720 -9.736 15.770 840 HH12 ARG 101 HH12 ARG 101 -6.414 -9.455 15.544 841 HH21 ARG 101 HH21 ARG 101 -7.306 -12.823 15.845 842 HH22 ARG 101 HH22 ARG 101 -7.885 -11.212 15.588 843 H GLU 102 H GLU 102 -3.498 -14.414 14.857 844 HA GLU 102 HA GLU 102 -4.256 -15.122 12.173 845 HB2 GLU 102 HB2 GLU 102 -5.626 -15.468 14.840 846 HB3 GLU 102 HB3 GLU 102 -6.319 -16.019 13.321 847 HG2 GLU 102 HG2 GLU 102 -4.338 -17.446 12.973 848 HG3 GLU 102 HG3 GLU 102 -3.733 -16.944 14.550 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -2.287 15.341 18.245 2 HA2 GLY 1 HA2 GLY 1 -1.152 16.863 16.067 3 HA3 GLY 1 HA3 GLY 1 0.043 16.215 17.181 4 H ALA 2 H ALA 2 -0.471 13.780 17.731 5 HA ALA 2 HA ALA 2 -0.400 11.634 16.975 6 HB1 ALA 2 HB1 ALA 2 -2.692 11.635 16.655 7 HB2 ALA 2 HB2 ALA 2 -2.613 12.807 15.339 8 HB3 ALA 2 HB3 ALA 2 -2.088 11.144 15.073 9 H MET 3 H MET 3 1.815 12.380 16.241 10 HA MET 3 HA MET 3 2.038 12.125 13.314 11 HB2 MET 3 HB2 MET 3 4.079 13.421 15.116 12 HB3 MET 3 HB3 MET 3 4.005 13.475 13.360 13 HG2 MET 3 HG2 MET 3 2.896 15.376 13.504 14 HG3 MET 3 HG3 MET 3 1.566 14.509 14.269 15 HE1 MET 3 HE1 MET 3 3.271 17.271 14.154 16 HE2 MET 3 HE2 MET 3 2.361 17.947 15.505 17 HE3 MET 3 HE3 MET 3 4.102 17.705 15.648 18 H ALA 4 H ALA 4 5.059 12.013 14.000 19 HA ALA 4 HA ALA 4 6.663 10.438 14.406 20 HB1 ALA 4 HB1 ALA 4 6.346 8.804 16.020 21 HB2 ALA 4 HB2 ALA 4 5.178 10.042 16.485 22 HB3 ALA 4 HB3 ALA 4 4.639 8.601 15.623 23 H MET 5 H MET 5 6.335 10.373 11.983 24 HA MET 5 HA MET 5 5.897 7.591 11.204 25 HB2 MET 5 HB2 MET 5 4.736 9.853 9.582 26 HB3 MET 5 HB3 MET 5 4.497 8.127 9.347 27 HG2 MET 5 HG2 MET 5 3.503 8.279 11.780 28 HG3 MET 5 HG3 MET 5 3.264 9.965 11.324 29 HE1 MET 5 HE1 MET 5 -0.350 8.740 10.811 30 HE2 MET 5 HE2 MET 5 0.767 8.431 12.141 31 HE3 MET 5 HE3 MET 5 0.688 10.035 11.410 32 H ALA 6 H ALA 6 8.229 7.639 11.149 33 HA ALA 6 HA ALA 6 9.243 8.145 8.545 34 HB1 ALA 6 HB1 ALA 6 10.732 9.785 10.520 35 HB2 ALA 6 HB2 ALA 6 10.526 10.011 8.782 36 HB3 ALA 6 HB3 ALA 6 9.218 10.431 9.887 37 H LYS 7 H LYS 7 11.963 8.325 9.115 38 HA LYS 7 HA LYS 7 13.771 7.053 9.650 39 HB2 LYS 7 HB2 LYS 7 12.047 6.101 11.945 40 HB3 LYS 7 HB3 LYS 7 13.789 5.901 11.814 41 HG2 LYS 7 HG2 LYS 7 13.922 7.775 13.005 42 HG3 LYS 7 HG3 LYS 7 13.481 8.606 11.511 43 HD2 LYS 7 HD2 LYS 7 11.164 8.617 12.131 44 HD3 LYS 7 HD3 LYS 7 11.485 7.593 13.533 45 HE2 LYS 7 HE2 LYS 7 13.189 9.828 13.747 46 HE3 LYS 7 HE3 LYS 7 11.597 10.446 13.310 47 HZ1 LYS 7 HZ1 LYS 7 11.086 8.574 15.225 48 HZ2 LYS 7 HZ2 LYS 7 11.109 10.249 15.455 49 HZ3 LYS 7 HZ3 LYS 7 12.491 9.331 15.785 50 H ALA 8 H ALA 8 14.575 4.812 9.714 51 HA ALA 8 HA ALA 8 13.315 3.192 7.811 52 HB1 ALA 8 HB1 ALA 8 15.730 3.135 8.328 53 HB2 ALA 8 HB2 ALA 8 15.359 2.333 9.855 54 HB3 ALA 8 HB3 ALA 8 14.991 1.534 8.327 55 H ARG 9 H ARG 9 13.245 0.631 8.614 56 HA ARG 9 HA ARG 9 10.935 0.608 10.410 57 HB2 ARG 9 HB2 ARG 9 10.670 -1.753 9.537 58 HB3 ARG 9 HB3 ARG 9 10.478 -0.472 8.347 59 HG2 ARG 9 HG2 ARG 9 12.709 -0.869 7.505 60 HG3 ARG 9 HG3 ARG 9 12.987 -2.085 8.753 61 HD2 ARG 9 HD2 ARG 9 11.609 -3.626 7.751 62 HD3 ARG 9 HD3 ARG 9 10.640 -2.392 6.946 63 HE ARG 9 HE ARG 9 13.163 -2.253 5.828 64 HH11 ARG 9 HH11 ARG 9 10.617 -4.611 6.115 65 HH12 ARG 9 HH12 ARG 9 11.008 -5.405 4.625 66 HH21 ARG 9 HH21 ARG 9 13.687 -3.291 3.865 67 HH22 ARG 9 HH22 ARG 9 12.754 -4.654 3.347 68 H LYS 10 H LYS 10 10.950 -0.338 12.362 69 HA LYS 10 HA LYS 10 13.365 -1.841 13.138 70 HB2 LYS 10 HB2 LYS 10 12.912 -0.961 15.466 71 HB3 LYS 10 HB3 LYS 10 13.468 0.229 14.297 72 HG2 LYS 10 HG2 LYS 10 10.594 0.081 14.306 73 HG3 LYS 10 HG3 LYS 10 11.217 0.382 15.930 74 HD2 LYS 10 HD2 LYS 10 12.738 2.113 14.609 75 HD3 LYS 10 HD3 LYS 10 11.380 2.060 13.482 76 HE2 LYS 10 HE2 LYS 10 11.193 2.664 16.432 77 HE3 LYS 10 HE3 LYS 10 11.142 3.859 15.138 78 HZ1 LYS 10 HZ1 LYS 10 9.030 2.355 16.196 79 HZ2 LYS 10 HZ2 LYS 10 9.233 1.896 14.581 80 HZ3 LYS 10 HZ3 LYS 10 8.976 3.522 14.972 81 HA PRO 11 HA PRO 11 10.497 -5.121 13.950 82 HB2 PRO 11 HB2 PRO 11 12.252 -6.786 15.183 83 HB3 PRO 11 HB3 PRO 11 12.227 -6.542 13.433 84 HG2 PRO 11 HG2 PRO 11 14.023 -5.317 15.491 85 HG3 PRO 11 HG3 PRO 11 14.432 -5.964 13.892 86 HD2 PRO 11 HD2 PRO 11 14.152 -3.312 14.361 87 HD3 PRO 11 HD3 PRO 11 13.740 -4.054 12.802 88 H ARG 12 H ARG 12 12.717 -5.505 16.627 89 HA ARG 12 HA ARG 12 10.682 -5.717 18.548 90 HB2 ARG 12 HB2 ARG 12 13.538 -5.922 18.473 91 HB3 ARG 12 HB3 ARG 12 13.073 -4.938 19.855 92 HG2 ARG 12 HG2 ARG 12 11.733 -6.683 20.751 93 HG3 ARG 12 HG3 ARG 12 11.886 -7.638 19.275 94 HD2 ARG 12 HD2 ARG 12 14.154 -6.903 21.122 95 HD3 ARG 12 HD3 ARG 12 13.333 -8.463 21.090 96 HE ARG 12 HE ARG 12 14.182 -8.111 18.530 97 HH11 ARG 12 HH11 ARG 12 15.738 -8.060 21.643 98 HH12 ARG 12 HH12 ARG 12 17.259 -8.625 21.038 99 HH21 ARG 12 HH21 ARG 12 16.180 -8.855 17.720 100 HH22 ARG 12 HH22 ARG 12 17.510 -9.077 18.806 101 H GLU 13 H GLU 13 12.832 -3.022 17.717 102 HA GLU 13 HA GLU 13 12.082 -1.246 19.722 103 HB2 GLU 13 HB2 GLU 13 13.520 -1.126 17.227 104 HB3 GLU 13 HB3 GLU 13 12.503 0.296 17.406 105 HG2 GLU 13 HG2 GLU 13 13.516 0.490 19.749 106 HG3 GLU 13 HG3 GLU 13 14.731 -0.648 19.168 107 H ALA 14 H ALA 14 10.336 -2.333 16.968 108 HA ALA 14 HA ALA 14 8.546 -0.119 16.750 109 HB1 ALA 14 HB1 ALA 14 7.153 -2.063 15.579 110 HB2 ALA 14 HB2 ALA 14 8.518 -1.268 14.793 111 HB3 ALA 14 HB3 ALA 14 8.740 -2.832 15.578 112 H LEU 15 H LEU 15 8.226 -3.384 18.142 113 HA LEU 15 HA LEU 15 5.634 -3.222 19.069 114 HB2 LEU 15 HB2 LEU 15 6.073 -5.108 20.266 115 HB3 LEU 15 HB3 LEU 15 7.440 -5.128 19.154 116 HG LEU 15 HG LEU 15 8.591 -3.815 21.162 117 HD11 LEU 15 HD11 LEU 15 7.651 -5.366 23.175 118 HD12 LEU 15 HD12 LEU 15 6.163 -5.003 22.303 119 HD13 LEU 15 HD13 LEU 15 7.177 -3.690 22.900 120 HD21 LEU 15 HD21 LEU 15 9.393 -6.041 21.976 121 HD22 LEU 15 HD22 LEU 15 9.507 -5.810 20.231 122 HD23 LEU 15 HD23 LEU 15 8.207 -6.792 20.908 123 H LEU 16 H LEU 16 8.554 -1.849 20.432 124 HA LEU 16 HA LEU 16 7.369 -1.117 22.932 125 HB2 LEU 16 HB2 LEU 16 9.782 0.204 21.747 126 HB3 LEU 16 HB3 LEU 16 9.401 -0.088 23.443 127 HG LEU 16 HG LEU 16 10.068 -2.288 21.495 128 HD11 LEU 16 HD11 LEU 16 12.026 -1.376 23.525 129 HD12 LEU 16 HD12 LEU 16 11.851 -0.407 22.062 130 HD13 LEU 16 HD13 LEU 16 12.288 -2.112 21.943 131 HD21 LEU 16 HD21 LEU 16 9.032 -2.265 24.119 132 HD22 LEU 16 HD22 LEU 16 10.709 -2.803 24.230 133 HD23 LEU 16 HD23 LEU 16 9.578 -3.651 23.174 134 H TRP 17 H TRP 17 7.958 0.509 19.858 135 HA TRP 17 HA TRP 17 7.061 3.068 20.776 136 HB2 TRP 17 HB2 TRP 17 8.645 2.718 18.859 137 HB3 TRP 17 HB3 TRP 17 7.290 2.095 17.922 138 HD1 TRP 17 HD1 TRP 17 5.973 3.830 16.565 139 HE1 TRP 17 HE1 TRP 17 5.843 6.400 16.507 140 HE3 TRP 17 HE3 TRP 17 8.890 4.881 20.629 141 HZ2 TRP 17 HZ2 TRP 17 6.846 8.584 17.988 142 HZ3 TRP 17 HZ3 TRP 17 9.256 7.236 21.241 143 HH2 TRP 17 HH2 TRP 17 8.254 9.048 19.946 144 H ALA 18 H ALA 18 5.578 0.291 19.253 145 HA ALA 18 HA ALA 18 3.139 1.607 18.552 146 HB1 ALA 18 HB1 ALA 18 4.293 -0.996 18.217 147 HB2 ALA 18 HB2 ALA 18 2.636 -1.141 18.805 148 HB3 ALA 18 HB3 ALA 18 2.972 -0.236 17.328 149 H LEU 19 H LEU 19 3.855 -0.868 21.026 150 HA LEU 19 HA LEU 19 1.442 -0.818 22.357 151 HB2 LEU 19 HB2 LEU 19 2.546 -1.814 24.203 152 HB3 LEU 19 HB3 LEU 19 3.341 -2.395 22.741 153 HG LEU 19 HG LEU 19 5.047 -0.490 23.233 154 HD11 LEU 19 HD11 LEU 19 5.187 -0.500 25.891 155 HD12 LEU 19 HD12 LEU 19 3.437 -0.621 25.715 156 HD13 LEU 19 HD13 LEU 19 4.304 0.734 24.992 157 HD21 LEU 19 HD21 LEU 19 5.046 -2.865 25.078 158 HD22 LEU 19 HD22 LEU 19 6.428 -2.030 24.369 159 HD23 LEU 19 HD23 LEU 19 5.365 -2.999 23.348 160 H SER 20 H SER 20 4.030 1.498 22.438 161 HA SER 20 HA SER 20 2.979 2.867 24.770 162 HB2 SER 20 HB2 SER 20 5.478 2.653 24.048 163 HB3 SER 20 HB3 SER 20 5.102 3.997 22.970 164 HG SER 20 HG SER 20 5.099 5.290 24.624 165 H ASP 21 H ASP 21 2.559 2.925 21.384 166 HA ASP 21 HA ASP 21 1.891 5.641 21.000 167 HB2 ASP 21 HB2 ASP 21 2.036 3.325 19.410 168 HB3 ASP 21 HB3 ASP 21 0.378 3.901 19.265 169 H LEU 22 H LEU 22 0.080 2.885 22.161 170 HA LEU 22 HA LEU 22 -2.439 4.329 22.090 171 HB2 LEU 22 HB2 LEU 22 -3.252 2.207 23.259 172 HB3 LEU 22 HB3 LEU 22 -2.724 2.080 21.582 173 HG LEU 22 HG LEU 22 -0.662 1.510 23.610 174 HD11 LEU 22 HD11 LEU 22 -3.046 -0.290 23.218 175 HD12 LEU 22 HD12 LEU 22 -2.517 0.465 24.721 176 HD13 LEU 22 HD13 LEU 22 -1.527 -0.784 23.966 177 HD21 LEU 22 HD21 LEU 22 -1.189 1.008 20.864 178 HD22 LEU 22 HD22 LEU 22 -1.050 -0.543 21.692 179 HD23 LEU 22 HD23 LEU 22 0.261 0.633 21.795 180 H GLU 23 H GLU 23 -3.770 4.532 24.039 181 HA GLU 23 HA GLU 23 -2.286 5.723 26.167 182 HB2 GLU 23 HB2 GLU 23 -5.218 5.184 25.736 183 HB3 GLU 23 HB3 GLU 23 -4.612 5.896 27.225 184 HG2 GLU 23 HG2 GLU 23 -3.446 7.418 25.230 185 HG3 GLU 23 HG3 GLU 23 -5.080 7.111 24.644 186 H GLU 24 H GLU 24 -2.800 5.169 28.494 187 HA GLU 24 HA GLU 24 -2.005 2.486 28.989 188 HB2 GLU 24 HB2 GLU 24 -1.338 4.355 30.442 189 HB3 GLU 24 HB3 GLU 24 -3.015 4.585 30.917 190 HG2 GLU 24 HG2 GLU 24 -1.737 1.928 31.334 191 HG3 GLU 24 HG3 GLU 24 -1.367 3.252 32.437 192 H ASN 25 H ASN 25 -5.069 4.190 29.104 193 HA ASN 25 HA ASN 25 -6.504 2.104 30.425 194 HB2 ASN 25 HB2 ASN 25 -8.422 3.423 30.122 195 HB3 ASN 25 HB3 ASN 25 -7.121 4.602 30.258 196 HD21 ASN 25 HD21 ASN 25 -6.459 5.737 28.435 197 HD22 ASN 25 HD22 ASN 25 -7.427 5.819 27.007 198 H ASP 26 H ASP 26 -5.061 2.051 27.536 199 HA ASP 26 HA ASP 26 -7.190 0.474 26.249 200 HB2 ASP 26 HB2 ASP 26 -4.837 1.944 25.049 201 HB3 ASP 26 HB3 ASP 26 -5.877 0.854 24.137 202 H PHE 27 H PHE 27 -3.636 0.595 26.525 203 HA PHE 27 HA PHE 27 -3.161 -2.019 25.646 204 HB2 PHE 27 HB2 PHE 27 -1.052 -1.303 25.825 205 HB3 PHE 27 HB3 PHE 27 -1.624 0.142 26.653 206 HD1 PHE 27 HD2 PHE 27 -1.616 0.265 29.088 207 HD2 PHE 27 HD1 PHE 27 -0.084 -3.132 27.032 208 HE1 PHE 27 HE2 PHE 27 -0.480 -0.462 31.145 209 HE2 PHE 27 HE1 PHE 27 1.054 -3.866 29.086 210 HZ PHE 27 HZ PHE 27 0.858 -2.530 31.146 211 H LYS 28 H LYS 28 -3.885 -0.742 28.841 212 HA LYS 28 HA LYS 28 -3.322 -3.084 30.312 213 HB2 LYS 28 HB2 LYS 28 -3.497 -1.139 31.597 214 HB3 LYS 28 HB3 LYS 28 -4.995 -0.645 30.820 215 HG2 LYS 28 HG2 LYS 28 -6.152 -2.517 31.944 216 HG3 LYS 28 HG3 LYS 28 -4.648 -2.900 32.785 217 HD2 LYS 28 HD2 LYS 28 -4.716 -0.954 34.054 218 HD3 LYS 28 HD3 LYS 28 -5.807 -0.142 32.929 219 HE2 LYS 28 HE2 LYS 28 -6.794 -2.600 34.263 220 HE3 LYS 28 HE3 LYS 28 -6.632 -1.150 35.252 221 HZ1 LYS 28 HZ1 LYS 28 -8.118 0.019 33.865 222 HZ2 LYS 28 HZ2 LYS 28 -8.847 -1.477 34.166 223 HZ3 LYS 28 HZ3 LYS 28 -8.098 -1.185 32.677 224 H LYS 29 H LYS 29 -6.325 -1.845 28.885 225 HA LYS 29 HA LYS 29 -8.093 -3.765 29.815 226 HB2 LYS 29 HB2 LYS 29 -8.029 -1.812 27.655 227 HB3 LYS 29 HB3 LYS 29 -8.949 -3.248 27.222 228 HG2 LYS 29 HG2 LYS 29 -10.355 -1.497 28.198 229 HG3 LYS 29 HG3 LYS 29 -10.361 -2.973 29.166 230 HD2 LYS 29 HD2 LYS 29 -9.058 -2.022 30.845 231 HD3 LYS 29 HD3 LYS 29 -8.453 -0.747 29.785 232 HE2 LYS 29 HE2 LYS 29 -11.292 -1.000 30.773 233 HE3 LYS 29 HE3 LYS 29 -10.077 0.090 31.437 234 HZ1 LYS 29 HZ1 LYS 29 -11.050 1.502 29.988 235 HZ2 LYS 29 HZ2 LYS 29 -11.579 0.278 28.948 236 HZ3 LYS 29 HZ3 LYS 29 -9.968 0.794 28.896 237 H LEU 30 H LEU 30 -5.898 -3.890 27.055 238 HA LEU 30 HA LEU 30 -6.855 -6.387 26.068 239 HB2 LEU 30 HB2 LEU 30 -4.067 -5.594 25.508 240 HB3 LEU 30 HB3 LEU 30 -5.331 -6.148 24.411 241 HG LEU 30 HG LEU 30 -5.007 -3.362 25.525 242 HD11 LEU 30 HD11 LEU 30 -3.926 -2.835 23.651 243 HD12 LEU 30 HD12 LEU 30 -5.069 -3.721 22.644 244 HD13 LEU 30 HD13 LEU 30 -3.723 -4.570 23.404 245 HD21 LEU 30 HD21 LEU 30 -7.337 -4.702 24.584 246 HD22 LEU 30 HD22 LEU 30 -6.873 -3.477 23.402 247 HD23 LEU 30 HD23 LEU 30 -7.152 -3.020 25.083 248 H LYS 31 H LYS 31 -3.879 -5.485 27.812 249 HA LYS 31 HA LYS 31 -2.872 -8.058 28.164 250 HB2 LYS 31 HB2 LYS 31 -2.580 -5.633 29.946 251 HB3 LYS 31 HB3 LYS 31 -1.605 -7.090 30.076 252 HG2 LYS 31 HG2 LYS 31 -1.708 -5.208 27.729 253 HG3 LYS 31 HG3 LYS 31 -0.388 -5.383 28.888 254 HD2 LYS 31 HD2 LYS 31 -0.216 -7.788 28.159 255 HD3 LYS 31 HD3 LYS 31 -1.345 -7.396 26.860 256 HE2 LYS 31 HE2 LYS 31 1.311 -6.044 27.325 257 HE3 LYS 31 HE3 LYS 31 1.015 -7.314 26.139 258 HZ1 LYS 31 HZ1 LYS 31 0.944 -4.921 25.335 259 HZ2 LYS 31 HZ2 LYS 31 -0.540 -4.800 26.136 260 HZ3 LYS 31 HZ3 LYS 31 -0.346 -5.919 24.883 261 H PHE 32 H PHE 32 -5.429 -6.394 29.816 262 HA PHE 32 HA PHE 32 -5.503 -7.962 32.167 263 HB2 PHE 32 HB2 PHE 32 -6.649 -5.830 32.080 264 HB3 PHE 32 HB3 PHE 32 -7.678 -6.395 30.768 265 HD1 PHE 32 HD1 PHE 32 -6.710 -8.063 33.949 266 HD2 PHE 32 HD2 PHE 32 -9.834 -6.379 31.599 267 HE1 PHE 32 HE1 PHE 32 -8.365 -8.847 35.593 268 HE2 PHE 32 HE2 PHE 32 -11.493 -7.160 33.239 269 HZ PHE 32 HZ PHE 32 -10.760 -8.395 35.239 270 H TYR 33 H TYR 33 -7.245 -8.209 29.084 271 HA TYR 33 HA TYR 33 -8.355 -10.784 29.913 272 HB2 TYR 33 HB2 TYR 33 -9.662 -8.860 28.718 273 HB3 TYR 33 HB3 TYR 33 -8.907 -9.495 27.261 274 HD1 TYR 33 HD2 TYR 33 -10.576 -10.966 30.274 275 HD2 TYR 33 HD1 TYR 33 -10.291 -10.856 26.030 276 HE1 TYR 33 HE2 TYR 33 -12.334 -12.679 30.117 277 HE2 TYR 33 HE1 TYR 33 -12.049 -12.568 25.861 278 HH TYR 33 HH TYR 33 -12.952 -14.515 28.240 279 H LEU 34 H LEU 34 -6.653 -9.421 27.090 280 HA LEU 34 HA LEU 34 -6.122 -11.777 25.749 281 HB2 LEU 34 HB2 LEU 34 -4.706 -9.152 25.915 282 HB3 LEU 34 HB3 LEU 34 -3.983 -10.481 25.010 283 HG LEU 34 HG LEU 34 -5.265 -8.844 23.628 284 HD11 LEU 34 HD11 LEU 34 -6.862 -11.051 22.946 285 HD12 LEU 34 HD12 LEU 34 -5.360 -11.705 23.598 286 HD13 LEU 34 HD13 LEU 34 -5.315 -10.574 22.245 287 HD21 LEU 34 HD21 LEU 34 -7.627 -10.026 25.085 288 HD22 LEU 34 HD22 LEU 34 -7.712 -8.968 23.677 289 HD23 LEU 34 HD23 LEU 34 -7.059 -8.361 25.199 290 H ARG 35 H ARG 35 -3.884 -10.085 27.957 291 HA ARG 35 HA ARG 35 -1.973 -12.144 28.039 292 HB2 ARG 35 HB2 ARG 35 -2.176 -9.576 29.049 293 HB3 ARG 35 HB3 ARG 35 -2.143 -10.577 30.495 294 HG2 ARG 35 HG2 ARG 35 -0.139 -11.537 28.741 295 HG3 ARG 35 HG3 ARG 35 0.012 -9.781 28.833 296 HD2 ARG 35 HD2 ARG 35 0.058 -11.767 31.094 297 HD3 ARG 35 HD3 ARG 35 1.355 -10.693 30.570 298 HE ARG 35 HE ARG 35 -0.496 -8.922 31.251 299 HH11 ARG 35 HH11 ARG 35 0.552 -11.809 32.891 300 HH12 ARG 35 HH12 ARG 35 0.204 -11.193 34.472 301 HH21 ARG 35 HH21 ARG 35 -0.958 -8.101 33.328 302 HH22 ARG 35 HH22 ARG 35 -0.656 -9.084 34.720 303 H ASP 36 H ASP 36 -4.825 -11.501 29.997 304 HA ASP 36 HA ASP 36 -4.427 -13.213 32.121 305 HB2 ASP 36 HB2 ASP 36 -6.372 -12.059 32.419 306 HB3 ASP 36 HB3 ASP 36 -6.807 -12.143 30.714 307 H MET 37 H MET 37 -5.923 -13.999 28.985 308 HA MET 37 HA MET 37 -5.902 -16.829 29.641 309 HB2 MET 37 HB2 MET 37 -7.309 -15.119 27.769 310 HB3 MET 37 HB3 MET 37 -6.659 -16.543 26.968 311 HG2 MET 37 HG2 MET 37 -7.921 -18.002 28.252 312 HG3 MET 37 HG3 MET 37 -8.201 -16.803 29.514 313 HE1 MET 37 HE1 MET 37 -11.100 -18.053 26.523 314 HE2 MET 37 HE2 MET 37 -9.541 -18.773 26.925 315 HE3 MET 37 HE3 MET 37 -10.774 -18.585 28.173 316 H THR 38 H THR 38 -4.824 -14.991 26.779 317 HA THR 38 HA THR 38 -3.221 -16.862 25.611 318 HB THR 38 HB THR 38 -2.018 -15.102 24.517 319 HG1 THR 38 HG1 THR 38 -2.792 -12.873 25.624 320 HG21 THR 38 HG21 THR 38 -3.822 -13.688 23.718 321 HG22 THR 38 HG22 THR 38 -4.801 -14.099 25.127 322 HG23 THR 38 HG23 THR 38 -4.407 -15.337 23.934 323 H LEU 39 H LEU 39 -2.359 -14.702 28.277 324 HA LEU 39 HA LEU 39 0.133 -16.236 28.620 325 HB2 LEU 39 HB2 LEU 39 -0.519 -13.354 29.073 326 HB3 LEU 39 HB3 LEU 39 0.775 -14.121 29.992 327 HG LEU 39 HG LEU 39 1.717 -14.782 27.678 328 HD11 LEU 39 HD11 LEU 39 -0.158 -14.229 26.302 329 HD12 LEU 39 HD12 LEU 39 1.149 -13.107 25.925 330 HD13 LEU 39 HD13 LEU 39 -0.200 -12.582 26.932 331 HD21 LEU 39 HD21 LEU 39 1.816 -12.220 29.132 332 HD22 LEU 39 HD22 LEU 39 2.460 -12.201 27.490 333 HD23 LEU 39 HD23 LEU 39 3.115 -13.325 28.683 334 H SER 40 H SER 40 0.902 -15.777 31.074 335 HA SER 40 HA SER 40 -1.303 -16.802 32.719 336 HB2 SER 40 HB2 SER 40 1.692 -17.064 32.914 337 HB3 SER 40 HB3 SER 40 0.643 -17.445 34.279 338 HG SER 40 HG SER 40 1.230 -19.209 32.749 339 H GLU 41 H GLU 41 -0.603 -16.297 35.219 340 HA GLU 41 HA GLU 41 -0.801 -13.387 35.383 341 HB2 GLU 41 HB2 GLU 41 -2.158 -15.411 36.674 342 HB3 GLU 41 HB3 GLU 41 -1.002 -14.883 37.889 343 HG2 GLU 41 HG2 GLU 41 -2.266 -13.140 38.366 344 HG3 GLU 41 HG3 GLU 41 -2.155 -12.578 36.699 345 H GLY 42 H GLY 42 0.100 -12.908 37.930 346 HA2 GLY 42 HA2 GLY 42 2.087 -13.280 39.297 347 HA3 GLY 42 HA3 GLY 42 2.947 -13.685 37.819 348 H GLN 43 H GLN 43 1.911 -11.528 36.243 349 HA GLN 43 HA GLN 43 3.820 -9.582 36.651 350 HB2 GLN 43 HB2 GLN 43 1.195 -9.593 35.209 351 HB3 GLN 43 HB3 GLN 43 2.107 -8.095 35.341 352 HG2 GLN 43 HG2 GLN 43 2.396 -9.706 33.288 353 HG3 GLN 43 HG3 GLN 43 3.758 -8.809 33.955 354 HE21 GLN 43 HE21 GLN 43 5.413 -9.890 34.910 355 HE22 GLN 43 HE22 GLN 43 5.537 -11.613 34.952 356 HA PRO 44 HA PRO 44 2.507 -6.930 39.887 357 HB2 PRO 44 HB2 PRO 44 3.082 -4.461 38.915 358 HB3 PRO 44 HB3 PRO 44 4.328 -5.607 39.426 359 HG2 PRO 44 HG2 PRO 44 3.342 -4.985 36.668 360 HG3 PRO 44 HG3 PRO 44 5.005 -5.221 37.235 361 HD2 PRO 44 HD2 PRO 44 3.617 -7.156 35.948 362 HD3 PRO 44 HD3 PRO 44 4.827 -7.518 37.195 363 HA PRO 45 HA PRO 45 -1.515 -5.236 39.346 364 HB2 PRO 45 HB2 PRO 45 -1.475 -2.978 40.853 365 HB3 PRO 45 HB3 PRO 45 -1.477 -4.601 41.554 366 HG2 PRO 45 HG2 PRO 45 0.819 -2.731 41.113 367 HG3 PRO 45 HG3 PRO 45 0.455 -3.744 42.522 368 HD2 PRO 45 HD2 PRO 45 2.288 -4.447 40.657 369 HD3 PRO 45 HD3 PRO 45 1.314 -5.643 41.537 370 H LEU 46 H LEU 46 -2.572 -4.076 37.844 371 HA LEU 46 HA LEU 46 -1.177 -2.444 36.013 372 HB2 LEU 46 HB2 LEU 46 -4.146 -2.699 36.467 373 HB3 LEU 46 HB3 LEU 46 -3.384 -1.974 35.053 374 HG LEU 46 HG LEU 46 -3.918 -4.045 34.239 375 HD11 LEU 46 HD11 LEU 46 -1.333 -4.873 35.500 376 HD12 LEU 46 HD12 LEU 46 -1.381 -3.584 34.298 377 HD13 LEU 46 HD13 LEU 46 -1.941 -5.202 33.877 378 HD21 LEU 46 HD21 LEU 46 -4.292 -5.957 35.446 379 HD22 LEU 46 HD22 LEU 46 -4.610 -4.732 36.675 380 HD23 LEU 46 HD23 LEU 46 -3.060 -5.573 36.648 381 H ALA 47 H ALA 47 -1.156 -0.239 35.698 382 HA ALA 47 HA ALA 47 -2.643 1.536 37.413 383 HB1 ALA 47 HB1 ALA 47 -0.714 2.614 38.436 384 HB2 ALA 47 HB2 ALA 47 -0.797 0.912 38.892 385 HB3 ALA 47 HB3 ALA 47 0.360 1.443 37.671 386 H ARG 48 H ARG 48 -2.361 3.790 36.834 387 HA ARG 48 HA ARG 48 -2.215 4.188 34.052 388 HB2 ARG 48 HB2 ARG 48 -2.613 6.484 34.496 389 HB3 ARG 48 HB3 ARG 48 -3.483 5.590 35.736 390 HG2 ARG 48 HG2 ARG 48 -1.714 6.046 37.336 391 HG3 ARG 48 HG3 ARG 48 -0.795 6.897 36.093 392 HD2 ARG 48 HD2 ARG 48 -2.757 8.450 35.856 393 HD3 ARG 48 HD3 ARG 48 -3.448 7.679 37.282 394 HE ARG 48 HE ARG 48 -0.928 8.448 38.035 395 HH11 ARG 48 HH11 ARG 48 -3.750 10.043 36.767 396 HH12 ARG 48 HH12 ARG 48 -3.417 11.547 37.560 397 HH21 ARG 48 HH21 ARG 48 -0.478 10.423 39.084 398 HH22 ARG 48 HH22 ARG 48 -1.554 11.763 38.877 399 H GLY 49 H GLY 49 0.146 4.565 36.620 400 HA2 GLY 49 HA2 GLY 49 2.061 5.938 34.964 401 HA3 GLY 49 HA3 GLY 49 2.341 5.302 36.578 402 H GLU 50 H GLU 50 1.022 2.806 34.956 403 HA GLU 50 HA GLU 50 3.491 1.404 34.759 404 HB2 GLU 50 HB2 GLU 50 0.940 0.612 35.091 405 HB3 GLU 50 HB3 GLU 50 1.105 0.332 33.363 406 HG2 GLU 50 HG2 GLU 50 2.944 -1.157 33.714 407 HG3 GLU 50 HG3 GLU 50 2.989 -0.769 35.433 408 H LEU 51 H LEU 51 1.259 2.789 32.388 409 HA LEU 51 HA LEU 51 3.045 2.036 30.207 410 HB2 LEU 51 HB2 LEU 51 0.734 1.649 29.783 411 HB3 LEU 51 HB3 LEU 51 0.308 3.285 30.281 412 HG LEU 51 HG LEU 51 2.111 2.944 27.935 413 HD11 LEU 51 HD11 LEU 51 -0.661 3.034 27.142 414 HD12 LEU 51 HD12 LEU 51 -0.303 1.567 28.052 415 HD13 LEU 51 HD13 LEU 51 0.629 1.958 26.608 416 HD21 LEU 51 HD21 LEU 51 1.795 5.150 28.036 417 HD22 LEU 51 HD22 LEU 51 0.435 4.991 29.148 418 HD23 LEU 51 HD23 LEU 51 0.178 4.831 27.410 419 H GLU 52 H GLU 52 1.487 4.990 31.456 420 HA GLU 52 HA GLU 52 3.085 6.723 29.844 421 HB2 GLU 52 HB2 GLU 52 0.842 7.363 30.620 422 HB3 GLU 52 HB3 GLU 52 1.409 7.338 32.284 423 HG2 GLU 52 HG2 GLU 52 1.241 9.605 31.299 424 HG3 GLU 52 HG3 GLU 52 2.847 9.198 31.903 425 H GLY 53 H GLY 53 3.010 6.082 33.355 426 HA2 GLY 53 HA2 GLY 53 5.189 7.639 34.085 427 HA3 GLY 53 HA3 GLY 53 4.666 6.196 34.941 428 H LEU 54 H LEU 54 5.248 4.120 33.493 429 HA LEU 54 HA LEU 54 8.125 4.100 33.434 430 HB2 LEU 54 HB2 LEU 54 6.268 1.887 32.596 431 HB3 LEU 54 HB3 LEU 54 7.947 1.748 33.112 432 HG LEU 54 HG LEU 54 5.593 2.468 34.857 433 HD11 LEU 54 HD11 LEU 54 6.613 0.265 35.951 434 HD12 LEU 54 HD12 LEU 54 7.056 -0.037 34.271 435 HD13 LEU 54 HD13 LEU 54 5.366 0.218 34.704 436 HD21 LEU 54 HD21 LEU 54 7.655 1.898 36.529 437 HD22 LEU 54 HD22 LEU 54 7.161 3.526 36.066 438 HD23 LEU 54 HD23 LEU 54 8.492 2.734 35.222 439 H ILE 55 H ILE 55 8.722 2.320 31.425 440 HA ILE 55 HA ILE 55 8.001 3.795 28.978 441 HB ILE 55 HB ILE 55 10.274 3.299 28.118 442 HG12 ILE 55 HG12 ILE 55 10.527 1.405 29.915 443 HG13 ILE 55 HG13 ILE 55 11.941 2.311 29.387 444 HG21 ILE 55 HG21 ILE 55 11.459 4.939 29.661 445 HG22 ILE 55 HG22 ILE 55 9.959 5.486 28.913 446 HG23 ILE 55 HG23 ILE 55 9.965 4.964 30.598 447 HD11 ILE 55 HD11 ILE 55 10.471 3.365 31.724 448 HD12 ILE 55 HD12 ILE 55 11.383 1.871 31.944 449 HD13 ILE 55 HD13 ILE 55 12.202 3.330 31.387 450 HA PRO 56 HA PRO 56 6.937 -0.014 27.076 451 HB2 PRO 56 HB2 PRO 56 7.819 0.349 24.534 452 HB3 PRO 56 HB3 PRO 56 6.410 1.190 25.191 453 HG2 PRO 56 HG2 PRO 56 9.220 2.169 24.870 454 HG3 PRO 56 HG3 PRO 56 7.697 3.011 24.531 455 HD2 PRO 56 HD2 PRO 56 9.126 3.440 26.790 456 HD3 PRO 56 HD3 PRO 56 7.355 3.548 26.746 457 H VAL 57 H VAL 57 10.263 1.060 26.484 458 HA VAL 57 HA VAL 57 11.270 -1.438 25.631 459 HB VAL 57 HB VAL 57 12.764 0.831 26.953 460 HG11 VAL 57 HG11 VAL 57 14.626 -0.233 25.456 461 HG12 VAL 57 HG12 VAL 57 14.267 -0.910 27.046 462 HG13 VAL 57 HG13 VAL 57 13.627 -1.680 25.593 463 HG21 VAL 57 HG21 VAL 57 12.167 1.943 25.101 464 HG22 VAL 57 HG22 VAL 57 13.352 0.922 24.286 465 HG23 VAL 57 HG23 VAL 57 11.646 0.476 24.273 466 H ASP 58 H ASP 58 10.423 -0.230 28.722 467 HA ASP 58 HA ASP 58 12.061 -2.194 30.131 468 HB2 ASP 58 HB2 ASP 58 11.839 0.156 30.982 469 HB3 ASP 58 HB3 ASP 58 10.137 -0.172 31.294 470 H LEU 59 H LEU 59 8.627 -1.216 30.154 471 HA LEU 59 HA LEU 59 7.654 -3.438 31.518 472 HB2 LEU 59 HB2 LEU 59 5.779 -2.277 31.348 473 HB3 LEU 59 HB3 LEU 59 6.591 -1.168 30.245 474 HG LEU 59 HG LEU 59 5.311 -3.683 29.230 475 HD11 LEU 59 HD11 LEU 59 3.595 -2.545 30.525 476 HD12 LEU 59 HD12 LEU 59 3.273 -2.402 28.797 477 HD13 LEU 59 HD13 LEU 59 3.944 -1.034 29.685 478 HD21 LEU 59 HD21 LEU 59 6.839 -1.714 28.050 479 HD22 LEU 59 HD22 LEU 59 5.186 -1.247 27.647 480 HD23 LEU 59 HD23 LEU 59 5.780 -2.851 27.215 481 H ALA 60 H ALA 60 8.290 -2.966 28.090 482 HA ALA 60 HA ALA 60 7.021 -5.291 27.134 483 HB1 ALA 60 HB1 ALA 60 7.701 -3.447 25.678 484 HB2 ALA 60 HB2 ALA 60 9.396 -3.837 25.974 485 HB3 ALA 60 HB3 ALA 60 8.362 -4.986 25.124 486 H GLU 61 H GLU 61 10.314 -4.696 28.285 487 HA GLU 61 HA GLU 61 11.467 -7.134 27.598 488 HB2 GLU 61 HB2 GLU 61 12.061 -4.949 29.455 489 HB3 GLU 61 HB3 GLU 61 12.669 -6.508 29.996 490 HG2 GLU 61 HG2 GLU 61 13.188 -5.845 27.177 491 HG3 GLU 61 HG3 GLU 61 14.016 -4.847 28.371 492 H LEU 62 H LEU 62 9.407 -6.272 30.302 493 HA LEU 62 HA LEU 62 9.812 -8.710 31.741 494 HB2 LEU 62 HB2 LEU 62 9.129 -6.744 32.931 495 HB3 LEU 62 HB3 LEU 62 7.694 -6.576 31.922 496 HG LEU 62 HG LEU 62 7.848 -9.112 33.387 497 HD11 LEU 62 HD11 LEU 62 7.871 -6.481 34.814 498 HD12 LEU 62 HD12 LEU 62 8.751 -7.963 35.189 499 HD13 LEU 62 HD13 LEU 62 7.015 -7.870 35.485 500 HD21 LEU 62 HD21 LEU 62 5.644 -8.995 33.104 501 HD22 LEU 62 HD22 LEU 62 5.929 -7.556 32.124 502 HD23 LEU 62 HD23 LEU 62 5.563 -7.396 33.843 503 H LEU 63 H LEU 63 7.281 -7.479 29.583 504 HA LEU 63 HA LEU 63 5.571 -9.709 29.779 505 HB2 LEU 63 HB2 LEU 63 5.246 -7.317 28.740 506 HB3 LEU 63 HB3 LEU 63 5.758 -8.126 27.260 507 HG LEU 63 HG LEU 63 3.344 -8.014 27.364 508 HD11 LEU 63 HD11 LEU 63 4.524 -10.032 26.424 509 HD12 LEU 63 HD12 LEU 63 2.847 -10.281 26.906 510 HD13 LEU 63 HD13 LEU 63 4.155 -10.853 27.940 511 HD21 LEU 63 HD21 LEU 63 3.184 -9.843 29.690 512 HD22 LEU 63 HD22 LEU 63 2.061 -8.596 29.145 513 HD23 LEU 63 HD23 LEU 63 3.527 -8.145 30.017 514 H ILE 64 H ILE 64 8.001 -8.854 27.320 515 HA ILE 64 HA ILE 64 7.710 -11.140 25.735 516 HB ILE 64 HB ILE 64 9.912 -10.637 24.826 517 HG12 ILE 64 HG12 ILE 64 10.894 -8.402 25.963 518 HG13 ILE 64 HG13 ILE 64 10.172 -9.151 27.382 519 HG21 ILE 64 HG21 ILE 64 7.705 -9.017 24.734 520 HG22 ILE 64 HG22 ILE 64 8.994 -7.886 25.143 521 HG23 ILE 64 HG23 ILE 64 9.120 -8.880 23.692 522 HD11 ILE 64 HD11 ILE 64 11.863 -10.563 27.562 523 HD12 ILE 64 HD12 ILE 64 11.683 -11.080 25.885 524 HD13 ILE 64 HD13 ILE 64 12.671 -9.672 26.273 525 H SER 65 H SER 65 9.568 -10.570 28.655 526 HA SER 65 HA SER 65 11.012 -13.051 28.489 527 HB2 SER 65 HB2 SER 65 11.987 -11.115 29.640 528 HB3 SER 65 HB3 SER 65 10.666 -11.134 30.808 529 HG SER 65 HG SER 65 12.173 -13.464 30.442 530 H LYS 66 H LYS 66 7.998 -11.974 29.811 531 HA LYS 66 HA LYS 66 7.557 -13.935 31.758 532 HB2 LYS 66 HB2 LYS 66 6.041 -12.160 31.790 533 HB3 LYS 66 HB3 LYS 66 5.748 -12.250 30.058 534 HG2 LYS 66 HG2 LYS 66 3.840 -13.006 31.442 535 HG3 LYS 66 HG3 LYS 66 4.431 -14.231 30.317 536 HD2 LYS 66 HD2 LYS 66 3.941 -15.162 32.544 537 HD3 LYS 66 HD3 LYS 66 5.643 -15.332 32.107 538 HE2 LYS 66 HE2 LYS 66 5.215 -12.834 33.456 539 HE3 LYS 66 HE3 LYS 66 4.561 -14.157 34.420 540 HZ1 LYS 66 HZ1 LYS 66 7.286 -13.464 33.898 541 HZ2 LYS 66 HZ2 LYS 66 6.971 -15.091 33.559 542 HZ3 LYS 66 HZ3 LYS 66 6.641 -14.468 35.097 543 H TYR 67 H TYR 67 6.160 -13.873 28.473 544 HA TYR 67 HA TYR 67 6.116 -16.818 28.549 545 HB2 TYR 67 HB2 TYR 67 4.034 -15.023 28.067 546 HB3 TYR 67 HB3 TYR 67 4.465 -15.635 26.474 547 HD1 TYR 67 HD1 TYR 67 4.984 -18.345 26.625 548 HD2 TYR 67 HD2 TYR 67 2.280 -16.132 29.053 549 HE1 TYR 67 HE1 TYR 67 3.706 -20.400 27.066 550 HE2 TYR 67 HE2 TYR 67 0.996 -18.181 29.501 551 HH TYR 67 HH TYR 67 0.732 -20.536 28.068 552 H GLY 68 H GLY 68 6.807 -13.995 26.539 553 HA2 GLY 68 HA2 GLY 68 9.048 -14.856 25.293 554 HA3 GLY 68 HA3 GLY 68 7.774 -15.602 24.341 555 H GLU 69 H GLU 69 9.742 -13.566 23.576 556 HA GLU 69 HA GLU 69 8.496 -11.033 23.386 557 HB2 GLU 69 HB2 GLU 69 10.222 -10.535 21.703 558 HB3 GLU 69 HB3 GLU 69 10.904 -11.279 23.143 559 HG2 GLU 69 HG2 GLU 69 11.835 -12.853 21.909 560 HG3 GLU 69 HG3 GLU 69 10.251 -13.344 21.311 561 H LYS 70 H LYS 70 8.245 -13.949 21.532 562 HA LYS 70 HA LYS 70 7.246 -12.880 19.124 563 HB2 LYS 70 HB2 LYS 70 7.504 -15.506 20.357 564 HB3 LYS 70 HB3 LYS 70 6.030 -15.362 19.408 565 HG2 LYS 70 HG2 LYS 70 7.803 -16.249 18.042 566 HG3 LYS 70 HG3 LYS 70 7.369 -14.634 17.478 567 HD2 LYS 70 HD2 LYS 70 9.416 -14.394 19.448 568 HD3 LYS 70 HD3 LYS 70 9.915 -15.598 18.258 569 HE2 LYS 70 HE2 LYS 70 8.724 -13.080 17.241 570 HE3 LYS 70 HE3 LYS 70 10.344 -12.988 17.931 571 HZ1 LYS 70 HZ1 LYS 70 10.461 -15.169 16.320 572 HZ2 LYS 70 HZ2 LYS 70 11.030 -13.625 15.926 573 HZ3 LYS 70 HZ3 LYS 70 9.485 -14.108 15.435 574 H GLU 71 H GLU 71 5.238 -14.864 21.264 575 HA GLU 71 HA GLU 71 2.800 -13.888 20.448 576 HB2 GLU 71 HB2 GLU 71 3.007 -15.876 21.833 577 HB3 GLU 71 HB3 GLU 71 3.576 -14.907 23.185 578 HG2 GLU 71 HG2 GLU 71 1.502 -14.131 23.691 579 HG3 GLU 71 HG3 GLU 71 0.936 -14.228 22.024 580 H ALA 72 H ALA 72 5.087 -12.455 22.634 581 HA ALA 72 HA ALA 72 3.568 -10.713 24.115 582 HB1 ALA 72 HB1 ALA 72 5.656 -10.312 24.778 583 HB2 ALA 72 HB2 ALA 72 6.330 -10.847 23.237 584 HB3 ALA 72 HB3 ALA 72 5.767 -9.186 23.425 585 H VAL 73 H VAL 73 5.153 -9.810 21.044 586 HA VAL 73 HA VAL 73 3.810 -7.385 20.711 587 HB VAL 73 HB VAL 73 5.086 -9.231 18.701 588 HG11 VAL 73 HG11 VAL 73 3.506 -6.759 18.277 589 HG12 VAL 73 HG12 VAL 73 4.992 -6.945 17.343 590 HG13 VAL 73 HG13 VAL 73 3.720 -8.162 17.231 591 HG21 VAL 73 HG21 VAL 73 5.988 -7.095 20.453 592 HG22 VAL 73 HG22 VAL 73 6.921 -8.313 19.584 593 HG23 VAL 73 HG23 VAL 73 6.438 -6.826 18.769 594 H LYS 74 H LYS 74 2.898 -10.654 19.836 595 HA LYS 74 HA LYS 74 0.738 -9.982 18.131 596 HB2 LYS 74 HB2 LYS 74 1.571 -12.184 17.949 597 HB3 LYS 74 HB3 LYS 74 1.460 -12.458 19.683 598 HG2 LYS 74 HG2 LYS 74 -1.060 -11.885 18.237 599 HG3 LYS 74 HG3 LYS 74 -0.297 -13.453 17.962 600 HD2 LYS 74 HD2 LYS 74 -0.222 -12.965 20.745 601 HD3 LYS 74 HD3 LYS 74 -1.853 -12.577 20.193 602 HE2 LYS 74 HE2 LYS 74 -2.006 -14.770 19.117 603 HE3 LYS 74 HE3 LYS 74 -0.375 -15.155 19.667 604 HZ1 LYS 74 HZ1 LYS 74 -1.840 -14.351 21.894 605 HZ2 LYS 74 HZ2 LYS 74 -1.248 -15.896 21.544 606 HZ3 LYS 74 HZ3 LYS 74 -2.804 -15.455 21.049 607 H VAL 75 H VAL 75 0.979 -10.598 21.600 608 HA VAL 75 HA VAL 75 -1.768 -10.612 22.183 609 HB VAL 75 HB VAL 75 0.399 -11.100 23.669 610 HG11 VAL 75 HG11 VAL 75 0.739 -8.508 23.642 611 HG12 VAL 75 HG12 VAL 75 -0.477 -8.537 24.921 612 HG13 VAL 75 HG13 VAL 75 1.033 -9.429 25.117 613 HG21 VAL 75 HG21 VAL 75 -1.083 -11.686 25.266 614 HG22 VAL 75 HG22 VAL 75 -1.854 -10.099 25.284 615 HG23 VAL 75 HG23 VAL 75 -2.269 -11.267 24.029 616 H VAL 76 H VAL 76 0.370 -8.047 21.371 617 HA VAL 76 HA VAL 76 -1.194 -5.950 22.579 618 HB VAL 76 HB VAL 76 1.278 -6.094 20.958 619 HG11 VAL 76 HG11 VAL 76 -0.590 -3.739 20.879 620 HG12 VAL 76 HG12 VAL 76 1.142 -3.593 20.574 621 HG13 VAL 76 HG13 VAL 76 0.143 -4.600 19.526 622 HG21 VAL 76 HG21 VAL 76 1.912 -4.295 22.613 623 HG22 VAL 76 HG22 VAL 76 0.343 -4.559 23.373 624 HG23 VAL 76 HG23 VAL 76 1.521 -5.869 23.305 625 H LEU 77 H LEU 77 -0.559 -7.012 19.237 626 HA LEU 77 HA LEU 77 -2.412 -5.216 18.061 627 HB2 LEU 77 HB2 LEU 77 -2.155 -6.629 16.050 628 HB3 LEU 77 HB3 LEU 77 -0.623 -6.106 16.746 629 HG LEU 77 HG LEU 77 -0.914 -8.533 17.920 630 HD11 LEU 77 HD11 LEU 77 -2.867 -8.530 15.921 631 HD12 LEU 77 HD12 LEU 77 -2.264 -9.914 16.830 632 HD13 LEU 77 HD13 LEU 77 -1.533 -9.491 15.282 633 HD21 LEU 77 HD21 LEU 77 0.427 -9.185 15.641 634 HD22 LEU 77 HD22 LEU 77 1.135 -8.357 17.028 635 HD23 LEU 77 HD23 LEU 77 0.560 -7.426 15.643 636 H LYS 78 H LYS 78 -2.589 -8.684 18.826 637 HA LYS 78 HA LYS 78 -5.122 -9.228 17.860 638 HB2 LYS 78 HB2 LYS 78 -3.276 -10.708 19.094 639 HB3 LYS 78 HB3 LYS 78 -4.347 -10.445 20.464 640 HG2 LYS 78 HG2 LYS 78 -5.874 -11.202 18.157 641 HG3 LYS 78 HG3 LYS 78 -4.582 -12.370 18.447 642 HD2 LYS 78 HD2 LYS 78 -6.317 -13.196 19.747 643 HD3 LYS 78 HD3 LYS 78 -5.372 -12.265 20.912 644 HE2 LYS 78 HE2 LYS 78 -7.784 -11.857 21.137 645 HE3 LYS 78 HE3 LYS 78 -6.901 -10.395 20.698 646 HZ1 LYS 78 HZ1 LYS 78 -9.091 -11.061 19.469 647 HZ2 LYS 78 HZ2 LYS 78 -8.050 -12.031 18.555 648 HZ3 LYS 78 HZ3 LYS 78 -7.807 -10.358 18.620 649 H GLY 79 H GLY 79 -4.176 -7.805 20.955 650 HA2 GLY 79 HA2 GLY 79 -6.941 -7.651 21.840 651 HA3 GLY 79 HA3 GLY 79 -5.526 -7.118 22.736 652 H LEU 80 H LEU 80 -4.652 -5.640 20.221 653 HA LEU 80 HA LEU 80 -5.828 -3.136 20.931 654 HB2 LEU 80 HB2 LEU 80 -3.750 -4.085 19.051 655 HB3 LEU 80 HB3 LEU 80 -4.532 -2.555 18.660 656 HG LEU 80 HG LEU 80 -3.001 -3.195 21.179 657 HD11 LEU 80 HD11 LEU 80 -1.855 -2.718 18.871 658 HD12 LEU 80 HD12 LEU 80 -1.259 -1.961 20.347 659 HD13 LEU 80 HD13 LEU 80 -2.286 -1.048 19.242 660 HD21 LEU 80 HD21 LEU 80 -4.953 -1.129 20.560 661 HD22 LEU 80 HD22 LEU 80 -3.395 -0.472 21.063 662 HD23 LEU 80 HD23 LEU 80 -4.256 -1.602 22.109 663 H LYS 81 H LYS 81 -6.372 -5.512 18.442 664 HA LYS 81 HA LYS 81 -7.720 -4.052 16.523 665 HB2 LYS 81 HB2 LYS 81 -7.874 -6.880 17.463 666 HB3 LYS 81 HB3 LYS 81 -9.111 -6.302 16.354 667 HG2 LYS 81 HG2 LYS 81 -6.250 -5.824 15.687 668 HG3 LYS 81 HG3 LYS 81 -6.925 -7.440 15.470 669 HD2 LYS 81 HD2 LYS 81 -7.618 -6.714 13.472 670 HD3 LYS 81 HD3 LYS 81 -8.845 -5.807 14.359 671 HE2 LYS 81 HE2 LYS 81 -7.338 -3.880 14.461 672 HE3 LYS 81 HE3 LYS 81 -6.116 -4.788 13.572 673 HZ1 LYS 81 HZ1 LYS 81 -7.197 -4.517 11.631 674 HZ2 LYS 81 HZ2 LYS 81 -7.859 -3.167 12.406 675 HZ3 LYS 81 HZ3 LYS 81 -8.737 -4.611 12.327 676 H VAL 82 H VAL 82 -9.206 -5.797 19.260 677 HA VAL 82 HA VAL 82 -11.806 -4.832 18.866 678 HB VAL 82 HB VAL 82 -10.723 -5.479 21.593 679 HG11 VAL 82 HG11 VAL 82 -13.267 -6.615 20.754 680 HG12 VAL 82 HG12 VAL 82 -12.867 -5.669 22.190 681 HG13 VAL 82 HG13 VAL 82 -13.243 -4.854 20.671 682 HG21 VAL 82 HG21 VAL 82 -9.819 -7.255 20.372 683 HG22 VAL 82 HG22 VAL 82 -11.354 -7.887 20.969 684 HG23 VAL 82 HG23 VAL 82 -11.214 -7.347 19.296 685 H MET 83 H MET 83 -9.092 -3.110 19.683 686 HA MET 83 HA MET 83 -10.604 -1.110 21.219 687 HB2 MET 83 HB2 MET 83 -7.684 -1.766 21.023 688 HB3 MET 83 HB3 MET 83 -8.193 -0.163 21.538 689 HG2 MET 83 HG2 MET 83 -8.926 -2.768 22.856 690 HG3 MET 83 HG3 MET 83 -7.749 -1.595 23.442 691 HE1 MET 83 HE1 MET 83 -9.052 0.484 25.521 692 HE2 MET 83 HE2 MET 83 -8.069 0.536 24.058 693 HE3 MET 83 HE3 MET 83 -9.566 1.465 24.148 694 H ASN 84 H ASN 84 -9.871 -1.774 18.124 695 HA ASN 84 HA ASN 84 -9.781 -0.577 16.192 696 HB2 ASN 84 HB2 ASN 84 -11.100 1.346 18.077 697 HB3 ASN 84 HB3 ASN 84 -10.673 1.873 16.452 698 HD21 ASN 84 HD21 ASN 84 -11.344 0.192 14.729 699 HD22 ASN 84 HD22 ASN 84 -12.963 -0.395 14.872 700 H LEU 85 H LEU 85 -7.368 -0.816 17.411 701 HA LEU 85 HA LEU 85 -6.136 1.847 17.260 702 HB2 LEU 85 HB2 LEU 85 -5.639 -0.546 18.840 703 HB3 LEU 85 HB3 LEU 85 -4.178 0.086 18.084 704 HG LEU 85 HG LEU 85 -4.219 1.067 20.203 705 HD11 LEU 85 HD11 LEU 85 -5.628 3.227 18.699 706 HD12 LEU 85 HD12 LEU 85 -4.071 2.628 18.129 707 HD13 LEU 85 HD13 LEU 85 -4.210 3.324 19.743 708 HD21 LEU 85 HD21 LEU 85 -6.817 2.342 20.212 709 HD22 LEU 85 HD22 LEU 85 -6.051 1.332 21.438 710 HD23 LEU 85 HD23 LEU 85 -6.948 0.586 20.115 711 H LEU 86 H LEU 86 -6.966 0.232 14.942 712 HA LEU 86 HA LEU 86 -4.872 -1.083 13.683 713 HB2 LEU 86 HB2 LEU 86 -6.024 -0.679 11.613 714 HB3 LEU 86 HB3 LEU 86 -7.196 -1.042 12.879 715 HG LEU 86 HG LEU 86 -6.686 1.822 12.431 716 HD11 LEU 86 HD11 LEU 86 -7.877 2.003 10.391 717 HD12 LEU 86 HD12 LEU 86 -8.261 0.282 10.382 718 HD13 LEU 86 HD13 LEU 86 -6.600 0.815 10.127 719 HD21 LEU 86 HD21 LEU 86 -8.833 0.018 13.274 720 HD22 LEU 86 HD22 LEU 86 -9.367 1.362 12.264 721 HD23 LEU 86 HD23 LEU 86 -8.485 1.678 13.759 722 H GLU 87 H GLU 87 -5.250 2.255 14.368 723 HA GLU 87 HA GLU 87 -3.830 3.498 12.347 724 HB2 GLU 87 HB2 GLU 87 -4.938 4.809 14.023 725 HB3 GLU 87 HB3 GLU 87 -3.946 4.116 15.299 726 HG2 GLU 87 HG2 GLU 87 -2.100 5.368 14.732 727 HG3 GLU 87 HG3 GLU 87 -2.649 5.622 13.077 728 H LEU 88 H LEU 88 -2.263 3.201 15.494 729 HA LEU 88 HA LEU 88 0.331 3.129 14.403 730 HB2 LEU 88 HB2 LEU 88 1.101 2.998 16.571 731 HB3 LEU 88 HB3 LEU 88 -0.474 3.762 16.773 732 HG LEU 88 HG LEU 88 -0.172 2.157 18.522 733 HD11 LEU 88 HD11 LEU 88 -1.947 0.475 16.947 734 HD12 LEU 88 HD12 LEU 88 -2.326 2.192 16.814 735 HD13 LEU 88 HD13 LEU 88 -2.272 1.422 18.399 736 HD21 LEU 88 HD21 LEU 88 -0.100 -0.244 16.871 737 HD22 LEU 88 HD22 LEU 88 0.846 0.182 18.298 738 HD23 LEU 88 HD23 LEU 88 1.341 0.759 16.706 739 H VAL 89 H VAL 89 -1.980 0.638 15.094 740 HA VAL 89 HA VAL 89 -0.220 -1.569 15.221 741 HB VAL 89 HB VAL 89 -3.144 -1.317 14.575 742 HG11 VAL 89 HG11 VAL 89 -1.395 -3.741 14.359 743 HG12 VAL 89 HG12 VAL 89 -3.104 -3.885 14.774 744 HG13 VAL 89 HG13 VAL 89 -2.626 -3.154 13.241 745 HG21 VAL 89 HG21 VAL 89 -2.414 -3.072 16.737 746 HG22 VAL 89 HG22 VAL 89 -1.668 -1.487 16.945 747 HG23 VAL 89 HG23 VAL 89 -3.417 -1.622 16.762 748 H ASP 90 H ASP 90 -1.610 0.216 12.568 749 HA ASP 90 HA ASP 90 -1.525 -1.438 10.434 750 HB2 ASP 90 HB2 ASP 90 -1.920 1.120 10.539 751 HB3 ASP 90 HB3 ASP 90 -0.190 1.248 10.229 752 H GLN 91 H GLN 91 1.320 0.292 11.705 753 HA GLN 91 HA GLN 91 3.116 -1.141 9.979 754 HB2 GLN 91 HB2 GLN 91 3.231 1.220 11.478 755 HB3 GLN 91 HB3 GLN 91 4.408 0.148 12.225 756 HG2 GLN 91 HG2 GLN 91 5.423 1.543 10.510 757 HG3 GLN 91 HG3 GLN 91 5.514 -0.167 10.091 758 HE21 GLN 91 HE21 GLN 91 5.732 0.212 7.908 759 HE22 GLN 91 HE22 GLN 91 4.439 0.802 6.927 760 H LEU 92 H LEU 92 2.838 -0.958 13.534 761 HA LEU 92 HA LEU 92 4.539 -2.799 14.414 762 HB2 LEU 92 HB2 LEU 92 3.094 -1.778 15.974 763 HB3 LEU 92 HB3 LEU 92 1.660 -2.447 15.197 764 HG LEU 92 HG LEU 92 2.447 -3.423 17.456 765 HD11 LEU 92 HD11 LEU 92 1.064 -5.100 16.972 766 HD12 LEU 92 HD12 LEU 92 2.120 -5.714 15.701 767 HD13 LEU 92 HD13 LEU 92 0.978 -4.418 15.347 768 HD21 LEU 92 HD21 LEU 92 4.810 -3.736 16.208 769 HD22 LEU 92 HD22 LEU 92 4.089 -5.317 15.903 770 HD23 LEU 92 HD23 LEU 92 4.278 -4.737 17.559 771 H SER 93 H SER 93 1.330 -3.682 13.140 772 HA SER 93 HA SER 93 1.691 -6.463 13.306 773 HB2 SER 93 HB2 SER 93 -0.335 -4.699 12.433 774 HB3 SER 93 HB3 SER 93 -0.006 -5.783 11.082 775 HG SER 93 HG SER 93 -1.224 -6.293 13.466 776 H HIS 94 H HIS 94 2.166 -4.218 10.593 777 HA HIS 94 HA HIS 94 3.060 -6.225 8.784 778 HB2 HIS 94 HB2 HIS 94 2.636 -3.351 8.748 779 HB3 HIS 94 HB3 HIS 94 4.110 -3.799 7.894 780 HD1 HIS 94 HD1 HIS 94 1.013 -2.920 6.917 781 HD2 HIS 94 HD2 HIS 94 3.106 -6.465 6.352 782 HE1 HIS 94 HE1 HIS 94 -0.039 -4.009 4.909 783 H ILE 95 H ILE 95 4.473 -5.079 11.511 784 HA ILE 95 HA ILE 95 7.207 -5.245 10.449 785 HB ILE 95 HB ILE 95 6.206 -4.217 13.106 786 HG12 ILE 95 HG12 ILE 95 7.667 -2.655 10.990 787 HG13 ILE 95 HG13 ILE 95 5.920 -2.858 10.920 788 HG21 ILE 95 HG21 ILE 95 8.871 -3.453 12.704 789 HG22 ILE 95 HG22 ILE 95 8.246 -4.585 13.901 790 HG23 ILE 95 HG23 ILE 95 8.799 -5.176 12.334 791 HD11 ILE 95 HD11 ILE 95 7.573 -1.359 12.895 792 HD12 ILE 95 HD12 ILE 95 6.141 -0.844 12.002 793 HD13 ILE 95 HD13 ILE 95 5.982 -1.967 13.353 794 H CYS 96 H CYS 96 5.014 -6.653 12.816 795 HA CYS 96 HA CYS 96 7.041 -8.655 13.514 796 HB2 CYS 96 HB2 CYS 96 5.715 -7.341 15.283 797 HB3 CYS 96 HB3 CYS 96 4.349 -8.352 14.828 798 HG CYS 96 HG CYS 96 7.073 -9.121 16.635 799 H LEU 97 H LEU 97 5.494 -8.568 10.976 800 HA LEU 97 HA LEU 97 4.619 -10.097 9.533 801 HB2 LEU 97 HB2 LEU 97 6.119 -11.612 11.102 802 HB3 LEU 97 HB3 LEU 97 4.547 -12.232 11.601 803 HG LEU 97 HG LEU 97 4.077 -12.805 9.232 804 HD11 LEU 97 HD11 LEU 97 5.548 -11.196 8.157 805 HD12 LEU 97 HD12 LEU 97 5.938 -12.837 7.642 806 HD13 LEU 97 HD13 LEU 97 6.959 -12.018 8.824 807 HD21 LEU 97 HD21 LEU 97 6.285 -13.991 10.823 808 HD22 LEU 97 HD22 LEU 97 6.059 -14.564 9.170 809 HD23 LEU 97 HD23 LEU 97 4.738 -14.685 10.334 810 H HIS 98 H HIS 98 2.626 -9.081 9.419 811 HA HIS 98 HA HIS 98 0.564 -9.416 11.333 812 HB2 HIS 98 HB2 HIS 98 0.509 -7.506 9.873 813 HB3 HIS 98 HB3 HIS 98 0.495 -8.534 8.444 814 HD1 HIS 98 HD1 HIS 98 -1.731 -8.209 7.414 815 HD2 HIS 98 HD2 HIS 98 -1.979 -8.635 11.539 816 HE1 HIS 98 HE1 HIS 98 -4.190 -8.233 7.941 817 H ASP 99 H ASP 99 1.572 -11.238 8.541 818 HA ASP 99 HA ASP 99 -0.738 -12.707 8.019 819 HB2 ASP 99 HB2 ASP 99 1.365 -12.683 6.638 820 HB3 ASP 99 HB3 ASP 99 2.090 -13.758 7.830 821 H TYR 100 H TYR 100 1.426 -12.850 10.685 822 HA TYR 100 HA TYR 100 0.876 -15.531 11.487 823 HB2 TYR 100 HB2 TYR 100 2.647 -13.518 12.276 824 HB3 TYR 100 HB3 TYR 100 1.616 -13.781 13.678 825 HD1 TYR 100 HD1 TYR 100 1.111 -16.550 13.841 826 HD2 TYR 100 HD2 TYR 100 4.654 -14.621 12.489 827 HE1 TYR 100 HE1 TYR 100 2.417 -18.549 14.430 828 HE2 TYR 100 HE2 TYR 100 5.970 -16.615 13.074 829 HH TYR 100 HH TYR 100 5.715 -18.935 13.479 830 H ARG 101 H ARG 101 -0.711 -12.482 11.909 831 HA ARG 101 HA ARG 101 -2.896 -13.821 13.294 832 HB2 ARG 101 HB2 ARG 101 -1.239 -11.617 14.443 833 HB3 ARG 101 HB3 ARG 101 -2.963 -11.646 14.790 834 HG2 ARG 101 HG2 ARG 101 -1.750 -14.242 15.183 835 HG3 ARG 101 HG3 ARG 101 -0.970 -12.993 16.156 836 HD2 ARG 101 HD2 ARG 101 -2.680 -12.984 17.573 837 HD3 ARG 101 HD3 ARG 101 -3.800 -12.629 16.258 838 HE ARG 101 HE ARG 101 -3.313 -15.191 17.487 839 HH11 ARG 101 HH11 ARG 101 -4.522 -13.515 14.685 840 HH12 ARG 101 HH12 ARG 101 -5.532 -14.827 14.175 841 HH21 ARG 101 HH21 ARG 101 -4.639 -16.925 16.825 842 HH22 ARG 101 HH22 ARG 101 -5.598 -16.766 15.393 843 H GLU 102 H GLU 102 -4.540 -13.449 11.957 844 HA GLU 102 HA GLU 102 -4.716 -10.887 10.558 845 HB2 GLU 102 HB2 GLU 102 -5.765 -13.617 10.094 846 HB3 GLU 102 HB3 GLU 102 -6.805 -12.292 9.591 847 HG2 GLU 102 HG2 GLU 102 -4.481 -11.469 8.535 848 HG3 GLU 102 HG3 GLU 102 -4.238 -13.214 8.483 Start of MODEL 7 1 H1 GLY 1 H GLY 1 14.073 2.339 2.120 2 HA2 GLY 1 HA2 GLY 1 14.925 3.346 -0.501 3 HA3 GLY 1 HA3 GLY 1 13.440 3.981 0.193 4 H ALA 2 H ALA 2 13.567 5.666 1.545 5 HA ALA 2 HA ALA 2 16.236 6.658 2.213 6 HB1 ALA 2 HB1 ALA 2 14.304 8.520 3.034 7 HB2 ALA 2 HB2 ALA 2 15.354 8.605 1.619 8 HB3 ALA 2 HB3 ALA 2 13.750 7.884 1.485 9 H MET 3 H MET 3 16.506 7.716 4.365 10 HA MET 3 HA MET 3 14.980 6.337 6.469 11 HB2 MET 3 HB2 MET 3 17.974 6.696 6.308 12 HB3 MET 3 HB3 MET 3 17.129 6.200 7.768 13 HG2 MET 3 HG2 MET 3 17.606 4.142 7.018 14 HG3 MET 3 HG3 MET 3 16.158 4.389 6.046 15 HE1 MET 3 HE1 MET 3 20.505 4.352 4.911 16 HE2 MET 3 HE2 MET 3 19.712 4.100 6.465 17 HE3 MET 3 HE3 MET 3 19.712 2.815 5.256 18 H ALA 4 H ALA 4 14.842 7.440 8.481 19 HA ALA 4 HA ALA 4 14.523 9.266 9.802 20 HB1 ALA 4 HB1 ALA 4 16.326 10.617 10.154 21 HB2 ALA 4 HB2 ALA 4 17.110 9.309 9.268 22 HB3 ALA 4 HB3 ALA 4 16.669 10.798 8.433 23 H MET 5 H MET 5 13.331 9.072 7.033 24 HA MET 5 HA MET 5 11.906 11.505 7.078 25 HB2 MET 5 HB2 MET 5 14.328 11.894 5.927 26 HB3 MET 5 HB3 MET 5 13.386 11.415 4.521 27 HG2 MET 5 HG2 MET 5 11.698 13.198 5.501 28 HG3 MET 5 HG3 MET 5 13.176 13.836 6.217 29 HE1 MET 5 HE1 MET 5 15.372 14.324 2.948 30 HE2 MET 5 HE2 MET 5 15.361 14.474 4.705 31 HE3 MET 5 HE3 MET 5 15.263 12.880 3.955 32 H ALA 6 H ALA 6 11.347 8.722 6.978 33 HA ALA 6 HA ALA 6 9.435 8.713 4.838 34 HB1 ALA 6 HB1 ALA 6 11.300 6.387 4.741 35 HB2 ALA 6 HB2 ALA 6 10.244 7.036 3.486 36 HB3 ALA 6 HB3 ALA 6 11.732 7.882 3.912 37 H LYS 7 H LYS 7 8.618 6.169 4.756 38 HA LYS 7 HA LYS 7 7.278 5.815 7.205 39 HB2 LYS 7 HB2 LYS 7 7.633 4.057 4.787 40 HB3 LYS 7 HB3 LYS 7 6.718 3.520 6.190 41 HG2 LYS 7 HG2 LYS 7 4.973 4.882 5.747 42 HG3 LYS 7 HG3 LYS 7 5.996 6.163 5.093 43 HD2 LYS 7 HD2 LYS 7 5.265 5.518 3.082 44 HD3 LYS 7 HD3 LYS 7 6.312 4.110 3.278 45 HE2 LYS 7 HE2 LYS 7 3.392 4.306 4.011 46 HE3 LYS 7 HE3 LYS 7 4.080 3.404 2.661 47 HZ1 LYS 7 HZ1 LYS 7 4.446 2.852 5.552 48 HZ2 LYS 7 HZ2 LYS 7 5.320 2.074 4.331 49 HZ3 LYS 7 HZ3 LYS 7 3.641 1.887 4.420 50 H ALA 8 H ALA 8 7.707 4.626 8.978 51 HA ALA 8 HA ALA 8 10.340 3.376 9.146 52 HB1 ALA 8 HB1 ALA 8 8.625 4.783 10.975 53 HB2 ALA 8 HB2 ALA 8 9.089 3.217 11.642 54 HB3 ALA 8 HB3 ALA 8 10.330 4.362 11.135 55 H ARG 9 H ARG 9 10.564 1.262 8.885 56 HA ARG 9 HA ARG 9 8.218 -0.469 9.226 57 HB2 ARG 9 HB2 ARG 9 10.822 -0.895 7.755 58 HB3 ARG 9 HB3 ARG 9 9.593 -2.138 7.950 59 HG2 ARG 9 HG2 ARG 9 8.103 -1.073 6.539 60 HG3 ARG 9 HG3 ARG 9 8.882 0.498 6.739 61 HD2 ARG 9 HD2 ARG 9 10.873 -0.445 5.540 62 HD3 ARG 9 HD3 ARG 9 9.903 -1.875 5.191 63 HE ARG 9 HE ARG 9 9.753 0.666 3.889 64 HH11 ARG 9 HH11 ARG 9 7.928 -2.161 4.783 65 HH12 ARG 9 HH12 ARG 9 6.770 -1.977 3.507 66 HH21 ARG 9 HH21 ARG 9 8.235 0.919 2.205 67 HH22 ARG 9 HH22 ARG 9 6.946 -0.225 2.041 68 H LYS 10 H LYS 10 10.189 0.608 11.310 69 HA LYS 10 HA LYS 10 11.610 -1.668 12.288 70 HB2 LYS 10 HB2 LYS 10 11.931 0.926 12.726 71 HB3 LYS 10 HB3 LYS 10 10.864 0.597 14.084 72 HG2 LYS 10 HG2 LYS 10 13.148 0.465 14.810 73 HG3 LYS 10 HG3 LYS 10 12.430 -1.147 14.852 74 HD2 LYS 10 HD2 LYS 10 13.934 -1.934 13.407 75 HD3 LYS 10 HD3 LYS 10 13.641 -0.604 12.284 76 HE2 LYS 10 HE2 LYS 10 15.980 -0.696 13.057 77 HE3 LYS 10 HE3 LYS 10 15.178 0.810 13.499 78 HZ1 LYS 10 HZ1 LYS 10 14.808 -1.049 15.567 79 HZ2 LYS 10 HZ2 LYS 10 15.656 0.414 15.608 80 HZ3 LYS 10 HZ3 LYS 10 16.454 -1.014 15.180 81 HA PRO 11 HA PRO 11 7.968 -3.569 14.065 82 HB2 PRO 11 HB2 PRO 11 9.252 -5.799 14.931 83 HB3 PRO 11 HB3 PRO 11 8.779 -5.557 13.246 84 HG2 PRO 11 HG2 PRO 11 11.448 -5.153 14.541 85 HG3 PRO 11 HG3 PRO 11 11.064 -5.902 12.980 86 HD2 PRO 11 HD2 PRO 11 11.967 -3.358 13.192 87 HD3 PRO 11 HD3 PRO 11 10.843 -3.869 11.917 88 H ARG 12 H ARG 12 11.080 -3.844 15.802 89 HA ARG 12 HA ARG 12 10.039 -4.105 18.365 90 HB2 ARG 12 HB2 ARG 12 12.648 -3.124 17.277 91 HB3 ARG 12 HB3 ARG 12 12.316 -2.952 18.995 92 HG2 ARG 12 HG2 ARG 12 12.313 -5.226 19.362 93 HG3 ARG 12 HG3 ARG 12 11.943 -5.602 17.678 94 HD2 ARG 12 HD2 ARG 12 14.157 -6.168 17.735 95 HD3 ARG 12 HD3 ARG 12 14.285 -4.474 17.264 96 HE ARG 12 HE ARG 12 14.358 -4.842 20.100 97 HH11 ARG 12 HH11 ARG 12 16.260 -4.929 17.186 98 HH12 ARG 12 HH12 ARG 12 17.757 -4.611 17.998 99 HH21 ARG 12 HH21 ARG 12 16.323 -4.424 21.181 100 HH22 ARG 12 HH22 ARG 12 17.792 -4.325 20.271 101 H GLU 13 H GLU 13 11.049 -1.150 16.662 102 HA GLU 13 HA GLU 13 10.398 0.624 18.761 103 HB2 GLU 13 HB2 GLU 13 11.336 0.808 16.036 104 HB3 GLU 13 HB3 GLU 13 10.110 2.029 16.347 105 HG2 GLU 13 HG2 GLU 13 11.524 2.460 18.506 106 HG3 GLU 13 HG3 GLU 13 12.801 1.690 17.567 107 H ALA 14 H ALA 14 8.486 -1.006 16.413 108 HA ALA 14 HA ALA 14 6.278 0.776 16.338 109 HB1 ALA 14 HB1 ALA 14 5.372 -1.863 15.878 110 HB2 ALA 14 HB2 ALA 14 5.708 -0.599 14.695 111 HB3 ALA 14 HB3 ALA 14 6.981 -1.722 15.170 112 H LEU 15 H LEU 15 7.063 -2.044 18.324 113 HA LEU 15 HA LEU 15 4.591 -2.208 19.673 114 HB2 LEU 15 HB2 LEU 15 5.883 -4.111 19.861 115 HB3 LEU 15 HB3 LEU 15 7.355 -3.202 20.198 116 HG LEU 15 HG LEU 15 6.277 -2.639 22.449 117 HD11 LEU 15 HD11 LEU 15 4.540 -4.017 23.254 118 HD12 LEU 15 HD12 LEU 15 4.623 -5.076 21.846 119 HD13 LEU 15 HD13 LEU 15 4.004 -3.433 21.678 120 HD21 LEU 15 HD21 LEU 15 7.398 -5.245 21.564 121 HD22 LEU 15 HD22 LEU 15 6.768 -5.123 23.207 122 HD23 LEU 15 HD23 LEU 15 8.060 -4.045 22.675 123 H LEU 16 H LEU 16 7.550 -0.409 20.324 124 HA LEU 16 HA LEU 16 6.818 0.499 22.906 125 HB2 LEU 16 HB2 LEU 16 8.603 2.040 21.062 126 HB3 LEU 16 HB3 LEU 16 8.696 1.874 22.814 127 HG LEU 16 HG LEU 16 9.430 -0.210 20.759 128 HD11 LEU 16 HD11 LEU 16 11.559 0.279 22.465 129 HD12 LEU 16 HD12 LEU 16 10.893 1.876 22.129 130 HD13 LEU 16 HD13 LEU 16 11.393 0.832 20.799 131 HD21 LEU 16 HD21 LEU 16 10.265 -1.429 22.829 132 HD22 LEU 16 HD22 LEU 16 8.522 -1.421 22.558 133 HD23 LEU 16 HD23 LEU 16 9.233 -0.338 23.755 134 H TRP 17 H TRP 17 6.522 1.932 19.675 135 HA TRP 17 HA TRP 17 5.302 4.336 20.631 136 HB2 TRP 17 HB2 TRP 17 6.589 4.132 18.479 137 HB3 TRP 17 HB3 TRP 17 5.231 3.222 17.821 138 HD1 TRP 17 HD1 TRP 17 3.339 4.597 16.739 139 HE1 TRP 17 HE1 TRP 17 2.766 7.102 16.582 140 HE3 TRP 17 HE3 TRP 17 6.834 6.436 19.986 141 HZ2 TRP 17 HZ2 TRP 17 3.675 9.535 17.687 142 HZ3 TRP 17 HZ3 TRP 17 6.916 8.863 20.380 143 HH2 TRP 17 HH2 TRP 17 5.369 10.379 19.253 144 H ALA 18 H ALA 18 4.157 1.228 19.511 145 HA ALA 18 HA ALA 18 1.428 2.017 19.190 146 HB1 ALA 18 HB1 ALA 18 0.960 -0.295 18.845 147 HB2 ALA 18 HB2 ALA 18 2.499 0.058 18.057 148 HB3 ALA 18 HB3 ALA 18 2.475 -0.776 19.611 149 H LEU 19 H LEU 19 2.948 -0.163 21.577 150 HA LEU 19 HA LEU 19 0.809 -0.372 23.312 151 HB2 LEU 19 HB2 LEU 19 2.315 -1.190 24.920 152 HB3 LEU 19 HB3 LEU 19 2.983 -1.649 23.355 153 HG LEU 19 HG LEU 19 4.400 0.531 23.652 154 HD11 LEU 19 HD11 LEU 19 3.649 1.551 25.558 155 HD12 LEU 19 HD12 LEU 19 4.963 0.576 26.216 156 HD13 LEU 19 HD13 LEU 19 3.295 0.025 26.369 157 HD21 LEU 19 HD21 LEU 19 6.155 -0.810 24.210 158 HD22 LEU 19 HD22 LEU 19 4.974 -2.051 23.790 159 HD23 LEU 19 HD23 LEU 19 5.261 -1.642 25.483 160 H SER 20 H SER 20 2.984 2.276 22.833 161 HA SER 20 HA SER 20 2.144 3.601 25.291 162 HB2 SER 20 HB2 SER 20 4.514 3.733 24.648 163 HB3 SER 20 HB3 SER 20 4.063 4.509 23.130 164 HG SER 20 HG SER 20 4.422 5.616 25.549 165 H ASP 21 H ASP 21 1.228 3.412 22.035 166 HA ASP 21 HA ASP 21 0.189 6.071 21.759 167 HB2 ASP 21 HB2 ASP 21 0.545 3.775 20.080 168 HB3 ASP 21 HB3 ASP 21 -1.124 4.323 19.955 169 H LEU 22 H LEU 22 -0.764 3.528 23.619 170 HA LEU 22 HA LEU 22 -3.598 4.327 23.500 171 HB2 LEU 22 HB2 LEU 22 -3.840 2.019 24.726 172 HB3 LEU 22 HB3 LEU 22 -3.742 2.117 22.969 173 HG LEU 22 HG LEU 22 -1.127 1.807 24.192 174 HD11 LEU 22 HD11 LEU 22 -1.320 -0.167 25.311 175 HD12 LEU 22 HD12 LEU 22 -2.772 -0.652 24.437 176 HD13 LEU 22 HD13 LEU 22 -2.878 0.550 25.724 177 HD21 LEU 22 HD21 LEU 22 -0.800 0.306 22.445 178 HD22 LEU 22 HD22 LEU 22 -1.943 1.469 21.773 179 HD23 LEU 22 HD23 LEU 22 -2.514 -0.100 22.343 180 H GLU 23 H GLU 23 -4.762 4.268 25.553 181 HA GLU 23 HA GLU 23 -3.256 5.546 27.624 182 HB2 GLU 23 HB2 GLU 23 -6.138 4.694 27.397 183 HB3 GLU 23 HB3 GLU 23 -5.490 5.442 28.849 184 HG2 GLU 23 HG2 GLU 23 -4.664 7.166 26.900 185 HG3 GLU 23 HG3 GLU 23 -6.230 6.633 26.293 186 H GLU 24 H GLU 24 -3.434 4.843 29.929 187 HA GLU 24 HA GLU 24 -2.391 2.215 30.209 188 HB2 GLU 24 HB2 GLU 24 -3.417 3.832 32.520 189 HB3 GLU 24 HB3 GLU 24 -2.041 2.739 32.460 190 HG2 GLU 24 HG2 GLU 24 -0.851 4.630 32.378 191 HG3 GLU 24 HG3 GLU 24 -1.267 4.598 30.666 192 H ASN 25 H ASN 25 -5.542 3.665 30.751 193 HA ASN 25 HA ASN 25 -6.651 1.396 32.094 194 HB2 ASN 25 HB2 ASN 25 -7.697 3.969 31.009 195 HB3 ASN 25 HB3 ASN 25 -8.849 2.667 31.290 196 HD21 ASN 25 HD21 ASN 25 -9.090 4.977 32.673 197 HD22 ASN 25 HD22 ASN 25 -8.668 4.731 34.331 198 H ASP 26 H ASP 26 -5.526 1.546 29.106 199 HA ASP 26 HA ASP 26 -7.702 -0.071 27.949 200 HB2 ASP 26 HB2 ASP 26 -5.702 1.786 26.690 201 HB3 ASP 26 HB3 ASP 26 -6.459 0.509 25.743 202 H PHE 27 H PHE 27 -4.154 0.287 27.830 203 HA PHE 27 HA PHE 27 -3.625 -2.239 26.743 204 HB2 PHE 27 HB2 PHE 27 -1.512 -1.495 26.776 205 HB3 PHE 27 HB3 PHE 27 -2.120 -0.030 27.540 206 HD1 PHE 27 HD2 PHE 27 -0.418 -3.219 28.071 207 HD2 PHE 27 HD1 PHE 27 -1.868 0.334 29.914 208 HE1 PHE 27 HE2 PHE 27 0.911 -3.722 30.079 209 HE2 PHE 27 HE1 PHE 27 -0.540 -0.163 31.925 210 HZ PHE 27 HZ PHE 27 0.850 -2.194 32.010 211 H LYS 28 H LYS 28 -3.944 -1.165 30.087 212 HA LYS 28 HA LYS 28 -3.085 -3.545 31.324 213 HB2 LYS 28 HB2 LYS 28 -3.171 -1.774 32.801 214 HB3 LYS 28 HB3 LYS 28 -4.701 -1.181 32.167 215 HG2 LYS 28 HG2 LYS 28 -4.737 -3.810 33.523 216 HG3 LYS 28 HG3 LYS 28 -4.488 -2.381 34.529 217 HD2 LYS 28 HD2 LYS 28 -6.577 -1.777 32.725 218 HD3 LYS 28 HD3 LYS 28 -6.911 -3.378 33.389 219 HE2 LYS 28 HE2 LYS 28 -7.936 -1.723 34.798 220 HE3 LYS 28 HE3 LYS 28 -6.582 -2.447 35.664 221 HZ1 LYS 28 HZ1 LYS 28 -6.047 -0.317 36.048 222 HZ2 LYS 28 HZ2 LYS 28 -6.942 0.274 34.740 223 HZ3 LYS 28 HZ3 LYS 28 -5.396 -0.364 34.487 224 H LYS 29 H LYS 29 -6.300 -2.425 30.339 225 HA LYS 29 HA LYS 29 -7.848 -4.462 31.401 226 HB2 LYS 29 HB2 LYS 29 -8.170 -2.380 29.453 227 HB3 LYS 29 HB3 LYS 29 -8.922 -3.852 28.854 228 HG2 LYS 29 HG2 LYS 29 -10.521 -2.492 30.068 229 HG3 LYS 29 HG3 LYS 29 -10.238 -4.021 30.904 230 HD2 LYS 29 HD2 LYS 29 -9.292 -3.015 32.692 231 HD3 LYS 29 HD3 LYS 29 -8.490 -1.789 31.708 232 HE2 LYS 29 HE2 LYS 29 -10.216 -0.850 33.208 233 HE3 LYS 29 HE3 LYS 29 -10.544 -0.545 31.503 234 HZ1 LYS 29 HZ1 LYS 29 -12.544 -1.226 32.642 235 HZ2 LYS 29 HZ2 LYS 29 -11.806 -2.652 33.173 236 HZ3 LYS 29 HZ3 LYS 29 -12.096 -2.414 31.524 237 H LEU 30 H LEU 30 -5.956 -4.404 28.430 238 HA LEU 30 HA LEU 30 -6.907 -6.940 27.498 239 HB2 LEU 30 HB2 LEU 30 -4.295 -5.976 26.543 240 HB3 LEU 30 HB3 LEU 30 -5.698 -6.538 25.637 241 HG LEU 30 HG LEU 30 -5.315 -3.788 26.818 242 HD11 LEU 30 HD11 LEU 30 -4.261 -4.819 24.508 243 HD12 LEU 30 HD12 LEU 30 -4.566 -3.112 24.827 244 HD13 LEU 30 HD13 LEU 30 -5.758 -4.071 23.950 245 HD21 LEU 30 HD21 LEU 30 -7.413 -3.470 25.247 246 HD22 LEU 30 HD22 LEU 30 -7.588 -3.978 26.927 247 HD23 LEU 30 HD23 LEU 30 -7.663 -5.173 25.631 248 H LYS 31 H LYS 31 -3.793 -5.839 28.840 249 HA LYS 31 HA LYS 31 -2.530 -8.310 28.958 250 HB2 LYS 31 HB2 LYS 31 -2.236 -5.970 30.851 251 HB3 LYS 31 HB3 LYS 31 -1.102 -7.307 30.708 252 HG2 LYS 31 HG2 LYS 31 -1.791 -5.389 28.492 253 HG3 LYS 31 HG3 LYS 31 -0.362 -5.282 29.523 254 HD2 LYS 31 HD2 LYS 31 0.492 -7.343 28.683 255 HD3 LYS 31 HD3 LYS 31 -1.020 -7.696 27.844 256 HE2 LYS 31 HE2 LYS 31 0.844 -5.407 27.222 257 HE3 LYS 31 HE3 LYS 31 0.730 -6.910 26.310 258 HZ1 LYS 31 HZ1 LYS 31 -1.834 -5.776 26.569 259 HZ2 LYS 31 HZ2 LYS 31 -0.947 -6.072 25.160 260 HZ3 LYS 31 HZ3 LYS 31 -0.775 -4.599 25.973 261 H PHE 32 H PHE 32 -5.016 -6.978 30.972 262 HA PHE 32 HA PHE 32 -4.643 -8.670 33.221 263 HB2 PHE 32 HB2 PHE 32 -5.927 -6.578 33.350 264 HB3 PHE 32 HB3 PHE 32 -7.140 -7.253 32.267 265 HD1 PHE 32 HD2 PHE 32 -5.413 -8.233 35.431 266 HD2 PHE 32 HD1 PHE 32 -9.065 -7.985 33.258 267 HE1 PHE 32 HE2 PHE 32 -6.623 -9.151 37.366 268 HE2 PHE 32 HE1 PHE 32 -10.281 -8.902 35.191 269 HZ PHE 32 HZ PHE 32 -9.060 -9.487 37.248 270 H TYR 33 H TYR 33 -6.867 -8.819 30.449 271 HA TYR 33 HA TYR 33 -7.635 -11.532 31.211 272 HB2 TYR 33 HB2 TYR 33 -9.244 -9.630 30.411 273 HB3 TYR 33 HB3 TYR 33 -8.709 -10.104 28.803 274 HD1 TYR 33 HD2 TYR 33 -8.883 -12.664 28.268 275 HD2 TYR 33 HD1 TYR 33 -11.056 -10.716 31.365 276 HE1 TYR 33 HE2 TYR 33 -10.529 -14.491 28.255 277 HE2 TYR 33 HE1 TYR 33 -12.707 -12.539 31.361 278 HH TYR 33 HH TYR 33 -13.509 -14.294 30.006 279 H LEU 34 H LEU 34 -6.503 -9.826 28.291 280 HA LEU 34 HA LEU 34 -6.061 -12.019 26.670 281 HB2 LEU 34 HB2 LEU 34 -5.429 -9.262 26.646 282 HB3 LEU 34 HB3 LEU 34 -3.951 -10.141 26.262 283 HG LEU 34 HG LEU 34 -5.293 -9.405 24.284 284 HD11 LEU 34 HD11 LEU 34 -4.340 -11.076 23.170 285 HD12 LEU 34 HD12 LEU 34 -5.385 -12.275 23.930 286 HD13 LEU 34 HD13 LEU 34 -3.904 -11.760 24.737 287 HD21 LEU 34 HD21 LEU 34 -7.396 -10.152 23.850 288 HD22 LEU 34 HD22 LEU 34 -7.467 -10.153 25.613 289 HD23 LEU 34 HD23 LEU 34 -7.167 -11.657 24.741 290 H ARG 35 H ARG 35 -3.613 -10.370 28.677 291 HA ARG 35 HA ARG 35 -1.584 -12.266 28.258 292 HB2 ARG 35 HB2 ARG 35 -1.794 -9.835 29.559 293 HB3 ARG 35 HB3 ARG 35 -1.484 -10.964 30.871 294 HG2 ARG 35 HG2 ARG 35 0.335 -11.705 28.930 295 HG3 ARG 35 HG3 ARG 35 0.305 -9.943 28.837 296 HD2 ARG 35 HD2 ARG 35 0.501 -11.315 31.488 297 HD3 ARG 35 HD3 ARG 35 1.936 -11.115 30.484 298 HE ARG 35 HE ARG 35 1.770 -8.781 30.756 299 HH11 ARG 35 HH11 ARG 35 -0.678 -10.526 32.511 300 HH12 ARG 35 HH12 ARG 35 -1.076 -9.192 33.541 301 HH21 ARG 35 HH21 ARG 35 1.255 -7.016 32.106 302 HH22 ARG 35 HH22 ARG 35 0.023 -7.195 33.309 303 H ASP 36 H ASP 36 -4.127 -12.044 30.684 304 HA ASP 36 HA ASP 36 -3.306 -13.917 32.524 305 HB2 ASP 36 HB2 ASP 36 -5.265 -12.853 33.134 306 HB3 ASP 36 HB3 ASP 36 -5.990 -13.046 31.540 307 H MET 37 H MET 37 -5.155 -14.516 29.543 308 HA MET 37 HA MET 37 -4.854 -17.387 29.890 309 HB2 MET 37 HB2 MET 37 -7.003 -16.718 29.121 310 HB3 MET 37 HB3 MET 37 -6.314 -15.690 27.871 311 HG2 MET 37 HG2 MET 37 -5.928 -17.422 26.458 312 HG3 MET 37 HG3 MET 37 -5.674 -18.577 27.764 313 HE1 MET 37 HE1 MET 37 -7.704 -17.284 25.107 314 HE2 MET 37 HE2 MET 37 -9.349 -17.880 25.325 315 HE3 MET 37 HE3 MET 37 -8.828 -16.410 26.149 316 H THR 38 H THR 38 -4.333 -15.205 27.115 317 HA THR 38 HA THR 38 -2.775 -16.821 25.561 318 HB THR 38 HB THR 38 -1.880 -14.868 24.492 319 HG1 THR 38 HG1 THR 38 -2.324 -13.719 27.003 320 HG21 THR 38 HG21 THR 38 -4.519 -15.337 24.711 321 HG22 THR 38 HG22 THR 38 -3.849 -14.024 23.742 322 HG23 THR 38 HG23 THR 38 -4.453 -13.702 25.366 323 H LEU 39 H LEU 39 -1.843 -15.132 28.468 324 HA LEU 39 HA LEU 39 0.813 -16.383 28.279 325 HB2 LEU 39 HB2 LEU 39 0.085 -13.572 28.960 326 HB3 LEU 39 HB3 LEU 39 1.493 -14.306 29.725 327 HG LEU 39 HG LEU 39 1.964 -14.849 27.099 328 HD11 LEU 39 HD11 LEU 39 1.330 -12.043 26.745 329 HD12 LEU 39 HD12 LEU 39 -0.112 -13.027 26.993 330 HD13 LEU 39 HD13 LEU 39 1.008 -13.418 25.689 331 HD21 LEU 39 HD21 LEU 39 2.772 -12.484 28.777 332 HD22 LEU 39 HD22 LEU 39 3.503 -12.866 27.218 333 HD23 LEU 39 HD23 LEU 39 3.637 -14.005 28.559 334 H SER 40 H SER 40 1.885 -16.059 30.628 335 HA SER 40 HA SER 40 -0.108 -17.076 32.548 336 HB2 SER 40 HB2 SER 40 2.224 -18.316 31.600 337 HB3 SER 40 HB3 SER 40 2.616 -17.775 33.233 338 HG SER 40 HG SER 40 0.651 -19.589 32.376 339 H GLU 41 H GLU 41 1.305 -17.020 34.855 340 HA GLU 41 HA GLU 41 1.173 -14.284 35.589 341 HB2 GLU 41 HB2 GLU 41 2.375 -16.591 37.129 342 HB3 GLU 41 HB3 GLU 41 1.904 -15.034 37.794 343 HG2 GLU 41 HG2 GLU 41 -0.408 -15.477 37.361 344 HG3 GLU 41 HG3 GLU 41 -0.007 -16.957 36.492 345 H GLY 42 H GLY 42 3.255 -13.789 37.273 346 HA2 GLY 42 HA2 GLY 42 5.689 -13.763 37.287 347 HA3 GLY 42 HA3 GLY 42 5.639 -13.895 35.535 348 H GLN 43 H GLN 43 3.250 -11.872 35.897 349 HA GLN 43 HA GLN 43 4.995 -9.506 35.822 350 HB2 GLN 43 HB2 GLN 43 2.195 -9.451 34.786 351 HB3 GLN 43 HB3 GLN 43 3.607 -8.553 34.243 352 HG2 GLN 43 HG2 GLN 43 3.111 -11.486 33.783 353 HG3 GLN 43 HG3 GLN 43 2.878 -10.201 32.598 354 HE21 GLN 43 HE21 GLN 43 4.673 -9.192 31.696 355 HE22 GLN 43 HE22 GLN 43 6.256 -9.878 31.789 356 HA PRO 44 HA PRO 44 3.100 -7.721 39.352 357 HB2 PRO 44 HB2 PRO 44 3.015 -5.093 38.678 358 HB3 PRO 44 HB3 PRO 44 4.517 -5.934 39.079 359 HG2 PRO 44 HG2 PRO 44 3.378 -5.272 36.391 360 HG3 PRO 44 HG3 PRO 44 5.052 -5.139 36.961 361 HD2 PRO 44 HD2 PRO 44 4.191 -7.204 35.435 362 HD3 PRO 44 HD3 PRO 44 5.466 -7.386 36.657 363 HA PRO 45 HA PRO 45 -1.233 -7.135 38.889 364 HB2 PRO 45 HB2 PRO 45 -1.796 -5.268 40.778 365 HB3 PRO 45 HB3 PRO 45 -1.366 -6.936 41.174 366 HG2 PRO 45 HG2 PRO 45 0.349 -4.482 41.192 367 HG3 PRO 45 HG3 PRO 45 0.269 -5.799 42.376 368 HD2 PRO 45 HD2 PRO 45 2.222 -5.637 40.507 369 HD3 PRO 45 HD3 PRO 45 1.602 -7.188 41.109 370 H LEU 46 H LEU 46 -2.920 -5.123 39.019 371 HA LEU 46 HA LEU 46 -2.399 -3.610 36.668 372 HB2 LEU 46 HB2 LEU 46 -4.576 -3.057 38.663 373 HB3 LEU 46 HB3 LEU 46 -4.570 -2.714 36.934 374 HG LEU 46 HG LEU 46 -4.587 -5.505 38.070 375 HD11 LEU 46 HD11 LEU 46 -6.992 -5.513 37.508 376 HD12 LEU 46 HD12 LEU 46 -6.900 -3.780 37.199 377 HD13 LEU 46 HD13 LEU 46 -6.594 -4.403 38.820 378 HD21 LEU 46 HD21 LEU 46 -5.779 -5.241 35.505 379 HD22 LEU 46 HD22 LEU 46 -4.329 -6.136 35.960 380 HD23 LEU 46 HD23 LEU 46 -4.205 -4.446 35.468 381 H ALA 47 H ALA 47 -1.497 -1.669 36.437 382 HA ALA 47 HA ALA 47 -1.600 0.316 38.525 383 HB1 ALA 47 HB1 ALA 47 0.810 -1.311 38.081 384 HB2 ALA 47 HB2 ALA 47 1.075 0.431 38.170 385 HB3 ALA 47 HB3 ALA 47 0.290 -0.411 39.506 386 H ARG 48 H ARG 48 -2.284 1.970 37.320 387 HA ARG 48 HA ARG 48 -1.857 2.331 34.591 388 HB2 ARG 48 HB2 ARG 48 -2.984 4.326 34.813 389 HB3 ARG 48 HB3 ARG 48 -3.493 3.504 36.283 390 HG2 ARG 48 HG2 ARG 48 -1.659 4.704 37.488 391 HG3 ARG 48 HG3 ARG 48 -1.391 5.637 36.014 392 HD2 ARG 48 HD2 ARG 48 -2.805 6.900 37.494 393 HD3 ARG 48 HD3 ARG 48 -3.754 6.372 36.105 394 HE ARG 48 HE ARG 48 -5.040 5.088 37.505 395 HH11 ARG 48 HH11 ARG 48 -2.175 6.128 39.188 396 HH12 ARG 48 HH12 ARG 48 -2.722 5.567 40.734 397 HH21 ARG 48 HH21 ARG 48 -5.770 4.345 39.534 398 HH22 ARG 48 HH22 ARG 48 -4.766 4.552 40.929 399 H GLY 49 H GLY 49 0.199 3.007 37.280 400 HA2 GLY 49 HA2 GLY 49 1.836 4.980 36.031 401 HA3 GLY 49 HA3 GLY 49 2.249 4.040 37.457 402 H GLU 50 H GLU 50 1.554 1.629 35.570 403 HA GLU 50 HA GLU 50 4.250 0.998 34.961 404 HB2 GLU 50 HB2 GLU 50 1.980 -0.463 35.282 405 HB3 GLU 50 HB3 GLU 50 2.147 -0.498 33.532 406 HG2 GLU 50 HG2 GLU 50 4.343 -1.454 33.707 407 HG3 GLU 50 HG3 GLU 50 4.313 -1.292 35.462 408 H LEU 51 H LEU 51 1.697 2.531 33.191 409 HA LEU 51 HA LEU 51 3.271 2.391 30.713 410 HB2 LEU 51 HB2 LEU 51 0.847 1.663 30.755 411 HB3 LEU 51 HB3 LEU 51 0.438 3.360 31.003 412 HG LEU 51 HG LEU 51 2.093 2.575 28.641 413 HD11 LEU 51 HD11 LEU 51 0.445 1.112 28.105 414 HD12 LEU 51 HD12 LEU 51 -0.325 2.590 27.529 415 HD13 LEU 51 HD13 LEU 51 -0.759 1.926 29.104 416 HD21 LEU 51 HD21 LEU 51 1.910 4.782 28.388 417 HD22 LEU 51 HD22 LEU 51 0.645 4.901 29.612 418 HD23 LEU 51 HD23 LEU 51 0.228 4.484 27.949 419 H GLU 52 H GLU 52 1.397 4.693 32.679 420 HA GLU 52 HA GLU 52 2.385 6.981 31.287 421 HB2 GLU 52 HB2 GLU 52 0.219 6.992 32.450 422 HB3 GLU 52 HB3 GLU 52 1.043 6.784 33.989 423 HG2 GLU 52 HG2 GLU 52 2.243 8.955 33.475 424 HG3 GLU 52 HG3 GLU 52 1.075 9.170 32.173 425 H GLY 53 H GLY 53 2.989 5.716 34.571 426 HA2 GLY 53 HA2 GLY 53 5.026 7.550 35.215 427 HA3 GLY 53 HA3 GLY 53 4.769 5.995 35.992 428 H LEU 54 H LEU 54 5.362 4.120 34.284 429 HA LEU 54 HA LEU 54 8.194 4.409 33.901 430 HB2 LEU 54 HB2 LEU 54 6.532 2.100 32.950 431 HB3 LEU 54 HB3 LEU 54 8.228 2.109 33.431 432 HG LEU 54 HG LEU 54 5.823 2.314 35.238 433 HD11 LEU 54 HD11 LEU 54 6.727 0.215 36.163 434 HD12 LEU 54 HD12 LEU 54 7.958 0.213 34.901 435 HD13 LEU 54 HD13 LEU 54 6.254 0.066 34.471 436 HD21 LEU 54 HD21 LEU 54 7.535 3.771 36.099 437 HD22 LEU 54 HD22 LEU 54 8.762 2.523 35.880 438 HD23 LEU 54 HD23 LEU 54 7.484 2.303 37.076 439 H ILE 55 H ILE 55 8.750 2.951 31.660 440 HA ILE 55 HA ILE 55 7.616 4.589 29.487 441 HB ILE 55 HB ILE 55 9.837 4.282 28.336 442 HG12 ILE 55 HG12 ILE 55 10.572 3.276 31.086 443 HG13 ILE 55 HG13 ILE 55 10.780 2.452 29.545 444 HG21 ILE 55 HG21 ILE 55 10.107 5.788 30.922 445 HG22 ILE 55 HG22 ILE 55 10.789 6.181 29.344 446 HG23 ILE 55 HG23 ILE 55 9.054 6.334 29.617 447 HD11 ILE 55 HD11 ILE 55 12.912 3.146 29.950 448 HD12 ILE 55 HD12 ILE 55 12.307 4.516 29.018 449 HD13 ILE 55 HD13 ILE 55 12.396 4.616 30.776 450 HA PRO 56 HA PRO 56 6.617 0.936 27.271 451 HB2 PRO 56 HB2 PRO 56 7.192 1.636 24.712 452 HB3 PRO 56 HB3 PRO 56 5.809 2.288 25.598 453 HG2 PRO 56 HG2 PRO 56 8.496 3.514 25.112 454 HG3 PRO 56 HG3 PRO 56 6.892 4.264 25.025 455 HD2 PRO 56 HD2 PRO 56 8.525 4.562 27.164 456 HD3 PRO 56 HD3 PRO 56 6.756 4.534 27.310 457 H VAL 57 H VAL 57 9.750 2.332 26.329 458 HA VAL 57 HA VAL 57 10.821 0.006 25.165 459 HB VAL 57 HB VAL 57 12.316 2.260 26.513 460 HG11 VAL 57 HG11 VAL 57 13.159 -0.011 24.760 461 HG12 VAL 57 HG12 VAL 57 14.050 1.512 24.731 462 HG13 VAL 57 HG13 VAL 57 13.905 0.602 26.235 463 HG21 VAL 57 HG21 VAL 57 11.582 3.538 24.849 464 HG22 VAL 57 HG22 VAL 57 12.462 2.500 23.728 465 HG23 VAL 57 HG23 VAL 57 10.768 2.171 24.090 466 H ASP 58 H ASP 58 10.292 0.869 28.437 467 HA ASP 58 HA ASP 58 12.243 -1.045 29.454 468 HB2 ASP 58 HB2 ASP 58 11.941 1.153 30.580 469 HB3 ASP 58 HB3 ASP 58 10.289 0.689 30.978 470 H LEU 59 H LEU 59 8.755 -0.447 29.926 471 HA LEU 59 HA LEU 59 8.176 -2.891 31.142 472 HB2 LEU 59 HB2 LEU 59 6.192 -1.930 31.331 473 HB3 LEU 59 HB3 LEU 59 6.757 -0.620 30.296 474 HG LEU 59 HG LEU 59 5.552 -3.128 29.161 475 HD11 LEU 59 HD11 LEU 59 4.101 -0.607 29.954 476 HD12 LEU 59 HD12 LEU 59 3.936 -2.183 30.728 477 HD13 LEU 59 HD13 LEU 59 3.415 -1.962 29.058 478 HD21 LEU 59 HD21 LEU 59 5.925 -2.139 27.212 479 HD22 LEU 59 HD22 LEU 59 6.776 -0.846 28.060 480 HD23 LEU 59 HD23 LEU 59 5.048 -0.700 27.734 481 H ALA 60 H ALA 60 8.413 -2.008 27.758 482 HA ALA 60 HA ALA 60 7.195 -4.282 26.642 483 HB1 ALA 60 HB1 ALA 60 7.580 -2.363 25.274 484 HB2 ALA 60 HB2 ALA 60 9.320 -2.449 25.548 485 HB3 ALA 60 HB3 ALA 60 8.514 -3.701 24.604 486 H GLU 61 H GLU 61 10.598 -3.603 27.413 487 HA GLU 61 HA GLU 61 11.723 -5.948 26.436 488 HB2 GLU 61 HB2 GLU 61 12.486 -3.905 28.430 489 HB3 GLU 61 HB3 GLU 61 13.290 -5.460 28.594 490 HG2 GLU 61 HG2 GLU 61 13.337 -4.745 25.854 491 HG3 GLU 61 HG3 GLU 61 13.857 -3.346 26.793 492 H LEU 62 H LEU 62 9.984 -5.347 29.410 493 HA LEU 62 HA LEU 62 10.695 -7.811 30.669 494 HB2 LEU 62 HB2 LEU 62 10.044 -6.060 32.099 495 HB3 LEU 62 HB3 LEU 62 8.576 -5.745 31.175 496 HG LEU 62 HG LEU 62 8.687 -8.423 32.358 497 HD11 LEU 62 HD11 LEU 62 9.857 -6.865 34.036 498 HD12 LEU 62 HD12 LEU 62 8.517 -7.859 34.607 499 HD13 LEU 62 HD13 LEU 62 8.261 -6.149 34.261 500 HD21 LEU 62 HD21 LEU 62 6.670 -7.690 31.358 501 HD22 LEU 62 HD22 LEU 62 6.704 -6.162 32.238 502 HD23 LEU 62 HD23 LEU 62 6.397 -7.670 33.100 503 H LEU 63 H LEU 63 7.850 -6.667 28.883 504 HA LEU 63 HA LEU 63 6.299 -8.987 29.150 505 HB2 LEU 63 HB2 LEU 63 5.828 -6.573 28.140 506 HB3 LEU 63 HB3 LEU 63 6.146 -7.426 26.630 507 HG LEU 63 HG LEU 63 3.934 -7.909 28.610 508 HD11 LEU 63 HD11 LEU 63 4.040 -7.161 25.697 509 HD12 LEU 63 HD12 LEU 63 3.428 -6.194 27.038 510 HD13 LEU 63 HD13 LEU 63 2.565 -7.647 26.533 511 HD21 LEU 63 HD21 LEU 63 5.018 -9.702 26.469 512 HD22 LEU 63 HD22 LEU 63 3.312 -9.746 26.913 513 HD23 LEU 63 HD23 LEU 63 4.548 -10.098 28.122 514 H ILE 64 H ILE 64 8.458 -7.980 26.503 515 HA ILE 64 HA ILE 64 8.139 -10.216 24.876 516 HB ILE 64 HB ILE 64 10.268 -9.639 23.854 517 HG12 ILE 64 HG12 ILE 64 10.616 -7.694 26.146 518 HG13 ILE 64 HG13 ILE 64 11.500 -9.205 25.967 519 HG21 ILE 64 HG21 ILE 64 8.046 -8.053 23.958 520 HG22 ILE 64 HG22 ILE 64 9.332 -6.918 24.366 521 HG23 ILE 64 HG23 ILE 64 9.406 -7.829 22.858 522 HD11 ILE 64 HD11 ILE 64 11.596 -6.886 24.053 523 HD12 ILE 64 HD12 ILE 64 12.821 -7.286 25.257 524 HD13 ILE 64 HD13 ILE 64 12.509 -8.388 23.916 525 H SER 65 H SER 65 10.088 -9.752 27.741 526 HA SER 65 HA SER 65 11.620 -12.158 27.389 527 HB2 SER 65 HB2 SER 65 12.806 -10.660 28.682 528 HB3 SER 65 HB3 SER 65 11.366 -10.073 29.514 529 HG SER 65 HG SER 65 12.542 -12.630 29.893 530 H LYS 66 H LYS 66 8.633 -11.262 28.938 531 HA LYS 66 HA LYS 66 8.268 -13.300 30.761 532 HB2 LYS 66 HB2 LYS 66 6.651 -11.572 30.689 533 HB3 LYS 66 HB3 LYS 66 6.314 -11.849 28.985 534 HG2 LYS 66 HG2 LYS 66 4.491 -12.660 30.345 535 HG3 LYS 66 HG3 LYS 66 5.301 -14.010 29.547 536 HD2 LYS 66 HD2 LYS 66 6.621 -13.657 31.997 537 HD3 LYS 66 HD3 LYS 66 4.897 -13.525 32.352 538 HE2 LYS 66 HE2 LYS 66 4.477 -15.658 31.304 539 HE3 LYS 66 HE3 LYS 66 6.159 -15.775 30.789 540 HZ1 LYS 66 HZ1 LYS 66 6.277 -17.005 32.666 541 HZ2 LYS 66 HZ2 LYS 66 4.987 -16.215 33.422 542 HZ3 LYS 66 HZ3 LYS 66 6.516 -15.491 33.383 543 H TYR 67 H TYR 67 6.949 -13.334 27.444 544 HA TYR 67 HA TYR 67 7.298 -16.261 27.449 545 HB2 TYR 67 HB2 TYR 67 4.893 -14.864 27.289 546 HB3 TYR 67 HB3 TYR 67 5.239 -15.322 25.625 547 HD1 TYR 67 HD2 TYR 67 4.480 -16.559 28.991 548 HD2 TYR 67 HD1 TYR 67 5.249 -17.649 24.951 549 HE1 TYR 67 HE2 TYR 67 3.642 -18.826 29.449 550 HE2 TYR 67 HE1 TYR 67 4.412 -19.918 25.397 551 HH TYR 67 HH TYR 67 2.562 -20.742 27.868 552 H GLY 68 H GLY 68 7.250 -13.306 25.512 553 HA2 GLY 68 HA2 GLY 68 9.456 -13.767 23.987 554 HA3 GLY 68 HA3 GLY 68 8.185 -14.629 23.131 555 H GLU 69 H GLU 69 9.812 -12.205 22.451 556 HA GLU 69 HA GLU 69 8.245 -9.889 22.545 557 HB2 GLU 69 HB2 GLU 69 9.608 -9.208 20.510 558 HB3 GLU 69 HB3 GLU 69 10.517 -9.629 21.954 559 HG2 GLU 69 HG2 GLU 69 11.095 -11.761 21.059 560 HG3 GLU 69 HG3 GLU 69 10.006 -11.540 19.690 561 H LYS 70 H LYS 70 8.027 -12.707 20.552 562 HA LYS 70 HA LYS 70 6.600 -11.643 18.373 563 HB2 LYS 70 HB2 LYS 70 6.626 -14.416 19.570 564 HB3 LYS 70 HB3 LYS 70 5.804 -14.014 18.067 565 HG2 LYS 70 HG2 LYS 70 8.758 -13.811 18.613 566 HG3 LYS 70 HG3 LYS 70 7.946 -14.994 17.585 567 HD2 LYS 70 HD2 LYS 70 8.321 -13.591 15.890 568 HD3 LYS 70 HD3 LYS 70 7.083 -12.553 16.602 569 HE2 LYS 70 HE2 LYS 70 8.941 -11.153 16.309 570 HE3 LYS 70 HE3 LYS 70 8.962 -11.573 18.021 571 HZ1 LYS 70 HZ1 LYS 70 10.583 -13.352 17.432 572 HZ2 LYS 70 HZ2 LYS 70 11.161 -11.779 17.202 573 HZ3 LYS 70 HZ3 LYS 70 10.667 -12.701 15.873 574 H GLU 71 H GLU 71 5.085 -13.918 20.620 575 HA GLU 71 HA GLU 71 2.485 -13.124 20.208 576 HB2 GLU 71 HB2 GLU 71 3.224 -15.159 21.456 577 HB3 GLU 71 HB3 GLU 71 3.592 -14.130 22.833 578 HG2 GLU 71 HG2 GLU 71 1.521 -14.552 23.509 579 HG3 GLU 71 HG3 GLU 71 1.004 -13.443 22.239 580 H ALA 72 H ALA 72 4.928 -11.603 22.142 581 HA ALA 72 HA ALA 72 3.501 -10.110 23.950 582 HB1 ALA 72 HB1 ALA 72 5.933 -10.119 23.860 583 HB2 ALA 72 HB2 ALA 72 5.893 -9.206 22.351 584 HB3 ALA 72 HB3 ALA 72 5.313 -8.467 23.844 585 H VAL 73 H VAL 73 4.500 -8.894 20.743 586 HA VAL 73 HA VAL 73 2.922 -6.593 20.782 587 HB VAL 73 HB VAL 73 4.084 -8.202 18.527 588 HG11 VAL 73 HG11 VAL 73 2.445 -7.357 17.230 589 HG12 VAL 73 HG12 VAL 73 2.035 -6.091 18.390 590 HG13 VAL 73 HG13 VAL 73 3.416 -5.887 17.311 591 HG21 VAL 73 HG21 VAL 73 5.235 -5.847 18.298 592 HG22 VAL 73 HG22 VAL 73 4.755 -5.694 19.988 593 HG23 VAL 73 HG23 VAL 73 5.801 -7.022 19.485 594 H LYS 74 H LYS 74 2.182 -9.869 19.731 595 HA LYS 74 HA LYS 74 -0.277 -9.314 18.469 596 HB2 LYS 74 HB2 LYS 74 0.562 -11.861 19.866 597 HB3 LYS 74 HB3 LYS 74 -0.719 -11.703 18.671 598 HG2 LYS 74 HG2 LYS 74 0.826 -11.268 16.934 599 HG3 LYS 74 HG3 LYS 74 2.153 -11.049 18.077 600 HD2 LYS 74 HD2 LYS 74 1.232 -13.577 18.665 601 HD3 LYS 74 HD3 LYS 74 1.072 -13.491 16.909 602 HE2 LYS 74 HE2 LYS 74 3.574 -12.351 17.666 603 HE3 LYS 74 HE3 LYS 74 3.410 -13.923 18.446 604 HZ1 LYS 74 HZ1 LYS 74 4.297 -14.512 16.440 605 HZ2 LYS 74 HZ2 LYS 74 3.526 -13.271 15.588 606 HZ3 LYS 74 HZ3 LYS 74 2.650 -14.635 16.072 607 H VAL 75 H VAL 75 0.537 -10.177 21.804 608 HA VAL 75 HA VAL 75 -2.068 -10.458 22.791 609 HB VAL 75 HB VAL 75 0.339 -10.826 23.894 610 HG11 VAL 75 HG11 VAL 75 -0.548 -8.450 25.463 611 HG12 VAL 75 HG12 VAL 75 1.049 -9.192 25.347 612 HG13 VAL 75 HG13 VAL 75 0.433 -8.211 24.017 613 HG21 VAL 75 HG21 VAL 75 -1.933 -11.622 24.644 614 HG22 VAL 75 HG22 VAL 75 -0.771 -11.315 25.934 615 HG23 VAL 75 HG23 VAL 75 -2.046 -10.144 25.599 616 H VAL 76 H VAL 76 -0.273 -7.649 21.914 617 HA VAL 76 HA VAL 76 -1.851 -5.804 23.469 618 HB VAL 76 HB VAL 76 0.372 -5.557 21.505 619 HG11 VAL 76 HG11 VAL 76 -1.100 -3.977 20.536 620 HG12 VAL 76 HG12 VAL 76 -1.608 -3.374 22.115 621 HG13 VAL 76 HG13 VAL 76 0.027 -3.057 21.532 622 HG21 VAL 76 HG21 VAL 76 -0.178 -4.245 24.165 623 HG22 VAL 76 HG22 VAL 76 0.782 -5.705 23.926 624 HG23 VAL 76 HG23 VAL 76 1.330 -4.169 23.254 625 H LEU 77 H LEU 77 -1.510 -6.514 19.992 626 HA LEU 77 HA LEU 77 -3.638 -4.827 19.190 627 HB2 LEU 77 HB2 LEU 77 -3.520 -6.162 17.060 628 HB3 LEU 77 HB3 LEU 77 -2.026 -5.373 17.563 629 HG LEU 77 HG LEU 77 -1.691 -7.832 18.653 630 HD11 LEU 77 HD11 LEU 77 -2.371 -9.050 16.250 631 HD12 LEU 77 HD12 LEU 77 -3.787 -8.093 16.685 632 HD13 LEU 77 HD13 LEU 77 -3.147 -9.285 17.816 633 HD21 LEU 77 HD21 LEU 77 -0.824 -7.880 15.910 634 HD22 LEU 77 HD22 LEU 77 0.128 -7.706 17.385 635 HD23 LEU 77 HD23 LEU 77 -0.572 -6.282 16.613 636 H LYS 78 H LYS 78 -3.435 -8.367 19.537 637 HA LYS 78 HA LYS 78 -5.986 -9.081 18.840 638 HB2 LYS 78 HB2 LYS 78 -3.900 -10.445 19.800 639 HB3 LYS 78 HB3 LYS 78 -4.863 -10.380 21.270 640 HG2 LYS 78 HG2 LYS 78 -5.645 -11.572 18.622 641 HG3 LYS 78 HG3 LYS 78 -5.363 -12.417 20.147 642 HD2 LYS 78 HD2 LYS 78 -7.549 -10.389 19.684 643 HD3 LYS 78 HD3 LYS 78 -7.768 -12.138 19.603 644 HE2 LYS 78 HE2 LYS 78 -6.519 -11.014 22.050 645 HE3 LYS 78 HE3 LYS 78 -8.245 -10.743 21.816 646 HZ1 LYS 78 HZ1 LYS 78 -8.585 -13.106 21.641 647 HZ2 LYS 78 HZ2 LYS 78 -7.773 -12.767 23.085 648 HZ3 LYS 78 HZ3 LYS 78 -6.924 -13.402 21.767 649 H GLY 79 H GLY 79 -4.886 -8.060 22.070 650 HA2 GLY 79 HA2 GLY 79 -7.544 -8.146 23.164 651 HA3 GLY 79 HA3 GLY 79 -6.108 -7.515 23.957 652 H LEU 80 H LEU 80 -5.663 -5.788 21.487 653 HA LEU 80 HA LEU 80 -7.027 -3.487 22.495 654 HB2 LEU 80 HB2 LEU 80 -5.028 -4.066 20.402 655 HB3 LEU 80 HB3 LEU 80 -6.024 -2.635 20.147 656 HG LEU 80 HG LEU 80 -4.198 -3.176 22.485 657 HD11 LEU 80 HD11 LEU 80 -3.891 -0.750 20.878 658 HD12 LEU 80 HD12 LEU 80 -3.560 -2.247 20.007 659 HD13 LEU 80 HD13 LEU 80 -2.676 -1.874 21.486 660 HD21 LEU 80 HD21 LEU 80 -4.953 -0.569 22.682 661 HD22 LEU 80 HD22 LEU 80 -5.645 -1.893 23.620 662 HD23 LEU 80 HD23 LEU 80 -6.452 -1.333 22.154 663 H LYS 81 H LYS 81 -7.546 -5.741 19.891 664 HA LYS 81 HA LYS 81 -9.213 -4.331 18.204 665 HB2 LYS 81 HB2 LYS 81 -8.891 -7.188 18.925 666 HB3 LYS 81 HB3 LYS 81 -10.390 -6.753 18.114 667 HG2 LYS 81 HG2 LYS 81 -8.252 -5.509 16.727 668 HG3 LYS 81 HG3 LYS 81 -7.833 -7.204 16.986 669 HD2 LYS 81 HD2 LYS 81 -9.005 -7.332 15.009 670 HD3 LYS 81 HD3 LYS 81 -10.290 -7.622 16.184 671 HE2 LYS 81 HE2 LYS 81 -10.144 -4.842 15.893 672 HE3 LYS 81 HE3 LYS 81 -10.006 -5.495 14.261 673 HZ1 LYS 81 HZ1 LYS 81 -12.007 -6.963 15.200 674 HZ2 LYS 81 HZ2 LYS 81 -12.238 -5.489 14.403 675 HZ3 LYS 81 HZ3 LYS 81 -12.259 -5.549 16.094 676 H VAL 82 H VAL 82 -10.243 -6.357 20.956 677 HA VAL 82 HA VAL 82 -12.955 -5.676 20.855 678 HB VAL 82 HB VAL 82 -11.529 -6.312 23.425 679 HG11 VAL 82 HG11 VAL 82 -14.234 -6.020 22.659 680 HG12 VAL 82 HG12 VAL 82 -13.963 -7.731 22.994 681 HG13 VAL 82 HG13 VAL 82 -13.590 -6.522 24.222 682 HG21 VAL 82 HG21 VAL 82 -11.994 -8.738 22.758 683 HG22 VAL 82 HG22 VAL 82 -12.120 -8.129 21.108 684 HG23 VAL 82 HG23 VAL 82 -10.614 -7.937 22.006 685 H MET 83 H MET 83 -10.401 -3.670 21.459 686 HA MET 83 HA MET 83 -11.957 -1.922 23.241 687 HB2 MET 83 HB2 MET 83 -9.572 -2.671 23.843 688 HB3 MET 83 HB3 MET 83 -9.043 -1.575 22.573 689 HG2 MET 83 HG2 MET 83 -8.877 -0.241 24.424 690 HG3 MET 83 HG3 MET 83 -10.490 0.167 23.846 691 HE1 MET 83 HE1 MET 83 -9.200 -2.860 26.672 692 HE2 MET 83 HE2 MET 83 -8.237 -1.485 26.131 693 HE3 MET 83 HE3 MET 83 -9.068 -1.423 27.686 694 H ASN 84 H ASN 84 -11.339 -2.380 20.046 695 HA ASN 84 HA ASN 84 -11.635 -1.115 18.179 696 HB2 ASN 84 HB2 ASN 84 -12.813 0.802 20.198 697 HB3 ASN 84 HB3 ASN 84 -12.858 1.070 18.458 698 HD21 ASN 84 HD21 ASN 84 -13.842 -0.703 17.169 699 HD22 ASN 84 HD22 ASN 84 -15.224 -1.499 17.832 700 H LEU 85 H LEU 85 -9.106 -1.095 19.379 701 HA LEU 85 HA LEU 85 -8.168 1.667 19.200 702 HB2 LEU 85 HB2 LEU 85 -7.240 -0.787 20.476 703 HB3 LEU 85 HB3 LEU 85 -5.956 0.098 19.654 704 HG LEU 85 HG LEU 85 -5.838 0.926 21.806 705 HD11 LEU 85 HD11 LEU 85 -6.196 3.149 21.545 706 HD12 LEU 85 HD12 LEU 85 -7.845 2.930 20.958 707 HD13 LEU 85 HD13 LEU 85 -6.480 2.646 19.878 708 HD21 LEU 85 HD21 LEU 85 -8.293 1.753 22.710 709 HD22 LEU 85 HD22 LEU 85 -7.477 0.259 23.171 710 HD23 LEU 85 HD23 LEU 85 -8.673 0.247 21.875 711 H LEU 86 H LEU 86 -9.095 0.160 16.848 712 HA LEU 86 HA LEU 86 -7.000 -0.787 15.270 713 HB2 LEU 86 HB2 LEU 86 -8.545 0.074 13.356 714 HB3 LEU 86 HB3 LEU 86 -9.056 -1.264 14.384 715 HG LEU 86 HG LEU 86 -10.520 0.195 15.629 716 HD11 LEU 86 HD11 LEU 86 -9.077 2.314 14.130 717 HD12 LEU 86 HD12 LEU 86 -9.611 2.277 15.810 718 HD13 LEU 86 HD13 LEU 86 -10.776 2.577 14.521 719 HD21 LEU 86 HD21 LEU 86 -12.157 0.131 14.094 720 HD22 LEU 86 HD22 LEU 86 -10.936 -0.639 13.081 721 HD23 LEU 86 HD23 LEU 86 -11.244 1.091 12.930 722 H GLU 87 H GLU 87 -7.636 2.366 16.346 723 HA GLU 87 HA GLU 87 -6.777 3.992 14.281 724 HB2 GLU 87 HB2 GLU 87 -7.679 4.963 16.280 725 HB3 GLU 87 HB3 GLU 87 -6.393 4.274 17.261 726 HG2 GLU 87 HG2 GLU 87 -6.195 6.722 16.782 727 HG3 GLU 87 HG3 GLU 87 -4.785 5.751 16.362 728 H LEU 88 H LEU 88 -4.614 3.547 17.037 729 HA LEU 88 HA LEU 88 -2.289 3.915 15.468 730 HB2 LEU 88 HB2 LEU 88 -1.107 3.780 17.429 731 HB3 LEU 88 HB3 LEU 88 -2.699 4.263 18.010 732 HG LEU 88 HG LEU 88 -1.824 2.608 19.494 733 HD11 LEU 88 HD11 LEU 88 -3.576 0.724 18.191 734 HD12 LEU 88 HD12 LEU 88 -4.244 2.354 18.145 735 HD13 LEU 88 HD13 LEU 88 -3.805 1.626 19.689 736 HD21 LEU 88 HD21 LEU 88 -0.580 0.858 18.885 737 HD22 LEU 88 HD22 LEU 88 -0.510 1.617 17.294 738 HD23 LEU 88 HD23 LEU 88 -1.717 0.375 17.627 739 H VAL 89 H VAL 89 -4.125 1.114 16.378 740 HA VAL 89 HA VAL 89 -2.156 -0.865 15.987 741 HB VAL 89 HB VAL 89 -5.154 -0.900 15.926 742 HG11 VAL 89 HG11 VAL 89 -4.835 -3.461 15.793 743 HG12 VAL 89 HG12 VAL 89 -4.791 -2.520 14.301 744 HG13 VAL 89 HG13 VAL 89 -3.288 -3.069 15.044 745 HG21 VAL 89 HG21 VAL 89 -3.058 -1.411 17.846 746 HG22 VAL 89 HG22 VAL 89 -4.791 -1.209 18.102 747 HG23 VAL 89 HG23 VAL 89 -4.139 -2.796 17.694 748 H ASP 90 H ASP 90 -4.095 0.979 13.779 749 HA ASP 90 HA ASP 90 -4.281 -0.499 11.520 750 HB2 ASP 90 HB2 ASP 90 -5.070 1.763 11.525 751 HB3 ASP 90 HB3 ASP 90 -3.445 2.391 11.784 752 H GLN 91 H GLN 91 -1.386 1.380 12.417 753 HA GLN 91 HA GLN 91 0.171 0.185 10.312 754 HB2 GLN 91 HB2 GLN 91 1.170 1.831 12.637 755 HB3 GLN 91 HB3 GLN 91 1.981 1.551 11.102 756 HG2 GLN 91 HG2 GLN 91 1.029 3.346 10.243 757 HG3 GLN 91 HG3 GLN 91 -0.571 2.684 10.575 758 HE21 GLN 91 HE21 GLN 91 -1.701 3.375 12.352 759 HE22 GLN 91 HE22 GLN 91 -1.208 4.718 13.320 760 H LEU 92 H LEU 92 0.543 0.215 13.863 761 HA LEU 92 HA LEU 92 2.513 -1.512 14.318 762 HB2 LEU 92 HB2 LEU 92 1.324 -0.661 16.169 763 HB3 LEU 92 HB3 LEU 92 -0.180 -1.415 15.644 764 HG LEU 92 HG LEU 92 1.062 -2.409 17.665 765 HD11 LEU 92 HD11 LEU 92 -0.720 -3.433 15.922 766 HD12 LEU 92 HD12 LEU 92 -0.103 -4.304 17.325 767 HD13 LEU 92 HD13 LEU 92 0.604 -4.582 15.734 768 HD21 LEU 92 HD21 LEU 92 3.213 -2.427 16.087 769 HD22 LEU 92 HD22 LEU 92 2.590 -4.036 15.719 770 HD23 LEU 92 HD23 LEU 92 2.973 -3.597 17.385 771 H SER 93 H SER 93 -0.808 -2.602 13.627 772 HA SER 93 HA SER 93 -0.218 -5.350 13.584 773 HB2 SER 93 HB2 SER 93 -2.469 -3.642 12.653 774 HB3 SER 93 HB3 SER 93 -2.360 -5.267 11.976 775 HG SER 93 HG SER 93 -2.237 -6.010 14.198 776 H HIS 94 H HIS 94 -0.447 -2.974 10.954 777 HA HIS 94 HA HIS 94 0.195 -4.826 8.894 778 HB2 HIS 94 HB2 HIS 94 -0.883 -2.384 8.848 779 HB3 HIS 94 HB3 HIS 94 0.790 -1.930 8.537 780 HD1 HIS 94 HD1 HIS 94 1.836 -3.734 6.537 781 HD2 HIS 94 HD2 HIS 94 -2.181 -2.671 6.510 782 HE1 HIS 94 HE1 HIS 94 1.042 -4.166 4.190 783 H ILE 95 H ILE 95 2.050 -3.729 11.363 784 HA ILE 95 HA ILE 95 4.529 -3.739 9.777 785 HB ILE 95 HB ILE 95 4.022 -2.695 12.564 786 HG12 ILE 95 HG12 ILE 95 4.870 -1.200 10.079 787 HG13 ILE 95 HG13 ILE 95 3.194 -1.338 10.600 788 HG21 ILE 95 HG21 ILE 95 6.210 -3.540 12.626 789 HG22 ILE 95 HG22 ILE 95 6.557 -2.999 10.985 790 HG23 ILE 95 HG23 ILE 95 6.401 -1.820 12.287 791 HD11 ILE 95 HD11 ILE 95 5.239 0.470 11.479 792 HD12 ILE 95 HD12 ILE 95 3.507 0.483 11.811 793 HD13 ILE 95 HD13 ILE 95 4.595 -0.447 12.840 794 H CYS 96 H CYS 96 2.737 -5.411 12.212 795 HA CYS 96 HA CYS 96 5.014 -7.220 12.671 796 HB2 CYS 96 HB2 CYS 96 3.022 -6.077 14.448 797 HB3 CYS 96 HB3 CYS 96 3.048 -7.833 14.554 798 HG CYS 96 HG CYS 96 4.926 -7.787 16.298 799 H LEU 97 H LEU 97 2.795 -7.091 10.531 800 HA LEU 97 HA LEU 97 1.684 -8.604 9.246 801 HB2 LEU 97 HB2 LEU 97 3.680 -10.121 10.629 802 HB3 LEU 97 HB3 LEU 97 2.213 -11.085 10.474 803 HG LEU 97 HG LEU 97 3.725 -11.548 8.642 804 HD11 LEU 97 HD11 LEU 97 1.044 -10.633 8.362 805 HD12 LEU 97 HD12 LEU 97 1.901 -11.859 7.428 806 HD13 LEU 97 HD13 LEU 97 1.956 -10.169 6.925 807 HD21 LEU 97 HD21 LEU 97 3.870 -8.605 8.533 808 HD22 LEU 97 HD22 LEU 97 3.825 -9.435 6.977 809 HD23 LEU 97 HD23 LEU 97 5.088 -9.820 8.147 810 H HIS 98 H HIS 98 -0.385 -9.293 9.226 811 HA HIS 98 HA HIS 98 -1.807 -9.323 11.754 812 HB2 HIS 98 HB2 HIS 98 -3.084 -9.807 9.079 813 HB3 HIS 98 HB3 HIS 98 -3.773 -9.053 10.513 814 HD1 HIS 98 HD1 HIS 98 -1.432 -8.327 7.653 815 HD2 HIS 98 HD2 HIS 98 -3.439 -6.320 10.687 816 HE1 HIS 98 HE1 HIS 98 -1.149 -5.881 7.142 817 H ASP 99 H ASP 99 -0.816 -11.556 9.259 818 HA ASP 99 HA ASP 99 -2.485 -13.715 9.807 819 HB2 ASP 99 HB2 ASP 99 0.415 -13.788 8.945 820 HB3 ASP 99 HB3 ASP 99 -0.733 -15.116 8.801 821 H TYR 100 H TYR 100 0.153 -12.421 11.619 822 HA TYR 100 HA TYR 100 0.739 -14.754 13.147 823 HB2 TYR 100 HB2 TYR 100 1.445 -11.862 13.302 824 HB3 TYR 100 HB3 TYR 100 1.659 -12.841 14.749 825 HD1 TYR 100 HD2 TYR 100 2.652 -15.359 13.840 826 HD2 TYR 100 HD1 TYR 100 3.491 -11.477 12.312 827 HE1 TYR 100 HE2 TYR 100 4.807 -16.171 12.975 828 HE2 TYR 100 HE1 TYR 100 5.648 -12.279 11.442 829 HH TYR 100 HH TYR 100 6.851 -15.483 12.186 830 H ARG 101 H ARG 101 -1.835 -12.556 13.169 831 HA ARG 101 HA ARG 101 -2.567 -13.327 15.916 832 HB2 ARG 101 HB2 ARG 101 -2.332 -10.929 15.711 833 HB3 ARG 101 HB3 ARG 101 -3.375 -10.909 14.296 834 HG2 ARG 101 HG2 ARG 101 -4.965 -12.091 16.187 835 HG3 ARG 101 HG3 ARG 101 -4.056 -10.905 17.126 836 HD2 ARG 101 HD2 ARG 101 -6.131 -10.519 15.091 837 HD3 ARG 101 HD3 ARG 101 -5.652 -9.482 16.435 838 HE ARG 101 HE ARG 101 -3.616 -9.100 14.784 839 HH11 ARG 101 HH11 ARG 101 -7.034 -9.208 14.129 840 HH12 ARG 101 HH12 ARG 101 -6.944 -8.115 12.788 841 HH21 ARG 101 HH21 ARG 101 -3.485 -7.660 13.021 842 HH22 ARG 101 HH22 ARG 101 -4.924 -7.236 12.158 843 H GLU 102 H GLU 102 -3.398 -15.344 15.089 844 HA GLU 102 HA GLU 102 -5.791 -15.148 13.418 845 HB2 GLU 102 HB2 GLU 102 -5.594 -17.473 13.038 846 HB3 GLU 102 HB3 GLU 102 -3.955 -16.842 12.965 847 HG2 GLU 102 HG2 GLU 102 -4.118 -17.496 15.579 848 HG3 GLU 102 HG3 GLU 102 -5.184 -18.708 14.870 Start of MODEL 8 1 H1 GLY 1 H GLY 1 8.711 13.971 10.313 2 HA2 GLY 1 HA2 GLY 1 5.783 13.722 10.350 3 HA3 GLY 1 HA3 GLY 1 6.549 14.522 8.986 4 H ALA 2 H ALA 2 5.806 12.993 7.506 5 HA ALA 2 HA ALA 2 5.990 11.146 6.187 6 HB1 ALA 2 HB1 ALA 2 8.124 10.648 5.854 7 HB2 ALA 2 HB2 ALA 2 8.543 11.468 7.359 8 HB3 ALA 2 HB3 ALA 2 8.170 9.744 7.368 9 H MET 3 H MET 3 4.422 9.700 6.422 10 HA MET 3 HA MET 3 4.406 8.025 8.846 11 HB2 MET 3 HB2 MET 3 2.046 7.919 8.748 12 HB3 MET 3 HB3 MET 3 2.452 9.608 8.477 13 HG2 MET 3 HG2 MET 3 2.145 9.307 6.080 14 HG3 MET 3 HG3 MET 3 1.761 7.607 6.339 15 HE1 MET 3 HE1 MET 3 -1.090 7.082 7.877 16 HE2 MET 3 HE2 MET 3 -1.668 7.479 6.258 17 HE3 MET 3 HE3 MET 3 -0.093 6.712 6.470 18 H ALA 4 H ALA 4 5.438 7.863 5.843 19 HA ALA 4 HA ALA 4 4.845 5.009 5.624 20 HB1 ALA 4 HB1 ALA 4 3.309 5.500 4.047 21 HB2 ALA 4 HB2 ALA 4 4.006 7.084 3.704 22 HB3 ALA 4 HB3 ALA 4 4.731 5.633 3.012 23 H MET 5 H MET 5 7.084 5.050 6.458 24 HA MET 5 HA MET 5 8.998 5.320 4.239 25 HB2 MET 5 HB2 MET 5 9.086 7.073 6.193 26 HB3 MET 5 HB3 MET 5 9.875 5.766 7.065 27 HG2 MET 5 HG2 MET 5 11.738 6.648 6.198 28 HG3 MET 5 HG3 MET 5 11.279 5.723 4.770 29 HE1 MET 5 HE1 MET 5 12.426 8.554 6.227 30 HE2 MET 5 HE2 MET 5 12.716 9.554 4.804 31 HE3 MET 5 HE3 MET 5 11.363 9.918 5.877 32 H ALA 6 H ALA 6 8.081 2.966 4.258 33 HA ALA 6 HA ALA 6 8.297 0.739 4.810 34 HB1 ALA 6 HB1 ALA 6 10.401 1.603 3.476 35 HB2 ALA 6 HB2 ALA 6 11.234 1.176 4.971 36 HB3 ALA 6 HB3 ALA 6 10.319 -0.048 4.091 37 H LYS 7 H LYS 7 10.529 -0.463 6.212 38 HA LYS 7 HA LYS 7 9.613 0.047 8.940 39 HB2 LYS 7 HB2 LYS 7 9.655 -2.279 7.959 40 HB3 LYS 7 HB3 LYS 7 11.411 -2.178 7.973 41 HG2 LYS 7 HG2 LYS 7 10.327 -1.484 10.549 42 HG3 LYS 7 HG3 LYS 7 9.752 -3.067 10.023 43 HD2 LYS 7 HD2 LYS 7 12.189 -3.578 9.464 44 HD3 LYS 7 HD3 LYS 7 12.586 -2.134 10.398 45 HE2 LYS 7 HE2 LYS 7 11.742 -3.059 12.385 46 HE3 LYS 7 HE3 LYS 7 10.872 -4.327 11.525 47 HZ1 LYS 7 HZ1 LYS 7 13.583 -4.560 10.896 48 HZ2 LYS 7 HZ2 LYS 7 12.621 -5.636 11.776 49 HZ3 LYS 7 HZ3 LYS 7 13.467 -4.409 12.577 50 H ALA 8 H ALA 8 12.787 -1.014 7.752 51 HA ALA 8 HA ALA 8 14.838 -0.556 8.780 52 HB1 ALA 8 HB1 ALA 8 13.835 1.636 7.096 53 HB2 ALA 8 HB2 ALA 8 15.217 2.037 8.118 54 HB3 ALA 8 HB3 ALA 8 15.324 0.697 6.976 55 H ARG 9 H ARG 9 13.892 -0.777 11.006 56 HA ARG 9 HA ARG 9 14.711 1.435 12.600 57 HB2 ARG 9 HB2 ARG 9 11.849 1.103 11.989 58 HB3 ARG 9 HB3 ARG 9 12.220 1.272 13.699 59 HG2 ARG 9 HG2 ARG 9 13.722 3.246 12.413 60 HG3 ARG 9 HG3 ARG 9 12.134 3.271 11.642 61 HD2 ARG 9 HD2 ARG 9 11.334 3.117 14.170 62 HD3 ARG 9 HD3 ARG 9 12.903 3.873 14.446 63 HE ARG 9 HE ARG 9 11.770 5.368 12.466 64 HH11 ARG 9 HH11 ARG 9 10.813 4.406 15.672 65 HH12 ARG 9 HH12 ARG 9 9.871 5.832 15.960 66 HH21 ARG 9 HH21 ARG 9 10.533 7.249 12.833 67 HH22 ARG 9 HH22 ARG 9 9.712 7.447 14.344 68 H LYS 10 H LYS 10 13.846 0.954 15.008 69 HA LYS 10 HA LYS 10 14.740 -1.762 15.545 70 HB2 LYS 10 HB2 LYS 10 14.029 0.298 17.621 71 HB3 LYS 10 HB3 LYS 10 15.134 -1.063 17.763 72 HG2 LYS 10 HG2 LYS 10 16.405 0.246 15.844 73 HG3 LYS 10 HG3 LYS 10 15.560 1.616 16.568 74 HD2 LYS 10 HD2 LYS 10 16.809 1.554 18.445 75 HD3 LYS 10 HD3 LYS 10 16.851 -0.210 18.480 76 HE2 LYS 10 HE2 LYS 10 18.436 1.431 16.517 77 HE3 LYS 10 HE3 LYS 10 19.063 0.958 18.095 78 HZ1 LYS 10 HZ1 LYS 10 17.983 -1.293 16.781 79 HZ2 LYS 10 HZ2 LYS 10 19.572 -1.028 17.297 80 HZ3 LYS 10 HZ3 LYS 10 19.090 -0.527 15.755 81 HA PRO 11 HA PRO 11 10.463 -3.024 15.933 82 HB2 PRO 11 HB2 PRO 11 11.018 -5.645 16.369 83 HB3 PRO 11 HB3 PRO 11 11.060 -4.909 14.762 84 HG2 PRO 11 HG2 PRO 11 13.321 -5.511 16.629 85 HG3 PRO 11 HG3 PRO 11 13.222 -5.756 14.876 86 HD2 PRO 11 HD2 PRO 11 14.513 -3.648 15.982 87 HD3 PRO 11 HD3 PRO 11 13.686 -3.546 14.414 88 H ARG 12 H ARG 12 12.919 -4.423 18.118 89 HA ARG 12 HA ARG 12 11.223 -5.031 20.234 90 HB2 ARG 12 HB2 ARG 12 13.289 -4.884 21.655 91 HB3 ARG 12 HB3 ARG 12 13.448 -5.901 20.229 92 HG2 ARG 12 HG2 ARG 12 14.535 -3.970 19.074 93 HG3 ARG 12 HG3 ARG 12 14.527 -3.122 20.621 94 HD2 ARG 12 HD2 ARG 12 15.646 -5.431 21.391 95 HD3 ARG 12 HD3 ARG 12 16.170 -5.407 19.708 96 HE ARG 12 HE ARG 12 17.104 -3.725 21.832 97 HH11 ARG 12 HH11 ARG 12 16.634 -3.960 18.390 98 HH12 ARG 12 HH12 ARG 12 17.875 -2.812 18.011 99 HH21 ARG 12 HH21 ARG 12 18.740 -2.212 21.345 100 HH22 ARG 12 HH22 ARG 12 19.073 -1.819 19.692 101 H GLU 13 H GLU 13 13.085 -2.063 19.639 102 HA GLU 13 HA GLU 13 12.128 -0.744 21.983 103 HB2 GLU 13 HB2 GLU 13 13.707 0.061 19.579 104 HB3 GLU 13 HB3 GLU 13 13.000 1.319 20.583 105 HG2 GLU 13 HG2 GLU 13 14.146 0.267 22.545 106 HG3 GLU 13 HG3 GLU 13 14.988 -0.780 21.404 107 H ALA 14 H ALA 14 10.883 -1.239 18.826 108 HA ALA 14 HA ALA 14 9.211 1.046 18.640 109 HB1 ALA 14 HB1 ALA 14 7.951 -0.860 17.132 110 HB2 ALA 14 HB2 ALA 14 9.248 0.197 16.573 111 HB3 ALA 14 HB3 ALA 14 9.620 -1.428 17.148 112 H LEU 15 H LEU 15 8.808 -2.155 20.035 113 HA LEU 15 HA LEU 15 5.998 -1.830 20.535 114 HB2 LEU 15 HB2 LEU 15 6.050 -3.956 21.467 115 HB3 LEU 15 HB3 LEU 15 7.288 -4.014 20.214 116 HG LEU 15 HG LEU 15 8.733 -3.308 22.434 117 HD11 LEU 15 HD11 LEU 15 7.538 -5.545 23.699 118 HD12 LEU 15 HD12 LEU 15 6.273 -4.357 23.382 119 HD13 LEU 15 HD13 LEU 15 7.704 -3.896 24.304 120 HD21 LEU 15 HD21 LEU 15 9.773 -5.354 22.158 121 HD22 LEU 15 HD22 LEU 15 9.015 -5.107 20.584 122 HD23 LEU 15 HD23 LEU 15 8.267 -6.184 21.764 123 H LEU 16 H LEU 16 8.974 -1.339 22.322 124 HA LEU 16 HA LEU 16 7.825 -1.050 24.888 125 HB2 LEU 16 HB2 LEU 16 10.355 0.186 23.812 126 HB3 LEU 16 HB3 LEU 16 9.927 0.001 25.512 127 HG LEU 16 HG LEU 16 10.305 -2.346 23.666 128 HD11 LEU 16 HD11 LEU 16 12.481 -2.106 25.440 129 HD12 LEU 16 HD12 LEU 16 12.294 -0.547 24.638 130 HD13 LEU 16 HD13 LEU 16 12.494 -2.013 23.679 131 HD21 LEU 16 HD21 LEU 16 10.125 -1.985 26.646 132 HD22 LEU 16 HD22 LEU 16 10.768 -3.448 25.899 133 HD23 LEU 16 HD23 LEU 16 9.099 -2.964 25.597 134 H TRP 17 H TRP 17 8.444 1.214 22.263 135 HA TRP 17 HA TRP 17 7.739 3.540 23.770 136 HB2 TRP 17 HB2 TRP 17 9.140 3.272 21.541 137 HB3 TRP 17 HB3 TRP 17 7.563 3.490 20.787 138 HD1 TRP 17 HD1 TRP 17 6.514 5.904 20.817 139 HE1 TRP 17 HE1 TRP 17 7.427 8.215 21.487 140 HE3 TRP 17 HE3 TRP 17 10.751 4.424 23.266 141 HZ2 TRP 17 HZ2 TRP 17 9.650 9.271 22.870 142 HZ3 TRP 17 HZ3 TRP 17 12.217 6.148 24.233 143 HH2 TRP 17 HH2 TRP 17 11.677 8.520 24.038 144 H ALA 18 H ALA 18 6.025 1.276 21.722 145 HA ALA 18 HA ALA 18 3.646 2.844 21.485 146 HB1 ALA 18 HB1 ALA 18 3.508 -0.102 21.199 147 HB2 ALA 18 HB2 ALA 18 2.848 1.172 20.172 148 HB3 ALA 18 HB3 ALA 18 4.564 0.773 20.089 149 H LEU 19 H LEU 19 4.208 -0.245 23.187 150 HA LEU 19 HA LEU 19 1.890 -0.363 24.641 151 HB2 LEU 19 HB2 LEU 19 3.005 -1.827 26.153 152 HB3 LEU 19 HB3 LEU 19 3.653 -2.108 24.539 153 HG LEU 19 HG LEU 19 5.531 -0.461 25.340 154 HD11 LEU 19 HD11 LEU 19 4.048 -1.083 27.797 155 HD12 LEU 19 HD12 LEU 19 5.127 0.262 27.427 156 HD13 LEU 19 HD13 LEU 19 5.795 -1.300 27.900 157 HD21 LEU 19 HD21 LEU 19 6.272 -2.551 24.759 158 HD22 LEU 19 HD22 LEU 19 5.164 -3.372 25.859 159 HD23 LEU 19 HD23 LEU 19 6.600 -2.566 26.492 160 H SER 20 H SER 20 4.672 1.662 25.193 161 HA SER 20 HA SER 20 3.706 2.519 27.800 162 HB2 SER 20 HB2 SER 20 6.160 2.178 27.295 163 HB3 SER 20 HB3 SER 20 6.072 3.602 26.259 164 HG SER 20 HG SER 20 6.349 3.480 28.917 165 H ASP 21 H ASP 21 3.453 3.442 24.523 166 HA ASP 21 HA ASP 21 3.061 6.236 24.876 167 HB2 ASP 21 HB2 ASP 21 3.089 4.376 22.699 168 HB3 ASP 21 HB3 ASP 21 1.629 5.355 22.589 169 H LEU 22 H LEU 22 1.088 3.481 25.410 170 HA LEU 22 HA LEU 22 -1.360 5.090 25.441 171 HB2 LEU 22 HB2 LEU 22 -2.334 2.726 25.982 172 HB3 LEU 22 HB3 LEU 22 -1.888 3.163 24.334 173 HG LEU 22 HG LEU 22 0.278 1.888 25.825 174 HD11 LEU 22 HD11 LEU 22 -2.186 0.268 25.202 175 HD12 LEU 22 HD12 LEU 22 -1.657 0.723 26.821 176 HD13 LEU 22 HD13 LEU 22 -0.653 -0.336 25.831 177 HD21 LEU 22 HD21 LEU 22 -0.967 0.895 23.298 178 HD22 LEU 22 HD22 LEU 22 0.727 0.903 23.789 179 HD23 LEU 22 HD23 LEU 22 -0.055 2.405 23.293 180 H GLU 23 H GLU 23 -2.807 4.950 27.275 181 HA GLU 23 HA GLU 23 -1.443 5.313 29.743 182 HB2 GLU 23 HB2 GLU 23 -4.367 5.172 29.022 183 HB3 GLU 23 HB3 GLU 23 -3.812 5.434 30.669 184 HG2 GLU 23 HG2 GLU 23 -2.711 7.478 30.018 185 HG3 GLU 23 HG3 GLU 23 -3.129 7.198 28.329 186 H GLU 24 H GLU 24 -1.816 4.135 31.722 187 HA GLU 24 HA GLU 24 -1.446 1.362 31.442 188 HB2 GLU 24 HB2 GLU 24 -1.364 1.265 33.804 189 HB3 GLU 24 HB3 GLU 24 -0.698 2.833 33.369 190 HG2 GLU 24 HG2 GLU 24 -3.519 2.346 34.298 191 HG3 GLU 24 HG3 GLU 24 -2.200 2.940 35.305 192 H ASN 25 H ASN 25 -4.295 3.310 32.019 193 HA ASN 25 HA ASN 25 -5.996 1.132 32.743 194 HB2 ASN 25 HB2 ASN 25 -6.214 3.815 32.992 195 HB3 ASN 25 HB3 ASN 25 -7.212 3.561 31.564 196 HD21 ASN 25 HD21 ASN 25 -9.094 4.112 32.632 197 HD22 ASN 25 HD22 ASN 25 -9.828 3.082 33.809 198 H ASP 26 H ASP 26 -4.483 1.684 29.940 199 HA ASP 26 HA ASP 26 -6.734 0.763 28.280 200 HB2 ASP 26 HB2 ASP 26 -4.180 2.188 27.514 201 HB3 ASP 26 HB3 ASP 26 -5.315 1.517 26.346 202 H PHE 27 H PHE 27 -3.200 0.370 28.572 203 HA PHE 27 HA PHE 27 -3.033 -1.979 27.050 204 HB2 PHE 27 HB2 PHE 27 -0.844 -1.667 27.387 205 HB3 PHE 27 HB3 PHE 27 -1.248 -0.318 28.444 206 HD1 PHE 27 HD1 PHE 27 -1.283 -0.599 30.863 207 HD2 PHE 27 HD2 PHE 27 -0.163 -3.788 28.275 208 HE1 PHE 27 HE1 PHE 27 -0.308 -1.803 32.774 209 HE2 PHE 27 HE2 PHE 27 0.814 -4.997 30.183 210 HZ PHE 27 HZ PHE 27 0.742 -4.005 32.436 211 H LYS 28 H LYS 28 -3.659 -1.449 30.466 212 HA LYS 28 HA LYS 28 -3.397 -4.141 31.297 213 HB2 LYS 28 HB2 LYS 28 -3.323 -2.368 32.928 214 HB3 LYS 28 HB3 LYS 28 -4.934 -1.824 32.479 215 HG2 LYS 28 HG2 LYS 28 -5.967 -3.635 33.511 216 HG3 LYS 28 HG3 LYS 28 -4.480 -4.584 33.546 217 HD2 LYS 28 HD2 LYS 28 -4.658 -3.904 35.746 218 HD3 LYS 28 HD3 LYS 28 -3.610 -2.656 35.068 219 HE2 LYS 28 HE2 LYS 28 -5.672 -1.273 34.693 220 HE3 LYS 28 HE3 LYS 28 -6.567 -2.479 35.615 221 HZ1 LYS 28 HZ1 LYS 28 -5.773 -0.494 36.897 222 HZ2 LYS 28 HZ2 LYS 28 -4.196 -1.070 36.695 223 HZ3 LYS 28 HZ3 LYS 28 -5.330 -1.993 37.545 224 H LYS 29 H LYS 29 -6.181 -2.211 30.258 225 HA LYS 29 HA LYS 29 -8.212 -4.031 30.751 226 HB2 LYS 29 HB2 LYS 29 -7.879 -1.615 29.234 227 HB3 LYS 29 HB3 LYS 29 -8.824 -2.765 28.297 228 HG2 LYS 29 HG2 LYS 29 -10.355 -1.457 29.533 229 HG3 LYS 29 HG3 LYS 29 -10.299 -3.041 30.309 230 HD2 LYS 29 HD2 LYS 29 -9.550 -2.175 32.227 231 HD3 LYS 29 HD3 LYS 29 -8.327 -1.208 31.400 232 HE2 LYS 29 HE2 LYS 29 -9.818 0.276 32.545 233 HE3 LYS 29 HE3 LYS 29 -10.108 0.426 30.813 234 HZ1 LYS 29 HZ1 LYS 29 -11.839 -0.631 32.900 235 HZ2 LYS 29 HZ2 LYS 29 -11.880 -1.442 31.416 236 HZ3 LYS 29 HZ3 LYS 29 -12.236 0.211 31.487 237 H LEU 30 H LEU 30 -6.112 -3.745 27.910 238 HA LEU 30 HA LEU 30 -7.360 -5.857 26.465 239 HB2 LEU 30 HB2 LEU 30 -4.546 -5.330 25.860 240 HB3 LEU 30 HB3 LEU 30 -5.957 -5.308 24.805 241 HG LEU 30 HG LEU 30 -5.035 -3.071 26.608 242 HD11 LEU 30 HD11 LEU 30 -3.735 -2.512 24.900 243 HD12 LEU 30 HD12 LEU 30 -5.190 -2.256 23.938 244 HD13 LEU 30 HD13 LEU 30 -4.379 -3.822 23.912 245 HD21 LEU 30 HD21 LEU 30 -6.860 -1.936 25.023 246 HD22 LEU 30 HD22 LEU 30 -7.257 -2.628 26.596 247 HD23 LEU 30 HD23 LEU 30 -7.548 -3.557 25.124 248 H LYS 31 H LYS 31 -4.280 -5.658 28.246 249 HA LYS 31 HA LYS 31 -3.508 -8.319 27.939 250 HB2 LYS 31 HB2 LYS 31 -2.959 -6.396 30.205 251 HB3 LYS 31 HB3 LYS 31 -2.143 -7.941 30.002 252 HG2 LYS 31 HG2 LYS 31 -2.087 -5.689 28.003 253 HG3 LYS 31 HG3 LYS 31 -0.821 -6.032 29.185 254 HD2 LYS 31 HD2 LYS 31 -0.376 -8.165 28.178 255 HD3 LYS 31 HD3 LYS 31 -1.768 -8.000 27.104 256 HE2 LYS 31 HE2 LYS 31 0.406 -5.949 27.058 257 HE3 LYS 31 HE3 LYS 31 0.632 -7.486 26.224 258 HZ1 LYS 31 HZ1 LYS 31 -0.474 -6.600 24.538 259 HZ2 LYS 31 HZ2 LYS 31 -0.895 -5.228 25.433 260 HZ3 LYS 31 HZ3 LYS 31 -1.871 -6.608 25.492 261 H PHE 32 H PHE 32 -5.877 -6.882 30.024 262 HA PHE 32 HA PHE 32 -6.056 -8.947 31.947 263 HB2 PHE 32 HB2 PHE 32 -7.012 -6.805 32.452 264 HB3 PHE 32 HB3 PHE 32 -8.052 -6.872 31.033 265 HD1 PHE 32 HD2 PHE 32 -7.481 -8.219 34.404 266 HD2 PHE 32 HD1 PHE 32 -10.112 -8.066 31.062 267 HE1 PHE 32 HE2 PHE 32 -9.263 -9.231 35.765 268 HE2 PHE 32 HE1 PHE 32 -11.899 -9.077 32.418 269 HZ PHE 32 HZ PHE 32 -11.475 -9.663 34.772 270 H TYR 33 H TYR 33 -7.891 -8.300 28.975 271 HA TYR 33 HA TYR 33 -9.206 -10.899 29.215 272 HB2 TYR 33 HB2 TYR 33 -10.176 -8.488 28.408 273 HB3 TYR 33 HB3 TYR 33 -9.780 -9.220 26.857 274 HD1 TYR 33 HD2 TYR 33 -11.383 -10.292 30.068 275 HD2 TYR 33 HD1 TYR 33 -11.517 -10.307 25.815 276 HE1 TYR 33 HE2 TYR 33 -13.480 -11.574 30.144 277 HE2 TYR 33 HE1 TYR 33 -13.615 -11.588 25.880 278 HH TYR 33 HH TYR 33 -15.058 -12.595 28.967 279 H LEU 34 H LEU 34 -7.445 -9.054 26.721 280 HA LEU 34 HA LEU 34 -7.156 -11.061 24.846 281 HB2 LEU 34 HB2 LEU 34 -6.177 -8.474 25.225 282 HB3 LEU 34 HB3 LEU 34 -4.745 -9.484 25.035 283 HG LEU 34 HG LEU 34 -6.986 -9.058 23.071 284 HD11 LEU 34 HD11 LEU 34 -4.983 -7.463 23.321 285 HD12 LEU 34 HD12 LEU 34 -5.390 -8.056 21.711 286 HD13 LEU 34 HD13 LEU 34 -4.043 -8.769 22.598 287 HD21 LEU 34 HD21 LEU 34 -4.874 -11.188 23.164 288 HD22 LEU 34 HD22 LEU 34 -5.569 -10.639 21.638 289 HD23 LEU 34 HD23 LEU 34 -6.606 -11.356 22.872 290 H ARG 35 H ARG 35 -4.756 -10.146 27.326 291 HA ARG 35 HA ARG 35 -3.023 -12.306 26.837 292 HB2 ARG 35 HB2 ARG 35 -2.950 -10.053 28.406 293 HB3 ARG 35 HB3 ARG 35 -3.064 -11.335 29.604 294 HG2 ARG 35 HG2 ARG 35 -1.125 -11.967 27.557 295 HG3 ARG 35 HG3 ARG 35 -0.770 -10.429 28.346 296 HD2 ARG 35 HD2 ARG 35 -1.122 -13.128 29.635 297 HD3 ARG 35 HD3 ARG 35 0.341 -12.147 29.573 298 HE ARG 35 HE ARG 35 -0.995 -10.512 30.975 299 HH11 ARG 35 HH11 ARG 35 -1.522 -13.953 31.049 300 HH12 ARG 35 HH12 ARG 35 -2.125 -13.957 32.673 301 HH21 ARG 35 HH21 ARG 35 -1.787 -10.505 33.114 302 HH22 ARG 35 HH22 ARG 35 -2.276 -11.996 33.847 303 H ASP 36 H ASP 36 -5.742 -11.916 29.050 304 HA ASP 36 HA ASP 36 -5.492 -14.100 30.678 305 HB2 ASP 36 HB2 ASP 36 -7.360 -12.935 31.260 306 HB3 ASP 36 HB3 ASP 36 -7.788 -12.580 29.589 307 H MET 37 H MET 37 -6.952 -14.048 27.434 308 HA MET 37 HA MET 37 -7.184 -16.944 27.439 309 HB2 MET 37 HB2 MET 37 -8.304 -14.729 25.890 310 HB3 MET 37 HB3 MET 37 -7.838 -16.103 24.896 311 HG2 MET 37 HG2 MET 37 -9.218 -17.572 26.267 312 HG3 MET 37 HG3 MET 37 -9.677 -16.202 27.276 313 HE1 MET 37 HE1 MET 37 -11.605 -18.361 25.279 314 HE2 MET 37 HE2 MET 37 -12.026 -17.421 26.711 315 HE3 MET 37 HE3 MET 37 -12.904 -17.171 25.201 316 H THR 38 H THR 38 -5.859 -14.632 25.067 317 HA THR 38 HA THR 38 -4.364 -16.315 23.545 318 HB THR 38 HB THR 38 -2.880 -14.455 23.014 319 HG1 THR 38 HG1 THR 38 -3.540 -12.432 24.339 320 HG21 THR 38 HG21 THR 38 -5.355 -14.530 22.295 321 HG22 THR 38 HG22 THR 38 -4.479 -13.011 22.106 322 HG23 THR 38 HG23 THR 38 -5.583 -13.229 23.463 323 H LEU 39 H LEU 39 -3.032 -14.534 26.339 324 HA LEU 39 HA LEU 39 -0.767 -16.356 26.424 325 HB2 LEU 39 HB2 LEU 39 -1.460 -13.802 27.832 326 HB3 LEU 39 HB3 LEU 39 -0.133 -14.819 28.391 327 HG LEU 39 HG LEU 39 0.730 -13.024 27.034 328 HD11 LEU 39 HD11 LEU 39 2.262 -14.444 26.302 329 HD12 LEU 39 HD12 LEU 39 1.205 -14.920 24.974 330 HD13 LEU 39 HD13 LEU 39 1.129 -15.779 26.512 331 HD21 LEU 39 HD21 LEU 39 -0.905 -14.074 24.736 332 HD22 LEU 39 HD22 LEU 39 0.077 -12.610 24.794 333 HD23 LEU 39 HD23 LEU 39 -1.409 -12.714 25.739 334 H SER 40 H SER 40 -0.073 -16.747 28.901 335 HA SER 40 HA SER 40 -2.396 -17.694 30.414 336 HB2 SER 40 HB2 SER 40 -1.247 -19.503 28.903 337 HB3 SER 40 HB3 SER 40 -0.011 -19.495 30.161 338 HG SER 40 HG SER 40 -1.676 -19.963 31.671 339 H GLU 41 H GLU 41 -2.102 -16.224 32.039 340 HA GLU 41 HA GLU 41 -1.163 -15.181 33.839 341 HB2 GLU 41 HB2 GLU 41 -0.789 -18.015 34.096 342 HB3 GLU 41 HB3 GLU 41 0.570 -17.180 34.835 343 HG2 GLU 41 HG2 GLU 41 -0.867 -17.319 36.603 344 HG3 GLU 41 HG3 GLU 41 -1.295 -15.738 35.952 345 H GLY 42 H GLY 42 1.281 -15.372 35.103 346 HA2 GLY 42 HA2 GLY 42 3.666 -15.363 34.478 347 HA3 GLY 42 HA3 GLY 42 3.176 -14.623 32.961 348 H GLN 43 H GLN 43 1.189 -13.195 35.039 349 HA GLN 43 HA GLN 43 3.067 -11.263 36.142 350 HB2 GLN 43 HB2 GLN 43 1.312 -9.502 35.107 351 HB3 GLN 43 HB3 GLN 43 2.808 -9.962 34.306 352 HG2 GLN 43 HG2 GLN 43 0.435 -11.635 33.761 353 HG3 GLN 43 HG3 GLN 43 0.435 -10.001 33.098 354 HE21 GLN 43 HE21 GLN 43 0.848 -12.912 32.091 355 HE22 GLN 43 HE22 GLN 43 2.186 -12.752 31.012 356 HA PRO 44 HA PRO 44 0.167 -10.887 39.409 357 HB2 PRO 44 HB2 PRO 44 0.263 -8.243 40.018 358 HB3 PRO 44 HB3 PRO 44 1.582 -9.361 40.383 359 HG2 PRO 44 HG2 PRO 44 1.300 -7.446 38.100 360 HG3 PRO 44 HG3 PRO 44 2.723 -7.793 39.100 361 HD2 PRO 44 HD2 PRO 44 2.384 -8.849 36.629 362 HD3 PRO 44 HD3 PRO 44 3.233 -9.712 37.928 363 HA PRO 45 HA PRO 45 -3.834 -9.568 38.151 364 HB2 PRO 45 HB2 PRO 45 -4.908 -8.542 40.424 365 HB3 PRO 45 HB3 PRO 45 -4.631 -10.271 40.188 366 HG2 PRO 45 HG2 PRO 45 -2.971 -8.273 41.675 367 HG3 PRO 45 HG3 PRO 45 -3.411 -9.927 42.137 368 HD2 PRO 45 HD2 PRO 45 -0.992 -9.300 41.093 369 HD3 PRO 45 HD3 PRO 45 -1.779 -10.867 40.808 370 H LEU 46 H LEU 46 -5.451 -7.523 38.857 371 HA LEU 46 HA LEU 46 -4.749 -5.412 37.292 372 HB2 LEU 46 HB2 LEU 46 -6.347 -5.149 39.832 373 HB3 LEU 46 HB3 LEU 46 -6.428 -4.104 38.415 374 HG LEU 46 HG LEU 46 -7.103 -6.997 38.126 375 HD11 LEU 46 HD11 LEU 46 -9.533 -6.072 38.553 376 HD12 LEU 46 HD12 LEU 46 -8.671 -4.957 39.612 377 HD13 LEU 46 HD13 LEU 46 -8.541 -6.696 39.871 378 HD21 LEU 46 HD21 LEU 46 -8.828 -5.137 36.809 379 HD22 LEU 46 HD22 LEU 46 -7.724 -6.320 36.107 380 HD23 LEU 46 HD23 LEU 46 -7.148 -4.699 36.497 381 H ALA 47 H ALA 47 -3.155 -3.987 37.345 382 HA ALA 47 HA ALA 47 -2.428 -2.644 39.792 383 HB1 ALA 47 HB1 ALA 47 -0.032 -3.770 38.524 384 HB2 ALA 47 HB2 ALA 47 -0.427 -3.564 40.231 385 HB3 ALA 47 HB3 ALA 47 -1.065 -4.944 39.338 386 H ARG 48 H ARG 48 -2.988 -0.747 38.751 387 HA ARG 48 HA ARG 48 -2.308 0.040 36.182 388 HB2 ARG 48 HB2 ARG 48 -2.468 2.408 37.156 389 HB3 ARG 48 HB3 ARG 48 -3.885 1.376 37.291 390 HG2 ARG 48 HG2 ARG 48 -3.702 1.180 39.555 391 HG3 ARG 48 HG3 ARG 48 -1.950 1.394 39.542 392 HD2 ARG 48 HD2 ARG 48 -2.091 3.677 39.524 393 HD3 ARG 48 HD3 ARG 48 -3.647 3.681 38.694 394 HE ARG 48 HE ARG 48 -3.196 3.630 41.528 395 HH11 ARG 48 HH11 ARG 48 -5.416 2.798 38.978 396 HH12 ARG 48 HH12 ARG 48 -6.811 2.833 40.004 397 HH21 ARG 48 HH21 ARG 48 -5.026 3.679 42.888 398 HH22 ARG 48 HH22 ARG 48 -6.589 3.335 42.228 399 H GLY 49 H GLY 49 -0.353 -0.109 39.044 400 HA2 GLY 49 HA2 GLY 49 1.697 1.676 38.183 401 HA3 GLY 49 HA3 GLY 49 1.831 0.483 39.467 402 H GLU 50 H GLU 50 0.781 -1.235 36.914 403 HA GLU 50 HA GLU 50 3.290 -2.489 36.487 404 HB2 GLU 50 HB2 GLU 50 0.529 -2.809 35.442 405 HB3 GLU 50 HB3 GLU 50 1.831 -3.465 34.460 406 HG2 GLU 50 HG2 GLU 50 1.588 -4.107 37.376 407 HG3 GLU 50 HG3 GLU 50 0.705 -5.011 36.147 408 H LEU 51 H LEU 51 1.550 0.043 34.859 409 HA LEU 51 HA LEU 51 3.536 0.045 32.690 410 HB2 LEU 51 HB2 LEU 51 1.156 -0.084 32.040 411 HB3 LEU 51 HB3 LEU 51 0.879 1.463 32.838 412 HG LEU 51 HG LEU 51 2.238 2.606 31.220 413 HD11 LEU 51 HD11 LEU 51 3.071 -0.145 30.513 414 HD12 LEU 51 HD12 LEU 51 4.008 1.347 30.569 415 HD13 LEU 51 HD13 LEU 51 2.945 1.025 29.200 416 HD21 LEU 51 HD21 LEU 51 0.138 2.568 30.333 417 HD22 LEU 51 HD22 LEU 51 0.073 0.806 30.271 418 HD23 LEU 51 HD23 LEU 51 1.002 1.698 29.065 419 H GLU 52 H GLU 52 1.713 2.347 34.718 420 HA GLU 52 HA GLU 52 3.518 4.495 34.190 421 HB2 GLU 52 HB2 GLU 52 2.265 5.552 36.171 422 HB3 GLU 52 HB3 GLU 52 1.346 5.184 34.718 423 HG2 GLU 52 HG2 GLU 52 0.249 3.402 35.702 424 HG3 GLU 52 HG3 GLU 52 1.473 3.211 36.955 425 H GLY 53 H GLY 53 3.057 2.233 36.873 426 HA2 GLY 53 HA2 GLY 53 5.005 3.420 38.574 427 HA3 GLY 53 HA3 GLY 53 4.333 1.805 38.739 428 H LEU 54 H LEU 54 5.118 0.585 36.427 429 HA LEU 54 HA LEU 54 8.002 0.395 36.852 430 HB2 LEU 54 HB2 LEU 54 6.283 -1.412 35.172 431 HB3 LEU 54 HB3 LEU 54 7.890 -1.739 35.817 432 HG LEU 54 HG LEU 54 5.306 -1.585 37.364 433 HD11 LEU 54 HD11 LEU 54 6.520 -3.685 35.978 434 HD12 LEU 54 HD12 LEU 54 5.207 -3.791 37.151 435 HD13 LEU 54 HD13 LEU 54 6.880 -3.970 37.681 436 HD21 LEU 54 HD21 LEU 54 6.614 -0.876 39.043 437 HD22 LEU 54 HD22 LEU 54 8.102 -1.338 38.215 438 HD23 LEU 54 HD23 LEU 54 7.168 -2.550 39.093 439 H ILE 55 H ILE 55 8.783 -0.712 34.436 440 HA ILE 55 HA ILE 55 8.374 1.522 32.556 441 HB ILE 55 HB ILE 55 10.697 1.005 31.724 442 HG12 ILE 55 HG12 ILE 55 10.703 -0.652 34.248 443 HG13 ILE 55 HG13 ILE 55 11.068 -1.183 32.609 444 HG21 ILE 55 HG21 ILE 55 10.017 2.875 33.313 445 HG22 ILE 55 HG22 ILE 55 10.702 1.879 34.597 446 HG23 ILE 55 HG23 ILE 55 11.725 2.439 33.275 447 HD11 ILE 55 HD11 ILE 55 13.167 -1.028 33.473 448 HD12 ILE 55 HD12 ILE 55 12.986 0.600 32.819 449 HD13 ILE 55 HD13 ILE 55 12.751 0.310 34.543 450 HA PRO 56 HA PRO 56 7.257 -1.322 29.407 451 HB2 PRO 56 HB2 PRO 56 8.462 -0.271 27.213 452 HB3 PRO 56 HB3 PRO 56 7.058 0.473 27.986 453 HG2 PRO 56 HG2 PRO 56 9.957 1.171 28.250 454 HG3 PRO 56 HG3 PRO 56 8.558 2.247 28.078 455 HD2 PRO 56 HD2 PRO 56 9.738 1.763 30.466 456 HD3 PRO 56 HD3 PRO 56 7.999 2.085 30.308 457 H VAL 57 H VAL 57 10.708 -0.453 29.296 458 HA VAL 57 HA VAL 57 11.573 -2.693 27.836 459 HB VAL 57 HB VAL 57 13.092 -1.013 29.835 460 HG11 VAL 57 HG11 VAL 57 14.967 -1.961 28.138 461 HG12 VAL 57 HG12 VAL 57 14.577 -2.702 29.692 462 HG13 VAL 57 HG13 VAL 57 13.868 -3.339 28.207 463 HG21 VAL 57 HG21 VAL 57 13.822 0.292 28.018 464 HG22 VAL 57 HG22 VAL 57 13.228 -0.873 26.835 465 HG23 VAL 57 HG23 VAL 57 12.087 0.091 27.773 466 H ASP 58 H ASP 58 10.564 -2.370 31.092 467 HA ASP 58 HA ASP 58 11.929 -4.793 31.962 468 HB2 ASP 58 HB2 ASP 58 11.771 -2.850 33.492 469 HB3 ASP 58 HB3 ASP 58 10.017 -3.006 33.479 470 H LEU 59 H LEU 59 8.561 -3.612 31.940 471 HA LEU 59 HA LEU 59 7.376 -6.097 32.463 472 HB2 LEU 59 HB2 LEU 59 5.565 -4.831 32.570 473 HB3 LEU 59 HB3 LEU 59 6.524 -3.466 32.000 474 HG LEU 59 HG LEU 59 5.188 -5.368 30.096 475 HD11 LEU 59 HD11 LEU 59 3.357 -3.715 29.948 476 HD12 LEU 59 HD12 LEU 59 4.031 -2.884 31.350 477 HD13 LEU 59 HD13 LEU 59 3.427 -4.533 31.509 478 HD21 LEU 59 HD21 LEU 59 6.980 -3.258 29.777 479 HD22 LEU 59 HD22 LEU 59 5.408 -2.597 29.326 480 HD23 LEU 59 HD23 LEU 59 6.023 -4.041 28.520 481 H ALA 60 H ALA 60 8.411 -4.596 29.472 482 HA ALA 60 HA ALA 60 7.078 -6.302 27.671 483 HB1 ALA 60 HB1 ALA 60 8.069 -4.186 26.979 484 HB2 ALA 60 HB2 ALA 60 9.682 -4.824 27.305 485 HB3 ALA 60 HB3 ALA 60 8.701 -5.523 26.017 486 H GLU 61 H GLU 61 10.399 -6.427 28.959 487 HA GLU 61 HA GLU 61 11.244 -8.729 27.656 488 HB2 GLU 61 HB2 GLU 61 13.041 -8.775 29.139 489 HB3 GLU 61 HB3 GLU 61 12.562 -7.084 29.150 490 HG2 GLU 61 HG2 GLU 61 12.590 -7.274 31.365 491 HG3 GLU 61 HG3 GLU 61 11.053 -8.115 31.176 492 H LEU 62 H LEU 62 9.234 -8.353 30.492 493 HA LEU 62 HA LEU 62 9.353 -11.097 31.292 494 HB2 LEU 62 HB2 LEU 62 8.838 -9.461 32.946 495 HB3 LEU 62 HB3 LEU 62 7.493 -8.837 31.992 496 HG LEU 62 HG LEU 62 7.146 -11.642 32.649 497 HD11 LEU 62 HD11 LEU 62 7.708 -9.693 34.852 498 HD12 LEU 62 HD12 LEU 62 8.277 -11.351 34.658 499 HD13 LEU 62 HD13 LEU 62 6.594 -11.041 35.087 500 HD21 LEU 62 HD21 LEU 62 4.984 -10.748 33.497 501 HD22 LEU 62 HD22 LEU 62 5.342 -10.291 31.831 502 HD23 LEU 62 HD23 LEU 62 5.564 -9.122 33.133 503 H LEU 63 H LEU 63 7.007 -9.120 29.510 504 HA LEU 63 HA LEU 63 5.091 -11.155 29.142 505 HB2 LEU 63 HB2 LEU 63 5.168 -8.497 28.655 506 HB3 LEU 63 HB3 LEU 63 5.350 -9.128 27.019 507 HG LEU 63 HG LEU 63 3.099 -9.992 28.814 508 HD11 LEU 63 HD11 LEU 63 1.701 -8.306 27.809 509 HD12 LEU 63 HD12 LEU 63 3.053 -7.708 26.847 510 HD13 LEU 63 HD13 LEU 63 3.073 -7.531 28.602 511 HD21 LEU 63 HD21 LEU 63 2.124 -10.842 26.892 512 HD22 LEU 63 HD22 LEU 63 3.833 -11.207 26.651 513 HD23 LEU 63 HD23 LEU 63 3.100 -9.831 25.826 514 H ILE 64 H ILE 64 7.737 -10.003 27.072 515 HA ILE 64 HA ILE 64 7.248 -11.711 24.899 516 HB ILE 64 HB ILE 64 9.481 -11.224 24.156 517 HG12 ILE 64 HG12 ILE 64 9.988 -10.099 26.919 518 HG13 ILE 64 HG13 ILE 64 10.619 -11.629 26.320 519 HG21 ILE 64 HG21 ILE 64 9.245 -8.595 25.179 520 HG22 ILE 64 HG22 ILE 64 8.742 -9.208 23.605 521 HG23 ILE 64 HG23 ILE 64 7.616 -9.235 24.962 522 HD11 ILE 64 HD11 ILE 64 11.354 -8.846 25.518 523 HD12 ILE 64 HD12 ILE 64 12.392 -10.166 26.060 524 HD13 ILE 64 HD13 ILE 64 11.671 -10.214 24.451 525 H SER 65 H SER 65 9.011 -12.183 27.896 526 HA SER 65 HA SER 65 10.166 -14.687 27.094 527 HB2 SER 65 HB2 SER 65 11.153 -13.123 28.820 528 HB3 SER 65 HB3 SER 65 9.866 -13.634 29.912 529 HG SER 65 HG SER 65 11.382 -15.614 28.656 530 H LYS 66 H LYS 66 7.201 -13.649 28.530 531 HA LYS 66 HA LYS 66 6.378 -15.878 29.942 532 HB2 LYS 66 HB2 LYS 66 4.985 -13.997 30.077 533 HB3 LYS 66 HB3 LYS 66 4.880 -13.834 28.329 534 HG2 LYS 66 HG2 LYS 66 2.794 -14.639 29.390 535 HG3 LYS 66 HG3 LYS 66 3.442 -15.740 28.172 536 HD2 LYS 66 HD2 LYS 66 4.636 -16.575 30.526 537 HD3 LYS 66 HD3 LYS 66 2.989 -16.162 31.010 538 HE2 LYS 66 HE2 LYS 66 2.140 -17.950 29.979 539 HE3 LYS 66 HE3 LYS 66 3.066 -17.638 28.512 540 HZ1 LYS 66 HZ1 LYS 66 3.883 -19.658 29.235 541 HZ2 LYS 66 HZ2 LYS 66 3.824 -19.234 30.871 542 HZ3 LYS 66 HZ3 LYS 66 5.018 -18.576 29.870 543 H TYR 67 H TYR 67 5.446 -15.176 26.568 544 HA TYR 67 HA TYR 67 5.399 -18.083 26.087 545 HB2 TYR 67 HB2 TYR 67 3.197 -16.484 26.056 546 HB3 TYR 67 HB3 TYR 67 3.688 -16.404 24.367 547 HD1 TYR 67 HD1 TYR 67 4.733 -19.112 23.907 548 HD2 TYR 67 HD2 TYR 67 1.304 -17.837 26.080 549 HE1 TYR 67 HE1 TYR 67 3.668 -21.289 23.492 550 HE2 TYR 67 HE2 TYR 67 0.230 -20.012 25.672 551 HH TYR 67 HH TYR 67 0.338 -21.877 24.233 552 H GLY 68 H GLY 68 5.946 -14.880 24.694 553 HA2 GLY 68 HA2 GLY 68 8.214 -15.569 23.254 554 HA3 GLY 68 HA3 GLY 68 6.854 -15.806 22.166 555 H GLU 69 H GLU 69 9.102 -13.859 22.125 556 HA GLU 69 HA GLU 69 8.111 -11.284 22.759 557 HB2 GLU 69 HB2 GLU 69 9.956 -10.468 21.307 558 HB3 GLU 69 HB3 GLU 69 10.484 -11.630 22.517 559 HG2 GLU 69 HG2 GLU 69 11.044 -13.186 20.983 560 HG3 GLU 69 HG3 GLU 69 9.746 -12.729 19.881 561 H LYS 70 H LYS 70 7.694 -13.393 20.041 562 HA LYS 70 HA LYS 70 6.934 -11.503 18.098 563 HB2 LYS 70 HB2 LYS 70 7.043 -14.347 18.333 564 HB3 LYS 70 HB3 LYS 70 5.462 -13.906 17.702 565 HG2 LYS 70 HG2 LYS 70 6.983 -14.310 15.882 566 HG3 LYS 70 HG3 LYS 70 6.557 -12.598 15.929 567 HD2 LYS 70 HD2 LYS 70 8.774 -12.634 17.500 568 HD3 LYS 70 HD3 LYS 70 9.151 -13.917 16.348 569 HE2 LYS 70 HE2 LYS 70 8.262 -12.072 14.638 570 HE3 LYS 70 HE3 LYS 70 8.827 -11.001 15.920 571 HZ1 LYS 70 HZ1 LYS 70 10.450 -13.082 14.556 572 HZ2 LYS 70 HZ2 LYS 70 10.995 -12.072 15.798 573 HZ3 LYS 70 HZ3 LYS 70 10.563 -11.414 14.301 574 H GLU 71 H GLU 71 4.643 -13.825 19.494 575 HA GLU 71 HA GLU 71 2.348 -12.400 18.968 576 HB2 GLU 71 HB2 GLU 71 2.405 -14.753 19.729 577 HB3 GLU 71 HB3 GLU 71 2.824 -14.205 21.346 578 HG2 GLU 71 HG2 GLU 71 0.465 -14.756 21.182 579 HG3 GLU 71 HG3 GLU 71 0.698 -13.043 21.523 580 H ALA 72 H ALA 72 4.660 -11.932 21.515 581 HA ALA 72 HA ALA 72 3.246 -10.570 23.435 582 HB1 ALA 72 HB1 ALA 72 5.647 -9.154 23.183 583 HB2 ALA 72 HB2 ALA 72 5.310 -10.517 24.252 584 HB3 ALA 72 HB3 ALA 72 6.002 -10.799 22.654 585 H VAL 73 H VAL 73 5.043 -8.959 20.802 586 HA VAL 73 HA VAL 73 3.939 -6.422 21.205 587 HB VAL 73 HB VAL 73 5.157 -7.683 18.754 588 HG11 VAL 73 HG11 VAL 73 4.077 -6.076 17.605 589 HG12 VAL 73 HG12 VAL 73 3.752 -5.115 19.049 590 HG13 VAL 73 HG13 VAL 73 5.332 -5.031 18.268 591 HG21 VAL 73 HG21 VAL 73 6.895 -7.364 20.207 592 HG22 VAL 73 HG22 VAL 73 6.867 -5.786 19.420 593 HG23 VAL 73 HG23 VAL 73 6.122 -5.994 21.005 594 H LYS 74 H LYS 74 2.761 -9.188 19.432 595 HA LYS 74 HA LYS 74 0.794 -7.844 17.898 596 HB2 LYS 74 HB2 LYS 74 1.317 -10.682 18.671 597 HB3 LYS 74 HB3 LYS 74 -0.253 -10.271 17.993 598 HG2 LYS 74 HG2 LYS 74 0.591 -10.330 15.952 599 HG3 LYS 74 HG3 LYS 74 1.764 -9.082 16.378 600 HD2 LYS 74 HD2 LYS 74 3.305 -10.761 17.194 601 HD3 LYS 74 HD3 LYS 74 2.117 -12.033 16.901 602 HE2 LYS 74 HE2 LYS 74 3.158 -12.274 14.931 603 HE3 LYS 74 HE3 LYS 74 2.263 -10.831 14.458 604 HZ1 LYS 74 HZ1 LYS 74 4.661 -10.170 15.845 605 HZ2 LYS 74 HZ2 LYS 74 4.136 -9.674 14.316 606 HZ3 LYS 74 HZ3 LYS 74 4.987 -11.126 14.488 607 H VAL 75 H VAL 75 0.635 -9.599 20.986 608 HA VAL 75 HA VAL 75 -2.096 -9.332 21.461 609 HB VAL 75 HB VAL 75 -0.340 -10.678 22.783 610 HG11 VAL 75 HG11 VAL 75 1.068 -9.634 24.154 611 HG12 VAL 75 HG12 VAL 75 0.543 -8.115 23.426 612 HG13 VAL 75 HG13 VAL 75 -0.240 -8.709 24.890 613 HG21 VAL 75 HG21 VAL 75 -2.251 -9.283 24.602 614 HG22 VAL 75 HG22 VAL 75 -2.874 -10.235 23.255 615 HG23 VAL 75 HG23 VAL 75 -1.863 -10.999 24.481 616 H VAL 76 H VAL 76 0.380 -6.967 21.510 617 HA VAL 76 HA VAL 76 -0.970 -5.130 23.273 618 HB VAL 76 HB VAL 76 1.533 -5.079 21.670 619 HG11 VAL 76 HG11 VAL 76 0.641 -3.033 20.895 620 HG12 VAL 76 HG12 VAL 76 0.002 -2.621 22.488 621 HG13 VAL 76 HG13 VAL 76 1.744 -2.614 22.205 622 HG21 VAL 76 HG21 VAL 76 1.870 -5.708 23.882 623 HG22 VAL 76 HG22 VAL 76 2.268 -3.990 23.895 624 HG23 VAL 76 HG23 VAL 76 0.704 -4.538 24.498 625 H LEU 77 H LEU 77 -0.235 -5.161 19.783 626 HA LEU 77 HA LEU 77 -1.853 -2.896 19.209 627 HB2 LEU 77 HB2 LEU 77 -1.616 -3.737 16.824 628 HB3 LEU 77 HB3 LEU 77 -0.136 -3.316 17.684 629 HG LEU 77 HG LEU 77 -0.550 -6.070 18.107 630 HD11 LEU 77 HD11 LEU 77 -1.175 -7.029 16.172 631 HD12 LEU 77 HD12 LEU 77 -0.414 -5.784 15.183 632 HD13 LEU 77 HD13 LEU 77 -1.996 -5.492 15.904 633 HD21 LEU 77 HD21 LEU 77 1.563 -6.286 17.051 634 HD22 LEU 77 HD22 LEU 77 1.576 -4.740 17.900 635 HD23 LEU 77 HD23 LEU 77 1.343 -4.784 16.152 636 H LYS 78 H LYS 78 -2.347 -6.392 18.879 637 HA LYS 78 HA LYS 78 -4.791 -6.423 17.599 638 HB2 LYS 78 HB2 LYS 78 -3.181 -8.325 18.649 639 HB3 LYS 78 HB3 LYS 78 -4.489 -8.350 19.825 640 HG2 LYS 78 HG2 LYS 78 -5.625 -8.320 17.218 641 HG3 LYS 78 HG3 LYS 78 -4.386 -9.576 17.283 642 HD2 LYS 78 HD2 LYS 78 -6.422 -10.590 17.961 643 HD3 LYS 78 HD3 LYS 78 -5.459 -10.364 19.423 644 HE2 LYS 78 HE2 LYS 78 -7.673 -9.700 19.953 645 HE3 LYS 78 HE3 LYS 78 -6.725 -8.222 19.795 646 HZ1 LYS 78 HZ1 LYS 78 -8.736 -7.857 18.655 647 HZ2 LYS 78 HZ2 LYS 78 -8.663 -9.348 17.859 648 HZ3 LYS 78 HZ3 LYS 78 -7.576 -8.118 17.450 649 H GLY 79 H GLY 79 -4.144 -6.106 21.076 650 HA2 GLY 79 HA2 GLY 79 -6.947 -5.889 21.720 651 HA3 GLY 79 HA3 GLY 79 -5.600 -5.684 22.830 652 H LEU 80 H LEU 80 -4.457 -3.707 20.788 653 HA LEU 80 HA LEU 80 -5.562 -1.372 22.017 654 HB2 LEU 80 HB2 LEU 80 -3.233 -2.055 20.536 655 HB3 LEU 80 HB3 LEU 80 -4.007 -0.684 19.743 656 HG LEU 80 HG LEU 80 -3.990 0.453 22.013 657 HD11 LEU 80 HD11 LEU 80 -3.269 -0.649 23.793 658 HD12 LEU 80 HD12 LEU 80 -1.712 -0.929 23.015 659 HD13 LEU 80 HD13 LEU 80 -3.027 -2.085 22.798 660 HD21 LEU 80 HD21 LEU 80 -1.223 -0.147 21.034 661 HD22 LEU 80 HD22 LEU 80 -1.889 1.375 21.625 662 HD23 LEU 80 HD23 LEU 80 -2.363 0.761 20.040 663 H LYS 81 H LYS 81 -6.004 -3.040 18.990 664 HA LYS 81 HA LYS 81 -7.118 -1.078 17.397 665 HB2 LYS 81 HB2 LYS 81 -7.315 -4.019 17.565 666 HB3 LYS 81 HB3 LYS 81 -8.642 -3.227 16.726 667 HG2 LYS 81 HG2 LYS 81 -5.874 -2.438 16.001 668 HG3 LYS 81 HG3 LYS 81 -6.459 -4.016 15.468 669 HD2 LYS 81 HD2 LYS 81 -7.929 -1.426 14.994 670 HD3 LYS 81 HD3 LYS 81 -6.823 -2.159 13.829 671 HE2 LYS 81 HE2 LYS 81 -8.292 -4.261 14.097 672 HE3 LYS 81 HE3 LYS 81 -9.474 -3.163 14.807 673 HZ1 LYS 81 HZ1 LYS 81 -9.944 -2.258 12.826 674 HZ2 LYS 81 HZ2 LYS 81 -9.286 -3.680 12.191 675 HZ3 LYS 81 HZ3 LYS 81 -8.338 -2.283 12.295 676 H VAL 82 H VAL 82 -8.935 -3.348 19.470 677 HA VAL 82 HA VAL 82 -11.432 -2.130 19.157 678 HB VAL 82 HB VAL 82 -10.626 -3.506 21.705 679 HG11 VAL 82 HG11 VAL 82 -12.808 -3.435 22.099 680 HG12 VAL 82 HG12 VAL 82 -13.067 -2.604 20.563 681 HG13 VAL 82 HG13 VAL 82 -13.106 -4.367 20.632 682 HG21 VAL 82 HG21 VAL 82 -11.313 -5.634 20.455 683 HG22 VAL 82 HG22 VAL 82 -11.013 -4.711 18.982 684 HG23 VAL 82 HG23 VAL 82 -9.706 -4.980 20.136 685 H MET 83 H MET 83 -8.721 -0.851 20.568 686 HA MET 83 HA MET 83 -10.236 0.772 22.490 687 HB2 MET 83 HB2 MET 83 -8.154 -0.437 23.237 688 HB3 MET 83 HB3 MET 83 -7.237 0.618 22.170 689 HG2 MET 83 HG2 MET 83 -7.121 1.457 24.411 690 HG3 MET 83 HG3 MET 83 -8.069 2.565 23.423 691 HE1 MET 83 HE1 MET 83 -7.468 1.381 26.419 692 HE2 MET 83 HE2 MET 83 -8.702 2.444 27.097 693 HE3 MET 83 HE3 MET 83 -8.872 0.693 27.236 694 H ASN 84 H ASN 84 -8.954 0.864 19.376 695 HA ASN 84 HA ASN 84 -8.921 2.521 17.807 696 HB2 ASN 84 HB2 ASN 84 -10.744 3.471 19.693 697 HB3 ASN 84 HB3 ASN 84 -9.619 4.806 19.460 698 HD21 ASN 84 HD21 ASN 84 -9.232 5.500 17.244 699 HD22 ASN 84 HD22 ASN 84 -10.520 5.389 16.099 700 H LEU 85 H LEU 85 -6.656 1.856 19.448 701 HA LEU 85 HA LEU 85 -5.276 4.396 19.850 702 HB2 LEU 85 HB2 LEU 85 -5.019 1.687 20.868 703 HB3 LEU 85 HB3 LEU 85 -3.472 2.364 20.363 704 HG LEU 85 HG LEU 85 -3.563 2.899 22.612 705 HD11 LEU 85 HD11 LEU 85 -3.541 5.202 22.684 706 HD12 LEU 85 HD12 LEU 85 -4.932 5.357 21.612 707 HD13 LEU 85 HD13 LEU 85 -3.361 4.895 20.957 708 HD21 LEU 85 HD21 LEU 85 -5.440 2.753 23.783 709 HD22 LEU 85 HD22 LEU 85 -6.346 2.578 22.279 710 HD23 LEU 85 HD23 LEU 85 -6.088 4.179 22.973 711 H LEU 86 H LEU 86 -5.985 3.414 17.168 712 HA LEU 86 HA LEU 86 -3.760 2.351 15.828 713 HB2 LEU 86 HB2 LEU 86 -4.817 3.092 13.797 714 HB3 LEU 86 HB3 LEU 86 -6.029 2.433 14.894 715 HG LEU 86 HG LEU 86 -6.204 5.063 15.496 716 HD11 LEU 86 HD11 LEU 86 -5.050 6.247 13.993 717 HD12 LEU 86 HD12 LEU 86 -6.355 5.842 12.879 718 HD13 LEU 86 HD13 LEU 86 -4.882 4.874 12.899 719 HD21 LEU 86 HD21 LEU 86 -7.873 3.209 14.599 720 HD22 LEU 86 HD22 LEU 86 -7.722 4.148 13.113 721 HD23 LEU 86 HD23 LEU 86 -8.290 4.923 14.593 722 H GLU 87 H GLU 87 -4.159 5.353 17.287 723 HA GLU 87 HA GLU 87 -2.884 7.159 15.635 724 HB2 GLU 87 HB2 GLU 87 -3.907 7.810 17.749 725 HB3 GLU 87 HB3 GLU 87 -2.685 6.915 18.641 726 HG2 GLU 87 HG2 GLU 87 -0.968 8.433 17.631 727 HG3 GLU 87 HG3 GLU 87 -2.298 9.398 16.993 728 H LEU 88 H LEU 88 -1.185 5.665 18.381 729 HA LEU 88 HA LEU 88 1.358 6.048 17.107 730 HB2 LEU 88 HB2 LEU 88 0.811 4.409 19.566 731 HB3 LEU 88 HB3 LEU 88 2.318 5.194 19.099 732 HG LEU 88 HG LEU 88 1.560 6.562 20.791 733 HD11 LEU 88 HD11 LEU 88 0.359 8.537 19.584 734 HD12 LEU 88 HD12 LEU 88 0.681 7.590 18.132 735 HD13 LEU 88 HD13 LEU 88 2.018 8.114 19.157 736 HD21 LEU 88 HD21 LEU 88 -0.508 6.466 21.593 737 HD22 LEU 88 HD22 LEU 88 -0.915 5.363 20.278 738 HD23 LEU 88 HD23 LEU 88 -1.176 7.098 20.088 739 H VAL 89 H VAL 89 -0.892 3.415 17.516 740 HA VAL 89 HA VAL 89 0.748 1.227 17.007 741 HB VAL 89 HB VAL 89 -2.132 1.779 16.818 742 HG11 VAL 89 HG11 VAL 89 -2.560 -0.358 15.579 743 HG12 VAL 89 HG12 VAL 89 -1.913 0.954 14.591 744 HG13 VAL 89 HG13 VAL 89 -0.858 -0.358 15.119 745 HG21 VAL 89 HG21 VAL 89 -0.857 -0.815 17.583 746 HG22 VAL 89 HG22 VAL 89 -0.719 0.586 18.645 747 HG23 VAL 89 HG23 VAL 89 -2.310 -0.050 18.226 748 H ASP 90 H ASP 90 -0.462 3.671 14.857 749 HA ASP 90 HA ASP 90 -0.454 2.571 12.386 750 HB2 ASP 90 HB2 ASP 90 -0.613 5.075 13.176 751 HB3 ASP 90 HB3 ASP 90 1.095 5.107 12.746 752 H GLN 91 H GLN 91 2.476 3.754 14.037 753 HA GLN 91 HA GLN 91 4.199 2.631 12.026 754 HB2 GLN 91 HB2 GLN 91 4.447 4.594 14.002 755 HB3 GLN 91 HB3 GLN 91 5.536 3.308 14.505 756 HG2 GLN 91 HG2 GLN 91 7.034 3.971 13.028 757 HG3 GLN 91 HG3 GLN 91 5.881 3.724 11.719 758 HE21 GLN 91 HE21 GLN 91 5.575 5.438 10.510 759 HE22 GLN 91 HE22 GLN 91 5.672 7.085 11.023 760 H LEU 92 H LEU 92 3.865 2.038 15.531 761 HA LEU 92 HA LEU 92 5.440 -0.063 15.975 762 HB2 LEU 92 HB2 LEU 92 4.063 0.687 17.735 763 HB3 LEU 92 HB3 LEU 92 2.590 0.319 16.841 764 HG LEU 92 HG LEU 92 3.258 -1.194 18.815 765 HD11 LEU 92 HD11 LEU 92 2.830 -2.972 16.538 766 HD12 LEU 92 HD12 LEU 92 1.743 -1.584 16.576 767 HD13 LEU 92 HD13 LEU 92 1.824 -2.678 17.957 768 HD21 LEU 92 HD21 LEU 92 4.996 -2.623 18.639 769 HD22 LEU 92 HD22 LEU 92 5.629 -1.379 17.560 770 HD23 LEU 92 HD23 LEU 92 4.819 -2.797 16.893 771 H SER 93 H SER 93 2.189 -0.412 14.559 772 HA SER 93 HA SER 93 2.357 -3.182 14.107 773 HB2 SER 93 HB2 SER 93 0.428 -1.196 13.751 774 HB3 SER 93 HB3 SER 93 0.725 -1.818 12.127 775 HG SER 93 HG SER 93 0.404 -3.643 14.224 776 H HIS 94 H HIS 94 3.014 -0.423 11.971 777 HA HIS 94 HA HIS 94 3.763 -2.034 9.742 778 HB2 HIS 94 HB2 HIS 94 3.177 0.637 10.119 779 HB3 HIS 94 HB3 HIS 94 4.909 0.658 9.802 780 HD1 HIS 94 HD1 HIS 94 2.053 -1.307 8.215 781 HD2 HIS 94 HD2 HIS 94 5.223 1.168 7.175 782 HE1 HIS 94 HE1 HIS 94 2.019 -1.191 5.703 783 H ILE 95 H ILE 95 5.242 -1.633 12.637 784 HA ILE 95 HA ILE 95 7.956 -1.786 11.514 785 HB ILE 95 HB ILE 95 7.041 -1.136 14.316 786 HG12 ILE 95 HG12 ILE 95 8.624 0.564 12.387 787 HG13 ILE 95 HG13 ILE 95 6.868 0.624 12.489 788 HG21 ILE 95 HG21 ILE 95 8.998 -2.188 14.815 789 HG22 ILE 95 HG22 ILE 95 9.699 -1.878 13.228 790 HG23 ILE 95 HG23 ILE 95 9.631 -0.588 14.429 791 HD11 ILE 95 HD11 ILE 95 6.936 1.935 14.275 792 HD12 ILE 95 HD12 ILE 95 8.114 0.903 15.085 793 HD13 ILE 95 HD13 ILE 95 8.656 2.133 13.944 794 H CYS 96 H CYS 96 5.568 -3.487 13.390 795 HA CYS 96 HA CYS 96 7.449 -5.722 13.756 796 HB2 CYS 96 HB2 CYS 96 5.531 -4.506 15.517 797 HB3 CYS 96 HB3 CYS 96 5.098 -6.190 15.254 798 HG CYS 96 HG CYS 96 7.144 -7.302 16.487 799 H LEU 97 H LEU 97 5.318 -4.763 11.588 800 HA LEU 97 HA LEU 97 4.113 -5.804 9.963 801 HB2 LEU 97 HB2 LEU 97 4.915 -8.467 11.066 802 HB3 LEU 97 HB3 LEU 97 4.610 -8.004 9.393 803 HG LEU 97 HG LEU 97 7.033 -7.303 11.047 804 HD11 LEU 97 HD11 LEU 97 7.509 -9.418 10.382 805 HD12 LEU 97 HD12 LEU 97 7.993 -8.570 8.913 806 HD13 LEU 97 HD13 LEU 97 6.414 -9.351 9.000 807 HD21 LEU 97 HD21 LEU 97 7.156 -5.506 9.721 808 HD22 LEU 97 HD22 LEU 97 5.920 -6.116 8.621 809 HD23 LEU 97 HD23 LEU 97 7.593 -6.646 8.449 810 H HIS 98 H HIS 98 1.981 -5.709 10.119 811 HA HIS 98 HA HIS 98 0.614 -6.782 12.440 812 HB2 HIS 98 HB2 HIS 98 -1.370 -5.686 11.530 813 HB3 HIS 98 HB3 HIS 98 -0.009 -4.569 11.554 814 HD1 HIS 98 HD1 HIS 98 0.839 -3.692 9.312 815 HD2 HIS 98 HD2 HIS 98 -2.202 -6.501 8.948 816 HE1 HIS 98 HE1 HIS 98 0.125 -3.602 6.903 817 H ASP 99 H ASP 99 0.924 -7.459 9.011 818 HA ASP 99 HA ASP 99 -1.174 -9.276 8.705 819 HB2 ASP 99 HB2 ASP 99 0.978 -8.345 7.143 820 HB3 ASP 99 HB3 ASP 99 1.118 -10.101 7.165 821 H TYR 100 H TYR 100 1.813 -9.577 10.376 822 HA TYR 100 HA TYR 100 1.998 -12.427 10.299 823 HB2 TYR 100 HB2 TYR 100 3.729 -10.451 10.988 824 HB3 TYR 100 HB3 TYR 100 3.230 -11.012 12.580 825 HD1 TYR 100 HD2 TYR 100 3.239 -13.668 12.829 826 HD2 TYR 100 HD1 TYR 100 5.552 -11.473 10.012 827 HE1 TYR 100 HE2 TYR 100 4.814 -15.550 12.665 828 HE2 TYR 100 HE1 TYR 100 7.132 -13.349 9.839 829 HH TYR 100 HH TYR 100 6.877 -16.165 11.930 830 H ARG 101 H ARG 101 0.195 -10.161 12.155 831 HA ARG 101 HA ARG 101 -0.226 -11.759 14.468 832 HB2 ARG 101 HB2 ARG 101 -1.271 -9.930 15.226 833 HB3 ARG 101 HB3 ARG 101 -0.825 -9.160 13.710 834 HG2 ARG 101 HG2 ARG 101 -2.966 -9.930 12.737 835 HG3 ARG 101 HG3 ARG 101 -3.412 -10.570 14.320 836 HD2 ARG 101 HD2 ARG 101 -3.945 -8.545 15.111 837 HD3 ARG 101 HD3 ARG 101 -2.515 -7.796 14.402 838 HE ARG 101 HE ARG 101 -3.826 -7.069 12.689 839 HH11 ARG 101 HH11 ARG 101 -5.398 -9.777 14.209 840 HH12 ARG 101 HH12 ARG 101 -6.832 -9.654 13.245 841 HH21 ARG 101 HH21 ARG 101 -5.709 -6.896 11.412 842 HH22 ARG 101 HH22 ARG 101 -7.008 -8.015 11.653 843 H GLU 102 H GLU 102 -2.206 -12.805 15.102 844 HA GLU 102 HA GLU 102 -3.657 -13.940 12.803 845 HB2 GLU 102 HB2 GLU 102 -4.070 -15.911 14.240 846 HB3 GLU 102 HB3 GLU 102 -2.359 -15.626 13.956 847 HG2 GLU 102 HG2 GLU 102 -3.284 -14.284 16.344 848 HG3 GLU 102 HG3 GLU 102 -3.598 -16.017 16.399 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.221 4.828 8.952 2 HA2 GLY 1 HA2 GLY 1 -8.292 6.521 7.899 3 HA3 GLY 1 HA3 GLY 1 -7.833 6.236 9.571 4 H ALA 2 H ALA 2 -6.536 5.444 7.027 5 HA ALA 2 HA ALA 2 -5.809 2.797 7.803 6 HB1 ALA 2 HB1 ALA 2 -6.956 1.494 6.396 7 HB2 ALA 2 HB2 ALA 2 -8.045 2.871 6.218 8 HB3 ALA 2 HB3 ALA 2 -6.751 2.614 5.049 9 H MET 3 H MET 3 -3.771 2.394 7.174 10 HA MET 3 HA MET 3 -2.677 3.920 4.912 11 HB2 MET 3 HB2 MET 3 -1.581 3.674 7.697 12 HB3 MET 3 HB3 MET 3 -0.508 3.966 6.335 13 HG2 MET 3 HG2 MET 3 -0.885 6.119 6.773 14 HG3 MET 3 HG3 MET 3 -2.405 5.857 5.922 15 HE1 MET 3 HE1 MET 3 -3.195 8.038 7.105 16 HE2 MET 3 HE2 MET 3 -4.531 6.893 6.992 17 HE3 MET 3 HE3 MET 3 -4.280 7.812 8.477 18 H ALA 4 H ALA 4 -0.326 3.009 4.471 19 HA ALA 4 HA ALA 4 0.138 0.259 5.005 20 HB1 ALA 4 HB1 ALA 4 -0.892 0.907 2.245 21 HB2 ALA 4 HB2 ALA 4 -0.255 -0.649 2.777 22 HB3 ALA 4 HB3 ALA 4 -1.748 -0.022 3.475 23 H MET 5 H MET 5 2.021 1.762 5.509 24 HA MET 5 HA MET 5 3.700 2.147 3.121 25 HB2 MET 5 HB2 MET 5 4.154 3.408 5.821 26 HB3 MET 5 HB3 MET 5 4.870 3.863 4.280 27 HG2 MET 5 HG2 MET 5 2.402 4.327 3.591 28 HG3 MET 5 HG3 MET 5 2.135 4.400 5.331 29 HE1 MET 5 HE1 MET 5 1.991 6.604 6.385 30 HE2 MET 5 HE2 MET 5 3.578 6.070 6.939 31 HE3 MET 5 HE3 MET 5 3.348 7.732 6.394 32 H ALA 6 H ALA 6 6.128 1.999 3.701 33 HA ALA 6 HA ALA 6 6.533 -0.437 5.312 34 HB1 ALA 6 HB1 ALA 6 7.176 -1.267 3.322 35 HB2 ALA 6 HB2 ALA 6 7.476 0.329 2.633 36 HB3 ALA 6 HB3 ALA 6 8.683 -0.423 3.677 37 H LYS 7 H LYS 7 7.445 0.086 7.188 38 HA LYS 7 HA LYS 7 9.735 1.933 7.152 39 HB2 LYS 7 HB2 LYS 7 7.326 2.561 8.289 40 HB3 LYS 7 HB3 LYS 7 8.195 1.875 9.655 41 HG2 LYS 7 HG2 LYS 7 9.129 3.861 9.943 42 HG3 LYS 7 HG3 LYS 7 10.023 3.586 8.446 43 HD2 LYS 7 HD2 LYS 7 8.194 4.617 7.176 44 HD3 LYS 7 HD3 LYS 7 7.317 4.904 8.681 45 HE2 LYS 7 HE2 LYS 7 10.101 5.942 8.348 46 HE3 LYS 7 HE3 LYS 7 8.748 6.807 7.622 47 HZ1 LYS 7 HZ1 LYS 7 8.821 7.798 9.652 48 HZ2 LYS 7 HZ2 LYS 7 9.409 6.427 10.447 49 HZ3 LYS 7 HZ3 LYS 7 7.773 6.524 10.026 50 H ALA 8 H ALA 8 11.327 0.423 7.302 51 HA ALA 8 HA ALA 8 11.137 -1.726 9.246 52 HB1 ALA 8 HB1 ALA 8 12.082 -2.137 7.006 53 HB2 ALA 8 HB2 ALA 8 13.406 -1.035 7.384 54 HB3 ALA 8 HB3 ALA 8 13.212 -2.528 8.303 55 H ARG 9 H ARG 9 11.940 -1.652 11.240 56 HA ARG 9 HA ARG 9 14.206 0.064 11.857 57 HB2 ARG 9 HB2 ARG 9 11.587 0.925 12.379 58 HB3 ARG 9 HB3 ARG 9 12.219 0.385 13.929 59 HG2 ARG 9 HG2 ARG 9 14.302 1.832 13.152 60 HG3 ARG 9 HG3 ARG 9 13.049 2.660 12.226 61 HD2 ARG 9 HD2 ARG 9 12.439 2.084 15.061 62 HD3 ARG 9 HD3 ARG 9 13.682 3.297 14.754 63 HE ARG 9 HE ARG 9 10.855 3.536 14.252 64 HH11 ARG 9 HH11 ARG 9 14.033 4.719 13.467 65 HH12 ARG 9 HH12 ARG 9 13.467 6.263 12.922 66 HH21 ARG 9 HH21 ARG 9 10.096 5.565 13.536 67 HH22 ARG 9 HH22 ARG 9 11.227 6.743 12.963 68 H LYS 10 H LYS 10 14.209 -0.126 14.583 69 HA LYS 10 HA LYS 10 15.177 -2.742 15.006 70 HB2 LYS 10 HB2 LYS 10 14.431 -0.628 17.036 71 HB3 LYS 10 HB3 LYS 10 15.392 -2.063 17.366 72 HG2 LYS 10 HG2 LYS 10 16.193 0.036 15.369 73 HG3 LYS 10 HG3 LYS 10 16.686 0.060 17.063 74 HD2 LYS 10 HD2 LYS 10 18.203 -1.572 16.766 75 HD3 LYS 10 HD3 LYS 10 17.136 -2.502 15.711 76 HE2 LYS 10 HE2 LYS 10 19.095 -1.777 14.483 77 HE3 LYS 10 HE3 LYS 10 17.659 -0.965 13.862 78 HZ1 LYS 10 HZ1 LYS 10 19.664 0.475 14.190 79 HZ2 LYS 10 HZ2 LYS 10 19.468 0.270 15.858 80 HZ3 LYS 10 HZ3 LYS 10 18.256 1.025 14.951 81 HA PRO 11 HA PRO 11 11.384 -4.855 15.868 82 HB2 PRO 11 HB2 PRO 11 12.483 -7.128 16.866 83 HB3 PRO 11 HB3 PRO 11 12.463 -6.748 15.140 84 HG2 PRO 11 HG2 PRO 11 14.676 -6.410 17.128 85 HG3 PRO 11 HG3 PRO 11 14.749 -7.027 15.467 86 HD2 PRO 11 HD2 PRO 11 15.460 -4.495 16.114 87 HD3 PRO 11 HD3 PRO 11 14.735 -4.914 14.548 88 H ARG 12 H ARG 12 13.963 -4.711 18.303 89 HA ARG 12 HA ARG 12 12.210 -5.316 20.487 90 HB2 ARG 12 HB2 ARG 12 15.018 -4.199 20.417 91 HB3 ARG 12 HB3 ARG 12 14.168 -4.647 21.890 92 HG2 ARG 12 HG2 ARG 12 14.910 -6.496 19.633 93 HG3 ARG 12 HG3 ARG 12 15.694 -6.399 21.211 94 HD2 ARG 12 HD2 ARG 12 13.531 -7.015 22.262 95 HD3 ARG 12 HD3 ARG 12 12.851 -7.231 20.650 96 HE ARG 12 HE ARG 12 14.638 -9.015 22.038 97 HH11 ARG 12 HH11 ARG 12 13.374 -8.025 18.949 98 HH12 ARG 12 HH12 ARG 12 13.723 -9.536 18.176 99 HH21 ARG 12 HH21 ARG 12 15.103 -11.008 21.032 100 HH22 ARG 12 HH22 ARG 12 14.705 -11.232 19.362 101 H GLU 13 H GLU 13 13.782 -2.360 19.291 102 HA GLU 13 HA GLU 13 12.605 -0.664 21.250 103 HB2 GLU 13 HB2 GLU 13 14.462 -0.407 19.079 104 HB3 GLU 13 HB3 GLU 13 13.249 0.859 18.953 105 HG2 GLU 13 HG2 GLU 13 13.786 1.737 21.061 106 HG3 GLU 13 HG3 GLU 13 14.699 0.299 21.516 107 H ALA 14 H ALA 14 11.412 -2.120 18.428 108 HA ALA 14 HA ALA 14 9.518 -0.127 17.665 109 HB1 ALA 14 HB1 ALA 14 8.457 -2.350 16.619 110 HB2 ALA 14 HB2 ALA 14 9.830 -1.508 15.899 111 HB3 ALA 14 HB3 ALA 14 10.098 -2.926 16.912 112 H LEU 15 H LEU 15 9.214 -3.210 19.429 113 HA LEU 15 HA LEU 15 6.471 -2.928 20.016 114 HB2 LEU 15 HB2 LEU 15 6.670 -4.899 21.091 115 HB3 LEU 15 HB3 LEU 15 8.207 -4.943 20.230 116 HG LEU 15 HG LEU 15 9.045 -3.767 22.467 117 HD11 LEU 15 HD11 LEU 15 6.503 -4.071 23.208 118 HD12 LEU 15 HD12 LEU 15 7.846 -4.163 24.347 119 HD13 LEU 15 HD13 LEU 15 7.125 -5.642 23.713 120 HD21 LEU 15 HD21 LEU 15 8.843 -6.554 23.068 121 HD22 LEU 15 HD22 LEU 15 10.241 -5.634 22.513 122 HD23 LEU 15 HD23 LEU 15 9.132 -6.347 21.340 123 H LEU 16 H LEU 16 9.372 -1.811 21.629 124 HA LEU 16 HA LEU 16 8.093 -1.065 24.067 125 HB2 LEU 16 HB2 LEU 16 10.680 -0.061 22.890 126 HB3 LEU 16 HB3 LEU 16 10.159 0.113 24.565 127 HG LEU 16 HG LEU 16 10.703 -2.541 23.240 128 HD11 LEU 16 HD11 LEU 16 12.877 -2.268 23.569 129 HD12 LEU 16 HD12 LEU 16 12.609 -1.798 25.247 130 HD13 LEU 16 HD13 LEU 16 12.569 -0.579 23.973 131 HD21 LEU 16 HD21 LEU 16 9.950 -1.649 25.985 132 HD22 LEU 16 HD22 LEU 16 10.976 -3.071 25.789 133 HD23 LEU 16 HD23 LEU 16 9.374 -3.030 25.050 134 H TRP 17 H TRP 17 8.921 0.622 21.080 135 HA TRP 17 HA TRP 17 8.087 3.191 22.020 136 HB2 TRP 17 HB2 TRP 17 9.701 2.568 20.057 137 HB3 TRP 17 HB3 TRP 17 8.218 2.478 19.110 138 HD1 TRP 17 HD1 TRP 17 10.001 5.054 21.408 139 HE1 TRP 17 HE1 TRP 17 9.552 7.403 20.454 140 HE3 TRP 17 HE3 TRP 17 6.929 3.780 17.526 141 HZ2 TRP 17 HZ2 TRP 17 8.088 8.561 18.337 142 HZ3 TRP 17 HZ3 TRP 17 6.046 5.567 16.084 143 HH2 TRP 17 HH2 TRP 17 6.615 7.908 16.483 144 H ALA 18 H ALA 18 6.543 0.510 20.405 145 HA ALA 18 HA ALA 18 4.206 1.952 19.602 146 HB1 ALA 18 HB1 ALA 18 3.524 -0.746 19.772 147 HB2 ALA 18 HB2 ALA 18 4.058 0.131 18.337 148 HB3 ALA 18 HB3 ALA 18 5.233 -0.728 19.333 149 H LEU 19 H LEU 19 4.679 -0.588 22.069 150 HA LEU 19 HA LEU 19 2.219 -0.439 23.293 151 HB2 LEU 19 HB2 LEU 19 3.169 -1.533 25.144 152 HB3 LEU 19 HB3 LEU 19 4.086 -2.072 23.739 153 HG LEU 19 HG LEU 19 5.744 -0.183 24.456 154 HD11 LEU 19 HD11 LEU 19 4.753 0.931 26.195 155 HD12 LEU 19 HD12 LEU 19 5.715 -0.255 27.075 156 HD13 LEU 19 HD13 LEU 19 3.989 -0.523 26.838 157 HD21 LEU 19 HD21 LEU 19 6.458 -2.429 24.420 158 HD22 LEU 19 HD22 LEU 19 5.413 -2.866 25.772 159 HD23 LEU 19 HD23 LEU 19 6.823 -1.840 26.041 160 H SER 20 H SER 20 4.896 1.765 23.520 161 HA SER 20 HA SER 20 3.782 3.165 25.804 162 HB2 SER 20 HB2 SER 20 6.282 2.861 25.351 163 HB3 SER 20 HB3 SER 20 6.093 4.086 24.097 164 HG SER 20 HG SER 20 6.641 4.637 26.482 165 H ASP 21 H ASP 21 3.607 3.287 22.387 166 HA ASP 21 HA ASP 21 2.980 6.054 22.106 167 HB2 ASP 21 HB2 ASP 21 3.330 3.797 20.382 168 HB3 ASP 21 HB3 ASP 21 1.797 4.571 19.991 169 H LEU 22 H LEU 22 1.245 3.365 23.249 170 HA LEU 22 HA LEU 22 -1.336 4.687 22.775 171 HB2 LEU 22 HB2 LEU 22 -2.109 2.369 23.778 172 HB3 LEU 22 HB3 LEU 22 -1.704 2.562 22.073 173 HG LEU 22 HG LEU 22 0.584 1.792 23.710 174 HD11 LEU 22 HD11 LEU 22 -0.069 -0.353 24.351 175 HD12 LEU 22 HD12 LEU 22 -1.539 -0.298 23.378 176 HD13 LEU 22 HD13 LEU 22 -1.418 0.670 24.847 177 HD21 LEU 22 HD21 LEU 22 0.850 0.156 21.913 178 HD22 LEU 22 HD22 LEU 22 0.581 1.777 21.272 179 HD23 LEU 22 HD23 LEU 22 -0.732 0.599 21.272 180 H GLU 23 H GLU 23 -2.879 4.780 24.531 181 HA GLU 23 HA GLU 23 -1.717 5.751 26.932 182 HB2 GLU 23 HB2 GLU 23 -4.565 5.151 26.142 183 HB3 GLU 23 HB3 GLU 23 -4.135 5.805 27.716 184 HG2 GLU 23 HG2 GLU 23 -3.397 7.825 26.807 185 HG3 GLU 23 HG3 GLU 23 -3.292 7.156 25.180 186 H GLU 24 H GLU 24 -2.150 4.958 29.099 187 HA GLU 24 HA GLU 24 -1.488 2.230 29.394 188 HB2 GLU 24 HB2 GLU 24 -2.706 3.731 31.664 189 HB3 GLU 24 HB3 GLU 24 -1.312 2.660 31.649 190 HG2 GLU 24 HG2 GLU 24 -0.166 4.571 31.866 191 HG3 GLU 24 HG3 GLU 24 -0.380 4.667 30.119 192 H ASN 25 H ASN 25 -4.525 3.973 29.496 193 HA ASN 25 HA ASN 25 -6.047 1.790 30.554 194 HB2 ASN 25 HB2 ASN 25 -6.566 4.536 29.653 195 HB3 ASN 25 HB3 ASN 25 -7.881 3.415 29.315 196 HD21 ASN 25 HD21 ASN 25 -8.946 4.919 30.855 197 HD22 ASN 25 HD22 ASN 25 -8.839 4.547 32.539 198 H ASP 26 H ASP 26 -4.458 1.916 27.788 199 HA ASP 26 HA ASP 26 -6.581 0.612 26.216 200 HB2 ASP 26 HB2 ASP 26 -4.076 2.045 25.313 201 HB3 ASP 26 HB3 ASP 26 -5.116 1.117 24.235 202 H PHE 27 H PHE 27 -3.046 0.498 26.691 203 HA PHE 27 HA PHE 27 -2.703 -2.077 25.617 204 HB2 PHE 27 HB2 PHE 27 -0.549 -1.545 25.894 205 HB3 PHE 27 HB3 PHE 27 -1.055 -0.075 26.721 206 HD1 PHE 27 HD2 PHE 27 -1.063 0.052 29.142 207 HD2 PHE 27 HD1 PHE 27 0.211 -3.471 27.122 208 HE1 PHE 27 HE2 PHE 27 -0.038 -0.766 31.223 209 HE2 PHE 27 HE1 PHE 27 1.237 -4.296 29.201 210 HZ PHE 27 HZ PHE 27 1.115 -2.942 31.255 211 H LYS 28 H LYS 28 -3.365 -0.958 28.890 212 HA LYS 28 HA LYS 28 -2.978 -3.422 30.206 213 HB2 LYS 28 HB2 LYS 28 -3.036 -1.501 31.572 214 HB3 LYS 28 HB3 LYS 28 -4.552 -0.946 30.875 215 HG2 LYS 28 HG2 LYS 28 -4.922 -1.766 33.110 216 HG3 LYS 28 HG3 LYS 28 -5.714 -2.829 31.944 217 HD2 LYS 28 HD2 LYS 28 -4.553 -4.575 32.685 218 HD3 LYS 28 HD3 LYS 28 -3.030 -3.726 32.407 219 HE2 LYS 28 HE2 LYS 28 -4.739 -3.264 34.840 220 HE3 LYS 28 HE3 LYS 28 -3.481 -4.497 34.780 221 HZ1 LYS 28 HZ1 LYS 28 -3.190 -1.562 34.660 222 HZ2 LYS 28 HZ2 LYS 28 -1.974 -2.577 34.067 223 HZ3 LYS 28 HZ3 LYS 28 -2.427 -2.662 35.695 224 H LYS 29 H LYS 29 -5.837 -1.930 28.749 225 HA LYS 29 HA LYS 29 -7.763 -3.758 29.575 226 HB2 LYS 29 HB2 LYS 29 -7.541 -1.670 27.591 227 HB3 LYS 29 HB3 LYS 29 -8.454 -3.030 26.952 228 HG2 LYS 29 HG2 LYS 29 -9.952 -1.436 27.957 229 HG3 LYS 29 HG3 LYS 29 -9.943 -2.925 28.905 230 HD2 LYS 29 HD2 LYS 29 -8.923 -1.942 30.691 231 HD3 LYS 29 HD3 LYS 29 -8.029 -0.798 29.688 232 HE2 LYS 29 HE2 LYS 29 -9.512 0.681 30.524 233 HE3 LYS 29 HE3 LYS 29 -10.549 0.048 29.246 234 HZ1 LYS 29 HZ1 LYS 29 -11.271 -1.641 31.004 235 HZ2 LYS 29 HZ2 LYS 29 -11.860 -0.061 31.138 236 HZ3 LYS 29 HZ3 LYS 29 -10.591 -0.577 32.130 237 H LEU 30 H LEU 30 -5.402 -3.965 26.994 238 HA LEU 30 HA LEU 30 -6.540 -6.324 25.818 239 HB2 LEU 30 HB2 LEU 30 -3.691 -5.631 25.384 240 HB3 LEU 30 HB3 LEU 30 -4.915 -6.157 24.230 241 HG LEU 30 HG LEU 30 -4.587 -3.384 25.372 242 HD11 LEU 30 HD11 LEU 30 -3.604 -4.734 22.993 243 HD12 LEU 30 HD12 LEU 30 -3.119 -3.196 23.707 244 HD13 LEU 30 HD13 LEU 30 -4.510 -3.266 22.624 245 HD21 LEU 30 HD21 LEU 30 -6.826 -3.337 25.061 246 HD22 LEU 30 HD22 LEU 30 -6.812 -4.700 23.942 247 HD23 LEU 30 HD23 LEU 30 -6.356 -3.091 23.379 248 H LYS 31 H LYS 31 -3.559 -5.690 27.670 249 HA LYS 31 HA LYS 31 -2.763 -8.356 27.941 250 HB2 LYS 31 HB2 LYS 31 -2.271 -6.070 29.858 251 HB3 LYS 31 HB3 LYS 31 -1.359 -7.572 29.790 252 HG2 LYS 31 HG2 LYS 31 -1.516 -5.533 27.580 253 HG3 LYS 31 HG3 LYS 31 -0.180 -5.710 28.720 254 HD2 LYS 31 HD2 LYS 31 0.128 -8.039 27.909 255 HD3 LYS 31 HD3 LYS 31 -1.118 -7.741 26.694 256 HE2 LYS 31 HE2 LYS 31 0.357 -5.719 26.033 257 HE3 LYS 31 HE3 LYS 31 1.625 -6.559 26.924 258 HZ1 LYS 31 HZ1 LYS 31 0.780 -8.543 25.423 259 HZ2 LYS 31 HZ2 LYS 31 1.956 -7.453 24.885 260 HZ3 LYS 31 HZ3 LYS 31 0.346 -7.269 24.398 261 H PHE 32 H PHE 32 -5.198 -6.533 29.591 262 HA PHE 32 HA PHE 32 -5.402 -8.204 31.892 263 HB2 PHE 32 HB2 PHE 32 -6.229 -5.849 31.787 264 HB3 PHE 32 HB3 PHE 32 -7.512 -6.389 30.708 265 HD1 PHE 32 HD1 PHE 32 -9.150 -8.119 31.573 266 HD2 PHE 32 HD2 PHE 32 -6.474 -5.981 34.100 267 HE1 PHE 32 HE1 PHE 32 -10.557 -8.663 33.518 268 HE2 PHE 32 HE2 PHE 32 -7.876 -6.523 36.048 269 HZ PHE 32 HZ PHE 32 -9.920 -7.866 35.759 270 H TYR 33 H TYR 33 -7.346 -7.918 28.922 271 HA TYR 33 HA TYR 33 -8.689 -10.431 29.572 272 HB2 TYR 33 HB2 TYR 33 -9.595 -8.079 28.429 273 HB3 TYR 33 HB3 TYR 33 -9.441 -9.163 27.051 274 HD1 TYR 33 HD1 TYR 33 -10.599 -9.541 30.592 275 HD2 TYR 33 HD2 TYR 33 -11.444 -10.126 26.464 276 HE1 TYR 33 HE1 TYR 33 -12.742 -10.590 31.186 277 HE2 TYR 33 HE2 TYR 33 -13.591 -11.176 27.046 278 HH TYR 33 HH TYR 33 -15.018 -10.924 30.006 279 H LEU 34 H LEU 34 -7.031 -8.954 26.781 280 HA LEU 34 HA LEU 34 -6.903 -11.166 25.138 281 HB2 LEU 34 HB2 LEU 34 -5.900 -8.607 25.095 282 HB3 LEU 34 HB3 LEU 34 -4.443 -9.599 25.123 283 HG LEU 34 HG LEU 34 -5.588 -10.852 23.145 284 HD11 LEU 34 HD11 LEU 34 -7.733 -9.567 23.483 285 HD12 LEU 34 HD12 LEU 34 -7.103 -9.598 21.837 286 HD13 LEU 34 HD13 LEU 34 -6.890 -8.159 22.834 287 HD21 LEU 34 HD21 LEU 34 -4.773 -8.757 21.681 288 HD22 LEU 34 HD22 LEU 34 -3.663 -9.875 22.474 289 HD23 LEU 34 HD23 LEU 34 -4.052 -8.331 23.233 290 H ARG 35 H ARG 35 -4.330 -10.079 27.362 291 HA ARG 35 HA ARG 35 -2.698 -12.335 27.046 292 HB2 ARG 35 HB2 ARG 35 -2.723 -9.965 28.650 293 HB3 ARG 35 HB3 ARG 35 -2.359 -11.341 29.682 294 HG2 ARG 35 HG2 ARG 35 -0.907 -11.059 27.099 295 HG3 ARG 35 HG3 ARG 35 -0.455 -10.028 28.458 296 HD2 ARG 35 HD2 ARG 35 -0.761 -12.701 29.397 297 HD3 ARG 35 HD3 ARG 35 0.273 -12.720 27.969 298 HE ARG 35 HE ARG 35 1.873 -11.505 29.128 299 HH11 ARG 35 HH11 ARG 35 -1.036 -11.839 31.012 300 HH12 ARG 35 HH12 ARG 35 -0.298 -11.307 32.486 301 HH21 ARG 35 HH21 ARG 35 2.856 -10.803 31.063 302 HH22 ARG 35 HH22 ARG 35 1.915 -10.716 32.514 303 H ASP 36 H ASP 36 -5.305 -11.646 29.324 304 HA ASP 36 HA ASP 36 -5.045 -13.692 31.126 305 HB2 ASP 36 HB2 ASP 36 -7.171 -11.968 30.227 306 HB3 ASP 36 HB3 ASP 36 -7.799 -13.582 30.547 307 H MET 37 H MET 37 -6.719 -13.848 27.989 308 HA MET 37 HA MET 37 -7.021 -16.728 28.250 309 HB2 MET 37 HB2 MET 37 -8.669 -14.931 27.173 310 HB3 MET 37 HB3 MET 37 -7.730 -15.303 25.734 311 HG2 MET 37 HG2 MET 37 -8.231 -17.771 26.372 312 HG3 MET 37 HG3 MET 37 -9.533 -17.064 27.326 313 HE1 MET 37 HE1 MET 37 -10.589 -18.918 25.863 314 HE2 MET 37 HE2 MET 37 -11.930 -17.774 25.805 315 HE3 MET 37 HE3 MET 37 -11.379 -18.563 24.326 316 H THR 38 H THR 38 -5.766 -14.587 25.683 317 HA THR 38 HA THR 38 -4.488 -16.381 24.103 318 HB THR 38 HB THR 38 -2.951 -14.646 23.413 319 HG1 THR 38 HG1 THR 38 -2.738 -12.740 24.641 320 HG21 THR 38 HG21 THR 38 -4.816 -13.927 22.386 321 HG22 THR 38 HG22 THR 38 -4.820 -12.652 23.605 322 HG23 THR 38 HG23 THR 38 -5.795 -14.102 23.841 323 H LEU 39 H LEU 39 -3.262 -15.043 27.139 324 HA LEU 39 HA LEU 39 -1.168 -17.114 27.109 325 HB2 LEU 39 HB2 LEU 39 -1.018 -14.253 28.011 326 HB3 LEU 39 HB3 LEU 39 0.136 -15.468 28.557 327 HG LEU 39 HG LEU 39 0.368 -15.814 25.911 328 HD11 LEU 39 HD11 LEU 39 0.507 -13.118 25.370 329 HD12 LEU 39 HD12 LEU 39 -1.015 -13.280 26.245 330 HD13 LEU 39 HD13 LEU 39 -0.730 -14.234 24.789 331 HD21 LEU 39 HD21 LEU 39 2.454 -15.068 26.258 332 HD22 LEU 39 HD22 LEU 39 1.936 -14.886 27.934 333 HD23 LEU 39 HD23 LEU 39 1.903 -13.498 26.845 334 H SER 40 H SER 40 -1.437 -14.975 29.788 335 HA SER 40 HA SER 40 -3.352 -16.354 31.327 336 HB2 SER 40 HB2 SER 40 -1.075 -17.065 32.833 337 HB3 SER 40 HB3 SER 40 -2.215 -18.149 32.036 338 HG SER 40 HG SER 40 -0.084 -18.521 31.326 339 H GLU 41 H GLU 41 -2.531 -16.004 33.865 340 HA GLU 41 HA GLU 41 -2.501 -13.138 34.100 341 HB2 GLU 41 HB2 GLU 41 -3.325 -15.324 35.707 342 HB3 GLU 41 HB3 GLU 41 -2.122 -14.432 36.626 343 HG2 GLU 41 HG2 GLU 41 -3.388 -12.416 36.465 344 HG3 GLU 41 HG3 GLU 41 -4.521 -13.159 35.337 345 H GLY 42 H GLY 42 -1.067 -12.529 36.286 346 HA2 GLY 42 HA2 GLY 42 1.216 -13.025 37.177 347 HA3 GLY 42 HA3 GLY 42 1.700 -13.204 35.497 348 H GLN 43 H GLN 43 -0.487 -10.731 36.709 349 HA GLN 43 HA GLN 43 1.618 -8.714 36.484 350 HB2 GLN 43 HB2 GLN 43 -1.023 -8.143 35.202 351 HB3 GLN 43 HB3 GLN 43 0.546 -7.411 34.893 352 HG2 GLN 43 HG2 GLN 43 1.286 -9.458 33.787 353 HG3 GLN 43 HG3 GLN 43 -0.288 -10.191 34.096 354 HE21 GLN 43 HE21 GLN 43 -2.089 -9.463 32.952 355 HE22 GLN 43 HE22 GLN 43 -1.937 -8.546 31.496 356 HA PRO 44 HA PRO 44 -0.297 -6.844 39.958 357 HB2 PRO 44 HB2 PRO 44 0.093 -4.202 39.473 358 HB3 PRO 44 HB3 PRO 44 1.401 -5.297 39.935 359 HG2 PRO 44 HG2 PRO 44 0.633 -4.302 37.218 360 HG3 PRO 44 HG3 PRO 44 2.248 -4.475 37.930 361 HD2 PRO 44 HD2 PRO 44 1.221 -6.280 36.193 362 HD3 PRO 44 HD3 PRO 44 2.333 -6.738 37.499 363 HA PRO 45 HA PRO 45 -4.414 -5.492 39.214 364 HB2 PRO 45 HB2 PRO 45 -4.805 -3.585 41.105 365 HB3 PRO 45 HB3 PRO 45 -4.690 -5.307 41.487 366 HG2 PRO 45 HG2 PRO 45 -2.598 -3.176 41.699 367 HG3 PRO 45 HG3 PRO 45 -2.988 -4.477 42.838 368 HD2 PRO 45 HD2 PRO 45 -0.896 -4.618 41.125 369 HD3 PRO 45 HD3 PRO 45 -1.809 -6.052 41.637 370 H LEU 46 H LEU 46 -5.821 -3.506 38.858 371 HA LEU 46 HA LEU 46 -4.969 -2.039 36.705 372 HB2 LEU 46 HB2 LEU 46 -6.962 -1.151 38.785 373 HB3 LEU 46 HB3 LEU 46 -6.824 -0.516 37.147 374 HG LEU 46 HG LEU 46 -7.513 -3.385 37.757 375 HD11 LEU 46 HD11 LEU 46 -9.142 -0.996 37.966 376 HD12 LEU 46 HD12 LEU 46 -9.496 -2.654 38.451 377 HD13 LEU 46 HD13 LEU 46 -9.783 -2.142 36.788 378 HD21 LEU 46 HD21 LEU 46 -7.324 -1.701 35.308 379 HD22 LEU 46 HD22 LEU 46 -8.547 -2.970 35.374 380 HD23 LEU 46 HD23 LEU 46 -6.841 -3.377 35.567 381 H ALA 47 H ALA 47 -3.354 -0.648 36.508 382 HA ALA 47 HA ALA 47 -3.057 1.507 38.438 383 HB1 ALA 47 HB1 ALA 47 -1.568 -0.600 38.988 384 HB2 ALA 47 HB2 ALA 47 -0.535 0.095 37.738 385 HB3 ALA 47 HB3 ALA 47 -0.944 1.040 39.170 386 H ARG 48 H ARG 48 -3.412 3.109 37.002 387 HA ARG 48 HA ARG 48 -2.689 3.145 34.312 388 HB2 ARG 48 HB2 ARG 48 -3.167 5.499 34.347 389 HB3 ARG 48 HB3 ARG 48 -4.313 4.692 35.410 390 HG2 ARG 48 HG2 ARG 48 -2.926 5.350 37.345 391 HG3 ARG 48 HG3 ARG 48 -1.870 6.239 36.246 392 HD2 ARG 48 HD2 ARG 48 -3.485 7.833 35.778 393 HD3 ARG 48 HD3 ARG 48 -4.811 6.775 36.259 394 HE ARG 48 HE ARG 48 -3.388 7.189 38.555 395 HH11 ARG 48 HH11 ARG 48 -4.933 9.237 36.202 396 HH12 ARG 48 HH12 ARG 48 -5.296 10.492 37.340 397 HH21 ARG 48 HH21 ARG 48 -3.859 8.834 40.063 398 HH22 ARG 48 HH22 ARG 48 -4.684 10.262 39.536 399 H GLY 49 H GLY 49 -0.776 3.633 37.130 400 HA2 GLY 49 HA2 GLY 49 1.312 5.134 35.831 401 HA3 GLY 49 HA3 GLY 49 1.378 4.425 37.438 402 H GLU 50 H GLU 50 0.380 1.989 35.514 403 HA GLU 50 HA GLU 50 2.825 0.588 35.666 404 HB2 GLU 50 HB2 GLU 50 0.176 0.088 34.379 405 HB3 GLU 50 HB3 GLU 50 1.537 -0.929 33.928 406 HG2 GLU 50 HG2 GLU 50 1.106 -0.551 36.818 407 HG3 GLU 50 HG3 GLU 50 -0.125 -1.473 35.958 408 H LEU 51 H LEU 51 1.201 2.273 33.016 409 HA LEU 51 HA LEU 51 3.514 1.759 31.286 410 HB2 LEU 51 HB2 LEU 51 1.363 1.190 30.336 411 HB3 LEU 51 HB3 LEU 51 0.761 2.814 30.660 412 HG LEU 51 HG LEU 51 3.123 2.470 28.868 413 HD11 LEU 51 HD11 LEU 51 0.852 2.580 27.232 414 HD12 LEU 51 HD12 LEU 51 0.554 1.286 28.392 415 HD13 LEU 51 HD13 LEU 51 2.004 1.254 27.390 416 HD21 LEU 51 HD21 LEU 51 1.596 4.613 29.759 417 HD22 LEU 51 HD22 LEU 51 1.046 4.334 28.107 418 HD23 LEU 51 HD23 LEU 51 2.757 4.621 28.431 419 H GLU 52 H GLU 52 1.555 4.363 32.644 420 HA GLU 52 HA GLU 52 3.021 6.462 31.378 421 HB2 GLU 52 HB2 GLU 52 0.685 6.719 32.163 422 HB3 GLU 52 HB3 GLU 52 1.247 6.579 33.823 423 HG2 GLU 52 HG2 GLU 52 0.892 8.888 33.303 424 HG3 GLU 52 HG3 GLU 52 2.620 8.600 33.495 425 H GLY 53 H GLY 53 2.896 5.306 34.754 426 HA2 GLY 53 HA2 GLY 53 5.022 6.940 35.655 427 HA3 GLY 53 HA3 GLY 53 4.400 5.516 36.476 428 H LEU 54 H LEU 54 4.995 3.423 35.046 429 HA LEU 54 HA LEU 54 7.837 3.230 35.241 430 HB2 LEU 54 HB2 LEU 54 6.114 1.181 33.905 431 HB3 LEU 54 HB3 LEU 54 7.578 0.950 34.860 432 HG LEU 54 HG LEU 54 4.811 1.589 35.869 433 HD11 LEU 54 HD11 LEU 54 5.987 -0.821 35.268 434 HD12 LEU 54 HD12 LEU 54 4.630 -0.576 36.366 435 HD13 LEU 54 HD13 LEU 54 6.273 -0.657 37.000 436 HD21 LEU 54 HD21 LEU 54 7.440 2.041 37.076 437 HD22 LEU 54 HD22 LEU 54 6.335 1.099 38.077 438 HD23 LEU 54 HD23 LEU 54 5.861 2.700 37.508 439 H ILE 55 H ILE 55 8.613 1.614 33.180 440 HA ILE 55 HA ILE 55 8.277 3.326 30.804 441 HB ILE 55 HB ILE 55 10.623 2.635 30.189 442 HG12 ILE 55 HG12 ILE 55 10.552 1.645 33.039 443 HG13 ILE 55 HG13 ILE 55 10.975 0.737 31.592 444 HG21 ILE 55 HG21 ILE 55 10.572 4.184 32.758 445 HG22 ILE 55 HG22 ILE 55 11.600 4.421 31.345 446 HG23 ILE 55 HG23 ILE 55 9.886 4.832 31.268 447 HD11 ILE 55 HD11 ILE 55 13.079 1.133 32.198 448 HD12 ILE 55 HD12 ILE 55 12.810 2.756 31.561 449 HD13 ILE 55 HD13 ILE 55 12.619 2.442 33.286 450 HA PRO 56 HA PRO 56 7.235 -0.217 28.435 451 HB2 PRO 56 HB2 PRO 56 8.470 0.284 26.070 452 HB3 PRO 56 HB3 PRO 56 7.045 1.174 26.617 453 HG2 PRO 56 HG2 PRO 56 9.932 1.956 26.747 454 HG3 PRO 56 HG3 PRO 56 8.526 2.938 26.296 455 HD2 PRO 56 HD2 PRO 56 9.666 3.067 28.748 456 HD3 PRO 56 HD3 PRO 56 7.928 3.316 28.489 457 H VAL 57 H VAL 57 10.678 0.644 28.293 458 HA VAL 57 HA VAL 57 11.611 -1.854 27.381 459 HB VAL 57 HB VAL 57 13.061 0.218 29.035 460 HG11 VAL 57 HG11 VAL 57 13.975 -2.257 27.622 461 HG12 VAL 57 HG12 VAL 57 15.065 -0.885 27.828 462 HG13 VAL 57 HG13 VAL 57 14.374 -1.684 29.241 463 HG21 VAL 57 HG21 VAL 57 14.009 0.330 26.451 464 HG22 VAL 57 HG22 VAL 57 12.275 0.093 26.235 465 HG23 VAL 57 HG23 VAL 57 12.866 1.456 27.184 466 H ASP 58 H ASP 58 10.454 -0.832 30.433 467 HA ASP 58 HA ASP 58 11.786 -2.997 31.867 468 HB2 ASP 58 HB2 ASP 58 10.126 -0.637 32.703 469 HB3 ASP 58 HB3 ASP 58 10.387 -1.981 33.812 470 H LEU 59 H LEU 59 8.434 -1.822 31.509 471 HA LEU 59 HA LEU 59 7.180 -4.083 32.551 472 HB2 LEU 59 HB2 LEU 59 5.397 -2.811 32.239 473 HB3 LEU 59 HB3 LEU 59 6.406 -1.657 31.369 474 HG LEU 59 HG LEU 59 5.155 -3.989 29.956 475 HD11 LEU 59 HD11 LEU 59 3.289 -2.948 31.005 476 HD12 LEU 59 HD12 LEU 59 3.321 -2.409 29.327 477 HD13 LEU 59 HD13 LEU 59 3.887 -1.337 30.608 478 HD21 LEU 59 HD21 LEU 59 5.388 -1.428 28.602 479 HD22 LEU 59 HD22 LEU 59 5.951 -3.025 28.109 480 HD23 LEU 59 HD23 LEU 59 6.939 -2.033 29.183 481 H ALA 60 H ALA 60 8.324 -3.391 29.302 482 HA ALA 60 HA ALA 60 7.064 -5.515 27.960 483 HB1 ALA 60 HB1 ALA 60 9.692 -4.177 27.327 484 HB2 ALA 60 HB2 ALA 60 8.753 -5.185 26.224 485 HB3 ALA 60 HB3 ALA 60 8.099 -3.646 26.785 486 H GLU 61 H GLU 61 10.216 -5.305 29.573 487 HA GLU 61 HA GLU 61 11.233 -7.792 28.876 488 HB2 GLU 61 HB2 GLU 61 11.712 -5.833 31.022 489 HB3 GLU 61 HB3 GLU 61 12.183 -7.481 31.412 490 HG2 GLU 61 HG2 GLU 61 13.052 -6.599 28.768 491 HG3 GLU 61 HG3 GLU 61 13.728 -5.661 30.099 492 H LEU 62 H LEU 62 8.967 -6.910 31.422 493 HA LEU 62 HA LEU 62 8.933 -9.484 32.655 494 HB2 LEU 62 HB2 LEU 62 8.286 -7.716 34.037 495 HB3 LEU 62 HB3 LEU 62 7.198 -7.047 32.822 496 HG LEU 62 HG LEU 62 6.530 -9.725 33.907 497 HD11 LEU 62 HD11 LEU 62 6.641 -7.236 35.529 498 HD12 LEU 62 HD12 LEU 62 6.908 -8.912 36.007 499 HD13 LEU 62 HD13 LEU 62 5.267 -8.322 35.744 500 HD21 LEU 62 HD21 LEU 62 5.252 -7.512 32.537 501 HD22 LEU 62 HD22 LEU 62 4.332 -8.042 33.946 502 HD23 LEU 62 HD23 LEU 62 4.749 -9.197 32.679 503 H LEU 63 H LEU 63 6.805 -7.814 30.360 504 HA LEU 63 HA LEU 63 4.823 -9.768 30.160 505 HB2 LEU 63 HB2 LEU 63 5.300 -7.325 29.021 506 HB3 LEU 63 HB3 LEU 63 5.464 -8.415 27.646 507 HG LEU 63 HG LEU 63 3.214 -7.542 27.754 508 HD11 LEU 63 HD11 LEU 63 3.301 -9.718 26.864 509 HD12 LEU 63 HD12 LEU 63 1.971 -9.736 28.022 510 HD13 LEU 63 HD13 LEU 63 3.526 -10.447 28.454 511 HD21 LEU 63 HD21 LEU 63 3.545 -7.627 30.487 512 HD22 LEU 63 HD22 LEU 63 2.384 -8.919 30.179 513 HD23 LEU 63 HD23 LEU 63 2.042 -7.276 29.634 514 H ILE 64 H ILE 64 7.714 -9.293 28.134 515 HA ILE 64 HA ILE 64 7.329 -11.499 26.458 516 HB ILE 64 HB ILE 64 9.686 -11.335 25.900 517 HG12 ILE 64 HG12 ILE 64 9.930 -9.357 28.174 518 HG13 ILE 64 HG13 ILE 64 10.471 -11.030 28.263 519 HG21 ILE 64 HG21 ILE 64 9.326 -8.491 26.117 520 HG22 ILE 64 HG22 ILE 64 9.240 -9.526 24.693 521 HG23 ILE 64 HG23 ILE 64 7.807 -9.277 25.689 522 HD11 ILE 64 HD11 ILE 64 11.482 -9.344 26.041 523 HD12 ILE 64 HD12 ILE 64 12.120 -9.078 27.664 524 HD13 ILE 64 HD13 ILE 64 12.263 -10.665 26.909 525 H SER 65 H SER 65 8.564 -11.272 29.699 526 HA SER 65 HA SER 65 9.792 -13.867 29.716 527 HB2 SER 65 HB2 SER 65 10.358 -11.859 31.228 528 HB3 SER 65 HB3 SER 65 8.945 -12.335 32.170 529 HG SER 65 HG SER 65 11.342 -13.290 32.409 530 H LYS 66 H LYS 66 6.620 -12.619 30.229 531 HA LYS 66 HA LYS 66 5.446 -14.435 31.924 532 HB2 LYS 66 HB2 LYS 66 4.182 -12.573 31.108 533 HB3 LYS 66 HB3 LYS 66 4.340 -13.119 29.444 534 HG2 LYS 66 HG2 LYS 66 2.131 -13.612 30.144 535 HG3 LYS 66 HG3 LYS 66 3.009 -15.142 30.073 536 HD2 LYS 66 HD2 LYS 66 3.406 -14.199 32.668 537 HD3 LYS 66 HD3 LYS 66 1.709 -13.866 32.316 538 HE2 LYS 66 HE2 LYS 66 1.278 -15.998 32.776 539 HE3 LYS 66 HE3 LYS 66 2.171 -16.430 31.319 540 HZ1 LYS 66 HZ1 LYS 66 4.200 -16.205 32.920 541 HZ2 LYS 66 HZ2 LYS 66 3.287 -17.628 32.891 542 HZ3 LYS 66 HZ3 LYS 66 3.042 -16.492 34.119 543 H TYR 67 H TYR 67 5.354 -14.725 28.367 544 HA TYR 67 HA TYR 67 5.536 -17.644 28.689 545 HB2 TYR 67 HB2 TYR 67 3.191 -16.555 28.091 546 HB3 TYR 67 HB3 TYR 67 3.878 -16.530 26.471 547 HD1 TYR 67 HD1 TYR 67 3.970 -19.010 29.272 548 HD2 TYR 67 HD2 TYR 67 3.017 -18.245 25.197 549 HE1 TYR 67 HE1 TYR 67 3.348 -21.372 28.981 550 HE2 TYR 67 HE2 TYR 67 2.392 -20.605 24.894 551 HH TYR 67 HH TYR 67 3.083 -22.863 26.125 552 H GLY 68 H GLY 68 5.970 -14.845 26.576 553 HA2 GLY 68 HA2 GLY 68 8.460 -15.695 25.602 554 HA3 GLY 68 HA3 GLY 68 7.231 -16.170 24.439 555 H GLU 69 H GLU 69 9.451 -14.187 24.292 556 HA GLU 69 HA GLU 69 8.362 -11.575 24.323 557 HB2 GLU 69 HB2 GLU 69 10.352 -10.970 22.972 558 HB3 GLU 69 HB3 GLU 69 10.754 -11.896 24.411 559 HG2 GLU 69 HG2 GLU 69 11.318 -13.781 23.205 560 HG3 GLU 69 HG3 GLU 69 10.376 -13.288 21.799 561 H LYS 70 H LYS 70 8.329 -14.148 21.989 562 HA LYS 70 HA LYS 70 7.767 -12.681 19.664 563 HB2 LYS 70 HB2 LYS 70 7.088 -15.497 20.496 564 HB3 LYS 70 HB3 LYS 70 6.660 -14.858 18.914 565 HG2 LYS 70 HG2 LYS 70 9.455 -15.043 20.022 566 HG3 LYS 70 HG3 LYS 70 8.732 -16.157 18.860 567 HD2 LYS 70 HD2 LYS 70 9.218 -13.207 18.446 568 HD3 LYS 70 HD3 LYS 70 10.137 -14.529 17.722 569 HE2 LYS 70 HE2 LYS 70 7.607 -15.189 16.996 570 HE3 LYS 70 HE3 LYS 70 7.506 -13.429 17.003 571 HZ1 LYS 70 HZ1 LYS 70 9.450 -13.375 15.536 572 HZ2 LYS 70 HZ2 LYS 70 8.158 -14.214 14.837 573 HZ3 LYS 70 HZ3 LYS 70 9.467 -15.066 15.487 574 H GLU 71 H GLU 71 5.342 -14.750 21.224 575 HA GLU 71 HA GLU 71 3.114 -13.518 20.176 576 HB2 GLU 71 HB2 GLU 71 1.890 -14.458 22.172 577 HB3 GLU 71 HB3 GLU 71 2.854 -15.615 21.265 578 HG2 GLU 71 HG2 GLU 71 4.226 -14.309 23.514 579 HG3 GLU 71 HG3 GLU 71 2.894 -15.381 23.945 580 H ALA 72 H ALA 72 5.120 -12.498 22.819 581 HA ALA 72 HA ALA 72 3.497 -10.828 24.270 582 HB1 ALA 72 HB1 ALA 72 5.470 -10.588 25.265 583 HB2 ALA 72 HB2 ALA 72 6.333 -11.094 23.812 584 HB3 ALA 72 HB3 ALA 72 5.877 -9.403 24.023 585 H VAL 73 H VAL 73 5.552 -9.704 21.574 586 HA VAL 73 HA VAL 73 4.411 -7.170 21.347 587 HB VAL 73 HB VAL 73 5.841 -8.887 19.327 588 HG11 VAL 73 HG11 VAL 73 4.461 -6.289 18.962 589 HG12 VAL 73 HG12 VAL 73 6.048 -6.478 18.215 590 HG13 VAL 73 HG13 VAL 73 4.744 -7.595 17.812 591 HG21 VAL 73 HG21 VAL 73 7.524 -8.202 20.655 592 HG22 VAL 73 HG22 VAL 73 7.370 -6.692 19.757 593 HG23 VAL 73 HG23 VAL 73 6.590 -6.867 21.329 594 H LYS 74 H LYS 74 3.490 -10.236 19.879 595 HA LYS 74 HA LYS 74 1.608 -9.227 18.041 596 HB2 LYS 74 HB2 LYS 74 2.303 -11.448 17.694 597 HB3 LYS 74 HB3 LYS 74 1.984 -11.902 19.363 598 HG2 LYS 74 HG2 LYS 74 -0.474 -11.451 18.826 599 HG3 LYS 74 HG3 LYS 74 0.029 -11.469 17.134 600 HD2 LYS 74 HD2 LYS 74 0.510 -13.708 17.160 601 HD3 LYS 74 HD3 LYS 74 0.893 -13.716 18.883 602 HE2 LYS 74 HE2 LYS 74 -1.870 -13.019 18.445 603 HE3 LYS 74 HE3 LYS 74 -1.481 -14.551 17.664 604 HZ1 LYS 74 HZ1 LYS 74 -0.855 -13.932 20.498 605 HZ2 LYS 74 HZ2 LYS 74 -0.706 -15.428 19.725 606 HZ3 LYS 74 HZ3 LYS 74 -2.239 -14.767 19.997 607 H VAL 75 H VAL 75 1.350 -10.164 21.428 608 HA VAL 75 HA VAL 75 -1.460 -10.051 21.631 609 HB VAL 75 HB VAL 75 0.624 -9.581 23.769 610 HG11 VAL 75 HG11 VAL 75 -1.240 -10.244 25.313 611 HG12 VAL 75 HG12 VAL 75 -1.438 -8.670 24.540 612 HG13 VAL 75 HG13 VAL 75 -2.344 -10.064 23.949 613 HG21 VAL 75 HG21 VAL 75 0.876 -11.795 23.932 614 HG22 VAL 75 HG22 VAL 75 -0.859 -12.087 23.808 615 HG23 VAL 75 HG23 VAL 75 0.107 -11.882 22.347 616 H VAL 76 H VAL 76 0.935 -7.595 21.426 617 HA VAL 76 HA VAL 76 -0.658 -5.524 22.646 618 HB VAL 76 HB VAL 76 2.022 -5.682 21.394 619 HG11 VAL 76 HG11 VAL 76 0.319 -3.209 21.334 620 HG12 VAL 76 HG12 VAL 76 2.082 -3.131 21.369 621 HG13 VAL 76 HG13 VAL 76 1.259 -3.932 20.030 622 HG21 VAL 76 HG21 VAL 76 2.248 -5.663 23.655 623 HG22 VAL 76 HG22 VAL 76 2.247 -3.920 23.384 624 HG23 VAL 76 HG23 VAL 76 0.772 -4.732 23.907 625 H LEU 77 H LEU 77 0.454 -6.219 19.331 626 HA LEU 77 HA LEU 77 -1.066 -4.169 18.116 627 HB2 LEU 77 HB2 LEU 77 -0.604 -5.372 16.013 628 HB3 LEU 77 HB3 LEU 77 0.836 -5.092 16.988 629 HG LEU 77 HG LEU 77 0.151 -7.589 17.795 630 HD11 LEU 77 HD11 LEU 77 -0.170 -8.011 14.920 631 HD12 LEU 77 HD12 LEU 77 -1.549 -7.231 15.693 632 HD13 LEU 77 HD13 LEU 77 -0.974 -8.791 16.282 633 HD21 LEU 77 HD21 LEU 77 1.993 -6.495 15.734 634 HD22 LEU 77 HD22 LEU 77 1.815 -8.246 15.853 635 HD23 LEU 77 HD23 LEU 77 2.352 -7.316 17.253 636 H LYS 78 H LYS 78 -1.633 -7.662 18.449 637 HA LYS 78 HA LYS 78 -4.019 -7.862 17.061 638 HB2 LYS 78 HB2 LYS 78 -2.549 -9.670 18.254 639 HB3 LYS 78 HB3 LYS 78 -3.629 -9.386 19.612 640 HG2 LYS 78 HG2 LYS 78 -5.409 -9.712 17.595 641 HG3 LYS 78 HG3 LYS 78 -4.104 -10.783 17.079 642 HD2 LYS 78 HD2 LYS 78 -5.297 -12.224 18.396 643 HD3 LYS 78 HD3 LYS 78 -4.205 -11.547 19.605 644 HE2 LYS 78 HE2 LYS 78 -5.912 -9.979 20.311 645 HE3 LYS 78 HE3 LYS 78 -6.997 -10.551 19.044 646 HZ1 LYS 78 HZ1 LYS 78 -5.940 -12.374 21.118 647 HZ2 LYS 78 HZ2 LYS 78 -7.285 -12.588 20.115 648 HZ3 LYS 78 HZ3 LYS 78 -7.341 -11.460 21.374 649 H GLY 79 H GLY 79 -3.474 -6.914 20.429 650 HA2 GLY 79 HA2 GLY 79 -6.316 -6.576 20.906 651 HA3 GLY 79 HA3 GLY 79 -5.019 -6.265 22.050 652 H LEU 80 H LEU 80 -3.777 -4.670 19.674 653 HA LEU 80 HA LEU 80 -4.719 -2.126 20.576 654 HB2 LEU 80 HB2 LEU 80 -2.530 -3.154 19.018 655 HB3 LEU 80 HB3 LEU 80 -3.251 -1.760 18.217 656 HG LEU 80 HG LEU 80 -2.792 -0.354 20.091 657 HD11 LEU 80 HD11 LEU 80 -2.839 -1.182 22.146 658 HD12 LEU 80 HD12 LEU 80 -1.275 -1.937 21.841 659 HD13 LEU 80 HD13 LEU 80 -2.762 -2.832 21.528 660 HD21 LEU 80 HD21 LEU 80 -0.671 -1.946 18.860 661 HD22 LEU 80 HD22 LEU 80 -0.203 -1.179 20.377 662 HD23 LEU 80 HD23 LEU 80 -0.819 -0.198 19.046 663 H LYS 81 H LYS 81 -5.338 -4.177 17.818 664 HA LYS 81 HA LYS 81 -6.458 -2.392 16.027 665 HB2 LYS 81 HB2 LYS 81 -6.900 -5.289 16.611 666 HB3 LYS 81 HB3 LYS 81 -7.997 -4.475 15.503 667 HG2 LYS 81 HG2 LYS 81 -5.036 -4.287 15.125 668 HG3 LYS 81 HG3 LYS 81 -5.935 -5.697 14.559 669 HD2 LYS 81 HD2 LYS 81 -7.475 -4.014 13.394 670 HD3 LYS 81 HD3 LYS 81 -6.203 -2.829 13.701 671 HE2 LYS 81 HE2 LYS 81 -4.618 -4.143 12.443 672 HE3 LYS 81 HE3 LYS 81 -5.798 -5.438 12.241 673 HZ1 LYS 81 HZ1 LYS 81 -5.526 -2.947 10.800 674 HZ2 LYS 81 HZ2 LYS 81 -7.115 -3.332 11.233 675 HZ3 LYS 81 HZ3 LYS 81 -6.206 -4.416 10.306 676 H VAL 82 H VAL 82 -8.230 -4.330 18.446 677 HA VAL 82 HA VAL 82 -10.729 -3.162 18.065 678 HB VAL 82 HB VAL 82 -9.852 -5.177 19.615 679 HG11 VAL 82 HG11 VAL 82 -8.894 -3.530 21.239 680 HG12 VAL 82 HG12 VAL 82 -10.544 -3.019 21.600 681 HG13 VAL 82 HG13 VAL 82 -10.038 -4.675 21.939 682 HG21 VAL 82 HG21 VAL 82 -12.363 -3.652 19.417 683 HG22 VAL 82 HG22 VAL 82 -12.060 -5.374 19.192 684 HG23 VAL 82 HG23 VAL 82 -12.224 -4.714 20.818 685 H MET 83 H MET 83 -7.942 -1.718 19.214 686 HA MET 83 HA MET 83 -9.423 0.270 20.791 687 HB2 MET 83 HB2 MET 83 -7.315 -0.956 21.673 688 HB3 MET 83 HB3 MET 83 -6.429 0.128 20.609 689 HG2 MET 83 HG2 MET 83 -6.363 1.320 22.544 690 HG3 MET 83 HG3 MET 83 -7.841 1.967 21.834 691 HE1 MET 83 HE1 MET 83 -7.791 -1.742 23.817 692 HE2 MET 83 HE2 MET 83 -6.334 -0.751 23.888 693 HE3 MET 83 HE3 MET 83 -7.362 -0.913 25.313 694 H ASN 84 H ASN 84 -8.546 -0.198 17.705 695 HA ASN 84 HA ASN 84 -8.316 1.148 15.886 696 HB2 ASN 84 HB2 ASN 84 -9.640 2.850 17.889 697 HB3 ASN 84 HB3 ASN 84 -8.793 3.738 16.626 698 HD21 ASN 84 HD21 ASN 84 -11.647 2.302 17.472 699 HD22 ASN 84 HD22 ASN 84 -12.356 2.146 15.904 700 H LEU 85 H LEU 85 -6.047 0.614 17.613 701 HA LEU 85 HA LEU 85 -4.469 3.055 17.555 702 HB2 LEU 85 HB2 LEU 85 -4.278 0.423 18.833 703 HB3 LEU 85 HB3 LEU 85 -2.739 1.079 18.279 704 HG LEU 85 HG LEU 85 -2.866 1.764 20.495 705 HD11 LEU 85 HD11 LEU 85 -4.163 4.145 19.231 706 HD12 LEU 85 HD12 LEU 85 -2.562 3.614 18.717 707 HD13 LEU 85 HD13 LEU 85 -2.840 4.078 20.396 708 HD21 LEU 85 HD21 LEU 85 -5.778 2.032 19.945 709 HD22 LEU 85 HD22 LEU 85 -5.064 3.025 21.217 710 HD23 LEU 85 HD23 LEU 85 -4.948 1.266 21.300 711 H LEU 86 H LEU 86 -5.406 1.615 15.088 712 HA LEU 86 HA LEU 86 -3.317 0.295 13.802 713 HB2 LEU 86 HB2 LEU 86 -4.441 0.816 11.735 714 HB3 LEU 86 HB3 LEU 86 -5.624 0.388 12.970 715 HG LEU 86 HG LEU 86 -5.672 3.057 13.225 716 HD11 LEU 86 HD11 LEU 86 -3.979 2.972 11.190 717 HD12 LEU 86 HD12 LEU 86 -5.191 4.243 11.346 718 HD13 LEU 86 HD13 LEU 86 -5.481 2.875 10.271 719 HD21 LEU 86 HD21 LEU 86 -7.221 1.074 11.710 720 HD22 LEU 86 HD22 LEU 86 -7.480 2.751 11.229 721 HD23 LEU 86 HD23 LEU 86 -7.749 2.262 12.902 722 H GLU 87 H GLU 87 -3.646 3.599 14.636 723 HA GLU 87 HA GLU 87 -2.195 4.911 12.678 724 HB2 GLU 87 HB2 GLU 87 -3.283 6.189 14.374 725 HB3 GLU 87 HB3 GLU 87 -2.370 5.395 15.650 726 HG2 GLU 87 HG2 GLU 87 -0.643 6.788 15.445 727 HG3 GLU 87 HG3 GLU 87 -0.690 6.740 13.683 728 H LEU 88 H LEU 88 -0.689 4.364 15.833 729 HA LEU 88 HA LEU 88 1.926 4.336 14.766 730 HB2 LEU 88 HB2 LEU 88 2.665 4.098 16.931 731 HB3 LEU 88 HB3 LEU 88 1.087 4.848 17.162 732 HG LEU 88 HG LEU 88 1.375 3.148 18.820 733 HD11 LEU 88 HD11 LEU 88 -0.380 1.538 17.166 734 HD12 LEU 88 HD12 LEU 88 -0.756 3.257 17.068 735 HD13 LEU 88 HD13 LEU 88 -0.729 2.449 18.635 736 HD21 LEU 88 HD21 LEU 88 2.394 1.187 18.496 737 HD22 LEU 88 HD22 LEU 88 2.914 1.859 16.950 738 HD23 LEU 88 HD23 LEU 88 1.471 0.846 17.032 739 H VAL 89 H VAL 89 -0.433 1.851 15.307 740 HA VAL 89 HA VAL 89 1.234 -0.404 15.389 741 HB VAL 89 HB VAL 89 -1.626 0.051 14.681 742 HG11 VAL 89 HG11 VAL 89 -1.130 -1.498 12.980 743 HG12 VAL 89 HG12 VAL 89 -0.060 -2.431 14.029 744 HG13 VAL 89 HG13 VAL 89 -1.803 -2.456 14.298 745 HG21 VAL 89 HG21 VAL 89 -0.040 -1.206 16.826 746 HG22 VAL 89 HG22 VAL 89 -1.560 -0.316 16.910 747 HG23 VAL 89 HG23 VAL 89 -1.556 -2.008 16.414 748 H ASP 90 H ASP 90 0.211 1.615 12.756 749 HA ASP 90 HA ASP 90 0.402 0.066 10.534 750 HB2 ASP 90 HB2 ASP 90 -0.063 2.475 10.465 751 HB3 ASP 90 HB3 ASP 90 1.616 2.817 10.875 752 H GLN 91 H GLN 91 3.180 1.637 12.126 753 HA GLN 91 HA GLN 91 5.067 0.208 10.493 754 HB2 GLN 91 HB2 GLN 91 5.365 2.042 12.868 755 HB3 GLN 91 HB3 GLN 91 6.739 1.257 12.101 756 HG2 GLN 91 HG2 GLN 91 6.828 3.113 10.866 757 HG3 GLN 91 HG3 GLN 91 5.517 2.366 9.955 758 HE21 GLN 91 HE21 GLN 91 3.691 3.459 9.763 759 HE22 GLN 91 HE22 GLN 91 3.233 4.834 10.703 760 H LEU 92 H LEU 92 4.543 0.296 14.024 761 HA LEU 92 HA LEU 92 6.104 -1.643 14.954 762 HB2 LEU 92 HB2 LEU 92 4.607 -0.605 16.451 763 HB3 LEU 92 HB3 LEU 92 3.199 -1.183 15.562 764 HG LEU 92 HG LEU 92 3.782 -2.262 17.832 765 HD11 LEU 92 HD11 LEU 92 2.362 -3.851 17.192 766 HD12 LEU 92 HD12 LEU 92 3.493 -4.493 16.001 767 HD13 LEU 92 HD13 LEU 92 2.443 -3.140 15.580 768 HD21 LEU 92 HD21 LEU 92 6.216 -2.636 16.744 769 HD22 LEU 92 HD22 LEU 92 5.456 -4.176 16.339 770 HD23 LEU 92 HD23 LEU 92 5.548 -3.653 18.021 771 H SER 93 H SER 93 2.970 -2.331 13.409 772 HA SER 93 HA SER 93 3.172 -5.131 13.529 773 HB2 SER 93 HB2 SER 93 1.554 -3.207 11.903 774 HB3 SER 93 HB3 SER 93 1.552 -4.915 11.462 775 HG SER 93 HG SER 93 0.019 -4.953 12.926 776 H HIS 94 H HIS 94 3.979 -2.855 10.921 777 HA HIS 94 HA HIS 94 4.936 -4.875 9.154 778 HB2 HIS 94 HB2 HIS 94 4.218 -2.277 8.829 779 HB3 HIS 94 HB3 HIS 94 5.973 -2.130 8.813 780 HD1 HIS 94 HD1 HIS 94 3.108 -3.227 6.771 781 HD2 HIS 94 HD2 HIS 94 7.249 -3.545 6.670 782 HE1 HIS 94 HE1 HIS 94 3.669 -3.964 4.433 783 H ILE 95 H ILE 95 6.164 -3.816 12.002 784 HA ILE 95 HA ILE 95 8.968 -4.043 11.164 785 HB ILE 95 HB ILE 95 7.748 -3.041 13.735 786 HG12 ILE 95 HG12 ILE 95 9.494 -1.584 11.749 787 HG13 ILE 95 HG13 ILE 95 7.736 -1.574 11.662 788 HG21 ILE 95 HG21 ILE 95 9.645 -3.736 14.699 789 HG22 ILE 95 HG22 ILE 95 10.439 -4.012 13.150 790 HG23 ILE 95 HG23 ILE 95 10.402 -2.392 13.845 791 HD11 ILE 95 HD11 ILE 95 8.412 0.417 12.749 792 HD12 ILE 95 HD12 ILE 95 7.724 -0.640 13.983 793 HD13 ILE 95 HD13 ILE 95 9.473 -0.466 13.846 794 H CYS 96 H CYS 96 6.549 -5.470 13.285 795 HA CYS 96 HA CYS 96 8.459 -7.560 14.058 796 HB2 CYS 96 HB2 CYS 96 6.822 -6.161 15.662 797 HB3 CYS 96 HB3 CYS 96 5.737 -7.482 15.245 798 HG CYS 96 HG CYS 96 6.766 -9.262 16.799 799 H LEU 97 H LEU 97 7.092 -7.334 11.429 800 HA LEU 97 HA LEU 97 6.303 -8.813 9.882 801 HB2 LEU 97 HB2 LEU 97 7.304 -10.448 11.921 802 HB3 LEU 97 HB3 LEU 97 5.700 -11.080 11.553 803 HG LEU 97 HG LEU 97 7.988 -10.748 9.614 804 HD11 LEU 97 HD11 LEU 97 8.533 -12.855 10.051 805 HD12 LEU 97 HD12 LEU 97 6.858 -13.388 9.909 806 HD13 LEU 97 HD13 LEU 97 7.460 -12.769 11.448 807 HD21 LEU 97 HD21 LEU 97 5.951 -12.333 8.521 808 HD22 LEU 97 HD22 LEU 97 6.464 -10.728 8.001 809 HD23 LEU 97 HD23 LEU 97 5.156 -10.899 9.172 810 H HIS 98 H HIS 98 4.396 -7.743 9.508 811 HA HIS 98 HA HIS 98 2.119 -8.056 11.235 812 HB2 HIS 98 HB2 HIS 98 2.433 -5.967 10.024 813 HB3 HIS 98 HB3 HIS 98 2.378 -6.822 8.485 814 HD1 HIS 98 HD1 HIS 98 0.082 -6.339 11.486 815 HD2 HIS 98 HD2 HIS 98 -0.072 -6.754 7.355 816 HE1 HIS 98 HE1 HIS 98 -2.343 -6.075 10.874 817 H ASP 99 H ASP 99 3.382 -9.640 8.431 818 HA ASP 99 HA ASP 99 1.096 -10.785 7.341 819 HB2 ASP 99 HB2 ASP 99 3.858 -12.003 7.566 820 HB3 ASP 99 HB3 ASP 99 2.590 -12.540 6.468 821 H TYR 100 H TYR 100 2.705 -11.457 10.316 822 HA TYR 100 HA TYR 100 1.682 -14.097 10.691 823 HB2 TYR 100 HB2 TYR 100 3.705 -12.955 11.842 824 HB3 TYR 100 HB3 TYR 100 2.506 -12.277 12.938 825 HD1 TYR 100 HD1 TYR 100 2.918 -15.660 11.395 826 HD2 TYR 100 HD2 TYR 100 2.598 -13.370 14.967 827 HE1 TYR 100 HE1 TYR 100 2.968 -17.731 12.721 828 HE2 TYR 100 HE2 TYR 100 2.649 -15.435 16.302 829 HH TYR 100 HH TYR 100 2.709 -18.620 14.758 830 H ARG 101 H ARG 101 0.486 -10.891 11.257 831 HA ARG 101 HA ARG 101 -2.040 -12.032 12.198 832 HB2 ARG 101 HB2 ARG 101 -0.526 -9.800 13.558 833 HB3 ARG 101 HB3 ARG 101 -2.221 -10.155 13.865 834 HG2 ARG 101 HG2 ARG 101 -0.518 -12.499 14.110 835 HG3 ARG 101 HG3 ARG 101 -0.075 -11.200 15.220 836 HD2 ARG 101 HD2 ARG 101 -1.860 -11.579 16.496 837 HD3 ARG 101 HD3 ARG 101 -2.940 -11.551 15.102 838 HE ARG 101 HE ARG 101 -1.411 -13.988 15.515 839 HH11 ARG 101 HH11 ARG 101 -4.423 -12.289 15.914 840 HH12 ARG 101 HH12 ARG 101 -5.356 -13.731 16.142 841 HH21 ARG 101 HH21 ARG 101 -2.629 -15.894 15.814 842 HH22 ARG 101 HH22 ARG 101 -4.334 -15.781 16.085 843 H GLU 102 H GLU 102 -3.165 -11.547 10.374 844 HA GLU 102 HA GLU 102 -2.914 -9.345 8.733 845 HB2 GLU 102 HB2 GLU 102 -5.373 -9.764 8.187 846 HB3 GLU 102 HB3 GLU 102 -4.263 -11.107 7.951 847 HG2 GLU 102 HG2 GLU 102 -5.063 -12.262 9.795 848 HG3 GLU 102 HG3 GLU 102 -5.775 -10.818 10.513 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.501 20.908 10.417 2 HA2 GLY 1 HA2 GLY 1 -1.364 21.369 12.217 3 HA3 GLY 1 HA3 GLY 1 -2.873 21.244 13.108 4 H ALA 2 H ALA 2 -0.619 19.549 11.025 5 HA ALA 2 HA ALA 2 -1.000 17.085 12.331 6 HB1 ALA 2 HB1 ALA 2 -2.790 16.254 11.315 7 HB2 ALA 2 HB2 ALA 2 -2.876 17.640 10.226 8 HB3 ALA 2 HB3 ALA 2 -1.874 16.250 9.807 9 H MET 3 H MET 3 0.768 15.875 12.014 10 HA MET 3 HA MET 3 2.114 15.588 9.551 11 HB2 MET 3 HB2 MET 3 4.267 16.731 10.323 12 HB3 MET 3 HB3 MET 3 2.966 17.770 9.759 13 HG2 MET 3 HG2 MET 3 2.554 18.623 11.832 14 HG3 MET 3 HG3 MET 3 3.126 17.177 12.661 15 HE1 MET 3 HE1 MET 3 5.092 20.878 12.966 16 HE2 MET 3 HE2 MET 3 3.415 20.337 12.898 17 HE3 MET 3 HE3 MET 3 4.473 19.767 14.189 18 H ALA 4 H ALA 4 2.481 13.479 9.844 19 HA ALA 4 HA ALA 4 4.404 12.645 11.814 20 HB1 ALA 4 HB1 ALA 4 1.615 12.393 12.408 21 HB2 ALA 4 HB2 ALA 4 2.335 10.791 12.245 22 HB3 ALA 4 HB3 ALA 4 3.009 11.948 13.392 23 H MET 5 H MET 5 5.463 10.802 11.216 24 HA MET 5 HA MET 5 4.347 9.118 9.118 25 HB2 MET 5 HB2 MET 5 6.755 10.865 8.805 26 HB3 MET 5 HB3 MET 5 6.721 9.302 8.000 27 HG2 MET 5 HG2 MET 5 5.702 10.345 6.330 28 HG3 MET 5 HG3 MET 5 4.276 10.372 7.364 29 HE1 MET 5 HE1 MET 5 3.493 13.585 6.224 30 HE2 MET 5 HE2 MET 5 4.796 13.264 5.080 31 HE3 MET 5 HE3 MET 5 3.734 11.954 5.596 32 H ALA 6 H ALA 6 6.047 7.317 8.597 33 HA ALA 6 HA ALA 6 7.238 6.449 11.151 34 HB1 ALA 6 HB1 ALA 6 6.439 4.394 9.179 35 HB2 ALA 6 HB2 ALA 6 6.365 4.369 10.942 36 HB3 ALA 6 HB3 ALA 6 5.140 5.241 10.020 37 H LYS 7 H LYS 7 9.359 6.121 11.121 38 HA LYS 7 HA LYS 7 10.656 5.388 8.589 39 HB2 LYS 7 HB2 LYS 7 11.396 7.638 10.444 40 HB3 LYS 7 HB3 LYS 7 12.590 6.897 9.387 41 HG2 LYS 7 HG2 LYS 7 11.669 7.772 7.496 42 HG3 LYS 7 HG3 LYS 7 10.041 7.818 8.177 43 HD2 LYS 7 HD2 LYS 7 11.951 9.556 9.553 44 HD3 LYS 7 HD3 LYS 7 11.689 9.981 7.859 45 HE2 LYS 7 HE2 LYS 7 9.188 9.781 8.410 46 HE3 LYS 7 HE3 LYS 7 9.694 9.842 10.098 47 HZ1 LYS 7 HZ1 LYS 7 9.368 11.969 8.292 48 HZ2 LYS 7 HZ2 LYS 7 10.994 11.908 8.754 49 HZ3 LYS 7 HZ3 LYS 7 9.785 12.033 9.931 50 H ALA 8 H ALA 8 10.223 3.346 10.029 51 HA ALA 8 HA ALA 8 12.764 2.469 10.954 52 HB1 ALA 8 HB1 ALA 8 11.752 3.859 12.894 53 HB2 ALA 8 HB2 ALA 8 10.724 2.446 13.140 54 HB3 ALA 8 HB3 ALA 8 12.478 2.289 13.242 55 H ARG 9 H ARG 9 12.902 0.264 10.976 56 HA ARG 9 HA ARG 9 10.391 -1.229 10.595 57 HB2 ARG 9 HB2 ARG 9 13.024 -1.773 9.210 58 HB3 ARG 9 HB3 ARG 9 11.529 -2.673 8.993 59 HG2 ARG 9 HG2 ARG 9 10.555 -1.026 7.734 60 HG3 ARG 9 HG3 ARG 9 11.533 0.253 8.455 61 HD2 ARG 9 HD2 ARG 9 13.076 -1.757 6.990 62 HD3 ARG 9 HD3 ARG 9 11.941 -0.853 5.989 63 HE ARG 9 HE ARG 9 13.531 0.815 7.699 64 HH11 ARG 9 HH11 ARG 9 13.417 -0.850 4.644 65 HH12 ARG 9 HH12 ARG 9 14.571 0.195 3.883 66 HH21 ARG 9 HH21 ARG 9 15.051 2.198 6.709 67 HH22 ARG 9 HH22 ARG 9 15.500 1.928 5.059 68 H LYS 10 H LYS 10 11.838 -0.799 13.048 69 HA LYS 10 HA LYS 10 13.216 -3.297 13.597 70 HB2 LYS 10 HB2 LYS 10 12.646 -0.841 15.250 71 HB3 LYS 10 HB3 LYS 10 13.378 -2.287 15.933 72 HG2 LYS 10 HG2 LYS 10 14.580 -0.999 13.521 73 HG3 LYS 10 HG3 LYS 10 14.882 -0.339 15.130 74 HD2 LYS 10 HD2 LYS 10 15.275 -3.070 15.427 75 HD3 LYS 10 HD3 LYS 10 15.986 -2.698 13.855 76 HE2 LYS 10 HE2 LYS 10 16.580 -0.994 16.245 77 HE3 LYS 10 HE3 LYS 10 17.450 -2.505 15.981 78 HZ1 LYS 10 HZ1 LYS 10 18.741 -1.485 14.523 79 HZ2 LYS 10 HZ2 LYS 10 17.947 -0.022 14.824 80 HZ3 LYS 10 HZ3 LYS 10 17.407 -1.038 13.584 81 HA PRO 11 HA PRO 11 9.472 -5.295 14.901 82 HB2 PRO 11 HB2 PRO 11 10.648 -7.539 15.878 83 HB3 PRO 11 HB3 PRO 11 10.438 -7.239 14.148 84 HG2 PRO 11 HG2 PRO 11 12.864 -6.850 15.857 85 HG3 PRO 11 HG3 PRO 11 12.742 -7.544 14.230 86 HD2 PRO 11 HD2 PRO 11 13.553 -4.999 14.671 87 HD3 PRO 11 HD3 PRO 11 12.651 -5.475 13.218 88 H ARG 12 H ARG 12 12.302 -4.999 17.008 89 HA ARG 12 HA ARG 12 10.840 -5.530 19.413 90 HB2 ARG 12 HB2 ARG 12 13.566 -5.233 18.667 91 HB3 ARG 12 HB3 ARG 12 13.238 -4.069 19.943 92 HG2 ARG 12 HG2 ARG 12 13.885 -5.904 21.153 93 HG3 ARG 12 HG3 ARG 12 12.131 -6.104 21.134 94 HD2 ARG 12 HD2 ARG 12 13.003 -8.225 20.614 95 HD3 ARG 12 HD3 ARG 12 12.469 -7.550 19.075 96 HE ARG 12 HE ARG 12 14.638 -7.587 18.356 97 HH11 ARG 12 HH11 ARG 12 14.594 -7.860 21.827 98 HH12 ARG 12 HH12 ARG 12 16.295 -8.163 21.955 99 HH21 ARG 12 HH21 ARG 12 16.878 -7.985 18.512 100 HH22 ARG 12 HH22 ARG 12 17.594 -8.233 20.069 101 H GLU 13 H GLU 13 12.125 -2.603 17.864 102 HA GLU 13 HA GLU 13 11.124 -0.839 19.870 103 HB2 GLU 13 HB2 GLU 13 12.418 -0.547 17.208 104 HB3 GLU 13 HB3 GLU 13 11.493 0.822 17.808 105 HG2 GLU 13 HG2 GLU 13 12.851 0.909 19.806 106 HG3 GLU 13 HG3 GLU 13 13.738 -0.525 19.292 107 H ALA 14 H ALA 14 9.705 -2.453 17.233 108 HA ALA 14 HA ALA 14 7.642 -0.548 16.666 109 HB1 ALA 14 HB1 ALA 14 8.126 -3.402 15.899 110 HB2 ALA 14 HB2 ALA 14 6.592 -2.611 15.532 111 HB3 ALA 14 HB3 ALA 14 8.097 -1.963 14.880 112 H LEU 15 H LEU 15 7.918 -3.445 18.667 113 HA LEU 15 HA LEU 15 5.177 -3.555 19.404 114 HB2 LEU 15 HB2 LEU 15 6.700 -5.475 19.556 115 HB3 LEU 15 HB3 LEU 15 7.597 -4.653 20.831 116 HG LEU 15 HG LEU 15 5.827 -6.513 21.389 117 HD11 LEU 15 HD11 LEU 15 6.234 -3.917 22.849 118 HD12 LEU 15 HD12 LEU 15 7.050 -5.458 23.110 119 HD13 LEU 15 HD13 LEU 15 5.349 -5.278 23.539 120 HD21 LEU 15 HD21 LEU 15 3.626 -5.869 21.588 121 HD22 LEU 15 HD22 LEU 15 4.094 -5.048 20.099 122 HD23 LEU 15 HD23 LEU 15 4.018 -4.149 21.615 123 H LEU 16 H LEU 16 8.020 -2.006 20.786 124 HA LEU 16 HA LEU 16 6.662 -1.160 23.173 125 HB2 LEU 16 HB2 LEU 16 8.672 -0.081 23.763 126 HB3 LEU 16 HB3 LEU 16 9.132 -1.585 22.968 127 HG LEU 16 HG LEU 16 9.399 -0.110 20.857 128 HD11 LEU 16 HD11 LEU 16 8.591 1.843 22.736 129 HD12 LEU 16 HD12 LEU 16 9.068 2.070 21.053 130 HD13 LEU 16 HD13 LEU 16 10.280 2.156 22.332 131 HD21 LEU 16 HD21 LEU 16 11.244 -0.160 23.225 132 HD22 LEU 16 HD22 LEU 16 11.708 0.590 21.698 133 HD23 LEU 16 HD23 LEU 16 11.310 -1.127 21.751 134 H TRP 17 H TRP 17 7.513 0.286 20.073 135 HA TRP 17 HA TRP 17 6.672 2.920 20.759 136 HB2 TRP 17 HB2 TRP 17 8.264 2.520 18.942 137 HB3 TRP 17 HB3 TRP 17 7.036 1.629 18.046 138 HD1 TRP 17 HD1 TRP 17 6.635 5.076 19.772 139 HE1 TRP 17 HE1 TRP 17 5.893 6.775 17.987 140 HE3 TRP 17 HE3 TRP 17 6.835 2.060 15.649 141 HZ2 TRP 17 HZ2 TRP 17 5.450 6.829 15.200 142 HZ3 TRP 17 HZ3 TRP 17 6.236 3.012 13.461 143 HH2 TRP 17 HH2 TRP 17 5.558 5.348 13.243 144 H ALA 18 H ALA 18 5.104 0.118 19.345 145 HA ALA 18 HA ALA 18 2.729 1.494 18.550 146 HB1 ALA 18 HB1 ALA 18 1.858 -0.627 17.984 147 HB2 ALA 18 HB2 ALA 18 3.580 -0.693 17.607 148 HB3 ALA 18 HB3 ALA 18 2.968 -1.458 19.074 149 H LEU 19 H LEU 19 3.466 -0.728 21.240 150 HA LEU 19 HA LEU 19 0.987 -0.605 22.505 151 HB2 LEU 19 HB2 LEU 19 2.128 -1.390 24.496 152 HB3 LEU 19 HB3 LEU 19 2.703 -2.242 23.065 153 HG LEU 19 HG LEU 19 4.681 -0.643 23.093 154 HD11 LEU 19 HD11 LEU 19 4.965 -0.024 25.707 155 HD12 LEU 19 HD12 LEU 19 3.230 0.218 25.501 156 HD13 LEU 19 HD13 LEU 19 4.370 1.097 24.482 157 HD21 LEU 19 HD21 LEU 19 5.877 -1.973 24.723 158 HD22 LEU 19 HD22 LEU 19 4.784 -3.002 23.796 159 HD23 LEU 19 HD23 LEU 19 4.358 -2.514 25.437 160 H SER 20 H SER 20 3.461 1.752 22.276 161 HA SER 20 HA SER 20 2.524 3.248 24.593 162 HB2 SER 20 HB2 SER 20 4.469 4.471 24.456 163 HB3 SER 20 HB3 SER 20 5.004 2.989 23.663 164 HG SER 20 HG SER 20 5.544 4.427 22.183 165 H ASP 21 H ASP 21 2.039 3.101 21.203 166 HA ASP 21 HA ASP 21 1.240 5.794 20.765 167 HB2 ASP 21 HB2 ASP 21 1.540 3.431 19.208 168 HB3 ASP 21 HB3 ASP 21 -0.093 4.039 18.949 169 H LEU 22 H LEU 22 -0.182 3.306 22.493 170 HA LEU 22 HA LEU 22 -2.875 4.447 22.146 171 HB2 LEU 22 HB2 LEU 22 -3.404 2.197 23.458 172 HB3 LEU 22 HB3 LEU 22 -3.278 2.269 21.701 173 HG LEU 22 HG LEU 22 -0.758 1.679 23.092 174 HD11 LEU 22 HD11 LEU 22 -2.556 0.491 24.441 175 HD12 LEU 22 HD12 LEU 22 -1.264 -0.509 23.775 176 HD13 LEU 22 HD13 LEU 22 -2.846 -0.477 22.995 177 HD21 LEU 22 HD21 LEU 22 -0.528 0.092 21.289 178 HD22 LEU 22 HD22 LEU 22 -1.065 1.642 20.642 179 HD23 LEU 22 HD23 LEU 22 -2.216 0.318 20.830 180 H GLU 23 H GLU 23 -4.187 4.724 24.040 181 HA GLU 23 HA GLU 23 -2.814 5.942 26.184 182 HB2 GLU 23 HB2 GLU 23 -5.692 5.100 25.848 183 HB3 GLU 23 HB3 GLU 23 -5.107 5.952 27.270 184 HG2 GLU 23 HG2 GLU 23 -4.594 7.884 26.031 185 HG3 GLU 23 HG3 GLU 23 -4.750 7.034 24.495 186 H GLU 24 H GLU 24 -2.584 5.317 28.343 187 HA GLU 24 HA GLU 24 -1.844 2.670 28.809 188 HB2 GLU 24 HB2 GLU 24 -1.524 3.283 31.079 189 HB3 GLU 24 HB3 GLU 24 -1.156 4.716 30.129 190 HG2 GLU 24 HG2 GLU 24 -3.765 4.198 31.536 191 HG3 GLU 24 HG3 GLU 24 -2.461 5.212 32.150 192 H ASN 25 H ASN 25 -4.914 4.293 29.242 193 HA ASN 25 HA ASN 25 -6.126 2.203 30.772 194 HB2 ASN 25 HB2 ASN 25 -8.062 3.492 30.741 195 HB3 ASN 25 HB3 ASN 25 -6.805 4.714 30.568 196 HD21 ASN 25 HD21 ASN 25 -6.627 5.847 28.683 197 HD22 ASN 25 HD22 ASN 25 -7.787 5.751 27.405 198 H ASP 26 H ASP 26 -5.031 2.121 27.737 199 HA ASP 26 HA ASP 26 -7.257 0.475 26.734 200 HB2 ASP 26 HB2 ASP 26 -5.084 1.953 25.239 201 HB3 ASP 26 HB3 ASP 26 -6.215 0.837 24.478 202 H PHE 27 H PHE 27 -3.699 0.669 26.534 203 HA PHE 27 HA PHE 27 -3.279 -1.955 25.680 204 HB2 PHE 27 HB2 PHE 27 -1.173 -1.210 25.594 205 HB3 PHE 27 HB3 PHE 27 -1.678 0.256 26.428 206 HD1 PHE 27 HD1 PHE 27 -1.324 0.523 28.805 207 HD2 PHE 27 HD2 PHE 27 -0.099 -3.016 26.783 208 HE1 PHE 27 HE1 PHE 27 0.059 -0.101 30.742 209 HE2 PHE 27 HE2 PHE 27 1.285 -3.646 28.717 210 HZ PHE 27 HZ PHE 27 1.365 -2.188 30.700 211 H LYS 28 H LYS 28 -3.588 -0.612 28.922 212 HA LYS 28 HA LYS 28 -2.829 -2.933 30.341 213 HB2 LYS 28 HB2 LYS 28 -2.823 -0.907 31.552 214 HB3 LYS 28 HB3 LYS 28 -4.466 -0.513 31.063 215 HG2 LYS 28 HG2 LYS 28 -5.331 -2.308 32.454 216 HG3 LYS 28 HG3 LYS 28 -3.688 -2.756 32.917 217 HD2 LYS 28 HD2 LYS 28 -4.335 -1.452 34.707 218 HD3 LYS 28 HD3 LYS 28 -3.528 -0.265 33.680 219 HE2 LYS 28 HE2 LYS 28 -6.034 -0.098 32.713 220 HE3 LYS 28 HE3 LYS 28 -6.382 -0.551 34.380 221 HZ1 LYS 28 HZ1 LYS 28 -4.413 1.447 34.379 222 HZ2 LYS 28 HZ2 LYS 28 -5.985 1.521 34.999 223 HZ3 LYS 28 HZ3 LYS 28 -5.687 1.963 33.394 224 H LYS 29 H LYS 29 -5.979 -1.716 29.269 225 HA LYS 29 HA LYS 29 -7.625 -3.588 30.489 226 HB2 LYS 29 HB2 LYS 29 -7.853 -1.634 28.389 227 HB3 LYS 29 HB3 LYS 29 -8.720 -3.095 27.937 228 HG2 LYS 29 HG2 LYS 29 -10.226 -1.603 29.050 229 HG3 LYS 29 HG3 LYS 29 -9.929 -2.997 30.092 230 HD2 LYS 29 HD2 LYS 29 -8.706 -1.774 31.607 231 HD3 LYS 29 HD3 LYS 29 -8.219 -0.575 30.406 232 HE2 LYS 29 HE2 LYS 29 -11.053 -0.865 31.373 233 HE3 LYS 29 HE3 LYS 29 -9.881 0.193 32.157 234 HZ1 LYS 29 HZ1 LYS 29 -11.251 0.505 29.616 235 HZ2 LYS 29 HZ2 LYS 29 -9.623 0.963 29.627 236 HZ3 LYS 29 HZ3 LYS 29 -10.710 1.679 30.707 237 H LEU 30 H LEU 30 -5.967 -3.772 27.359 238 HA LEU 30 HA LEU 30 -7.001 -6.331 26.676 239 HB2 LEU 30 HB2 LEU 30 -4.405 -5.637 25.528 240 HB3 LEU 30 HB3 LEU 30 -5.926 -6.040 24.734 241 HG LEU 30 HG LEU 30 -5.143 -3.332 25.813 242 HD11 LEU 30 HD11 LEU 30 -5.626 -3.050 23.152 243 HD12 LEU 30 HD12 LEU 30 -4.873 -4.644 23.207 244 HD13 LEU 30 HD13 LEU 30 -4.027 -3.246 23.872 245 HD21 LEU 30 HD21 LEU 30 -7.387 -3.148 26.006 246 HD22 LEU 30 HD22 LEU 30 -7.704 -4.474 24.887 247 HD23 LEU 30 HD23 LEU 30 -7.287 -2.876 24.266 248 H LYS 31 H LYS 31 -3.779 -5.298 27.802 249 HA LYS 31 HA LYS 31 -2.657 -7.838 28.050 250 HB2 LYS 31 HB2 LYS 31 -2.101 -5.299 29.590 251 HB3 LYS 31 HB3 LYS 31 -1.106 -6.745 29.701 252 HG2 LYS 31 HG2 LYS 31 -1.589 -5.093 27.230 253 HG3 LYS 31 HG3 LYS 31 -0.106 -5.153 28.187 254 HD2 LYS 31 HD2 LYS 31 0.131 -7.537 27.643 255 HD3 LYS 31 HD3 LYS 31 -1.337 -7.452 26.665 256 HE2 LYS 31 HE2 LYS 31 -0.187 -6.689 24.923 257 HE3 LYS 31 HE3 LYS 31 0.478 -5.372 25.887 258 HZ1 LYS 31 HZ1 LYS 31 1.936 -7.346 24.819 259 HZ2 LYS 31 HZ2 LYS 31 1.673 -7.960 26.373 260 HZ3 LYS 31 HZ3 LYS 31 2.406 -6.448 26.175 261 H PHE 32 H PHE 32 -4.868 -6.126 30.115 262 HA PHE 32 HA PHE 32 -4.467 -7.570 32.497 263 HB2 PHE 32 HB2 PHE 32 -5.704 -5.538 32.618 264 HB3 PHE 32 HB3 PHE 32 -6.857 -6.087 31.407 265 HD1 PHE 32 HD2 PHE 32 -5.554 -7.177 34.731 266 HD2 PHE 32 HD1 PHE 32 -8.916 -6.743 32.158 267 HE1 PHE 32 HE2 PHE 32 -7.025 -8.012 36.518 268 HE2 PHE 32 HE1 PHE 32 -10.393 -7.576 33.941 269 HZ PHE 32 HZ PHE 32 -9.447 -8.214 36.124 270 H TYR 33 H TYR 33 -6.706 -8.079 29.793 271 HA TYR 33 HA TYR 33 -7.572 -10.612 30.958 272 HB2 TYR 33 HB2 TYR 33 -8.895 -8.670 29.487 273 HB3 TYR 33 HB3 TYR 33 -8.644 -9.966 28.322 274 HD1 TYR 33 HD2 TYR 33 -9.673 -9.649 31.908 275 HD2 TYR 33 HD1 TYR 33 -10.371 -11.470 28.127 276 HE1 TYR 33 HE2 TYR 33 -11.592 -10.863 32.854 277 HE2 TYR 33 HE1 TYR 33 -12.293 -12.689 29.062 278 HH TYR 33 HH TYR 33 -13.661 -11.929 32.073 279 H LEU 34 H LEU 34 -6.310 -9.441 27.835 280 HA LEU 34 HA LEU 34 -5.906 -11.877 26.601 281 HB2 LEU 34 HB2 LEU 34 -4.519 -9.235 26.403 282 HB3 LEU 34 HB3 LEU 34 -3.918 -10.618 25.490 283 HG LEU 34 HG LEU 34 -5.374 -9.113 24.171 284 HD11 LEU 34 HD11 LEU 34 -5.511 -11.945 24.406 285 HD12 LEU 34 HD12 LEU 34 -5.739 -10.940 22.975 286 HD13 LEU 34 HD13 LEU 34 -7.116 -11.333 24.004 287 HD21 LEU 34 HD21 LEU 34 -6.865 -8.580 26.155 288 HD22 LEU 34 HD22 LEU 34 -7.650 -10.130 25.852 289 HD23 LEU 34 HD23 LEU 34 -7.674 -8.872 24.615 290 H ARG 35 H ARG 35 -3.433 -10.009 28.375 291 HA ARG 35 HA ARG 35 -1.465 -11.998 28.334 292 HB2 ARG 35 HB2 ARG 35 -1.546 -9.418 29.165 293 HB3 ARG 35 HB3 ARG 35 -1.533 -10.250 30.714 294 HG2 ARG 35 HG2 ARG 35 0.455 -11.571 29.563 295 HG3 ARG 35 HG3 ARG 35 0.565 -10.077 28.631 296 HD2 ARG 35 HD2 ARG 35 0.984 -10.538 31.548 297 HD3 ARG 35 HD3 ARG 35 1.962 -9.618 30.405 298 HE ARG 35 HE ARG 35 0.450 -7.813 30.610 299 HH11 ARG 35 HH11 ARG 35 -0.306 -10.490 32.703 300 HH12 ARG 35 HH12 ARG 35 -1.328 -9.556 33.745 301 HH21 ARG 35 HH21 ARG 35 -0.893 -6.573 31.974 302 HH22 ARG 35 HH22 ARG 35 -1.662 -7.328 33.328 303 H ASP 36 H ASP 36 -4.051 -11.343 30.642 304 HA ASP 36 HA ASP 36 -3.359 -12.966 32.742 305 HB2 ASP 36 HB2 ASP 36 -5.799 -11.803 31.717 306 HB3 ASP 36 HB3 ASP 36 -6.111 -13.398 32.396 307 H MET 37 H MET 37 -5.155 -13.938 29.825 308 HA MET 37 HA MET 37 -4.933 -16.737 30.582 309 HB2 MET 37 HB2 MET 37 -6.069 -16.791 28.121 310 HB3 MET 37 HB3 MET 37 -6.973 -16.608 29.619 311 HG2 MET 37 HG2 MET 37 -7.133 -14.263 29.343 312 HG3 MET 37 HG3 MET 37 -5.961 -14.273 28.026 313 HE1 MET 37 HE1 MET 37 -7.243 -13.514 25.662 314 HE2 MET 37 HE2 MET 37 -8.955 -13.222 25.973 315 HE3 MET 37 HE3 MET 37 -7.740 -12.660 27.123 316 H THR 38 H THR 38 -4.267 -14.936 27.573 317 HA THR 38 HA THR 38 -2.771 -16.765 26.231 318 HB THR 38 HB THR 38 -1.674 -14.963 25.054 319 HG1 THR 38 HG1 THR 38 -2.249 -13.561 27.412 320 HG21 THR 38 HG21 THR 38 -3.629 -13.538 24.496 321 HG22 THR 38 HG22 THR 38 -4.488 -14.233 25.871 322 HG23 THR 38 HG23 THR 38 -4.012 -15.259 24.518 323 H LEU 39 H LEU 39 -1.694 -14.703 28.877 324 HA LEU 39 HA LEU 39 0.773 -16.299 29.017 325 HB2 LEU 39 HB2 LEU 39 0.454 -13.322 29.267 326 HB3 LEU 39 HB3 LEU 39 1.849 -14.174 29.927 327 HG LEU 39 HG LEU 39 2.052 -15.071 27.458 328 HD11 LEU 39 HD11 LEU 39 1.470 -13.003 25.985 329 HD12 LEU 39 HD12 LEU 39 0.278 -12.680 27.244 330 HD13 LEU 39 HD13 LEU 39 0.229 -14.201 26.354 331 HD21 LEU 39 HD21 LEU 39 2.887 -12.240 27.716 332 HD22 LEU 39 HD22 LEU 39 3.818 -13.661 27.241 333 HD23 LEU 39 HD23 LEU 39 3.462 -13.368 28.944 334 H SER 40 H SER 40 1.871 -15.465 31.297 335 HA SER 40 HA SER 40 -0.049 -16.367 33.286 336 HB2 SER 40 HB2 SER 40 2.589 -15.740 34.324 337 HB3 SER 40 HB3 SER 40 1.732 -17.281 34.303 338 HG SER 40 HG SER 40 3.126 -17.829 32.840 339 H GLU 41 H GLU 41 2.524 -13.914 33.493 340 HA GLU 41 HA GLU 41 0.917 -11.685 33.910 341 HB2 GLU 41 HB2 GLU 41 1.102 -13.444 36.218 342 HB3 GLU 41 HB3 GLU 41 1.712 -11.834 36.573 343 HG2 GLU 41 HG2 GLU 41 -0.689 -11.496 35.143 344 HG3 GLU 41 HG3 GLU 41 -0.984 -12.733 36.364 345 H GLY 42 H GLY 42 3.510 -12.653 36.117 346 HA2 GLY 42 HA2 GLY 42 5.637 -11.845 36.407 347 HA3 GLY 42 HA3 GLY 42 5.677 -11.638 34.662 348 H GLN 43 H GLN 43 3.139 -9.958 36.157 349 HA GLN 43 HA GLN 43 4.693 -7.538 36.594 350 HB2 GLN 43 HB2 GLN 43 3.906 -6.314 34.860 351 HB3 GLN 43 HB3 GLN 43 3.707 -7.892 34.109 352 HG2 GLN 43 HG2 GLN 43 1.371 -7.937 34.825 353 HG3 GLN 43 HG3 GLN 43 1.572 -6.350 35.567 354 HE21 GLN 43 HE21 GLN 43 2.791 -7.568 32.484 355 HE22 GLN 43 HE22 GLN 43 1.966 -6.414 31.498 356 HA PRO 44 HA PRO 44 1.697 -6.627 39.664 357 HB2 PRO 44 HB2 PRO 44 1.374 -3.941 39.444 358 HB3 PRO 44 HB3 PRO 44 2.840 -4.682 40.095 359 HG2 PRO 44 HG2 PRO 44 2.319 -3.611 37.349 360 HG3 PRO 44 HG3 PRO 44 3.756 -3.420 38.370 361 HD2 PRO 44 HD2 PRO 44 3.637 -5.211 36.342 362 HD3 PRO 44 HD3 PRO 44 4.578 -5.502 37.819 363 HA PRO 45 HA PRO 45 -2.431 -6.375 38.169 364 HB2 PRO 45 HB2 PRO 45 -3.698 -4.888 40.054 365 HB3 PRO 45 HB3 PRO 45 -3.155 -6.545 40.343 366 HG2 PRO 45 HG2 PRO 45 -1.853 -3.963 41.116 367 HG3 PRO 45 HG3 PRO 45 -2.044 -5.448 42.066 368 HD2 PRO 45 HD2 PRO 45 0.272 -4.804 40.820 369 HD3 PRO 45 HD3 PRO 45 -0.259 -6.484 41.040 370 H LEU 46 H LEU 46 -4.359 -4.515 38.216 371 HA LEU 46 HA LEU 46 -3.906 -2.867 36.092 372 HB2 LEU 46 HB2 LEU 46 -5.691 -2.140 38.406 373 HB3 LEU 46 HB3 LEU 46 -5.855 -1.624 36.729 374 HG LEU 46 HG LEU 46 -5.952 -4.535 37.167 375 HD11 LEU 46 HD11 LEU 46 -7.181 -3.496 39.137 376 HD12 LEU 46 HD12 LEU 46 -8.088 -4.627 38.134 377 HD13 LEU 46 HD13 LEU 46 -8.339 -2.891 37.952 378 HD21 LEU 46 HD21 LEU 46 -6.337 -3.689 34.979 379 HD22 LEU 46 HD22 LEU 46 -7.514 -2.516 35.570 380 HD23 LEU 46 HD23 LEU 46 -7.893 -4.239 35.603 381 H ALA 47 H ALA 47 -2.694 -1.138 35.723 382 HA ALA 47 HA ALA 47 -2.292 0.888 37.736 383 HB1 ALA 47 HB1 ALA 47 -0.455 -1.163 37.711 384 HB2 ALA 47 HB2 ALA 47 0.320 0.087 36.737 385 HB3 ALA 47 HB3 ALA 47 -0.203 0.448 38.383 386 H ARG 48 H ARG 48 -2.644 2.690 36.628 387 HA ARG 48 HA ARG 48 -2.345 2.850 33.797 388 HB2 ARG 48 HB2 ARG 48 -3.017 5.192 34.066 389 HB3 ARG 48 HB3 ARG 48 -4.076 4.116 34.968 390 HG2 ARG 48 HG2 ARG 48 -2.238 4.730 36.860 391 HG3 ARG 48 HG3 ARG 48 -2.267 6.220 35.914 392 HD2 ARG 48 HD2 ARG 48 -4.293 6.782 36.673 393 HD3 ARG 48 HD3 ARG 48 -4.926 5.155 36.427 394 HE ARG 48 HE ARG 48 -3.322 4.988 38.651 395 HH11 ARG 48 HH11 ARG 48 -6.123 6.827 37.707 396 HH12 ARG 48 HH12 ARG 48 -6.737 6.967 39.321 397 HH21 ARG 48 HH21 ARG 48 -4.119 5.165 40.780 398 HH22 ARG 48 HH22 ARG 48 -5.596 6.022 41.069 399 H GLY 49 H GLY 49 -0.239 3.363 36.441 400 HA2 GLY 49 HA2 GLY 49 1.501 5.235 35.097 401 HA3 GLY 49 HA3 GLY 49 1.809 4.437 36.633 402 H GLU 50 H GLU 50 0.948 2.021 34.621 403 HA GLU 50 HA GLU 50 3.624 1.054 34.382 404 HB2 GLU 50 HB2 GLU 50 0.988 -0.020 34.182 405 HB3 GLU 50 HB3 GLU 50 1.866 -0.444 32.719 406 HG2 GLU 50 HG2 GLU 50 2.806 -2.107 33.825 407 HG3 GLU 50 HG3 GLU 50 3.639 -0.920 34.828 408 H LEU 51 H LEU 51 1.358 2.637 32.245 409 HA LEU 51 HA LEU 51 3.284 2.399 30.033 410 HB2 LEU 51 HB2 LEU 51 1.104 1.526 29.488 411 HB3 LEU 51 HB3 LEU 51 0.335 3.020 30.019 412 HG LEU 51 HG LEU 51 2.305 3.156 27.789 413 HD11 LEU 51 HD11 LEU 51 0.318 2.755 26.240 414 HD12 LEU 51 HD12 LEU 51 -0.442 1.961 27.619 415 HD13 LEU 51 HD13 LEU 51 1.076 1.341 26.971 416 HD21 LEU 51 HD21 LEU 51 -0.160 4.580 27.453 417 HD22 LEU 51 HD22 LEU 51 1.480 5.208 27.617 418 HD23 LEU 51 HD23 LEU 51 0.506 4.899 29.055 419 H GLU 52 H GLU 52 1.169 4.696 31.717 420 HA GLU 52 HA GLU 52 2.158 6.976 30.313 421 HB2 GLU 52 HB2 GLU 52 -0.070 6.971 31.320 422 HB3 GLU 52 HB3 GLU 52 0.638 6.784 32.918 423 HG2 GLU 52 HG2 GLU 52 1.729 8.966 32.679 424 HG3 GLU 52 HG3 GLU 52 0.974 9.156 31.097 425 H GLY 53 H GLY 53 2.600 5.840 33.669 426 HA2 GLY 53 HA2 GLY 53 4.563 7.769 34.325 427 HA3 GLY 53 HA3 GLY 53 4.250 6.280 35.204 428 H LEU 54 H LEU 54 4.965 4.277 33.708 429 HA LEU 54 HA LEU 54 7.815 4.534 33.519 430 HB2 LEU 54 HB2 LEU 54 6.073 2.210 32.720 431 HB3 LEU 54 HB3 LEU 54 7.811 2.173 33.011 432 HG LEU 54 HG LEU 54 5.640 2.594 35.063 433 HD11 LEU 54 HD11 LEU 54 6.128 0.465 35.850 434 HD12 LEU 54 HD12 LEU 54 7.675 0.398 35.007 435 HD13 LEU 54 HD13 LEU 54 6.169 0.265 34.098 436 HD21 LEU 54 HD21 LEU 54 8.610 2.913 35.191 437 HD22 LEU 54 HD22 LEU 54 7.718 2.354 36.606 438 HD23 LEU 54 HD23 LEU 54 7.342 3.921 35.888 439 H ILE 55 H ILE 55 8.537 2.931 31.428 440 HA ILE 55 HA ILE 55 7.625 4.459 29.076 441 HB ILE 55 HB ILE 55 9.908 4.004 28.122 442 HG12 ILE 55 HG12 ILE 55 10.396 3.114 30.965 443 HG13 ILE 55 HG13 ILE 55 10.666 2.195 29.488 444 HG21 ILE 55 HG21 ILE 55 10.845 5.923 29.071 445 HG22 ILE 55 HG22 ILE 55 9.109 6.142 29.283 446 HG23 ILE 55 HG23 ILE 55 10.104 5.619 30.642 447 HD11 ILE 55 HD11 ILE 55 12.799 2.807 29.972 448 HD12 ILE 55 HD12 ILE 55 12.320 4.182 28.976 449 HD13 ILE 55 HD13 ILE 55 12.312 4.322 30.733 450 HA PRO 56 HA PRO 56 6.639 0.723 26.997 451 HB2 PRO 56 HB2 PRO 56 7.454 1.237 24.458 452 HB3 PRO 56 HB3 PRO 56 6.036 2.002 25.186 453 HG2 PRO 56 HG2 PRO 56 8.810 3.079 24.857 454 HG3 PRO 56 HG3 PRO 56 7.256 3.891 24.592 455 HD2 PRO 56 HD2 PRO 56 8.722 4.249 26.840 456 HD3 PRO 56 HD3 PRO 56 6.948 4.308 26.838 457 H VAL 57 H VAL 57 9.884 1.916 26.128 458 HA VAL 57 HA VAL 57 10.936 -0.515 25.230 459 HB VAL 57 HB VAL 57 12.403 1.769 26.557 460 HG11 VAL 57 HG11 VAL 57 13.368 -0.581 24.944 461 HG12 VAL 57 HG12 VAL 57 14.335 0.873 25.201 462 HG13 VAL 57 HG13 VAL 57 13.841 -0.113 26.577 463 HG21 VAL 57 HG21 VAL 57 12.159 2.929 24.676 464 HG22 VAL 57 HG22 VAL 57 12.699 1.564 23.698 465 HG23 VAL 57 HG23 VAL 57 10.998 1.712 24.143 466 H ASP 58 H ASP 58 10.230 0.579 28.407 467 HA ASP 58 HA ASP 58 12.003 -1.333 29.690 468 HB2 ASP 58 HB2 ASP 58 11.651 0.900 30.694 469 HB3 ASP 58 HB3 ASP 58 9.944 0.520 30.906 470 H LEU 59 H LEU 59 8.494 -0.681 29.777 471 HA LEU 59 HA LEU 59 7.790 -3.091 31.028 472 HB2 LEU 59 HB2 LEU 59 5.808 -2.108 31.060 473 HB3 LEU 59 HB3 LEU 59 6.476 -0.807 30.076 474 HG LEU 59 HG LEU 59 5.316 -3.289 28.842 475 HD11 LEU 59 HD11 LEU 59 3.849 -0.747 29.533 476 HD12 LEU 59 HD12 LEU 59 3.604 -2.320 30.291 477 HD13 LEU 59 HD13 LEU 59 3.211 -2.093 28.587 478 HD21 LEU 59 HD21 LEU 59 6.676 -1.058 27.838 479 HD22 LEU 59 HD22 LEU 59 4.980 -0.815 27.419 480 HD23 LEU 59 HD23 LEU 59 5.809 -2.291 26.921 481 H ALA 60 H ALA 60 8.299 -2.269 27.662 482 HA ALA 60 HA ALA 60 7.102 -4.521 26.482 483 HB1 ALA 60 HB1 ALA 60 8.421 -3.987 24.514 484 HB2 ALA 60 HB2 ALA 60 7.756 -2.516 25.226 485 HB3 ALA 60 HB3 ALA 60 9.453 -2.925 25.472 486 H GLU 61 H GLU 61 10.532 -3.923 27.268 487 HA GLU 61 HA GLU 61 11.530 -6.403 26.518 488 HB2 GLU 61 HB2 GLU 61 13.492 -5.773 27.530 489 HB3 GLU 61 HB3 GLU 61 12.707 -4.207 27.385 490 HG2 GLU 61 HG2 GLU 61 12.005 -4.293 29.686 491 HG3 GLU 61 HG3 GLU 61 12.643 -5.928 29.852 492 H LEU 62 H LEU 62 9.794 -5.456 29.388 493 HA LEU 62 HA LEU 62 10.432 -7.790 30.912 494 HB2 LEU 62 HB2 LEU 62 9.817 -5.912 32.167 495 HB3 LEU 62 HB3 LEU 62 8.396 -5.604 31.170 496 HG LEU 62 HG LEU 62 8.431 -8.140 32.701 497 HD11 LEU 62 HD11 LEU 62 7.446 -6.741 34.648 498 HD12 LEU 62 HD12 LEU 62 8.393 -5.426 33.953 499 HD13 LEU 62 HD13 LEU 62 9.196 -6.900 34.494 500 HD21 LEU 62 HD21 LEU 62 6.497 -6.200 31.602 501 HD22 LEU 62 HD22 LEU 62 6.039 -6.990 33.111 502 HD23 LEU 62 HD23 LEU 62 6.420 -7.960 31.688 503 H LEU 63 H LEU 63 7.653 -6.772 28.959 504 HA LEU 63 HA LEU 63 6.059 -9.042 29.451 505 HB2 LEU 63 HB2 LEU 63 5.782 -6.666 28.074 506 HB3 LEU 63 HB3 LEU 63 5.719 -7.885 26.803 507 HG LEU 63 HG LEU 63 3.484 -7.323 27.526 508 HD11 LEU 63 HD11 LEU 63 4.467 -9.843 27.254 509 HD12 LEU 63 HD12 LEU 63 2.758 -9.438 27.411 510 HD13 LEU 63 HD13 LEU 63 3.679 -9.939 28.829 511 HD21 LEU 63 HD21 LEU 63 3.653 -8.480 30.193 512 HD22 LEU 63 HD22 LEU 63 2.872 -6.995 29.648 513 HD23 LEU 63 HD23 LEU 63 4.597 -7.001 30.019 514 H ILE 64 H ILE 64 8.185 -8.250 26.706 515 HA ILE 64 HA ILE 64 7.829 -10.618 25.273 516 HB ILE 64 HB ILE 64 10.000 -10.124 24.207 517 HG12 ILE 64 HG12 ILE 64 10.811 -7.691 25.088 518 HG13 ILE 64 HG13 ILE 64 10.265 -8.407 26.600 519 HG21 ILE 64 HG21 ILE 64 8.943 -7.428 24.233 520 HG22 ILE 64 HG22 ILE 64 8.969 -8.617 22.932 521 HG23 ILE 64 HG23 ILE 64 7.665 -8.638 24.119 522 HD11 ILE 64 HD11 ILE 64 12.095 -9.640 26.747 523 HD12 ILE 64 HD12 ILE 64 11.880 -10.264 25.111 524 HD13 ILE 64 HD13 ILE 64 12.731 -8.742 25.369 525 H SER 65 H SER 65 9.935 -9.867 27.978 526 HA SER 65 HA SER 65 11.401 -12.337 27.799 527 HB2 SER 65 HB2 SER 65 12.718 -10.727 28.798 528 HB3 SER 65 HB3 SER 65 11.362 -10.002 29.662 529 HG SER 65 HG SER 65 12.343 -12.582 30.277 530 H LYS 66 H LYS 66 8.546 -11.190 29.410 531 HA LYS 66 HA LYS 66 8.273 -12.927 31.526 532 HB2 LYS 66 HB2 LYS 66 6.637 -11.245 31.292 533 HB3 LYS 66 HB3 LYS 66 6.243 -11.738 29.651 534 HG2 LYS 66 HG2 LYS 66 4.473 -12.354 31.187 535 HG3 LYS 66 HG3 LYS 66 5.237 -13.793 30.507 536 HD2 LYS 66 HD2 LYS 66 6.690 -13.224 32.820 537 HD3 LYS 66 HD3 LYS 66 5.001 -12.962 33.263 538 HE2 LYS 66 HE2 LYS 66 4.403 -15.164 32.700 539 HE3 LYS 66 HE3 LYS 66 5.893 -15.427 31.796 540 HZ1 LYS 66 HZ1 LYS 66 5.986 -14.870 34.688 541 HZ2 LYS 66 HZ2 LYS 66 7.118 -15.673 33.722 542 HZ3 LYS 66 HZ3 LYS 66 5.664 -16.435 34.133 543 H TYR 67 H TYR 67 6.796 -13.474 28.322 544 HA TYR 67 HA TYR 67 7.113 -16.367 28.790 545 HB2 TYR 67 HB2 TYR 67 4.731 -15.136 28.613 546 HB3 TYR 67 HB3 TYR 67 5.024 -15.427 26.902 547 HD1 TYR 67 HD2 TYR 67 5.516 -17.379 30.060 548 HD2 TYR 67 HD1 TYR 67 3.940 -17.293 26.108 549 HE1 TYR 67 HE2 TYR 67 4.735 -19.696 30.327 550 HE2 TYR 67 HE1 TYR 67 3.153 -19.609 26.365 551 HH TYR 67 HH TYR 67 2.816 -21.129 29.222 552 H GLY 68 H GLY 68 7.128 -13.767 26.398 553 HA2 GLY 68 HA2 GLY 68 9.306 -14.637 24.958 554 HA3 GLY 68 HA3 GLY 68 7.925 -15.435 24.218 555 H GLU 69 H GLU 69 9.780 -13.360 23.184 556 HA GLU 69 HA GLU 69 8.420 -10.883 23.027 557 HB2 GLU 69 HB2 GLU 69 9.953 -10.427 21.121 558 HB3 GLU 69 HB3 GLU 69 10.781 -10.977 22.571 559 HG2 GLU 69 HG2 GLU 69 10.234 -13.297 21.135 560 HG3 GLU 69 HG3 GLU 69 10.744 -12.118 19.928 561 H LYS 70 H LYS 70 8.160 -13.865 21.264 562 HA LYS 70 HA LYS 70 6.902 -12.932 18.934 563 HB2 LYS 70 HB2 LYS 70 7.365 -15.493 20.234 564 HB3 LYS 70 HB3 LYS 70 5.800 -15.439 19.432 565 HG2 LYS 70 HG2 LYS 70 7.308 -16.293 17.848 566 HG3 LYS 70 HG3 LYS 70 7.024 -14.615 17.380 567 HD2 LYS 70 HD2 LYS 70 9.189 -14.535 19.146 568 HD3 LYS 70 HD3 LYS 70 9.488 -15.929 18.105 569 HE2 LYS 70 HE2 LYS 70 8.591 -13.929 16.387 570 HE3 LYS 70 HE3 LYS 70 9.669 -13.104 17.512 571 HZ1 LYS 70 HZ1 LYS 70 10.769 -15.581 16.639 572 HZ2 LYS 70 HZ2 LYS 70 11.428 -14.026 16.553 573 HZ3 LYS 70 HZ3 LYS 70 10.408 -14.581 15.323 574 H GLU 71 H GLU 71 5.161 -14.872 21.336 575 HA GLU 71 HA GLU 71 2.626 -14.023 20.693 576 HB2 GLU 71 HB2 GLU 71 3.056 -15.925 22.163 577 HB3 GLU 71 HB3 GLU 71 3.660 -14.845 23.412 578 HG2 GLU 71 HG2 GLU 71 1.592 -14.192 24.049 579 HG3 GLU 71 HG3 GLU 71 0.926 -14.329 22.422 580 H ALA 72 H ALA 72 5.047 -12.384 22.557 581 HA ALA 72 HA ALA 72 3.610 -10.620 24.095 582 HB1 ALA 72 HB1 ALA 72 6.274 -10.773 23.057 583 HB2 ALA 72 HB2 ALA 72 5.702 -9.106 22.984 584 HB3 ALA 72 HB3 ALA 72 5.690 -9.976 24.518 585 H VAL 73 H VAL 73 4.831 -9.841 20.829 586 HA VAL 73 HA VAL 73 3.388 -7.484 20.497 587 HB VAL 73 HB VAL 73 4.567 -9.433 18.547 588 HG11 VAL 73 HG11 VAL 73 2.826 -8.763 17.199 589 HG12 VAL 73 HG12 VAL 73 2.705 -7.175 17.960 590 HG13 VAL 73 HG13 VAL 73 4.029 -7.524 16.847 591 HG21 VAL 73 HG21 VAL 73 6.157 -7.729 18.152 592 HG22 VAL 73 HG22 VAL 73 5.166 -6.512 18.956 593 HG23 VAL 73 HG23 VAL 73 5.935 -7.787 19.901 594 H LYS 74 H LYS 74 2.560 -10.782 19.455 595 HA LYS 74 HA LYS 74 0.155 -10.227 18.182 596 HB2 LYS 74 HB2 LYS 74 0.845 -12.685 19.804 597 HB3 LYS 74 HB3 LYS 74 -0.430 -12.572 18.598 598 HG2 LYS 74 HG2 LYS 74 1.062 -12.516 16.833 599 HG3 LYS 74 HG3 LYS 74 2.401 -11.979 17.850 600 HD2 LYS 74 HD2 LYS 74 3.048 -14.124 17.813 601 HD3 LYS 74 HD3 LYS 74 1.743 -14.391 18.971 602 HE2 LYS 74 HE2 LYS 74 0.875 -14.385 16.177 603 HE3 LYS 74 HE3 LYS 74 2.020 -15.668 16.567 604 HZ1 LYS 74 HZ1 LYS 74 -0.658 -15.179 17.705 605 HZ2 LYS 74 HZ2 LYS 74 0.487 -16.088 18.555 606 HZ3 LYS 74 HZ3 LYS 74 -0.035 -16.599 17.029 607 H VAL 75 H VAL 75 0.845 -10.697 21.605 608 HA VAL 75 HA VAL 75 -1.819 -10.818 22.514 609 HB VAL 75 HB VAL 75 0.748 -10.026 23.871 610 HG11 VAL 75 HG11 VAL 75 -0.700 -10.284 25.999 611 HG12 VAL 75 HG12 VAL 75 -0.745 -8.757 25.115 612 HG13 VAL 75 HG13 VAL 75 -2.052 -9.926 24.925 613 HG21 VAL 75 HG21 VAL 75 -0.533 -12.482 23.297 614 HG22 VAL 75 HG22 VAL 75 0.945 -12.211 24.220 615 HG23 VAL 75 HG23 VAL 75 -0.615 -12.237 25.042 616 H VAL 76 H VAL 76 0.184 -8.177 21.516 617 HA VAL 76 HA VAL 76 -1.391 -6.136 22.801 618 HB VAL 76 HB VAL 76 0.916 -6.126 20.898 619 HG11 VAL 76 HG11 VAL 76 -0.422 -4.460 19.892 620 HG12 VAL 76 HG12 VAL 76 -0.929 -3.817 21.455 621 HG13 VAL 76 HG13 VAL 76 0.735 -3.602 20.909 622 HG21 VAL 76 HG21 VAL 76 1.548 -6.234 23.163 623 HG22 VAL 76 HG22 VAL 76 1.769 -4.546 22.702 624 HG23 VAL 76 HG23 VAL 76 0.354 -5.027 23.639 625 H LEU 77 H LEU 77 -0.884 -7.170 19.428 626 HA LEU 77 HA LEU 77 -2.855 -5.451 18.343 627 HB2 LEU 77 HB2 LEU 77 -2.714 -7.100 16.386 628 HB3 LEU 77 HB3 LEU 77 -1.273 -6.181 16.814 629 HG LEU 77 HG LEU 77 -1.168 -8.624 18.240 630 HD11 LEU 77 HD11 LEU 77 -0.979 -9.889 15.841 631 HD12 LEU 77 HD12 LEU 77 -2.392 -8.865 15.590 632 HD13 LEU 77 HD13 LEU 77 -2.357 -10.003 16.935 633 HD21 LEU 77 HD21 LEU 77 0.768 -7.373 17.567 634 HD22 LEU 77 HD22 LEU 77 0.350 -7.558 15.863 635 HD23 LEU 77 HD23 LEU 77 0.834 -8.965 16.811 636 H LYS 78 H LYS 78 -2.893 -8.956 18.987 637 HA LYS 78 HA LYS 78 -5.448 -9.567 18.209 638 HB2 LYS 78 HB2 LYS 78 -3.576 -11.055 19.241 639 HB3 LYS 78 HB3 LYS 78 -4.364 -10.692 20.771 640 HG2 LYS 78 HG2 LYS 78 -6.353 -11.489 18.901 641 HG3 LYS 78 HG3 LYS 78 -5.039 -12.668 18.871 642 HD2 LYS 78 HD2 LYS 78 -6.130 -13.556 20.631 643 HD3 LYS 78 HD3 LYS 78 -5.309 -12.283 21.537 644 HE2 LYS 78 HE2 LYS 78 -7.631 -12.260 22.131 645 HE3 LYS 78 HE3 LYS 78 -7.290 -10.826 21.164 646 HZ1 LYS 78 HZ1 LYS 78 -8.846 -13.214 20.460 647 HZ2 LYS 78 HZ2 LYS 78 -8.059 -12.363 19.228 648 HZ3 LYS 78 HZ3 LYS 78 -9.204 -11.582 20.197 649 H GLY 79 H GLY 79 -4.419 -8.197 21.314 650 HA2 GLY 79 HA2 GLY 79 -7.131 -8.098 22.312 651 HA3 GLY 79 HA3 GLY 79 -5.697 -7.481 23.118 652 H LEU 80 H LEU 80 -4.989 -5.977 20.602 653 HA LEU 80 HA LEU 80 -6.311 -3.544 21.310 654 HB2 LEU 80 HB2 LEU 80 -4.207 -4.373 19.394 655 HB3 LEU 80 HB3 LEU 80 -5.075 -2.880 19.040 656 HG LEU 80 HG LEU 80 -3.571 -3.437 21.596 657 HD11 LEU 80 HD11 LEU 80 -2.761 -1.564 19.393 658 HD12 LEU 80 HD12 LEU 80 -2.196 -3.232 19.473 659 HD13 LEU 80 HD13 LEU 80 -1.814 -2.108 20.778 660 HD21 LEU 80 HD21 LEU 80 -5.580 -1.580 21.034 661 HD22 LEU 80 HD22 LEU 80 -4.068 -0.675 20.952 662 HD23 LEU 80 HD23 LEU 80 -4.478 -1.580 22.410 663 H LYS 81 H LYS 81 -6.723 -5.966 18.838 664 HA LYS 81 HA LYS 81 -8.178 -4.606 16.924 665 HB2 LYS 81 HB2 LYS 81 -8.333 -7.444 17.914 666 HB3 LYS 81 HB3 LYS 81 -9.364 -6.871 16.609 667 HG2 LYS 81 HG2 LYS 81 -6.699 -6.095 16.024 668 HG3 LYS 81 HG3 LYS 81 -6.693 -7.801 16.478 669 HD2 LYS 81 HD2 LYS 81 -8.090 -8.404 14.733 670 HD3 LYS 81 HD3 LYS 81 -8.748 -6.774 14.562 671 HE2 LYS 81 HE2 LYS 81 -7.179 -6.203 13.084 672 HE3 LYS 81 HE3 LYS 81 -5.888 -6.842 14.100 673 HZ1 LYS 81 HZ1 LYS 81 -6.062 -7.957 11.929 674 HZ2 LYS 81 HZ2 LYS 81 -7.612 -8.496 12.337 675 HZ3 LYS 81 HZ3 LYS 81 -6.272 -9.025 13.224 676 H VAL 82 H VAL 82 -9.501 -6.389 19.718 677 HA VAL 82 HA VAL 82 -12.172 -5.634 19.339 678 HB VAL 82 HB VAL 82 -10.976 -6.134 22.054 679 HG11 VAL 82 HG11 VAL 82 -13.196 -5.716 22.400 680 HG12 VAL 82 HG12 VAL 82 -13.671 -6.313 20.809 681 HG13 VAL 82 HG13 VAL 82 -13.263 -7.451 22.094 682 HG21 VAL 82 HG21 VAL 82 -11.490 -8.580 21.527 683 HG22 VAL 82 HG22 VAL 82 -11.484 -8.092 19.833 684 HG23 VAL 82 HG23 VAL 82 -10.033 -7.889 20.814 685 H MET 83 H MET 83 -9.583 -3.691 20.062 686 HA MET 83 HA MET 83 -11.198 -1.774 21.593 687 HB2 MET 83 HB2 MET 83 -8.958 -2.449 22.489 688 HB3 MET 83 HB3 MET 83 -8.222 -1.710 21.073 689 HG2 MET 83 HG2 MET 83 -8.074 -0.182 22.897 690 HG3 MET 83 HG3 MET 83 -9.233 0.449 21.729 691 HE1 MET 83 HE1 MET 83 -9.571 1.259 25.481 692 HE2 MET 83 HE2 MET 83 -9.420 -0.432 25.958 693 HE3 MET 83 HE3 MET 83 -8.242 0.282 24.856 694 H ASN 84 H ASN 84 -10.136 -2.435 18.474 695 HA ASN 84 HA ASN 84 -10.444 -1.301 16.515 696 HB2 ASN 84 HB2 ASN 84 -11.326 1.151 18.011 697 HB3 ASN 84 HB3 ASN 84 -11.822 0.589 16.418 698 HD21 ASN 84 HD21 ASN 84 -12.932 -1.608 16.468 699 HD22 ASN 84 HD22 ASN 84 -14.114 -1.830 17.708 700 H LEU 85 H LEU 85 -8.008 -1.231 18.134 701 HA LEU 85 HA LEU 85 -6.877 1.395 17.566 702 HB2 LEU 85 HB2 LEU 85 -6.277 -0.808 19.363 703 HB3 LEU 85 HB3 LEU 85 -4.842 -0.210 18.533 704 HG LEU 85 HG LEU 85 -4.870 1.002 20.512 705 HD11 LEU 85 HD11 LEU 85 -6.480 2.925 18.899 706 HD12 LEU 85 HD12 LEU 85 -4.931 2.355 18.279 707 HD13 LEU 85 HD13 LEU 85 -5.005 3.191 19.830 708 HD21 LEU 85 HD21 LEU 85 -7.660 0.462 20.451 709 HD22 LEU 85 HD22 LEU 85 -7.435 2.198 20.668 710 HD23 LEU 85 HD23 LEU 85 -6.682 1.063 21.789 711 H LEU 86 H LEU 86 -7.636 -0.474 15.415 712 HA LEU 86 HA LEU 86 -5.353 -1.688 14.294 713 HB2 LEU 86 HB2 LEU 86 -6.628 -1.916 12.298 714 HB3 LEU 86 HB3 LEU 86 -7.710 -2.169 13.666 715 HG LEU 86 HG LEU 86 -8.119 0.462 13.201 716 HD11 LEU 86 HD11 LEU 86 -8.274 -0.352 10.419 717 HD12 LEU 86 HD12 LEU 86 -6.615 -0.275 11.010 718 HD13 LEU 86 HD13 LEU 86 -7.660 1.140 11.131 719 HD21 LEU 86 HD21 LEU 86 -10.190 -0.194 12.172 720 HD22 LEU 86 HD22 LEU 86 -9.791 -1.354 13.439 721 HD23 LEU 86 HD23 LEU 86 -9.527 -1.772 11.745 722 H GLU 87 H GLU 87 -6.114 1.556 14.699 723 HA GLU 87 HA GLU 87 -5.234 2.812 12.398 724 HB2 GLU 87 HB2 GLU 87 -6.231 4.049 14.231 725 HB3 GLU 87 HB3 GLU 87 -4.871 3.661 15.276 726 HG2 GLU 87 HG2 GLU 87 -3.916 5.547 14.642 727 HG3 GLU 87 HG3 GLU 87 -3.760 4.877 13.019 728 H LEU 88 H LEU 88 -3.191 2.553 15.304 729 HA LEU 88 HA LEU 88 -0.801 2.828 13.739 730 HB2 LEU 88 HB2 LEU 88 -0.949 2.003 16.624 731 HB3 LEU 88 HB3 LEU 88 0.371 2.822 15.790 732 HG LEU 88 HG LEU 88 -0.524 4.531 17.040 733 HD11 LEU 88 HD11 LEU 88 -2.046 4.583 14.440 734 HD12 LEU 88 HD12 LEU 88 -0.452 5.268 14.755 735 HD13 LEU 88 HD13 LEU 88 -1.877 5.957 15.532 736 HD21 LEU 88 HD21 LEU 88 -2.804 2.858 17.137 737 HD22 LEU 88 HD22 LEU 88 -3.335 4.450 16.592 738 HD23 LEU 88 HD23 LEU 88 -2.450 4.286 18.110 739 H VAL 89 H VAL 89 -2.539 0.200 15.278 740 HA VAL 89 HA VAL 89 -0.590 -1.786 15.231 741 HB VAL 89 HB VAL 89 -3.572 -1.823 15.140 742 HG11 VAL 89 HG11 VAL 89 -3.370 -4.374 15.242 743 HG12 VAL 89 HG12 VAL 89 -3.220 -3.603 13.662 744 HG13 VAL 89 HG13 VAL 89 -1.778 -4.147 14.519 745 HG21 VAL 89 HG21 VAL 89 -1.788 -1.745 17.164 746 HG22 VAL 89 HG22 VAL 89 -3.408 -2.425 17.308 747 HG23 VAL 89 HG23 VAL 89 -2.029 -3.485 17.018 748 H ASP 90 H ASP 90 -2.458 -0.407 12.649 749 HA ASP 90 HA ASP 90 -2.517 -2.274 10.689 750 HB2 ASP 90 HB2 ASP 90 -3.311 0.025 10.377 751 HB3 ASP 90 HB3 ASP 90 -1.648 0.604 10.344 752 H GLN 91 H GLN 91 0.297 -0.193 11.365 753 HA GLN 91 HA GLN 91 1.973 -1.664 9.553 754 HB2 GLN 91 HB2 GLN 91 2.150 0.783 11.111 755 HB3 GLN 91 HB3 GLN 91 3.637 -0.152 11.193 756 HG2 GLN 91 HG2 GLN 91 4.185 0.853 9.290 757 HG3 GLN 91 HG3 GLN 91 3.029 -0.237 8.525 758 HE21 GLN 91 HE21 GLN 91 0.674 0.623 8.801 759 HE22 GLN 91 HE22 GLN 91 0.458 2.278 8.357 760 H LEU 92 H LEU 92 2.156 -1.106 13.074 761 HA LEU 92 HA LEU 92 4.130 -2.716 13.863 762 HB2 LEU 92 HB2 LEU 92 2.876 -1.609 15.519 763 HB3 LEU 92 HB3 LEU 92 1.388 -2.430 15.052 764 HG LEU 92 HG LEU 92 2.551 -3.110 17.248 765 HD11 LEU 92 HD11 LEU 92 0.879 -4.418 15.500 766 HD12 LEU 92 HD12 LEU 92 1.259 -4.923 17.146 767 HD13 LEU 92 HD13 LEU 92 2.161 -5.595 15.787 768 HD21 LEU 92 HD21 LEU 92 4.481 -4.270 17.218 769 HD22 LEU 92 HD22 LEU 92 4.734 -3.422 15.692 770 HD23 LEU 92 HD23 LEU 92 4.103 -5.069 15.692 771 H SER 93 H SER 93 0.853 -3.920 13.166 772 HA SER 93 HA SER 93 1.401 -6.634 13.611 773 HB2 SER 93 HB2 SER 93 -0.866 -6.268 13.501 774 HB3 SER 93 HB3 SER 93 -0.723 -5.108 12.181 775 HG SER 93 HG SER 93 -1.118 -6.681 10.864 776 H HIS 94 H HIS 94 1.444 -4.730 10.612 777 HA HIS 94 HA HIS 94 2.283 -6.925 8.988 778 HB2 HIS 94 HB2 HIS 94 1.476 -4.200 8.590 779 HB3 HIS 94 HB3 HIS 94 2.982 -4.491 7.724 780 HD1 HIS 94 HD1 HIS 94 1.918 -4.454 5.406 781 HD2 HIS 94 HD2 HIS 94 0.241 -7.279 7.950 782 HE1 HIS 94 HE1 HIS 94 0.467 -5.898 3.945 783 H ILE 95 H ILE 95 3.881 -5.327 11.343 784 HA ILE 95 HA ILE 95 6.475 -5.353 9.969 785 HB ILE 95 HB ILE 95 5.640 -4.149 12.606 786 HG12 ILE 95 HG12 ILE 95 6.832 -2.742 10.226 787 HG13 ILE 95 HG13 ILE 95 5.100 -3.035 10.342 788 HG21 ILE 95 HG21 ILE 95 8.295 -4.845 11.564 789 HG22 ILE 95 HG22 ILE 95 8.137 -3.196 12.167 790 HG23 ILE 95 HG23 ILE 95 7.763 -4.559 13.221 791 HD11 ILE 95 HD11 ILE 95 4.830 -1.556 12.069 792 HD12 ILE 95 HD12 ILE 95 6.504 -1.707 12.605 793 HD13 ILE 95 HD13 ILE 95 6.122 -0.784 11.151 794 H CYS 96 H CYS 96 4.726 -6.755 12.679 795 HA CYS 96 HA CYS 96 7.029 -8.455 13.310 796 HB2 CYS 96 HB2 CYS 96 5.835 -7.194 15.139 797 HB3 CYS 96 HB3 CYS 96 4.436 -8.217 14.841 798 HG CYS 96 HG CYS 96 5.293 -10.381 16.033 799 H LEU 97 H LEU 97 3.633 -8.602 12.363 800 HA LEU 97 HA LEU 97 3.912 -11.498 11.934 801 HB2 LEU 97 HB2 LEU 97 1.342 -9.941 11.930 802 HB3 LEU 97 HB3 LEU 97 1.560 -11.684 12.081 803 HG LEU 97 HG LEU 97 1.047 -11.143 14.240 804 HD11 LEU 97 HD11 LEU 97 3.899 -10.414 14.617 805 HD12 LEU 97 HD12 LEU 97 3.534 -11.973 13.879 806 HD13 LEU 97 HD13 LEU 97 2.903 -11.587 15.480 807 HD21 LEU 97 HD21 LEU 97 2.141 -8.496 13.511 808 HD22 LEU 97 HD22 LEU 97 2.257 -8.958 15.210 809 HD23 LEU 97 HD23 LEU 97 0.684 -8.917 14.412 810 H HIS 98 H HIS 98 2.273 -12.195 10.077 811 HA HIS 98 HA HIS 98 3.262 -10.876 7.688 812 HB2 HIS 98 HB2 HIS 98 3.032 -13.452 8.151 813 HB3 HIS 98 HB3 HIS 98 1.371 -13.198 7.624 814 HD1 HIS 98 HD1 HIS 98 3.370 -14.948 6.019 815 HD2 HIS 98 HD2 HIS 98 2.579 -10.943 5.249 816 HE1 HIS 98 HE1 HIS 98 3.983 -14.594 3.606 817 H ASP 99 H ASP 99 0.033 -12.128 8.539 818 HA ASP 99 HA ASP 99 -1.182 -10.046 6.908 819 HB2 ASP 99 HB2 ASP 99 -2.382 -12.411 8.364 820 HB3 ASP 99 HB3 ASP 99 -3.299 -11.280 7.373 821 H TYR 100 H TYR 100 -2.148 -11.383 10.062 822 HA TYR 100 HA TYR 100 -2.318 -8.646 11.111 823 HB2 TYR 100 HB2 TYR 100 -4.474 -9.398 12.270 824 HB3 TYR 100 HB3 TYR 100 -4.571 -9.053 10.547 825 HD1 TYR 100 HD1 TYR 100 -4.509 -11.739 13.070 826 HD2 TYR 100 HD2 TYR 100 -5.095 -10.772 8.969 827 HE1 TYR 100 HE1 TYR 100 -5.446 -13.980 12.682 828 HE2 TYR 100 HE2 TYR 100 -6.035 -13.009 8.569 829 HH TYR 100 HH TYR 100 -6.316 -15.381 11.201 830 H ARG 101 H ARG 101 -1.958 -12.072 11.669 831 HA ARG 101 HA ARG 101 -0.508 -11.536 14.116 832 HB2 ARG 101 HB2 ARG 101 -2.672 -11.721 15.086 833 HB3 ARG 101 HB3 ARG 101 -3.080 -13.107 14.083 834 HG2 ARG 101 HG2 ARG 101 -1.835 -14.568 15.355 835 HG3 ARG 101 HG3 ARG 101 -0.796 -13.291 15.991 836 HD2 ARG 101 HD2 ARG 101 -2.261 -14.063 17.739 837 HD3 ARG 101 HD3 ARG 101 -2.720 -12.423 17.280 838 HE ARG 101 HE ARG 101 -4.759 -13.231 16.661 839 HH11 ARG 101 HH11 ARG 101 -2.492 -15.872 16.723 840 HH12 ARG 101 HH12 ARG 101 -3.692 -17.081 16.404 841 HH21 ARG 101 HH21 ARG 101 -6.347 -14.812 16.240 842 HH22 ARG 101 HH22 ARG 101 -5.884 -16.476 16.128 843 H GLU 102 H GLU 102 1.037 -13.049 14.530 844 HA GLU 102 HA GLU 102 1.714 -14.861 12.450 845 HB2 GLU 102 HB2 GLU 102 2.923 -13.859 14.883 846 HB3 GLU 102 HB3 GLU 102 3.192 -15.588 14.712 847 HG2 GLU 102 HG2 GLU 102 4.252 -15.297 12.604 848 HG3 GLU 102 HG3 GLU 102 3.785 -13.599 12.539 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -4.840 -10.303 3.985 2 HA2 GLY 1 HA2 GLY 1 -3.901 -10.021 1.452 3 HA3 GLY 1 HA3 GLY 1 -3.758 -8.398 2.110 4 H ALA 2 H ALA 2 -1.690 -10.326 1.244 5 HA ALA 2 HA ALA 2 -0.179 -10.444 3.772 6 HB1 ALA 2 HB1 ALA 2 0.398 -12.358 1.556 7 HB2 ALA 2 HB2 ALA 2 0.685 -12.522 3.289 8 HB3 ALA 2 HB3 ALA 2 -0.952 -12.668 2.648 9 H MET 3 H MET 3 0.549 -8.286 3.155 10 HA MET 3 HA MET 3 2.403 -8.214 0.888 11 HB2 MET 3 HB2 MET 3 1.611 -5.885 2.629 12 HB3 MET 3 HB3 MET 3 2.303 -5.844 1.013 13 HG2 MET 3 HG2 MET 3 -0.454 -6.804 1.740 14 HG3 MET 3 HG3 MET 3 -0.050 -5.273 0.969 15 HE1 MET 3 HE1 MET 3 -1.842 -8.427 -0.632 16 HE2 MET 3 HE2 MET 3 -2.138 -6.864 0.130 17 HE3 MET 3 HE3 MET 3 -1.987 -6.976 -1.624 18 H ALA 4 H ALA 4 4.186 -6.314 1.643 19 HA ALA 4 HA ALA 4 5.589 -7.592 3.897 20 HB1 ALA 4 HB1 ALA 4 6.504 -6.668 1.246 21 HB2 ALA 4 HB2 ALA 4 7.589 -6.362 2.602 22 HB3 ALA 4 HB3 ALA 4 7.071 -8.009 2.242 23 H MET 5 H MET 5 6.115 -4.522 2.187 24 HA MET 5 HA MET 5 6.492 -2.416 2.972 25 HB2 MET 5 HB2 MET 5 4.049 -3.376 4.362 26 HB3 MET 5 HB3 MET 5 4.779 -1.894 4.964 27 HG2 MET 5 HG2 MET 5 4.593 -0.876 2.778 28 HG3 MET 5 HG3 MET 5 3.947 -2.375 2.113 29 HE1 MET 5 HE1 MET 5 0.338 -2.481 3.106 30 HE2 MET 5 HE2 MET 5 1.426 -2.606 1.723 31 HE3 MET 5 HE3 MET 5 1.759 -3.523 3.193 32 H ALA 6 H ALA 6 8.592 -2.887 3.782 33 HA ALA 6 HA ALA 6 8.715 -2.963 6.726 34 HB1 ALA 6 HB1 ALA 6 9.512 -5.048 5.434 35 HB2 ALA 6 HB2 ALA 6 10.913 -4.061 5.014 36 HB3 ALA 6 HB3 ALA 6 10.545 -4.394 6.706 37 H LYS 7 H LYS 7 10.268 -1.677 7.728 38 HA LYS 7 HA LYS 7 11.930 0.050 6.066 39 HB2 LYS 7 HB2 LYS 7 9.501 0.991 6.830 40 HB3 LYS 7 HB3 LYS 7 10.482 1.487 8.203 41 HG2 LYS 7 HG2 LYS 7 11.187 3.234 7.049 42 HG3 LYS 7 HG3 LYS 7 11.924 2.150 5.868 43 HD2 LYS 7 HD2 LYS 7 9.590 1.990 4.831 44 HD3 LYS 7 HD3 LYS 7 9.189 3.394 5.823 45 HE2 LYS 7 HE2 LYS 7 11.680 3.841 4.481 46 HE3 LYS 7 HE3 LYS 7 10.461 3.345 3.308 47 HZ1 LYS 7 HZ1 LYS 7 10.426 5.716 3.546 48 HZ2 LYS 7 HZ2 LYS 7 10.252 5.603 5.224 49 HZ3 LYS 7 HZ3 LYS 7 9.001 5.090 4.208 50 H ALA 8 H ALA 8 13.709 0.938 7.144 51 HA ALA 8 HA ALA 8 14.639 -0.579 9.378 52 HB1 ALA 8 HB1 ALA 8 16.295 0.033 7.838 53 HB2 ALA 8 HB2 ALA 8 15.778 1.720 7.820 54 HB3 ALA 8 HB3 ALA 8 16.589 1.062 9.241 55 H ARG 9 H ARG 9 14.461 -0.150 11.480 56 HA ARG 9 HA ARG 9 14.566 2.379 12.662 57 HB2 ARG 9 HB2 ARG 9 12.018 1.783 11.546 58 HB3 ARG 9 HB3 ARG 9 11.863 1.717 13.297 59 HG2 ARG 9 HG2 ARG 9 12.278 3.939 13.561 60 HG3 ARG 9 HG3 ARG 9 13.297 4.032 12.123 61 HD2 ARG 9 HD2 ARG 9 10.421 3.416 11.735 62 HD3 ARG 9 HD3 ARG 9 10.845 5.061 12.206 63 HE ARG 9 HE ARG 9 11.222 3.870 9.652 64 HH11 ARG 9 HH11 ARG 9 12.609 6.145 11.892 65 HH12 ARG 9 HH12 ARG 9 13.405 7.070 10.662 66 HH21 ARG 9 HH21 ARG 9 12.265 5.079 8.023 67 HH22 ARG 9 HH22 ARG 9 13.207 6.463 8.461 68 H LYS 10 H LYS 10 13.090 2.089 14.936 69 HA LYS 10 HA LYS 10 14.282 -0.322 16.115 70 HB2 LYS 10 HB2 LYS 10 13.268 2.174 17.488 71 HB3 LYS 10 HB3 LYS 10 14.104 0.834 18.260 72 HG2 LYS 10 HG2 LYS 10 15.527 2.097 16.015 73 HG3 LYS 10 HG3 LYS 10 15.310 3.097 17.453 74 HD2 LYS 10 HD2 LYS 10 16.161 1.000 18.726 75 HD3 LYS 10 HD3 LYS 10 16.782 0.507 17.149 76 HE2 LYS 10 HE2 LYS 10 17.365 3.283 17.949 77 HE3 LYS 10 HE3 LYS 10 18.153 2.030 18.907 78 HZ1 LYS 10 HZ1 LYS 10 19.106 2.992 16.596 79 HZ2 LYS 10 HZ2 LYS 10 18.271 1.628 16.046 80 HZ3 LYS 10 HZ3 LYS 10 19.484 1.463 17.214 81 HA PRO 11 HA PRO 11 9.936 -1.633 16.098 82 HB2 PRO 11 HB2 PRO 11 10.518 -4.272 16.356 83 HB3 PRO 11 HB3 PRO 11 10.562 -3.426 14.804 84 HG2 PRO 11 HG2 PRO 11 12.817 -4.131 16.642 85 HG3 PRO 11 HG3 PRO 11 12.733 -4.256 14.875 86 HD2 PRO 11 HD2 PRO 11 13.992 -2.216 16.133 87 HD3 PRO 11 HD3 PRO 11 13.174 -2.014 14.570 88 H ARG 12 H ARG 12 12.416 -3.095 18.211 89 HA ARG 12 HA ARG 12 10.747 -3.928 20.261 90 HB2 ARG 12 HB2 ARG 12 12.778 -3.738 21.722 91 HB3 ARG 12 HB3 ARG 12 13.027 -4.643 20.235 92 HG2 ARG 12 HG2 ARG 12 13.899 -2.431 19.270 93 HG3 ARG 12 HG3 ARG 12 13.999 -1.904 20.951 94 HD2 ARG 12 HD2 ARG 12 16.135 -2.784 20.265 95 HD3 ARG 12 HD3 ARG 12 15.407 -3.875 21.444 96 HE ARG 12 HE ARG 12 14.643 -4.911 19.057 97 HH11 ARG 12 HH11 ARG 12 17.713 -4.018 20.433 98 HH12 ARG 12 HH12 ARG 12 18.603 -5.216 19.553 99 HH21 ARG 12 HH21 ARG 12 15.804 -6.493 17.893 100 HH22 ARG 12 HH22 ARG 12 17.516 -6.622 18.108 101 H GLU 13 H GLU 13 12.418 -0.812 19.894 102 HA GLU 13 HA GLU 13 11.451 0.312 22.300 103 HB2 GLU 13 HB2 GLU 13 12.559 1.526 19.775 104 HB3 GLU 13 HB3 GLU 13 12.046 2.511 21.138 105 HG2 GLU 13 HG2 GLU 13 13.639 0.987 22.505 106 HG3 GLU 13 HG3 GLU 13 14.342 0.617 20.931 107 H ALA 14 H ALA 14 9.985 -0.239 19.261 108 HA ALA 14 HA ALA 14 8.064 1.857 19.309 109 HB1 ALA 14 HB1 ALA 14 8.852 0.161 17.404 110 HB2 ALA 14 HB2 ALA 14 7.393 -0.675 17.935 111 HB3 ALA 14 HB3 ALA 14 7.296 0.990 17.362 112 H LEU 15 H LEU 15 8.088 -1.475 20.477 113 HA LEU 15 HA LEU 15 5.344 -1.548 21.211 114 HB2 LEU 15 HB2 LEU 15 6.839 -3.527 20.821 115 HB3 LEU 15 HB3 LEU 15 7.585 -3.183 22.380 116 HG LEU 15 HG LEU 15 5.782 -5.016 22.241 117 HD11 LEU 15 HD11 LEU 15 5.996 -4.804 24.435 118 HD12 LEU 15 HD12 LEU 15 4.782 -3.526 24.415 119 HD13 LEU 15 HD13 LEU 15 6.490 -3.121 24.252 120 HD21 LEU 15 HD21 LEU 15 4.261 -3.293 20.994 121 HD22 LEU 15 HD22 LEU 15 3.855 -2.772 22.629 122 HD23 LEU 15 HD23 LEU 15 3.559 -4.439 22.136 123 H LEU 16 H LEU 16 8.309 -0.686 22.907 124 HA LEU 16 HA LEU 16 7.144 -0.466 25.485 125 HB2 LEU 16 HB2 LEU 16 9.531 1.106 24.586 126 HB3 LEU 16 HB3 LEU 16 9.179 0.448 26.182 127 HG LEU 16 HG LEU 16 9.907 -1.201 23.763 128 HD11 LEU 16 HD11 LEU 16 11.609 0.429 25.086 129 HD12 LEU 16 HD12 LEU 16 12.079 -1.091 24.325 130 HD13 LEU 16 HD13 LEU 16 11.740 -1.040 26.054 131 HD21 LEU 16 HD21 LEU 16 8.957 -1.824 26.463 132 HD22 LEU 16 HD22 LEU 16 10.414 -2.696 25.983 133 HD23 LEU 16 HD23 LEU 16 8.953 -2.809 24.999 134 H TRP 17 H TRP 17 7.803 1.879 22.913 135 HA TRP 17 HA TRP 17 6.819 4.114 24.396 136 HB2 TRP 17 HB2 TRP 17 8.455 4.107 22.395 137 HB3 TRP 17 HB3 TRP 17 7.007 4.014 21.395 138 HD1 TRP 17 HD1 TRP 17 7.953 6.255 24.437 139 HE1 TRP 17 HE1 TRP 17 7.405 8.691 23.812 140 HE3 TRP 17 HE3 TRP 17 6.233 5.507 19.681 141 HZ2 TRP 17 HZ2 TRP 17 6.379 10.108 21.597 142 HZ3 TRP 17 HZ3 TRP 17 5.487 7.455 18.377 143 HH2 TRP 17 HH2 TRP 17 5.559 9.707 19.317 144 H ALA 18 H ALA 18 5.428 1.789 22.187 145 HA ALA 18 HA ALA 18 2.991 3.218 21.747 146 HB1 ALA 18 HB1 ALA 18 3.462 0.263 21.400 147 HB2 ALA 18 HB2 ALA 18 2.224 1.254 20.627 148 HB3 ALA 18 HB3 ALA 18 3.923 1.481 20.210 149 H LEU 19 H LEU 19 3.664 0.215 23.561 150 HA LEU 19 HA LEU 19 1.210 -0.074 24.783 151 HB2 LEU 19 HB2 LEU 19 2.234 -1.544 26.289 152 HB3 LEU 19 HB3 LEU 19 3.195 -1.647 24.816 153 HG LEU 19 HG LEU 19 4.722 0.092 26.016 154 HD11 LEU 19 HD11 LEU 19 3.637 0.697 27.943 155 HD12 LEU 19 HD12 LEU 19 4.669 -0.602 28.540 156 HD13 LEU 19 HD13 LEU 19 2.967 -0.914 28.204 157 HD21 LEU 19 HD21 LEU 19 5.808 -1.860 25.615 158 HD22 LEU 19 HD22 LEU 19 4.526 -2.849 26.315 159 HD23 LEU 19 HD23 LEU 19 5.662 -2.003 27.367 160 H SER 20 H SER 20 3.760 2.167 25.508 161 HA SER 20 HA SER 20 2.581 2.927 28.057 162 HB2 SER 20 HB2 SER 20 4.901 3.017 28.216 163 HB3 SER 20 HB3 SER 20 5.090 3.657 26.584 164 HG SER 20 HG SER 20 4.507 5.647 27.286 165 H ASP 21 H ASP 21 2.442 3.840 24.765 166 HA ASP 21 HA ASP 21 1.801 6.581 25.052 167 HB2 ASP 21 HB2 ASP 21 2.013 4.685 22.921 168 HB3 ASP 21 HB3 ASP 21 0.478 5.536 22.764 169 H LEU 22 H LEU 22 0.024 3.708 25.630 170 HA LEU 22 HA LEU 22 -2.529 5.151 25.600 171 HB2 LEU 22 HB2 LEU 22 -3.314 2.694 26.163 172 HB3 LEU 22 HB3 LEU 22 -2.977 3.211 24.512 173 HG LEU 22 HG LEU 22 -0.736 1.995 26.023 174 HD11 LEU 22 HD11 LEU 22 -2.729 0.601 26.585 175 HD12 LEU 22 HD12 LEU 22 -1.474 -0.246 25.683 176 HD13 LEU 22 HD13 LEU 22 -2.935 0.299 24.860 177 HD21 LEU 22 HD21 LEU 22 -0.596 2.833 23.673 178 HD22 LEU 22 HD22 LEU 22 -1.733 1.565 23.212 179 HD23 LEU 22 HD23 LEU 22 -0.154 1.137 23.872 180 H GLU 23 H GLU 23 -3.993 4.908 27.412 181 HA GLU 23 HA GLU 23 -2.716 5.393 29.895 182 HB2 GLU 23 HB2 GLU 23 -5.598 4.939 29.135 183 HB3 GLU 23 HB3 GLU 23 -5.098 5.259 30.790 184 HG2 GLU 23 HG2 GLU 23 -4.501 7.434 30.336 185 HG3 GLU 23 HG3 GLU 23 -4.269 7.123 28.617 186 H GLU 24 H GLU 24 -2.953 4.189 31.869 187 HA GLU 24 HA GLU 24 -2.277 1.481 31.625 188 HB2 GLU 24 HB2 GLU 24 -2.259 1.401 33.988 189 HB3 GLU 24 HB3 GLU 24 -1.776 3.037 33.566 190 HG2 GLU 24 HG2 GLU 24 -4.540 2.204 34.418 191 HG3 GLU 24 HG3 GLU 24 -3.337 2.975 35.450 192 H ASN 25 H ASN 25 -5.358 3.073 32.132 193 HA ASN 25 HA ASN 25 -6.800 0.696 32.789 194 HB2 ASN 25 HB2 ASN 25 -7.389 3.535 32.440 195 HB3 ASN 25 HB3 ASN 25 -8.670 2.495 31.821 196 HD21 ASN 25 HD21 ASN 25 -7.343 3.938 34.537 197 HD22 ASN 25 HD22 ASN 25 -8.242 3.090 35.745 198 H ASP 26 H ASP 26 -5.299 1.467 30.031 199 HA ASP 26 HA ASP 26 -7.385 0.313 28.303 200 HB2 ASP 26 HB2 ASP 26 -4.991 2.024 27.610 201 HB3 ASP 26 HB3 ASP 26 -6.036 1.261 26.415 202 H PHE 27 H PHE 27 -3.830 0.349 28.621 203 HA PHE 27 HA PHE 27 -3.316 -1.908 27.082 204 HB2 PHE 27 HB2 PHE 27 -1.479 -0.527 27.672 205 HB3 PHE 27 HB3 PHE 27 -1.820 -0.679 29.392 206 HD1 PHE 27 HD1 PHE 27 -0.534 -2.446 26.426 207 HD2 PHE 27 HD2 PHE 27 -0.973 -2.490 30.659 208 HE1 PHE 27 HE1 PHE 27 1.050 -4.323 26.567 209 HE2 PHE 27 HE2 PHE 27 0.611 -4.366 30.807 210 HZ PHE 27 HZ PHE 27 1.626 -5.285 28.760 211 H LYS 28 H LYS 28 -4.223 -1.627 30.463 212 HA LYS 28 HA LYS 28 -3.735 -4.341 31.152 213 HB2 LYS 28 HB2 LYS 28 -3.859 -2.638 32.873 214 HB3 LYS 28 HB3 LYS 28 -5.516 -2.255 32.423 215 HG2 LYS 28 HG2 LYS 28 -6.373 -4.052 33.501 216 HG3 LYS 28 HG3 LYS 28 -4.954 -5.055 33.193 217 HD2 LYS 28 HD2 LYS 28 -4.996 -2.756 35.142 218 HD3 LYS 28 HD3 LYS 28 -5.298 -4.435 35.595 219 HE2 LYS 28 HE2 LYS 28 -2.775 -3.291 34.406 220 HE3 LYS 28 HE3 LYS 28 -2.996 -3.910 36.042 221 HZ1 LYS 28 HZ1 LYS 28 -2.072 -5.720 35.067 222 HZ2 LYS 28 HZ2 LYS 28 -2.683 -5.368 33.530 223 HZ3 LYS 28 HZ3 LYS 28 -3.691 -6.051 34.704 224 H LYS 29 H LYS 29 -6.572 -2.577 30.011 225 HA LYS 29 HA LYS 29 -8.488 -4.581 30.352 226 HB2 LYS 29 HB2 LYS 29 -8.320 -2.034 29.062 227 HB3 LYS 29 HB3 LYS 29 -9.086 -3.170 27.960 228 HG2 LYS 29 HG2 LYS 29 -10.807 -2.123 29.206 229 HG3 LYS 29 HG3 LYS 29 -10.657 -3.775 29.812 230 HD2 LYS 29 HD2 LYS 29 -9.877 -3.104 31.837 231 HD3 LYS 29 HD3 LYS 29 -9.032 -1.706 31.169 232 HE2 LYS 29 HE2 LYS 29 -10.723 -0.665 32.313 233 HE3 LYS 29 HE3 LYS 29 -11.472 -0.844 30.728 234 HZ1 LYS 29 HZ1 LYS 29 -13.059 -1.558 32.282 235 HZ2 LYS 29 HZ2 LYS 29 -11.937 -2.473 33.155 236 HZ3 LYS 29 HZ3 LYS 29 -12.430 -2.982 31.619 237 H LEU 30 H LEU 30 -6.504 -3.826 27.493 238 HA LEU 30 HA LEU 30 -7.468 -5.942 25.902 239 HB2 LEU 30 HB2 LEU 30 -4.765 -5.360 25.228 240 HB3 LEU 30 HB3 LEU 30 -6.241 -4.916 24.373 241 HG LEU 30 HG LEU 30 -5.166 -3.278 26.653 242 HD11 LEU 30 HD11 LEU 30 -4.634 -2.688 23.761 243 HD12 LEU 30 HD12 LEU 30 -3.502 -3.614 24.746 244 HD13 LEU 30 HD13 LEU 30 -3.907 -1.957 25.192 245 HD21 LEU 30 HD21 LEU 30 -7.496 -2.918 25.994 246 HD22 LEU 30 HD22 LEU 30 -6.981 -2.628 24.332 247 HD23 LEU 30 HD23 LEU 30 -6.491 -1.519 25.614 248 H LYS 31 H LYS 31 -4.469 -5.659 27.806 249 HA LYS 31 HA LYS 31 -3.508 -8.239 27.315 250 HB2 LYS 31 HB2 LYS 31 -3.073 -6.278 29.552 251 HB3 LYS 31 HB3 LYS 31 -2.319 -7.867 29.582 252 HG2 LYS 31 HG2 LYS 31 -1.945 -5.732 27.493 253 HG3 LYS 31 HG3 LYS 31 -0.769 -6.259 28.700 254 HD2 LYS 31 HD2 LYS 31 -1.255 -8.615 27.548 255 HD3 LYS 31 HD3 LYS 31 -1.631 -7.565 26.179 256 HE2 LYS 31 HE2 LYS 31 0.778 -6.656 27.405 257 HE3 LYS 31 HE3 LYS 31 0.908 -8.391 27.122 258 HZ1 LYS 31 HZ1 LYS 31 0.750 -8.130 24.871 259 HZ2 LYS 31 HZ2 LYS 31 1.552 -6.696 25.272 260 HZ3 LYS 31 HZ3 LYS 31 -0.113 -6.678 24.969 261 H PHE 32 H PHE 32 -5.789 -7.033 29.699 262 HA PHE 32 HA PHE 32 -5.909 -9.193 31.431 263 HB2 PHE 32 HB2 PHE 32 -7.111 -7.277 32.074 264 HB3 PHE 32 HB3 PHE 32 -7.974 -7.195 30.541 265 HD1 PHE 32 HD2 PHE 32 -7.611 -9.285 33.592 266 HD2 PHE 32 HD1 PHE 32 -10.101 -8.094 30.352 267 HE1 PHE 32 HE2 PHE 32 -9.495 -10.510 34.594 268 HE2 PHE 32 HE1 PHE 32 -11.989 -9.317 31.349 269 HZ PHE 32 HZ PHE 32 -11.687 -10.528 33.472 270 H TYR 33 H TYR 33 -7.581 -8.698 28.353 271 HA TYR 33 HA TYR 33 -8.798 -11.342 28.538 272 HB2 TYR 33 HB2 TYR 33 -10.092 -9.338 27.733 273 HB3 TYR 33 HB3 TYR 33 -9.062 -9.322 26.306 274 HD1 TYR 33 HD2 TYR 33 -9.061 -11.379 24.808 275 HD2 TYR 33 HD1 TYR 33 -11.979 -10.730 27.835 276 HE1 TYR 33 HE2 TYR 33 -10.555 -12.994 23.707 277 HE2 TYR 33 HE1 TYR 33 -13.480 -12.344 26.743 278 HH TYR 33 HH TYR 33 -12.423 -14.376 24.156 279 H LEU 34 H LEU 34 -6.796 -9.527 26.213 280 HA LEU 34 HA LEU 34 -6.229 -11.640 24.492 281 HB2 LEU 34 HB2 LEU 34 -4.875 -9.070 25.157 282 HB3 LEU 34 HB3 LEU 34 -4.029 -10.242 24.148 283 HG LEU 34 HG LEU 34 -5.204 -8.473 22.867 284 HD11 LEU 34 HD11 LEU 34 -6.708 -10.842 22.058 285 HD12 LEU 34 HD12 LEU 34 -4.991 -11.142 22.328 286 HD13 LEU 34 HD13 LEU 34 -5.500 -9.905 21.178 287 HD21 LEU 34 HD21 LEU 34 -7.121 -8.200 24.376 288 HD22 LEU 34 HD22 LEU 34 -7.701 -9.801 23.917 289 HD23 LEU 34 HD23 LEU 34 -7.627 -8.512 22.716 290 H ARG 35 H ARG 35 -4.117 -10.350 27.066 291 HA ARG 35 HA ARG 35 -2.175 -12.344 26.930 292 HB2 ARG 35 HB2 ARG 35 -2.574 -10.066 28.437 293 HB3 ARG 35 HB3 ARG 35 -2.648 -11.349 29.637 294 HG2 ARG 35 HG2 ARG 35 -0.452 -12.050 28.157 295 HG3 ARG 35 HG3 ARG 35 -0.370 -10.287 28.167 296 HD2 ARG 35 HD2 ARG 35 -0.554 -12.105 30.566 297 HD3 ARG 35 HD3 ARG 35 0.852 -11.172 30.054 298 HE ARG 35 HE ARG 35 -1.343 -10.234 31.596 299 HH11 ARG 35 HH11 ARG 35 0.950 -9.270 29.160 300 HH12 ARG 35 HH12 ARG 35 0.901 -7.593 29.591 301 HH21 ARG 35 HH21 ARG 35 -1.417 -8.028 32.173 302 HH22 ARG 35 HH22 ARG 35 -0.445 -6.888 31.305 303 H ASP 36 H ASP 36 -5.191 -12.206 28.753 304 HA ASP 36 HA ASP 36 -4.891 -14.352 30.454 305 HB2 ASP 36 HB2 ASP 36 -6.870 -13.224 30.806 306 HB3 ASP 36 HB3 ASP 36 -7.238 -13.115 29.087 307 H MET 37 H MET 37 -6.132 -14.424 27.116 308 HA MET 37 HA MET 37 -6.064 -17.330 27.115 309 HB2 MET 37 HB2 MET 37 -7.376 -15.253 25.556 310 HB3 MET 37 HB3 MET 37 -6.660 -16.491 24.533 311 HG2 MET 37 HG2 MET 37 -7.877 -18.212 25.783 312 HG3 MET 37 HG3 MET 37 -8.613 -16.955 26.774 313 HE1 MET 37 HE1 MET 37 -10.806 -18.745 25.576 314 HE2 MET 37 HE2 MET 37 -10.982 -18.728 23.822 315 HE3 MET 37 HE3 MET 37 -9.515 -19.379 24.555 316 H THR 38 H THR 38 -4.861 -14.867 24.829 317 HA THR 38 HA THR 38 -3.133 -16.372 23.369 318 HB THR 38 HB THR 38 -1.864 -14.384 22.871 319 HG1 THR 38 HG1 THR 38 -2.593 -12.447 24.257 320 HG21 THR 38 HG21 THR 38 -3.567 -13.042 22.019 321 HG22 THR 38 HG22 THR 38 -4.619 -13.328 23.405 322 HG23 THR 38 HG23 THR 38 -4.359 -14.605 22.217 323 H LEU 39 H LEU 39 -2.451 -14.875 26.511 324 HA LEU 39 HA LEU 39 0.048 -16.426 26.637 325 HB2 LEU 39 HB2 LEU 39 -0.788 -13.811 27.814 326 HB3 LEU 39 HB3 LEU 39 0.462 -14.767 28.608 327 HG LEU 39 HG LEU 39 1.413 -14.705 26.073 328 HD11 LEU 39 HD11 LEU 39 0.664 -11.877 26.308 329 HD12 LEU 39 HD12 LEU 39 -0.647 -12.964 25.851 330 HD13 LEU 39 HD13 LEU 39 0.823 -12.899 24.879 331 HD21 LEU 39 HD21 LEU 39 2.967 -14.162 27.634 332 HD22 LEU 39 HD22 LEU 39 1.868 -13.110 28.527 333 HD23 LEU 39 HD23 LEU 39 2.626 -12.537 27.040 334 H SER 40 H SER 40 0.665 -16.964 28.989 335 HA SER 40 HA SER 40 -1.702 -17.772 30.530 336 HB2 SER 40 HB2 SER 40 0.236 -19.516 29.215 337 HB3 SER 40 HB3 SER 40 0.094 -19.844 30.942 338 HG SER 40 HG SER 40 -2.212 -19.535 29.360 339 H GLU 41 H GLU 41 -1.415 -16.373 32.196 340 HA GLU 41 HA GLU 41 -0.375 -15.240 33.908 341 HB2 GLU 41 HB2 GLU 41 -0.742 -17.878 34.493 342 HB3 GLU 41 HB3 GLU 41 0.974 -17.693 34.824 343 HG2 GLU 41 HG2 GLU 41 0.335 -17.015 36.842 344 HG3 GLU 41 HG3 GLU 41 -0.087 -15.496 36.052 345 H GLY 42 H GLY 42 2.051 -16.112 35.281 346 HA2 GLY 42 HA2 GLY 42 4.389 -16.212 34.930 347 HA3 GLY 42 HA3 GLY 42 4.132 -15.753 33.253 348 H GLN 43 H GLN 43 2.405 -13.921 35.569 349 HA GLN 43 HA GLN 43 4.482 -11.897 35.809 350 HB2 GLN 43 HB2 GLN 43 2.556 -10.214 35.087 351 HB3 GLN 43 HB3 GLN 43 3.660 -10.921 33.915 352 HG2 GLN 43 HG2 GLN 43 2.036 -12.053 32.893 353 HG3 GLN 43 HG3 GLN 43 1.300 -12.555 34.414 354 HE21 GLN 43 HE21 GLN 43 1.908 -9.238 33.481 355 HE22 GLN 43 HE22 GLN 43 0.251 -8.773 33.335 356 HA PRO 44 HA PRO 44 2.630 -10.976 39.676 357 HB2 PRO 44 HB2 PRO 44 2.736 -8.266 39.812 358 HB3 PRO 44 HB3 PRO 44 4.170 -9.292 39.939 359 HG2 PRO 44 HG2 PRO 44 3.122 -7.784 37.574 360 HG3 PRO 44 HG3 PRO 44 4.792 -7.944 38.149 361 HD2 PRO 44 HD2 PRO 44 3.816 -9.398 36.084 362 HD3 PRO 44 HD3 PRO 44 5.056 -10.023 37.190 363 HA PRO 45 HA PRO 45 -1.624 -9.868 39.528 364 HB2 PRO 45 HB2 PRO 45 -2.002 -8.323 41.728 365 HB3 PRO 45 HB3 PRO 45 -1.710 -10.065 41.815 366 HG2 PRO 45 HG2 PRO 45 0.208 -7.800 42.213 367 HG3 PRO 45 HG3 PRO 45 0.031 -9.294 43.151 368 HD2 PRO 45 HD2 PRO 45 1.966 -8.966 41.286 369 HD3 PRO 45 HD3 PRO 45 1.225 -10.543 41.625 370 H LEU 46 H LEU 46 -2.865 -8.449 38.450 371 HA LEU 46 HA LEU 46 -1.968 -6.252 37.134 372 HB2 LEU 46 HB2 LEU 46 -4.201 -5.659 36.702 373 HB3 LEU 46 HB3 LEU 46 -4.192 -7.412 36.890 374 HG LEU 46 HG LEU 46 -5.150 -5.394 38.919 375 HD11 LEU 46 HD11 LEU 46 -7.258 -5.808 38.245 376 HD12 LEU 46 HD12 LEU 46 -6.919 -7.493 37.852 377 HD13 LEU 46 HD13 LEU 46 -6.468 -6.217 36.722 378 HD21 LEU 46 HD21 LEU 46 -4.234 -7.157 40.173 379 HD22 LEU 46 HD22 LEU 46 -4.822 -8.378 39.044 380 HD23 LEU 46 HD23 LEU 46 -5.959 -7.511 40.077 381 H ALA 47 H ALA 47 -1.726 -4.092 37.491 382 HA ALA 47 HA ALA 47 -2.689 -2.835 39.897 383 HB1 ALA 47 HB1 ALA 47 -0.482 -4.103 40.432 384 HB2 ALA 47 HB2 ALA 47 0.281 -2.756 39.587 385 HB3 ALA 47 HB3 ALA 47 -0.708 -2.455 41.017 386 H ARG 48 H ARG 48 -3.009 -0.709 39.575 387 HA ARG 48 HA ARG 48 -2.824 0.432 37.048 388 HB2 ARG 48 HB2 ARG 48 -4.353 1.467 38.464 389 HB3 ARG 48 HB3 ARG 48 -3.210 1.555 39.797 390 HG2 ARG 48 HG2 ARG 48 -2.171 3.437 38.961 391 HG3 ARG 48 HG3 ARG 48 -2.713 3.128 37.310 392 HD2 ARG 48 HD2 ARG 48 -4.121 4.838 37.877 393 HD3 ARG 48 HD3 ARG 48 -5.092 3.458 38.389 394 HE ARG 48 HE ARG 48 -3.679 4.093 40.612 395 HH11 ARG 48 HH11 ARG 48 -5.707 5.916 38.446 396 HH12 ARG 48 HH12 ARG 48 -6.234 7.027 39.667 397 HH21 ARG 48 HH21 ARG 48 -4.367 5.549 42.227 398 HH22 ARG 48 HH22 ARG 48 -5.471 6.818 41.817 399 H GLY 49 H GLY 49 -0.491 0.298 39.634 400 HA2 GLY 49 HA2 GLY 49 1.222 2.330 38.508 401 HA3 GLY 49 HA3 GLY 49 1.594 1.286 39.872 402 H GLU 50 H GLU 50 0.548 -0.741 37.537 403 HA GLU 50 HA GLU 50 3.148 -1.762 37.014 404 HB2 GLU 50 HB2 GLU 50 0.435 -2.419 35.872 405 HB3 GLU 50 HB3 GLU 50 1.899 -3.267 35.396 406 HG2 GLU 50 HG2 GLU 50 1.757 -3.214 38.239 407 HG3 GLU 50 HG3 GLU 50 0.214 -3.775 37.598 408 H LEU 51 H LEU 51 0.930 0.297 35.251 409 HA LEU 51 HA LEU 51 2.763 0.355 32.961 410 HB2 LEU 51 HB2 LEU 51 0.414 -0.092 32.471 411 HB3 LEU 51 HB3 LEU 51 -0.043 1.420 33.252 412 HG LEU 51 HG LEU 51 1.867 1.648 31.012 413 HD11 LEU 51 HD11 LEU 51 0.646 0.222 29.746 414 HD12 LEU 51 HD12 LEU 51 -0.367 1.653 29.558 415 HD13 LEU 51 HD13 LEU 51 -0.806 0.411 30.730 416 HD21 LEU 51 HD21 LEU 51 1.247 3.739 31.509 417 HD22 LEU 51 HD22 LEU 51 -0.199 3.208 32.368 418 HD23 LEU 51 HD23 LEU 51 -0.224 3.365 30.611 419 H GLU 52 H GLU 52 0.966 2.558 35.104 420 HA GLU 52 HA GLU 52 2.345 4.882 34.172 421 HB2 GLU 52 HB2 GLU 52 0.061 4.957 35.130 422 HB3 GLU 52 HB3 GLU 52 0.722 4.505 36.694 423 HG2 GLU 52 HG2 GLU 52 0.413 6.828 36.774 424 HG3 GLU 52 HG3 GLU 52 2.145 6.583 36.555 425 H GLY 53 H GLY 53 2.427 3.094 37.261 426 HA2 GLY 53 HA2 GLY 53 4.544 4.540 38.401 427 HA3 GLY 53 HA3 GLY 53 4.065 2.912 38.857 428 H LEU 54 H LEU 54 4.685 1.290 36.933 429 HA LEU 54 HA LEU 54 7.551 1.326 36.877 430 HB2 LEU 54 HB2 LEU 54 5.735 -0.559 35.395 431 HB3 LEU 54 HB3 LEU 54 7.405 -0.831 35.886 432 HG LEU 54 HG LEU 54 4.952 -0.774 37.631 433 HD11 LEU 54 HD11 LEU 54 6.531 -2.829 36.372 434 HD12 LEU 54 HD12 LEU 54 5.006 -2.959 37.248 435 HD13 LEU 54 HD13 LEU 54 6.534 -3.013 38.126 436 HD21 LEU 54 HD21 LEU 54 7.826 -0.432 38.314 437 HD22 LEU 54 HD22 LEU 54 6.821 -1.416 39.379 438 HD23 LEU 54 HD23 LEU 54 6.393 0.267 39.067 439 H ILE 55 H ILE 55 8.211 0.225 34.454 440 HA ILE 55 HA ILE 55 7.510 2.350 32.534 441 HB ILE 55 HB ILE 55 9.819 2.022 31.582 442 HG12 ILE 55 HG12 ILE 55 10.161 0.496 34.168 443 HG13 ILE 55 HG13 ILE 55 10.403 -0.110 32.533 444 HG21 ILE 55 HG21 ILE 55 9.088 3.892 33.117 445 HG22 ILE 55 HG22 ILE 55 9.861 2.999 34.426 446 HG23 ILE 55 HG23 ILE 55 10.821 3.571 33.061 447 HD11 ILE 55 HD11 ILE 55 12.183 1.475 34.250 448 HD12 ILE 55 HD12 ILE 55 12.559 0.277 33.011 449 HD13 ILE 55 HD13 ILE 55 12.154 1.929 32.546 450 HA PRO 56 HA PRO 56 6.469 -0.723 29.580 451 HB2 PRO 56 HB2 PRO 56 7.384 0.370 27.269 452 HB3 PRO 56 HB3 PRO 56 5.967 0.985 28.128 453 HG2 PRO 56 HG2 PRO 56 8.782 2.003 28.145 454 HG3 PRO 56 HG3 PRO 56 7.264 2.914 28.051 455 HD2 PRO 56 HD2 PRO 56 8.664 2.651 30.354 456 HD3 PRO 56 HD3 PRO 56 6.893 2.776 30.321 457 H VAL 57 H VAL 57 9.800 0.476 29.322 458 HA VAL 57 HA VAL 57 10.810 -1.678 27.804 459 HB VAL 57 HB VAL 57 12.337 0.064 29.743 460 HG11 VAL 57 HG11 VAL 57 14.026 -0.500 27.699 461 HG12 VAL 57 HG12 VAL 57 13.956 -1.404 29.212 462 HG13 VAL 57 HG13 VAL 57 13.096 -1.995 27.790 463 HG21 VAL 57 HG21 VAL 57 11.904 1.770 28.387 464 HG22 VAL 57 HG22 VAL 57 12.756 0.915 27.101 465 HG23 VAL 57 HG23 VAL 57 11.012 0.723 27.283 466 H ASP 58 H ASP 58 9.956 -1.401 31.111 467 HA ASP 58 HA ASP 58 11.596 -3.673 31.918 468 HB2 ASP 58 HB2 ASP 58 11.310 -1.672 33.405 469 HB3 ASP 58 HB3 ASP 58 9.612 -2.107 33.576 470 H LEU 59 H LEU 59 8.141 -2.797 32.132 471 HA LEU 59 HA LEU 59 7.207 -5.349 32.771 472 HB2 LEU 59 HB2 LEU 59 5.306 -4.230 32.942 473 HB3 LEU 59 HB3 LEU 59 6.105 -2.818 32.253 474 HG LEU 59 HG LEU 59 4.866 -4.914 30.498 475 HD11 LEU 59 HD11 LEU 59 2.846 -3.490 30.428 476 HD12 LEU 59 HD12 LEU 59 3.497 -2.549 31.770 477 HD13 LEU 59 HD13 LEU 59 3.102 -4.253 31.998 478 HD21 LEU 59 HD21 LEU 59 6.396 -2.664 29.998 479 HD22 LEU 59 HD22 LEU 59 4.742 -2.128 29.699 480 HD23 LEU 59 HD23 LEU 59 5.387 -3.526 28.836 481 H ALA 60 H ALA 60 7.885 -3.857 29.665 482 HA ALA 60 HA ALA 60 6.654 -5.812 28.039 483 HB1 ALA 60 HB1 ALA 60 7.269 -3.585 27.220 484 HB2 ALA 60 HB2 ALA 60 8.975 -4.005 27.374 485 HB3 ALA 60 HB3 ALA 60 7.956 -4.864 26.218 486 H GLU 61 H GLU 61 9.953 -5.469 29.284 487 HA GLU 61 HA GLU 61 11.157 -7.562 27.903 488 HB2 GLU 61 HB2 GLU 61 11.702 -6.102 30.423 489 HB3 GLU 61 HB3 GLU 61 12.493 -7.661 30.241 490 HG2 GLU 61 HG2 GLU 61 12.641 -5.718 27.996 491 HG3 GLU 61 HG3 GLU 61 13.635 -5.445 29.427 492 H LEU 62 H LEU 62 9.115 -7.595 30.748 493 HA LEU 62 HA LEU 62 9.628 -10.330 31.417 494 HB2 LEU 62 HB2 LEU 62 8.882 -8.680 33.073 495 HB3 LEU 62 HB3 LEU 62 7.348 -8.528 32.220 496 HG LEU 62 HG LEU 62 7.437 -9.958 34.354 497 HD11 LEU 62 HD11 LEU 62 5.644 -11.233 33.606 498 HD12 LEU 62 HD12 LEU 62 6.313 -11.404 31.984 499 HD13 LEU 62 HD13 LEU 62 5.649 -9.855 32.504 500 HD21 LEU 62 HD21 LEU 62 8.229 -12.161 34.205 501 HD22 LEU 62 HD22 LEU 62 9.516 -11.172 33.514 502 HD23 LEU 62 HD23 LEU 62 8.424 -12.066 32.455 503 H LEU 63 H LEU 63 7.061 -8.608 29.691 504 HA LEU 63 HA LEU 63 5.401 -10.852 29.264 505 HB2 LEU 63 HB2 LEU 63 4.840 -8.375 29.022 506 HB3 LEU 63 HB3 LEU 63 5.590 -8.480 27.431 507 HG LEU 63 HG LEU 63 3.077 -8.633 27.479 508 HD11 LEU 63 HD11 LEU 63 3.009 -10.109 25.681 509 HD12 LEU 63 HD12 LEU 63 4.291 -11.124 26.340 510 HD13 LEU 63 HD13 LEU 63 4.676 -9.534 25.682 511 HD21 LEU 63 HD21 LEU 63 2.032 -10.659 28.180 512 HD22 LEU 63 HD22 LEU 63 3.003 -10.066 29.528 513 HD23 LEU 63 HD23 LEU 63 3.589 -11.406 28.540 514 H ILE 64 H ILE 64 7.764 -9.248 27.136 515 HA ILE 64 HA ILE 64 7.518 -10.959 24.949 516 HB ILE 64 HB ILE 64 9.816 -10.241 24.335 517 HG12 ILE 64 HG12 ILE 64 10.364 -8.209 26.143 518 HG13 ILE 64 HG13 ILE 64 9.860 -9.548 27.169 519 HG21 ILE 64 HG21 ILE 64 9.035 -7.634 24.824 520 HG22 ILE 64 HG22 ILE 64 8.589 -8.617 23.430 521 HG23 ILE 64 HG23 ILE 64 7.522 -8.539 24.832 522 HD11 ILE 64 HD11 ILE 64 12.279 -9.492 26.826 523 HD12 ILE 64 HD12 ILE 64 11.555 -10.968 26.186 524 HD13 ILE 64 HD13 ILE 64 12.030 -9.672 25.089 525 H SER 65 H SER 65 9.414 -11.268 27.894 526 HA SER 65 HA SER 65 10.830 -13.602 26.988 527 HB2 SER 65 HB2 SER 65 10.732 -11.977 29.474 528 HB3 SER 65 HB3 SER 65 11.225 -13.661 29.647 529 HG SER 65 HG SER 65 12.709 -13.122 27.815 530 H LYS 66 H LYS 66 7.877 -12.933 28.692 531 HA LYS 66 HA LYS 66 7.408 -15.294 30.043 532 HB2 LYS 66 HB2 LYS 66 5.837 -13.595 30.387 533 HB3 LYS 66 HB3 LYS 66 5.584 -13.350 28.663 534 HG2 LYS 66 HG2 LYS 66 3.660 -14.410 29.729 535 HG3 LYS 66 HG3 LYS 66 4.393 -15.456 28.510 536 HD2 LYS 66 HD2 LYS 66 5.714 -16.096 30.874 537 HD3 LYS 66 HD3 LYS 66 4.025 -15.899 31.347 538 HE2 LYS 66 HE2 LYS 66 5.020 -17.644 29.096 539 HE3 LYS 66 HE3 LYS 66 4.559 -18.214 30.700 540 HZ1 LYS 66 HZ1 LYS 66 2.346 -17.804 30.307 541 HZ2 LYS 66 HZ2 LYS 66 2.858 -18.303 28.775 542 HZ3 LYS 66 HZ3 LYS 66 2.643 -16.657 29.099 543 H TYR 67 H TYR 67 6.103 -14.564 26.802 544 HA TYR 67 HA TYR 67 6.213 -17.452 26.224 545 HB2 TYR 67 HB2 TYR 67 3.994 -15.848 26.210 546 HB3 TYR 67 HB3 TYR 67 4.475 -15.805 24.518 547 HD1 TYR 67 HD2 TYR 67 5.383 -18.406 23.861 548 HD2 TYR 67 HD1 TYR 67 2.254 -17.320 26.532 549 HE1 TYR 67 HE2 TYR 67 4.323 -20.596 23.501 550 HE2 TYR 67 HE1 TYR 67 1.186 -19.508 26.179 551 HH TYR 67 HH TYR 67 2.555 -21.877 23.919 552 H GLY 68 H GLY 68 6.714 -14.212 24.903 553 HA2 GLY 68 HA2 GLY 68 9.001 -14.721 23.491 554 HA3 GLY 68 HA3 GLY 68 7.709 -15.161 22.383 555 H GLU 69 H GLU 69 9.728 -12.982 22.289 556 HA GLU 69 HA GLU 69 8.454 -10.503 22.773 557 HB2 GLU 69 HB2 GLU 69 10.225 -9.572 21.285 558 HB3 GLU 69 HB3 GLU 69 10.848 -10.584 22.580 559 HG2 GLU 69 HG2 GLU 69 10.399 -12.270 20.369 560 HG3 GLU 69 HG3 GLU 69 11.221 -10.831 19.768 561 H LYS 70 H LYS 70 8.267 -12.791 20.190 562 HA LYS 70 HA LYS 70 7.353 -11.084 18.136 563 HB2 LYS 70 HB2 LYS 70 7.503 -13.979 18.617 564 HB3 LYS 70 HB3 LYS 70 6.173 -13.492 17.574 565 HG2 LYS 70 HG2 LYS 70 8.191 -14.074 16.313 566 HG3 LYS 70 HG3 LYS 70 7.707 -12.395 16.065 567 HD2 LYS 70 HD2 LYS 70 9.516 -12.628 18.301 568 HD3 LYS 70 HD3 LYS 70 10.220 -13.335 16.845 569 HE2 LYS 70 HE2 LYS 70 8.890 -10.663 16.706 570 HE3 LYS 70 HE3 LYS 70 10.524 -10.792 17.355 571 HZ1 LYS 70 HZ1 LYS 70 11.063 -10.545 15.197 572 HZ2 LYS 70 HZ2 LYS 70 9.580 -11.126 14.627 573 HZ3 LYS 70 HZ3 LYS 70 10.777 -12.211 15.128 574 H GLU 71 H GLU 71 5.291 -13.604 19.523 575 HA GLU 71 HA GLU 71 2.876 -12.418 18.943 576 HB2 GLU 71 HB2 GLU 71 1.911 -13.855 20.720 577 HB3 GLU 71 HB3 GLU 71 3.003 -14.724 19.652 578 HG2 GLU 71 HG2 GLU 71 4.683 -14.842 21.275 579 HG3 GLU 71 HG3 GLU 71 3.929 -13.596 22.269 580 H ALA 72 H ALA 72 5.062 -11.735 21.558 581 HA ALA 72 HA ALA 72 3.468 -10.514 23.431 582 HB1 ALA 72 HB1 ALA 72 5.585 -10.500 24.196 583 HB2 ALA 72 HB2 ALA 72 6.277 -10.241 22.594 584 HB3 ALA 72 HB3 ALA 72 5.615 -8.880 23.500 585 H VAL 73 H VAL 73 5.186 -8.731 20.856 586 HA VAL 73 HA VAL 73 3.899 -6.297 21.208 587 HB VAL 73 HB VAL 73 5.142 -7.524 18.755 588 HG11 VAL 73 HG11 VAL 73 3.634 -6.036 17.782 589 HG12 VAL 73 HG12 VAL 73 3.809 -4.859 19.085 590 HG13 VAL 73 HG13 VAL 73 5.117 -5.092 17.924 591 HG21 VAL 73 HG21 VAL 73 7.064 -6.633 19.472 592 HG22 VAL 73 HG22 VAL 73 6.296 -5.107 19.910 593 HG23 VAL 73 HG23 VAL 73 6.257 -6.467 21.032 594 H LYS 74 H LYS 74 2.956 -9.089 19.272 595 HA LYS 74 HA LYS 74 0.807 -7.881 17.906 596 HB2 LYS 74 HB2 LYS 74 1.112 -10.786 18.688 597 HB3 LYS 74 HB3 LYS 74 0.066 -10.153 17.425 598 HG2 LYS 74 HG2 LYS 74 1.880 -9.605 16.043 599 HG3 LYS 74 HG3 LYS 74 3.040 -9.766 17.364 600 HD2 LYS 74 HD2 LYS 74 3.301 -11.942 16.959 601 HD3 LYS 74 HD3 LYS 74 1.557 -12.214 16.978 602 HE2 LYS 74 HE2 LYS 74 1.470 -11.375 14.635 603 HE3 LYS 74 HE3 LYS 74 3.231 -11.295 14.644 604 HZ1 LYS 74 HZ1 LYS 74 1.994 -13.828 15.408 605 HZ2 LYS 74 HZ2 LYS 74 3.428 -13.539 14.560 606 HZ3 LYS 74 HZ3 LYS 74 1.937 -13.402 13.772 607 H VAL 75 H VAL 75 1.006 -9.563 21.005 608 HA VAL 75 HA VAL 75 -1.732 -9.732 21.563 609 HB VAL 75 HB VAL 75 0.602 -9.452 23.459 610 HG11 VAL 75 HG11 VAL 75 -2.279 -9.529 23.943 611 HG12 VAL 75 HG12 VAL 75 -1.370 -10.745 24.842 612 HG13 VAL 75 HG13 VAL 75 -0.962 -9.037 25.007 613 HG21 VAL 75 HG21 VAL 75 -0.395 -11.607 21.853 614 HG22 VAL 75 HG22 VAL 75 1.021 -11.563 22.903 615 HG23 VAL 75 HG23 VAL 75 -0.552 -12.012 23.562 616 H VAL 76 H VAL 76 0.430 -7.040 21.615 617 HA VAL 76 HA VAL 76 -1.181 -5.393 23.338 618 HB VAL 76 HB VAL 76 1.336 -5.066 21.828 619 HG11 VAL 76 HG11 VAL 76 1.184 -2.551 22.163 620 HG12 VAL 76 HG12 VAL 76 0.259 -3.229 20.821 621 HG13 VAL 76 HG13 VAL 76 -0.557 -2.783 22.321 622 HG21 VAL 76 HG21 VAL 76 1.872 -5.280 24.005 623 HG22 VAL 76 HG22 VAL 76 1.520 -3.553 24.067 624 HG23 VAL 76 HG23 VAL 76 0.292 -4.720 24.556 625 H LEU 77 H LEU 77 -0.474 -5.431 19.847 626 HA LEU 77 HA LEU 77 -2.325 -3.365 19.225 627 HB2 LEU 77 HB2 LEU 77 -2.022 -4.224 16.867 628 HB3 LEU 77 HB3 LEU 77 -0.570 -3.675 17.701 629 HG LEU 77 HG LEU 77 -0.633 -6.389 18.225 630 HD11 LEU 77 HD11 LEU 77 -1.103 -7.549 16.248 631 HD12 LEU 77 HD12 LEU 77 -1.189 -6.068 15.294 632 HD13 LEU 77 HD13 LEU 77 -2.465 -6.447 16.450 633 HD21 LEU 77 HD21 LEU 77 1.415 -5.394 17.790 634 HD22 LEU 77 HD22 LEU 77 0.851 -4.647 16.295 635 HD23 LEU 77 HD23 LEU 77 1.154 -6.384 16.354 636 H LYS 78 H LYS 78 -2.429 -6.895 18.763 637 HA LYS 78 HA LYS 78 -4.902 -7.177 17.622 638 HB2 LYS 78 HB2 LYS 78 -3.061 -8.913 18.544 639 HB3 LYS 78 HB3 LYS 78 -4.282 -9.095 19.796 640 HG2 LYS 78 HG2 LYS 78 -5.509 -9.149 17.201 641 HG3 LYS 78 HG3 LYS 78 -4.203 -10.333 17.293 642 HD2 LYS 78 HD2 LYS 78 -6.049 -11.519 18.065 643 HD3 LYS 78 HD3 LYS 78 -5.263 -10.989 19.554 644 HE2 LYS 78 HE2 LYS 78 -6.841 -9.243 19.866 645 HE3 LYS 78 HE3 LYS 78 -7.494 -9.453 18.242 646 HZ1 LYS 78 HZ1 LYS 78 -8.740 -10.436 20.269 647 HZ2 LYS 78 HZ2 LYS 78 -7.608 -11.687 20.151 648 HZ3 LYS 78 HZ3 LYS 78 -8.626 -11.342 18.845 649 H GLY 79 H GLY 79 -4.149 -6.674 21.037 650 HA2 GLY 79 HA2 GLY 79 -6.965 -6.806 21.766 651 HA3 GLY 79 HA3 GLY 79 -5.613 -6.564 22.863 652 H LEU 80 H LEU 80 -4.568 -4.401 21.053 653 HA LEU 80 HA LEU 80 -5.900 -2.230 22.350 654 HB2 LEU 80 HB2 LEU 80 -3.449 -2.363 21.733 655 HB3 LEU 80 HB3 LEU 80 -3.944 -2.038 20.073 656 HG LEU 80 HG LEU 80 -4.709 0.146 20.650 657 HD11 LEU 80 HD11 LEU 80 -4.575 0.997 22.963 658 HD12 LEU 80 HD12 LEU 80 -4.166 -0.628 23.512 659 HD13 LEU 80 HD13 LEU 80 -5.740 -0.315 22.781 660 HD21 LEU 80 HD21 LEU 80 -2.174 -0.421 20.495 661 HD22 LEU 80 HD22 LEU 80 -2.173 -0.047 22.219 662 HD23 LEU 80 HD23 LEU 80 -2.682 1.174 21.051 663 H LYS 81 H LYS 81 -6.044 -3.706 19.190 664 HA LYS 81 HA LYS 81 -7.238 -1.714 17.687 665 HB2 LYS 81 HB2 LYS 81 -6.935 -4.581 17.524 666 HB3 LYS 81 HB3 LYS 81 -8.523 -4.100 16.942 667 HG2 LYS 81 HG2 LYS 81 -7.692 -3.226 15.070 668 HG3 LYS 81 HG3 LYS 81 -6.381 -2.411 15.926 669 HD2 LYS 81 HD2 LYS 81 -4.928 -3.971 15.287 670 HD3 LYS 81 HD3 LYS 81 -5.952 -5.252 15.940 671 HE2 LYS 81 HE2 LYS 81 -6.423 -3.958 13.262 672 HE3 LYS 81 HE3 LYS 81 -5.438 -5.405 13.476 673 HZ1 LYS 81 HZ1 LYS 81 -7.913 -5.657 12.884 674 HZ2 LYS 81 HZ2 LYS 81 -8.194 -5.315 14.517 675 HZ3 LYS 81 HZ3 LYS 81 -7.262 -6.658 14.083 676 H VAL 82 H VAL 82 -8.925 -4.280 19.508 677 HA VAL 82 HA VAL 82 -11.519 -3.360 19.111 678 HB VAL 82 HB VAL 82 -10.491 -5.508 20.368 679 HG11 VAL 82 HG11 VAL 82 -9.890 -4.088 22.337 680 HG12 VAL 82 HG12 VAL 82 -11.615 -3.844 22.614 681 HG13 VAL 82 HG13 VAL 82 -10.925 -5.465 22.715 682 HG21 VAL 82 HG21 VAL 82 -13.184 -4.273 20.281 683 HG22 VAL 82 HG22 VAL 82 -12.624 -5.817 19.639 684 HG23 VAL 82 HG23 VAL 82 -12.958 -5.647 21.362 685 H MET 83 H MET 83 -9.050 -1.798 20.703 686 HA MET 83 HA MET 83 -10.807 -0.424 22.596 687 HB2 MET 83 HB2 MET 83 -8.517 -1.268 23.268 688 HB3 MET 83 HB3 MET 83 -7.838 -0.027 22.224 689 HG2 MET 83 HG2 MET 83 -7.844 0.725 24.511 690 HG3 MET 83 HG3 MET 83 -8.961 1.694 23.553 691 HE1 MET 83 HE1 MET 83 -8.312 1.013 26.541 692 HE2 MET 83 HE2 MET 83 -9.859 1.058 27.386 693 HE3 MET 83 HE3 MET 83 -9.053 -0.486 27.105 694 H ASN 84 H ASN 84 -9.478 -0.054 19.487 695 HA ASN 84 HA ASN 84 -9.794 1.591 17.929 696 HB2 ASN 84 HB2 ASN 84 -11.830 2.098 19.649 697 HB3 ASN 84 HB3 ASN 84 -10.911 3.593 19.795 698 HD21 ASN 84 HD21 ASN 84 -12.009 5.037 18.659 699 HD22 ASN 84 HD22 ASN 84 -12.517 4.849 17.019 700 H LEU 85 H LEU 85 -7.490 1.343 19.739 701 HA LEU 85 HA LEU 85 -6.569 4.089 20.055 702 HB2 LEU 85 HB2 LEU 85 -5.920 1.518 21.210 703 HB3 LEU 85 HB3 LEU 85 -4.472 2.370 20.677 704 HG LEU 85 HG LEU 85 -4.647 3.038 22.875 705 HD11 LEU 85 HD11 LEU 85 -4.983 5.311 22.809 706 HD12 LEU 85 HD12 LEU 85 -6.409 5.181 21.780 707 HD13 LEU 85 HD13 LEU 85 -4.803 4.941 21.094 708 HD21 LEU 85 HD21 LEU 85 -6.476 2.531 24.023 709 HD22 LEU 85 HD22 LEU 85 -7.402 2.343 22.534 710 HD23 LEU 85 HD23 LEU 85 -7.283 3.926 23.304 711 H LEU 86 H LEU 86 -7.011 2.952 17.391 712 HA LEU 86 HA LEU 86 -4.629 2.201 16.132 713 HB2 LEU 86 HB2 LEU 86 -7.116 3.557 15.142 714 HB3 LEU 86 HB3 LEU 86 -5.769 3.193 14.065 715 HG LEU 86 HG LEU 86 -6.272 0.776 15.308 716 HD11 LEU 86 HD11 LEU 86 -8.842 0.727 14.577 717 HD12 LEU 86 HD12 LEU 86 -8.743 2.390 15.154 718 HD13 LEU 86 HD13 LEU 86 -8.318 1.058 16.229 719 HD21 LEU 86 HD21 LEU 86 -6.789 1.999 12.658 720 HD22 LEU 86 HD22 LEU 86 -7.567 0.455 13.005 721 HD23 LEU 86 HD23 LEU 86 -5.811 0.597 13.091 722 H GLU 87 H GLU 87 -5.415 5.118 17.579 723 HA GLU 87 HA GLU 87 -4.354 7.079 15.951 724 HB2 GLU 87 HB2 GLU 87 -5.482 7.558 18.070 725 HB3 GLU 87 HB3 GLU 87 -4.137 6.857 18.958 726 HG2 GLU 87 HG2 GLU 87 -3.888 9.201 19.069 727 HG3 GLU 87 HG3 GLU 87 -2.670 8.612 17.940 728 H LEU 88 H LEU 88 -2.528 5.734 18.698 729 HA LEU 88 HA LEU 88 -0.029 6.475 17.500 730 HB2 LEU 88 HB2 LEU 88 -0.255 4.616 19.827 731 HB3 LEU 88 HB3 LEU 88 0.968 5.839 19.491 732 HG LEU 88 HG LEU 88 -0.190 6.734 21.285 733 HD11 LEU 88 HD11 LEU 88 -1.998 8.291 19.925 734 HD12 LEU 88 HD12 LEU 88 -0.842 7.838 18.673 735 HD13 LEU 88 HD13 LEU 88 -0.283 8.643 20.138 736 HD21 LEU 88 HD21 LEU 88 -2.261 5.023 20.433 737 HD22 LEU 88 HD22 LEU 88 -2.937 6.650 20.505 738 HD23 LEU 88 HD23 LEU 88 -2.163 5.953 21.929 739 H VAL 89 H VAL 89 -1.941 3.568 17.754 740 HA VAL 89 HA VAL 89 -0.032 1.624 17.193 741 HB VAL 89 HB VAL 89 -2.959 1.769 16.498 742 HG11 VAL 89 HG11 VAL 89 -2.737 -0.715 16.082 743 HG12 VAL 89 HG12 VAL 89 -2.076 0.340 14.831 744 HG13 VAL 89 HG13 VAL 89 -0.997 -0.452 15.979 745 HG21 VAL 89 HG21 VAL 89 -2.136 1.570 18.896 746 HG22 VAL 89 HG22 VAL 89 -3.287 0.350 18.350 747 HG23 VAL 89 HG23 VAL 89 -1.571 -0.042 18.456 748 H ASP 90 H ASP 90 -1.450 4.019 15.135 749 HA ASP 90 HA ASP 90 -1.308 3.050 12.615 750 HB2 ASP 90 HB2 ASP 90 -1.430 5.577 13.728 751 HB3 ASP 90 HB3 ASP 90 0.053 5.632 12.778 752 H GLN 91 H GLN 91 1.482 4.446 14.344 753 HA GLN 91 HA GLN 91 3.319 3.544 12.320 754 HB2 GLN 91 HB2 GLN 91 3.396 5.291 14.641 755 HB3 GLN 91 HB3 GLN 91 4.810 4.248 14.565 756 HG2 GLN 91 HG2 GLN 91 5.306 5.031 12.330 757 HG3 GLN 91 HG3 GLN 91 3.846 6.019 12.330 758 HE21 GLN 91 HE21 GLN 91 4.662 8.019 12.227 759 HE22 GLN 91 HE22 GLN 91 5.749 8.704 13.381 760 H LEU 92 H LEU 92 3.020 2.844 15.808 761 HA LEU 92 HA LEU 92 4.789 0.901 16.228 762 HB2 LEU 92 HB2 LEU 92 3.290 1.498 17.966 763 HB3 LEU 92 HB3 LEU 92 1.897 0.925 17.051 764 HG LEU 92 HG LEU 92 2.742 -0.477 19.039 765 HD11 LEU 92 HD11 LEU 92 1.476 -2.079 18.160 766 HD12 LEU 92 HD12 LEU 92 2.609 -2.355 16.838 767 HD13 LEU 92 HD13 LEU 92 1.390 -1.088 16.703 768 HD21 LEU 92 HD21 LEU 92 4.550 -1.816 17.120 769 HD22 LEU 92 HD22 LEU 92 4.653 -1.682 18.876 770 HD23 LEU 92 HD23 LEU 92 5.136 -0.325 17.857 771 H SER 93 H SER 93 1.619 0.277 14.730 772 HA SER 93 HA SER 93 2.038 -2.456 14.236 773 HB2 SER 93 HB2 SER 93 0.149 -0.382 13.242 774 HB3 SER 93 HB3 SER 93 0.296 -1.861 12.293 775 HG SER 93 HG SER 93 -0.032 -2.041 15.073 776 H HIS 94 H HIS 94 2.463 0.366 12.113 777 HA HIS 94 HA HIS 94 3.449 -1.135 9.913 778 HB2 HIS 94 HB2 HIS 94 2.726 1.542 10.405 779 HB3 HIS 94 HB3 HIS 94 4.413 1.582 9.900 780 HD1 HIS 94 HD1 HIS 94 4.922 0.462 7.521 781 HD2 HIS 94 HD2 HIS 94 0.921 1.175 8.383 782 HE1 HIS 94 HE1 HIS 94 3.724 0.329 5.313 783 H ILE 95 H ILE 95 4.793 -0.668 12.857 784 HA ILE 95 HA ILE 95 7.542 -0.662 11.798 785 HB ILE 95 HB ILE 95 6.613 0.072 14.577 786 HG12 ILE 95 HG12 ILE 95 7.903 1.938 12.608 787 HG13 ILE 95 HG13 ILE 95 6.166 1.653 12.556 788 HG21 ILE 95 HG21 ILE 95 8.801 -0.923 14.655 789 HG22 ILE 95 HG22 ILE 95 9.353 0.089 13.322 790 HG23 ILE 95 HG23 ILE 95 8.959 0.819 14.878 791 HD11 ILE 95 HD11 ILE 95 7.738 2.750 14.874 792 HD12 ILE 95 HD12 ILE 95 6.630 3.637 13.826 793 HD13 ILE 95 HD13 ILE 95 6.013 2.384 14.903 794 H CYS 96 H CYS 96 5.168 -2.459 13.498 795 HA CYS 96 HA CYS 96 7.182 -4.454 14.294 796 HB2 CYS 96 HB2 CYS 96 5.763 -5.164 16.030 797 HB3 CYS 96 HB3 CYS 96 5.632 -3.409 16.053 798 HG CYS 96 HG CYS 96 3.097 -4.290 16.556 799 H LEU 97 H LEU 97 5.761 -3.977 11.649 800 HA LEU 97 HA LEU 97 4.994 -5.252 9.930 801 HB2 LEU 97 HB2 LEU 97 5.490 -7.619 11.724 802 HB3 LEU 97 HB3 LEU 97 5.369 -7.619 9.966 803 HG LEU 97 HG LEU 97 7.462 -5.927 10.348 804 HD11 LEU 97 HD11 LEU 97 8.635 -7.823 12.052 805 HD12 LEU 97 HD12 LEU 97 7.120 -7.343 12.816 806 HD13 LEU 97 HD13 LEU 97 8.315 -6.120 12.385 807 HD21 LEU 97 HD21 LEU 97 7.864 -8.898 10.240 808 HD22 LEU 97 HD22 LEU 97 8.781 -7.624 9.435 809 HD23 LEU 97 HD23 LEU 97 7.149 -8.015 8.891 810 H HIS 98 H HIS 98 2.885 -4.471 10.067 811 HA HIS 98 HA HIS 98 0.936 -5.552 11.834 812 HB2 HIS 98 HB2 HIS 98 -0.635 -4.182 10.708 813 HB3 HIS 98 HB3 HIS 98 0.876 -3.277 10.689 814 HD1 HIS 98 HD1 HIS 98 2.306 -4.219 8.283 815 HD2 HIS 98 HD2 HIS 98 -1.823 -3.767 8.327 816 HE1 HIS 98 HE1 HIS 98 1.632 -3.966 5.874 817 H ASP 99 H ASP 99 2.095 -6.415 8.674 818 HA ASP 99 HA ASP 99 -0.056 -7.948 7.753 819 HB2 ASP 99 HB2 ASP 99 1.702 -7.406 6.230 820 HB3 ASP 99 HB3 ASP 99 2.912 -8.173 7.255 821 H TYR 100 H TYR 100 2.145 -8.520 10.304 822 HA TYR 100 HA TYR 100 2.050 -11.367 10.310 823 HB2 TYR 100 HB2 TYR 100 3.380 -9.339 11.778 824 HB3 TYR 100 HB3 TYR 100 2.505 -10.328 12.942 825 HD1 TYR 100 HD1 TYR 100 2.664 -13.000 11.782 826 HD2 TYR 100 HD2 TYR 100 5.615 -9.939 11.956 827 HE1 TYR 100 HE1 TYR 100 4.432 -14.706 11.667 828 HE2 TYR 100 HE2 TYR 100 7.391 -11.636 11.840 829 HH TYR 100 HH TYR 100 6.658 -15.029 11.293 830 H ARG 101 H ARG 101 -0.015 -8.857 11.518 831 HA ARG 101 HA ARG 101 -1.824 -10.915 12.585 832 HB2 ARG 101 HB2 ARG 101 -0.876 -8.399 13.902 833 HB3 ARG 101 HB3 ARG 101 -2.497 -8.991 14.241 834 HG2 ARG 101 HG2 ARG 101 -0.554 -11.113 14.444 835 HG3 ARG 101 HG3 ARG 101 -0.137 -9.753 15.488 836 HD2 ARG 101 HD2 ARG 101 -1.989 -10.008 16.790 837 HD3 ARG 101 HD3 ARG 101 -2.965 -10.642 15.466 838 HE ARG 101 HE ARG 101 -1.451 -12.151 17.350 839 HH11 ARG 101 HH11 ARG 101 -2.567 -12.108 14.052 840 HH12 ARG 101 HH12 ARG 101 -2.537 -13.831 13.882 841 HH21 ARG 101 HH21 ARG 101 -1.406 -14.422 17.138 842 HH22 ARG 101 HH22 ARG 101 -1.877 -15.147 15.638 843 H GLU 102 H GLU 102 -3.648 -10.898 11.464 844 HA GLU 102 HA GLU 102 -4.391 -9.041 9.560 845 HB2 GLU 102 HB2 GLU 102 -5.848 -11.153 11.077 846 HB3 GLU 102 HB3 GLU 102 -6.799 -10.004 10.146 847 HG2 GLU 102 HG2 GLU 102 -4.551 -11.101 8.657 848 HG3 GLU 102 HG3 GLU 102 -5.697 -12.326 9.200 Start of MODEL 12 1 H1 GLY 1 H GLY 1 5.850 13.104 21.666 2 HA2 GLY 1 HA2 GLY 1 4.140 13.994 23.427 3 HA3 GLY 1 HA3 GLY 1 4.615 15.540 22.739 4 H ALA 2 H ALA 2 4.174 15.924 20.480 5 HA ALA 2 HA ALA 2 1.576 15.128 19.729 6 HB1 ALA 2 HB1 ALA 2 3.456 17.045 18.891 7 HB2 ALA 2 HB2 ALA 2 3.038 16.091 17.467 8 HB3 ALA 2 HB3 ALA 2 1.770 16.890 18.396 9 H MET 3 H MET 3 1.415 14.468 17.183 10 HA MET 3 HA MET 3 2.716 11.837 17.061 11 HB2 MET 3 HB2 MET 3 0.899 11.224 15.504 12 HB3 MET 3 HB3 MET 3 0.291 11.744 17.070 13 HG2 MET 3 HG2 MET 3 0.513 13.921 15.152 14 HG3 MET 3 HG3 MET 3 -0.568 12.633 14.624 15 HE1 MET 3 HE1 MET 3 -3.432 12.596 16.118 16 HE2 MET 3 HE2 MET 3 -3.456 14.249 15.503 17 HE3 MET 3 HE3 MET 3 -2.567 12.998 14.634 18 H ALA 4 H ALA 4 3.149 11.022 14.806 19 HA ALA 4 HA ALA 4 3.752 13.064 12.833 20 HB1 ALA 4 HB1 ALA 4 6.105 11.421 13.174 21 HB2 ALA 4 HB2 ALA 4 5.956 13.178 13.107 22 HB3 ALA 4 HB3 ALA 4 5.733 12.332 14.638 23 H MET 5 H MET 5 4.825 9.723 13.487 24 HA MET 5 HA MET 5 4.777 7.846 12.198 25 HB2 MET 5 HB2 MET 5 2.132 8.927 11.223 26 HB3 MET 5 HB3 MET 5 2.639 7.244 11.274 27 HG2 MET 5 HG2 MET 5 2.872 7.726 13.842 28 HG3 MET 5 HG3 MET 5 1.736 9.022 13.477 29 HE1 MET 5 HE1 MET 5 -0.481 8.816 12.570 30 HE2 MET 5 HE2 MET 5 -0.332 7.671 11.237 31 HE3 MET 5 HE3 MET 5 -1.487 7.367 12.535 32 H ALA 6 H ALA 6 6.533 9.113 10.994 33 HA ALA 6 HA ALA 6 5.711 9.533 8.195 34 HB1 ALA 6 HB1 ALA 6 7.757 10.919 7.982 35 HB2 ALA 6 HB2 ALA 6 6.591 11.560 9.140 36 HB3 ALA 6 HB3 ALA 6 8.030 10.717 9.712 37 H LYS 7 H LYS 7 5.868 7.228 7.846 38 HA LYS 7 HA LYS 7 6.910 5.343 7.114 39 HB2 LYS 7 HB2 LYS 7 8.971 7.444 6.496 40 HB3 LYS 7 HB3 LYS 7 9.265 5.748 6.134 41 HG2 LYS 7 HG2 LYS 7 8.380 6.325 4.147 42 HG3 LYS 7 HG3 LYS 7 6.859 6.030 4.992 43 HD2 LYS 7 HD2 LYS 7 7.906 8.735 5.361 44 HD3 LYS 7 HD3 LYS 7 7.531 8.342 3.681 45 HE2 LYS 7 HE2 LYS 7 5.362 7.340 5.016 46 HE3 LYS 7 HE3 LYS 7 5.748 8.778 5.959 47 HZ1 LYS 7 HZ1 LYS 7 4.600 8.573 3.346 48 HZ2 LYS 7 HZ2 LYS 7 5.930 9.617 3.376 49 HZ3 LYS 7 HZ3 LYS 7 4.621 9.886 4.413 50 H ALA 8 H ALA 8 7.053 4.161 8.984 51 HA ALA 8 HA ALA 8 9.665 4.236 10.344 52 HB1 ALA 8 HB1 ALA 8 6.984 4.490 11.479 53 HB2 ALA 8 HB2 ALA 8 7.982 3.267 12.268 54 HB3 ALA 8 HB3 ALA 8 8.552 4.932 12.156 55 H ARG 9 H ARG 9 10.725 2.371 10.271 56 HA ARG 9 HA ARG 9 9.225 -0.063 9.580 57 HB2 ARG 9 HB2 ARG 9 11.431 -0.945 8.823 58 HB3 ARG 9 HB3 ARG 9 10.891 0.471 7.930 59 HG2 ARG 9 HG2 ARG 9 12.520 1.190 10.213 60 HG3 ARG 9 HG3 ARG 9 13.362 0.103 9.107 61 HD2 ARG 9 HD2 ARG 9 11.917 2.586 8.207 62 HD3 ARG 9 HD3 ARG 9 13.626 2.567 8.640 63 HE ARG 9 HE ARG 9 14.048 1.180 6.756 64 HH11 ARG 9 HH11 ARG 9 10.771 2.338 6.963 65 HH12 ARG 9 HH12 ARG 9 10.420 2.034 5.294 66 HH21 ARG 9 HH21 ARG 9 13.597 0.775 4.557 67 HH22 ARG 9 HH22 ARG 9 12.028 1.144 3.926 68 H LYS 10 H LYS 10 11.360 1.379 11.913 69 HA LYS 10 HA LYS 10 12.422 -0.745 13.264 70 HB2 LYS 10 HB2 LYS 10 11.167 1.658 14.601 71 HB3 LYS 10 HB3 LYS 10 12.446 0.640 15.250 72 HG2 LYS 10 HG2 LYS 10 13.767 1.372 13.152 73 HG3 LYS 10 HG3 LYS 10 12.578 2.673 13.065 74 HD2 LYS 10 HD2 LYS 10 13.169 3.019 15.575 75 HD3 LYS 10 HD3 LYS 10 14.630 2.115 15.170 76 HE2 LYS 10 HE2 LYS 10 14.739 3.825 13.177 77 HE3 LYS 10 HE3 LYS 10 13.731 4.803 14.242 78 HZ1 LYS 10 HZ1 LYS 10 16.482 3.829 14.704 79 HZ2 LYS 10 HZ2 LYS 10 15.503 4.340 15.985 80 HZ3 LYS 10 HZ3 LYS 10 15.906 5.419 14.746 81 HA PRO 11 HA PRO 11 8.607 -2.906 14.302 82 HB2 PRO 11 HB2 PRO 11 9.852 -5.196 15.061 83 HB3 PRO 11 HB3 PRO 11 9.551 -4.782 13.370 84 HG2 PRO 11 HG2 PRO 11 12.058 -4.479 14.977 85 HG3 PRO 11 HG3 PRO 11 11.859 -5.062 13.314 86 HD2 PRO 11 HD2 PRO 11 12.668 -2.543 13.888 87 HD3 PRO 11 HD3 PRO 11 11.697 -2.930 12.453 88 H ARG 12 H ARG 12 11.504 -3.428 16.330 89 HA ARG 12 HA ARG 12 10.192 -3.925 18.718 90 HB2 ARG 12 HB2 ARG 12 12.898 -2.751 18.119 91 HB3 ARG 12 HB3 ARG 12 12.353 -3.006 19.771 92 HG2 ARG 12 HG2 ARG 12 12.195 -5.281 17.867 93 HG3 ARG 12 HG3 ARG 12 13.775 -4.811 18.496 94 HD2 ARG 12 HD2 ARG 12 12.131 -4.816 20.727 95 HD3 ARG 12 HD3 ARG 12 11.596 -6.216 19.798 96 HE ARG 12 HE ARG 12 13.555 -7.262 20.332 97 HH11 ARG 12 HH11 ARG 12 13.920 -3.843 20.878 98 HH12 ARG 12 HH12 ARG 12 15.482 -3.995 21.612 99 HH21 ARG 12 HH21 ARG 12 15.610 -7.475 21.297 100 HH22 ARG 12 HH22 ARG 12 16.443 -6.061 21.849 101 H GLU 13 H GLU 13 11.362 -0.820 17.443 102 HA GLU 13 HA GLU 13 10.502 0.731 19.645 103 HB2 GLU 13 HB2 GLU 13 11.256 1.365 16.809 104 HB3 GLU 13 HB3 GLU 13 10.603 2.617 17.857 105 HG2 GLU 13 HG2 GLU 13 12.669 1.222 19.244 106 HG3 GLU 13 HG3 GLU 13 13.261 1.719 17.660 107 H ALA 14 H ALA 14 8.810 -0.722 17.066 108 HA ALA 14 HA ALA 14 6.629 1.108 16.900 109 HB1 ALA 14 HB1 ALA 14 7.480 -1.051 15.423 110 HB2 ALA 14 HB2 ALA 14 5.998 -1.640 16.178 111 HB3 ALA 14 HB3 ALA 14 5.966 -0.174 15.198 112 H LEU 15 H LEU 15 7.152 -1.956 18.612 113 HA LEU 15 HA LEU 15 4.577 -2.158 19.729 114 HB2 LEU 15 HB2 LEU 15 5.796 -4.119 19.809 115 HB3 LEU 15 HB3 LEU 15 7.253 -3.309 20.381 116 HG LEU 15 HG LEU 15 6.049 -2.981 22.584 117 HD11 LEU 15 HD11 LEU 15 4.163 -4.388 23.072 118 HD12 LEU 15 HD12 LEU 15 4.201 -5.073 21.447 119 HD13 LEU 15 HD13 LEU 15 3.778 -3.377 21.680 120 HD21 LEU 15 HD21 LEU 15 7.393 -4.657 23.135 121 HD22 LEU 15 HD22 LEU 15 7.364 -5.267 21.481 122 HD23 LEU 15 HD23 LEU 15 6.143 -5.797 22.638 123 H LEU 16 H LEU 16 7.531 -0.596 20.863 124 HA LEU 16 HA LEU 16 6.572 0.069 23.443 125 HB2 LEU 16 HB2 LEU 16 8.631 1.628 21.909 126 HB3 LEU 16 HB3 LEU 16 8.487 1.432 23.654 127 HG LEU 16 HG LEU 16 9.239 -0.780 21.746 128 HD11 LEU 16 HD11 LEU 16 11.322 0.044 23.539 129 HD12 LEU 16 HD12 LEU 16 10.788 1.407 22.556 130 HD13 LEU 16 HD13 LEU 16 11.341 -0.076 21.779 131 HD21 LEU 16 HD21 LEU 16 10.154 -1.498 24.181 132 HD22 LEU 16 HD22 LEU 16 8.589 -1.988 23.532 133 HD23 LEU 16 HD23 LEU 16 8.697 -0.614 24.635 134 H TRP 17 H TRP 17 6.605 1.804 20.360 135 HA TRP 17 HA TRP 17 5.459 4.192 21.437 136 HB2 TRP 17 HB2 TRP 17 6.686 3.468 19.037 137 HB3 TRP 17 HB3 TRP 17 5.024 3.839 18.588 138 HD1 TRP 17 HD1 TRP 17 4.432 6.275 20.473 139 HE1 TRP 17 HE1 TRP 17 5.637 8.521 20.112 140 HE3 TRP 17 HE3 TRP 17 8.489 4.606 17.849 141 HZ2 TRP 17 HZ2 TRP 17 7.996 9.460 18.878 142 HZ3 TRP 17 HZ3 TRP 17 10.174 6.242 17.115 143 HH2 TRP 17 HH2 TRP 17 9.930 8.618 17.619 144 H ALA 18 H ALA 18 4.216 1.264 19.981 145 HA ALA 18 HA ALA 18 1.560 2.242 19.579 146 HB1 ALA 18 HB1 ALA 18 1.025 0.110 18.834 147 HB2 ALA 18 HB2 ALA 18 2.740 0.247 18.442 148 HB3 ALA 18 HB3 ALA 18 2.231 -0.661 19.865 149 H LEU 19 H LEU 19 2.801 -0.230 21.839 150 HA LEU 19 HA LEU 19 0.558 -0.472 23.423 151 HB2 LEU 19 HB2 LEU 19 1.953 -1.430 25.089 152 HB3 LEU 19 HB3 LEU 19 2.610 -1.882 23.518 153 HG LEU 19 HG LEU 19 4.178 0.182 23.921 154 HD11 LEU 19 HD11 LEU 19 3.081 -0.432 26.635 155 HD12 LEU 19 HD12 LEU 19 3.383 1.131 25.877 156 HD13 LEU 19 HD13 LEU 19 4.735 0.152 26.445 157 HD21 LEU 19 HD21 LEU 19 4.716 -2.262 25.574 158 HD22 LEU 19 HD22 LEU 19 5.845 -1.286 24.633 159 HD23 LEU 19 HD23 LEU 19 4.686 -2.333 23.812 160 H SER 20 H SER 20 2.903 2.084 23.341 161 HA SER 20 HA SER 20 1.981 3.239 25.844 162 HB2 SER 20 HB2 SER 20 4.367 3.371 25.309 163 HB3 SER 20 HB3 SER 20 4.000 4.248 23.824 164 HG SER 20 HG SER 20 3.768 6.016 24.940 165 H ASP 21 H ASP 21 1.309 3.457 22.491 166 HA ASP 21 HA ASP 21 0.341 6.117 22.383 167 HB2 ASP 21 HB2 ASP 21 0.925 4.872 20.359 168 HB3 ASP 21 HB3 ASP 21 -0.373 3.724 20.674 169 H LEU 22 H LEU 22 -1.087 3.071 23.337 170 HA LEU 22 HA LEU 22 -3.748 4.233 23.522 171 HB2 LEU 22 HB2 LEU 22 -4.146 1.847 24.557 172 HB3 LEU 22 HB3 LEU 22 -4.010 2.088 22.816 173 HG LEU 22 HG LEU 22 -1.503 1.452 24.248 174 HD11 LEU 22 HD11 LEU 22 -3.624 -0.639 23.789 175 HD12 LEU 22 HD12 LEU 22 -3.128 -0.020 25.364 176 HD13 LEU 22 HD13 LEU 22 -1.981 -0.915 24.367 177 HD21 LEU 22 HD21 LEU 22 -1.734 1.785 21.779 178 HD22 LEU 22 HD22 LEU 22 -2.715 0.320 21.733 179 HD23 LEU 22 HD23 LEU 22 -1.031 0.237 22.251 180 H GLU 23 H GLU 23 -4.966 4.233 25.493 181 HA GLU 23 HA GLU 23 -3.535 5.267 27.696 182 HB2 GLU 23 HB2 GLU 23 -6.390 4.352 27.378 183 HB3 GLU 23 HB3 GLU 23 -5.776 5.027 28.881 184 HG2 GLU 23 HG2 GLU 23 -5.978 7.099 28.127 185 HG3 GLU 23 HG3 GLU 23 -5.112 6.715 26.641 186 H GLU 24 H GLU 24 -3.497 4.420 29.886 187 HA GLU 24 HA GLU 24 -2.473 1.798 30.005 188 HB2 GLU 24 HB2 GLU 24 -2.539 2.135 32.481 189 HB3 GLU 24 HB3 GLU 24 -1.730 3.426 31.602 190 HG2 GLU 24 HG2 GLU 24 -4.557 3.952 31.961 191 HG3 GLU 24 HG3 GLU 24 -3.717 3.713 33.492 192 H ASN 25 H ASN 25 -5.657 3.127 30.604 193 HA ASN 25 HA ASN 25 -6.712 0.775 31.842 194 HB2 ASN 25 HB2 ASN 25 -7.720 3.413 31.022 195 HB3 ASN 25 HB3 ASN 25 -8.906 2.117 30.899 196 HD21 ASN 25 HD21 ASN 25 -10.086 3.139 32.569 197 HD22 ASN 25 HD22 ASN 25 -9.608 2.973 34.221 198 H ASP 26 H ASP 26 -5.600 1.139 28.845 199 HA ASP 26 HA ASP 26 -7.702 -0.523 27.620 200 HB2 ASP 26 HB2 ASP 26 -5.625 1.202 26.252 201 HB3 ASP 26 HB3 ASP 26 -6.862 0.243 25.444 202 H PHE 27 H PHE 27 -4.173 -0.013 27.520 203 HA PHE 27 HA PHE 27 -3.530 -2.446 26.302 204 HB2 PHE 27 HB2 PHE 27 -1.622 -1.252 26.273 205 HB3 PHE 27 HB3 PHE 27 -2.096 -0.306 27.680 206 HD1 PHE 27 HD1 PHE 27 -1.515 -1.039 29.926 207 HD2 PHE 27 HD2 PHE 27 -0.270 -3.223 26.491 208 HE1 PHE 27 HE1 PHE 27 0.126 -2.255 31.298 209 HE2 PHE 27 HE2 PHE 27 1.371 -4.444 27.858 210 HZ PHE 27 HZ PHE 27 1.571 -3.961 30.265 211 H LYS 28 H LYS 28 -3.744 -1.580 29.733 212 HA LYS 28 HA LYS 28 -2.867 -4.002 30.811 213 HB2 LYS 28 HB2 LYS 28 -3.073 -2.106 32.246 214 HB3 LYS 28 HB3 LYS 28 -4.780 -1.921 31.865 215 HG2 LYS 28 HG2 LYS 28 -4.325 -4.532 32.937 216 HG3 LYS 28 HG3 LYS 28 -3.624 -3.318 34.009 217 HD2 LYS 28 HD2 LYS 28 -5.637 -2.522 34.618 218 HD3 LYS 28 HD3 LYS 28 -6.285 -2.637 32.980 219 HE2 LYS 28 HE2 LYS 28 -6.792 -4.935 33.247 220 HE3 LYS 28 HE3 LYS 28 -5.849 -5.043 34.733 221 HZ1 LYS 28 HZ1 LYS 28 -7.590 -3.189 35.438 222 HZ2 LYS 28 HZ2 LYS 28 -7.889 -4.840 35.642 223 HZ3 LYS 28 HZ3 LYS 28 -8.543 -4.020 34.315 224 H LYS 29 H LYS 29 -6.132 -2.943 29.921 225 HA LYS 29 HA LYS 29 -7.584 -5.115 30.841 226 HB2 LYS 29 HB2 LYS 29 -7.973 -2.983 28.880 227 HB3 LYS 29 HB3 LYS 29 -8.847 -4.454 28.474 228 HG2 LYS 29 HG2 LYS 29 -10.188 -2.870 29.794 229 HG3 LYS 29 HG3 LYS 29 -9.978 -4.428 30.598 230 HD2 LYS 29 HD2 LYS 29 -8.324 -3.526 32.068 231 HD3 LYS 29 HD3 LYS 29 -8.261 -2.015 31.159 232 HE2 LYS 29 HE2 LYS 29 -9.544 -1.654 33.153 233 HE3 LYS 29 HE3 LYS 29 -10.636 -1.616 31.770 234 HZ1 LYS 29 HZ1 LYS 29 -11.631 -3.549 32.382 235 HZ2 LYS 29 HZ2 LYS 29 -11.189 -2.996 33.918 236 HZ3 LYS 29 HZ3 LYS 29 -10.253 -4.171 33.142 237 H LEU 30 H LEU 30 -5.849 -4.723 27.782 238 HA LEU 30 HA LEU 30 -6.684 -7.170 26.635 239 HB2 LEU 30 HB2 LEU 30 -4.019 -6.127 25.917 240 HB3 LEU 30 HB3 LEU 30 -5.359 -6.623 24.885 241 HG LEU 30 HG LEU 30 -5.100 -3.983 26.325 242 HD11 LEU 30 HD11 LEU 30 -5.198 -4.360 23.363 243 HD12 LEU 30 HD12 LEU 30 -3.675 -4.547 24.230 244 HD13 LEU 30 HD13 LEU 30 -4.549 -3.017 24.303 245 HD21 LEU 30 HD21 LEU 30 -7.088 -3.549 24.646 246 HD22 LEU 30 HD22 LEU 30 -7.372 -4.218 26.253 247 HD23 LEU 30 HD23 LEU 30 -7.330 -5.284 24.848 248 H LYS 31 H LYS 31 -3.609 -6.263 28.196 249 HA LYS 31 HA LYS 31 -2.420 -8.782 28.135 250 HB2 LYS 31 HB2 LYS 31 -2.070 -6.674 30.273 251 HB3 LYS 31 HB3 LYS 31 -0.941 -7.965 29.885 252 HG2 LYS 31 HG2 LYS 31 -1.630 -5.543 28.254 253 HG3 LYS 31 HG3 LYS 31 -0.060 -6.024 28.902 254 HD2 LYS 31 HD2 LYS 31 0.147 -7.791 27.345 255 HD3 LYS 31 HD3 LYS 31 -1.551 -7.677 26.877 256 HE2 LYS 31 HE2 LYS 31 0.472 -5.490 26.423 257 HE3 LYS 31 HE3 LYS 31 0.064 -6.716 25.223 258 HZ1 LYS 31 HZ1 LYS 31 -1.143 -4.422 25.241 259 HZ2 LYS 31 HZ2 LYS 31 -2.101 -5.147 26.431 260 HZ3 LYS 31 HZ3 LYS 31 -2.003 -5.836 24.889 261 H PHE 32 H PHE 32 -4.772 -7.425 30.340 262 HA PHE 32 HA PHE 32 -4.563 -9.200 32.469 263 HB2 PHE 32 HB2 PHE 32 -5.962 -7.288 32.717 264 HB3 PHE 32 HB3 PHE 32 -6.943 -7.740 31.326 265 HD1 PHE 32 HD1 PHE 32 -5.822 -9.572 34.378 266 HD2 PHE 32 HD2 PHE 32 -9.079 -8.243 31.982 267 HE1 PHE 32 HE1 PHE 32 -7.391 -10.739 35.871 268 HE2 PHE 32 HE2 PHE 32 -10.654 -9.408 33.471 269 HZ PHE 32 HZ PHE 32 -9.811 -10.657 35.419 270 H TYR 33 H TYR 33 -6.543 -9.461 29.530 271 HA TYR 33 HA TYR 33 -7.247 -12.205 30.239 272 HB2 TYR 33 HB2 TYR 33 -9.011 -10.651 29.430 273 HB3 TYR 33 HB3 TYR 33 -8.169 -10.539 27.888 274 HD1 TYR 33 HD1 TYR 33 -8.098 -12.471 26.368 275 HD2 TYR 33 HD2 TYR 33 -10.317 -12.587 29.997 276 HE1 TYR 33 HE1 TYR 33 -9.316 -14.447 25.553 277 HE2 TYR 33 HE2 TYR 33 -11.540 -14.564 29.193 278 HH TYR 33 HH TYR 33 -11.808 -16.018 27.543 279 H LEU 34 H LEU 34 -5.835 -10.426 27.497 280 HA LEU 34 HA LEU 34 -5.194 -12.558 25.865 281 HB2 LEU 34 HB2 LEU 34 -3.969 -9.871 26.305 282 HB3 LEU 34 HB3 LEU 34 -3.170 -11.025 25.238 283 HG LEU 34 HG LEU 34 -4.627 -9.339 24.094 284 HD11 LEU 34 HD11 LEU 34 -4.028 -11.743 23.307 285 HD12 LEU 34 HD12 LEU 34 -5.262 -10.822 22.448 286 HD13 LEU 34 HD13 LEU 34 -5.736 -12.068 23.602 287 HD21 LEU 34 HD21 LEU 34 -6.823 -10.912 25.436 288 HD22 LEU 34 HD22 LEU 34 -7.054 -9.725 24.153 289 HD23 LEU 34 HD23 LEU 34 -6.423 -9.218 25.720 290 H ARG 35 H ARG 35 -2.962 -10.975 28.159 291 HA ARG 35 HA ARG 35 -0.947 -12.930 27.939 292 HB2 ARG 35 HB2 ARG 35 -1.347 -10.498 29.353 293 HB3 ARG 35 HB3 ARG 35 -0.864 -11.716 30.525 294 HG2 ARG 35 HG2 ARG 35 0.822 -12.009 28.281 295 HG3 ARG 35 HG3 ARG 35 0.741 -10.288 28.661 296 HD2 ARG 35 HD2 ARG 35 1.531 -12.542 30.496 297 HD3 ARG 35 HD3 ARG 35 2.552 -11.234 29.900 298 HE ARG 35 HE ARG 35 0.820 -11.153 32.155 299 HH11 ARG 35 HH11 ARG 35 2.107 -9.216 29.564 300 HH12 ARG 35 HH12 ARG 35 1.951 -7.723 30.428 301 HH21 ARG 35 HH21 ARG 35 0.609 -9.193 33.303 302 HH22 ARG 35 HH22 ARG 35 1.100 -7.711 32.555 303 H ASP 36 H ASP 36 -3.846 -12.760 29.841 304 HA ASP 36 HA ASP 36 -3.264 -14.522 31.908 305 HB2 ASP 36 HB2 ASP 36 -5.602 -13.316 30.787 306 HB3 ASP 36 HB3 ASP 36 -5.934 -15.022 31.076 307 H MET 37 H MET 37 -4.740 -15.279 28.751 308 HA MET 37 HA MET 37 -4.334 -18.120 29.217 309 HB2 MET 37 HB2 MET 37 -6.127 -16.543 27.654 310 HB3 MET 37 HB3 MET 37 -5.248 -17.614 26.570 311 HG2 MET 37 HG2 MET 37 -5.884 -19.368 28.482 312 HG3 MET 37 HG3 MET 37 -7.223 -18.238 28.671 313 HE1 MET 37 HE1 MET 37 -9.207 -19.318 27.998 314 HE2 MET 37 HE2 MET 37 -9.224 -17.982 26.847 315 HE3 MET 37 HE3 MET 37 -9.656 -19.609 26.317 316 H THR 38 H THR 38 -3.630 -15.965 26.460 317 HA THR 38 HA THR 38 -1.884 -17.526 25.073 318 HB THR 38 HB THR 38 -0.990 -15.581 24.054 319 HG1 THR 38 HG1 THR 38 -1.790 -14.206 26.419 320 HG21 THR 38 HG21 THR 38 -3.409 -14.143 24.662 321 HG22 THR 38 HG22 THR 38 -3.748 -15.864 24.482 322 HG23 THR 38 HG23 THR 38 -2.951 -14.981 23.180 323 H LEU 39 H LEU 39 -0.949 -15.231 27.638 324 HA LEU 39 HA LEU 39 1.685 -16.498 27.771 325 HB2 LEU 39 HB2 LEU 39 0.555 -13.908 28.747 326 HB3 LEU 39 HB3 LEU 39 2.027 -14.555 29.468 327 HG LEU 39 HG LEU 39 2.651 -12.953 27.815 328 HD11 LEU 39 HD11 LEU 39 3.483 -15.604 27.777 329 HD12 LEU 39 HD12 LEU 39 4.325 -14.218 27.085 330 HD13 LEU 39 HD13 LEU 39 3.244 -15.184 26.081 331 HD21 LEU 39 HD21 LEU 39 0.477 -13.080 26.568 332 HD22 LEU 39 HD22 LEU 39 1.097 -14.525 25.769 333 HD23 LEU 39 HD23 LEU 39 1.916 -12.977 25.553 334 H SER 40 H SER 40 2.600 -16.624 30.085 335 HA SER 40 HA SER 40 0.606 -18.015 31.737 336 HB2 SER 40 HB2 SER 40 2.839 -19.096 30.820 337 HB3 SER 40 HB3 SER 40 3.545 -18.288 32.219 338 HG SER 40 HG SER 40 2.725 -19.790 33.421 339 H GLU 41 H GLU 41 1.703 -18.083 34.163 340 HA GLU 41 HA GLU 41 1.244 -15.452 35.155 341 HB2 GLU 41 HB2 GLU 41 1.725 -18.127 36.287 342 HB3 GLU 41 HB3 GLU 41 2.307 -16.797 37.279 343 HG2 GLU 41 HG2 GLU 41 0.197 -15.952 37.630 344 HG3 GLU 41 HG3 GLU 41 -0.460 -16.703 36.177 345 H GLY 42 H GLY 42 2.782 -14.410 36.737 346 HA2 GLY 42 HA2 GLY 42 5.141 -14.208 37.408 347 HA3 GLY 42 HA3 GLY 42 5.560 -14.657 35.761 348 H GLN 43 H GLN 43 2.982 -12.429 36.612 349 HA GLN 43 HA GLN 43 4.612 -10.220 35.546 350 HB2 GLN 43 HB2 GLN 43 2.290 -9.342 34.741 351 HB3 GLN 43 HB3 GLN 43 3.145 -10.548 33.787 352 HG2 GLN 43 HG2 GLN 43 0.711 -10.974 34.067 353 HG3 GLN 43 HG3 GLN 43 1.754 -12.294 34.593 354 HE21 GLN 43 HE21 GLN 43 0.979 -13.232 36.330 355 HE22 GLN 43 HE22 GLN 43 0.221 -12.445 37.668 356 HA PRO 44 HA PRO 44 3.523 -7.866 39.083 357 HB2 PRO 44 HB2 PRO 44 3.271 -5.369 38.047 358 HB3 PRO 44 HB3 PRO 44 4.831 -6.178 38.235 359 HG2 PRO 44 HG2 PRO 44 3.122 -5.903 35.793 360 HG3 PRO 44 HG3 PRO 44 4.880 -5.729 35.954 361 HD2 PRO 44 HD2 PRO 44 3.721 -7.979 34.991 362 HD3 PRO 44 HD3 PRO 44 5.235 -8.006 35.918 363 HA PRO 45 HA PRO 45 -0.810 -7.243 39.496 364 HB2 PRO 45 HB2 PRO 45 -0.958 -5.094 41.149 365 HB3 PRO 45 HB3 PRO 45 -0.437 -6.693 41.695 366 HG2 PRO 45 HG2 PRO 45 1.219 -4.311 40.955 367 HG3 PRO 45 HG3 PRO 45 1.413 -5.429 42.318 368 HD2 PRO 45 HD2 PRO 45 2.904 -5.606 40.066 369 HD3 PRO 45 HD3 PRO 45 2.445 -7.030 41.022 370 H LEU 46 H LEU 46 -2.535 -5.387 39.503 371 HA LEU 46 HA LEU 46 -2.228 -4.000 36.988 372 HB2 LEU 46 HB2 LEU 46 -4.566 -3.824 38.867 373 HB3 LEU 46 HB3 LEU 46 -4.542 -3.525 37.130 374 HG LEU 46 HG LEU 46 -4.316 -6.195 38.515 375 HD11 LEU 46 HD11 LEU 46 -6.531 -6.154 38.395 376 HD12 LEU 46 HD12 LEU 46 -6.374 -6.186 36.639 377 HD13 LEU 46 HD13 LEU 46 -6.515 -4.644 37.483 378 HD21 LEU 46 HD21 LEU 46 -4.568 -6.889 35.981 379 HD22 LEU 46 HD22 LEU 46 -2.986 -6.593 36.702 380 HD23 LEU 46 HD23 LEU 46 -3.757 -5.345 35.721 381 H ALA 47 H ALA 47 -1.651 -1.946 36.735 382 HA ALA 47 HA ALA 47 -2.241 0.044 38.748 383 HB1 ALA 47 HB1 ALA 47 0.016 -1.162 39.281 384 HB2 ALA 47 HB2 ALA 47 0.639 -0.131 37.992 385 HB3 ALA 47 HB3 ALA 47 -0.111 0.592 39.415 386 H ARG 48 H ARG 48 -2.855 1.822 37.716 387 HA ARG 48 HA ARG 48 -2.749 2.125 34.939 388 HB2 ARG 48 HB2 ARG 48 -3.465 4.464 35.366 389 HB3 ARG 48 HB3 ARG 48 -4.419 3.278 36.246 390 HG2 ARG 48 HG2 ARG 48 -3.760 4.043 38.249 391 HG3 ARG 48 HG3 ARG 48 -2.106 4.335 37.709 392 HD2 ARG 48 HD2 ARG 48 -3.348 6.248 36.318 393 HD3 ARG 48 HD3 ARG 48 -4.466 6.124 37.676 394 HE ARG 48 HE ARG 48 -1.770 6.308 38.562 395 HH11 ARG 48 HH11 ARG 48 -4.422 8.187 37.313 396 HH12 ARG 48 HH12 ARG 48 -3.899 9.661 38.059 397 HH21 ARG 48 HH21 ARG 48 -1.072 8.243 39.548 398 HH22 ARG 48 HH22 ARG 48 -1.993 9.692 39.329 399 H GLY 49 H GLY 49 -0.463 2.952 37.408 400 HA2 GLY 49 HA2 GLY 49 1.013 4.851 35.840 401 HA3 GLY 49 HA3 GLY 49 1.531 4.119 37.351 402 H GLU 50 H GLU 50 0.777 1.487 35.758 403 HA GLU 50 HA GLU 50 3.417 0.713 35.219 404 HB2 GLU 50 HB2 GLU 50 0.759 -0.442 34.393 405 HB3 GLU 50 HB3 GLU 50 2.284 -1.195 33.947 406 HG2 GLU 50 HG2 GLU 50 2.230 -0.616 36.762 407 HG3 GLU 50 HG3 GLU 50 0.825 -1.570 36.291 408 H LEU 51 H LEU 51 1.035 2.300 33.256 409 HA LEU 51 HA LEU 51 2.743 2.010 30.882 410 HB2 LEU 51 HB2 LEU 51 0.169 1.495 30.983 411 HB3 LEU 51 HB3 LEU 51 0.030 3.242 30.790 412 HG LEU 51 HG LEU 51 1.706 2.687 28.759 413 HD11 LEU 51 HD11 LEU 51 0.865 0.148 29.600 414 HD12 LEU 51 HD12 LEU 51 1.737 0.564 28.125 415 HD13 LEU 51 HD13 LEU 51 -0.025 0.495 28.117 416 HD21 LEU 51 HD21 LEU 51 -1.132 3.169 29.093 417 HD22 LEU 51 HD22 LEU 51 -0.784 2.246 27.631 418 HD23 LEU 51 HD23 LEU 51 -0.010 3.810 27.893 419 H GLU 52 H GLU 52 0.850 4.458 32.645 420 HA GLU 52 HA GLU 52 2.026 6.649 31.244 421 HB2 GLU 52 HB2 GLU 52 -0.132 7.030 32.130 422 HB3 GLU 52 HB3 GLU 52 0.327 6.436 33.719 423 HG2 GLU 52 HG2 GLU 52 1.099 8.423 34.374 424 HG3 GLU 52 HG3 GLU 52 1.889 8.735 32.830 425 H GLY 53 H GLY 53 2.353 5.492 34.606 426 HA2 GLY 53 HA2 GLY 53 4.393 7.259 35.358 427 HA3 GLY 53 HA3 GLY 53 4.066 5.707 36.116 428 H LEU 54 H LEU 54 4.733 3.825 34.445 429 HA LEU 54 HA LEU 54 7.589 4.080 34.227 430 HB2 LEU 54 HB2 LEU 54 5.970 1.779 33.190 431 HB3 LEU 54 HB3 LEU 54 7.627 1.778 33.792 432 HG LEU 54 HG LEU 54 5.111 2.050 35.434 433 HD11 LEU 54 HD11 LEU 54 6.267 -0.213 34.426 434 HD12 LEU 54 HD12 LEU 54 5.257 -0.136 35.869 435 HD13 LEU 54 HD13 LEU 54 7.013 -0.086 36.019 436 HD21 LEU 54 HD21 LEU 54 6.606 3.361 36.611 437 HD22 LEU 54 HD22 LEU 54 8.002 2.409 36.106 438 HD23 LEU 54 HD23 LEU 54 6.885 1.767 37.311 439 H ILE 55 H ILE 55 8.262 2.607 32.033 440 HA ILE 55 HA ILE 55 7.252 4.223 29.784 441 HB ILE 55 HB ILE 55 9.533 3.944 28.767 442 HG12 ILE 55 HG12 ILE 55 10.151 2.955 31.555 443 HG13 ILE 55 HG13 ILE 55 10.388 2.094 30.039 444 HG21 ILE 55 HG21 ILE 55 10.504 5.785 29.977 445 HG22 ILE 55 HG22 ILE 55 8.759 6.018 29.878 446 HG23 ILE 55 HG23 ILE 55 9.489 5.449 31.379 447 HD11 ILE 55 HD11 ILE 55 12.519 2.772 30.535 448 HD12 ILE 55 HD12 ILE 55 11.974 4.081 29.486 449 HD13 ILE 55 HD13 ILE 55 11.986 4.300 31.235 450 HA PRO 56 HA PRO 56 6.405 0.535 27.562 451 HB2 PRO 56 HB2 PRO 56 7.082 1.230 25.027 452 HB3 PRO 56 HB3 PRO 56 5.649 1.863 25.846 453 HG2 PRO 56 HG2 PRO 56 8.334 3.133 25.472 454 HG3 PRO 56 HG3 PRO 56 6.723 3.854 25.309 455 HD2 PRO 56 HD2 PRO 56 8.253 4.193 27.516 456 HD3 PRO 56 HD3 PRO 56 6.480 4.136 27.584 457 H VAL 57 H VAL 57 9.565 1.979 26.826 458 HA VAL 57 HA VAL 57 10.730 -0.323 25.691 459 HB VAL 57 HB VAL 57 12.090 1.965 27.123 460 HG11 VAL 57 HG11 VAL 57 13.138 -0.250 25.385 461 HG12 VAL 57 HG12 VAL 57 14.017 1.264 25.612 462 HG13 VAL 57 HG13 VAL 57 13.669 0.229 26.997 463 HG21 VAL 57 HG21 VAL 57 12.253 1.891 24.223 464 HG22 VAL 57 HG22 VAL 57 10.594 2.039 24.802 465 HG23 VAL 57 HG23 VAL 57 11.809 3.218 25.296 466 H ASP 58 H ASP 58 9.997 0.499 28.932 467 HA ASP 58 HA ASP 58 11.908 -1.413 30.034 468 HB2 ASP 58 HB2 ASP 58 11.520 0.814 31.127 469 HB3 ASP 58 HB3 ASP 58 9.886 0.280 31.512 470 H LEU 59 H LEU 59 8.406 -0.796 30.352 471 HA LEU 59 HA LEU 59 7.753 -3.232 31.540 472 HB2 LEU 59 HB2 LEU 59 5.767 -2.260 31.619 473 HB3 LEU 59 HB3 LEU 59 6.389 -0.962 30.601 474 HG LEU 59 HG LEU 59 5.260 -3.474 29.408 475 HD11 LEU 59 HD11 LEU 59 3.743 -1.007 30.241 476 HD12 LEU 59 HD12 LEU 59 3.533 -2.639 30.874 477 HD13 LEU 59 HD13 LEU 59 3.113 -2.282 29.198 478 HD21 LEU 59 HD21 LEU 59 4.832 -0.944 28.059 479 HD22 LEU 59 HD22 LEU 59 5.563 -2.434 27.462 480 HD23 LEU 59 HD23 LEU 59 6.543 -1.263 28.346 481 H ALA 60 H ALA 60 8.101 -2.355 28.154 482 HA ALA 60 HA ALA 60 6.968 -4.660 27.014 483 HB1 ALA 60 HB1 ALA 60 9.140 -2.863 25.943 484 HB2 ALA 60 HB2 ALA 60 8.247 -4.057 24.999 485 HB3 ALA 60 HB3 ALA 60 7.403 -2.675 25.698 486 H GLU 61 H GLU 61 10.302 -3.925 27.977 487 HA GLU 61 HA GLU 61 11.533 -6.229 27.017 488 HB2 GLU 61 HB2 GLU 61 12.151 -4.168 29.024 489 HB3 GLU 61 HB3 GLU 61 12.941 -5.714 29.301 490 HG2 GLU 61 HG2 GLU 61 13.114 -4.879 26.532 491 HG3 GLU 61 HG3 GLU 61 13.810 -3.695 27.636 492 H LEU 62 H LEU 62 9.609 -5.710 29.887 493 HA LEU 62 HA LEU 62 10.313 -8.173 31.158 494 HB2 LEU 62 HB2 LEU 62 9.545 -6.442 32.563 495 HB3 LEU 62 HB3 LEU 62 8.112 -6.172 31.573 496 HG LEU 62 HG LEU 62 8.310 -8.843 32.797 497 HD11 LEU 62 HD11 LEU 62 7.415 -7.880 34.969 498 HD12 LEU 62 HD12 LEU 62 8.087 -6.339 34.439 499 HD13 LEU 62 HD13 LEU 62 9.148 -7.725 34.685 500 HD21 LEU 62 HD21 LEU 62 6.243 -6.798 32.163 501 HD22 LEU 62 HD22 LEU 62 5.896 -7.994 33.411 502 HD23 LEU 62 HD23 LEU 62 6.290 -8.517 31.773 503 H LEU 63 H LEU 63 7.543 -7.067 29.236 504 HA LEU 63 HA LEU 63 6.015 -9.404 29.391 505 HB2 LEU 63 HB2 LEU 63 5.623 -6.987 28.313 506 HB3 LEU 63 HB3 LEU 63 5.995 -7.891 26.846 507 HG LEU 63 HG LEU 63 3.891 -8.886 28.728 508 HD11 LEU 63 HD11 LEU 63 3.679 -6.602 26.805 509 HD12 LEU 63 HD12 LEU 63 3.067 -6.733 28.453 510 HD13 LEU 63 HD13 LEU 63 2.289 -7.632 27.151 511 HD21 LEU 63 HD21 LEU 63 3.394 -9.101 25.900 512 HD22 LEU 63 HD22 LEU 63 3.530 -10.371 27.116 513 HD23 LEU 63 HD23 LEU 63 4.976 -9.763 26.309 514 H ILE 64 H ILE 64 8.311 -8.380 26.866 515 HA ILE 64 HA ILE 64 8.132 -10.657 25.266 516 HB ILE 64 HB ILE 64 10.344 -10.039 24.381 517 HG12 ILE 64 HG12 ILE 64 10.778 -7.577 25.740 518 HG13 ILE 64 HG13 ILE 64 10.620 -8.836 26.960 519 HG21 ILE 64 HG21 ILE 64 9.596 -8.173 23.280 520 HG22 ILE 64 HG22 ILE 64 8.081 -8.780 23.948 521 HG23 ILE 64 HG23 ILE 64 8.922 -7.447 24.738 522 HD11 ILE 64 HD11 ILE 64 12.402 -10.093 25.964 523 HD12 ILE 64 HD12 ILE 64 12.496 -8.963 24.613 524 HD13 ILE 64 HD13 ILE 64 12.944 -8.437 26.236 525 H SER 65 H SER 65 9.837 -10.105 28.247 526 HA SER 65 HA SER 65 11.531 -12.417 28.014 527 HB2 SER 65 HB2 SER 65 11.338 -10.154 29.744 528 HB3 SER 65 HB3 SER 65 11.281 -11.610 30.736 529 HG SER 65 HG SER 65 13.204 -12.292 29.696 530 H LYS 66 H LYS 66 8.326 -11.782 29.082 531 HA LYS 66 HA LYS 66 7.827 -13.670 31.002 532 HB2 LYS 66 HB2 LYS 66 6.109 -12.136 30.275 533 HB3 LYS 66 HB3 LYS 66 6.087 -12.854 28.670 534 HG2 LYS 66 HG2 LYS 66 4.172 -13.582 29.953 535 HG3 LYS 66 HG3 LYS 66 5.242 -14.945 29.620 536 HD2 LYS 66 HD2 LYS 66 4.623 -15.180 31.879 537 HD3 LYS 66 HD3 LYS 66 6.255 -14.507 31.914 538 HE2 LYS 66 HE2 LYS 66 4.970 -13.313 33.519 539 HE3 LYS 66 HE3 LYS 66 5.207 -12.238 32.142 540 HZ1 LYS 66 HZ1 LYS 66 2.772 -13.356 33.205 541 HZ2 LYS 66 HZ2 LYS 66 2.895 -13.469 31.522 542 HZ3 LYS 66 HZ3 LYS 66 3.008 -11.960 32.279 543 H TYR 67 H TYR 67 7.268 -14.246 27.523 544 HA TYR 67 HA TYR 67 8.185 -17.008 27.902 545 HB2 TYR 67 HB2 TYR 67 5.483 -16.160 27.317 546 HB3 TYR 67 HB3 TYR 67 6.119 -17.155 26.011 547 HD1 TYR 67 HD2 TYR 67 5.536 -17.085 29.675 548 HD2 TYR 67 HD1 TYR 67 6.277 -19.491 26.246 549 HE1 TYR 67 HE2 TYR 67 5.075 -19.105 31.000 550 HE2 TYR 67 HE1 TYR 67 5.817 -21.518 27.561 551 HH TYR 67 HH TYR 67 4.644 -21.331 30.874 552 H GLY 68 H GLY 68 7.390 -14.399 25.652 553 HA2 GLY 68 HA2 GLY 68 9.735 -14.862 24.105 554 HA3 GLY 68 HA3 GLY 68 8.312 -15.477 23.277 555 H GLU 69 H GLU 69 10.204 -13.187 22.745 556 HA GLU 69 HA GLU 69 8.762 -10.770 23.110 557 HB2 GLU 69 HB2 GLU 69 10.368 -9.806 21.526 558 HB3 GLU 69 HB3 GLU 69 11.176 -10.779 22.747 559 HG2 GLU 69 HG2 GLU 69 10.923 -12.654 20.905 560 HG3 GLU 69 HG3 GLU 69 10.867 -11.253 19.837 561 H LYS 70 H LYS 70 8.837 -13.201 20.590 562 HA LYS 70 HA LYS 70 7.597 -11.815 18.519 563 HB2 LYS 70 HB2 LYS 70 7.558 -14.725 19.295 564 HB3 LYS 70 HB3 LYS 70 6.736 -14.135 17.857 565 HG2 LYS 70 HG2 LYS 70 9.677 -13.808 18.413 566 HG3 LYS 70 HG3 LYS 70 8.969 -15.057 17.386 567 HD2 LYS 70 HD2 LYS 70 8.640 -13.632 15.677 568 HD3 LYS 70 HD3 LYS 70 8.117 -12.325 16.741 569 HE2 LYS 70 HE2 LYS 70 10.112 -11.359 16.595 570 HE3 LYS 70 HE3 LYS 70 10.902 -12.832 17.154 571 HZ1 LYS 70 HZ1 LYS 70 11.641 -13.227 15.118 572 HZ2 LYS 70 HZ2 LYS 70 11.052 -11.717 14.637 573 HZ3 LYS 70 HZ3 LYS 70 10.092 -13.097 14.451 574 H GLU 71 H GLU 71 5.866 -14.287 20.396 575 HA GLU 71 HA GLU 71 3.312 -13.467 19.791 576 HB2 GLU 71 HB2 GLU 71 2.649 -14.578 21.963 577 HB3 GLU 71 HB3 GLU 71 3.599 -15.564 20.861 578 HG2 GLU 71 HG2 GLU 71 5.127 -14.034 22.859 579 HG3 GLU 71 HG3 GLU 71 4.110 -15.331 23.484 580 H ALA 72 H ALA 72 5.554 -12.075 22.039 581 HA ALA 72 HA ALA 72 3.952 -10.701 23.797 582 HB1 ALA 72 HB1 ALA 72 6.122 -9.029 22.840 583 HB2 ALA 72 HB2 ALA 72 5.867 -9.753 24.429 584 HB3 ALA 72 HB3 ALA 72 6.637 -10.688 23.147 585 H VAL 73 H VAL 73 5.256 -9.277 20.792 586 HA VAL 73 HA VAL 73 3.676 -6.979 20.825 587 HB VAL 73 HB VAL 73 5.019 -8.451 18.571 588 HG11 VAL 73 HG11 VAL 73 4.563 -6.275 17.281 589 HG12 VAL 73 HG12 VAL 73 3.257 -7.454 17.412 590 HG13 VAL 73 HG13 VAL 73 3.263 -6.024 18.445 591 HG21 VAL 73 HG21 VAL 73 5.775 -6.442 20.491 592 HG22 VAL 73 HG22 VAL 73 6.780 -7.333 19.348 593 HG23 VAL 73 HG23 VAL 73 5.984 -5.842 18.845 594 H LYS 74 H LYS 74 3.058 -10.164 19.441 595 HA LYS 74 HA LYS 74 0.715 -9.509 18.025 596 HB2 LYS 74 HB2 LYS 74 2.251 -11.742 18.257 597 HB3 LYS 74 HB3 LYS 74 0.845 -12.211 19.203 598 HG2 LYS 74 HG2 LYS 74 -0.168 -12.760 17.316 599 HG3 LYS 74 HG3 LYS 74 -0.170 -11.053 16.868 600 HD2 LYS 74 HD2 LYS 74 2.369 -12.466 16.408 601 HD3 LYS 74 HD3 LYS 74 1.014 -13.016 15.419 602 HE2 LYS 74 HE2 LYS 74 1.332 -11.274 14.080 603 HE3 LYS 74 HE3 LYS 74 0.917 -10.204 15.418 604 HZ1 LYS 74 HZ1 LYS 74 3.175 -9.923 14.253 605 HZ2 LYS 74 HZ2 LYS 74 3.653 -11.268 15.160 606 HZ3 LYS 74 HZ3 LYS 74 3.126 -9.865 15.943 607 H VAL 75 H VAL 75 1.256 -10.543 21.356 608 HA VAL 75 HA VAL 75 -1.437 -10.926 22.075 609 HB VAL 75 HB VAL 75 0.960 -11.257 23.357 610 HG11 VAL 75 HG11 VAL 75 -0.503 -9.162 24.944 611 HG12 VAL 75 HG12 VAL 75 1.078 -9.874 25.270 612 HG13 VAL 75 HG13 VAL 75 0.865 -8.786 23.898 613 HG21 VAL 75 HG21 VAL 75 -1.787 -11.827 23.790 614 HG22 VAL 75 HG22 VAL 75 -0.376 -12.672 24.427 615 HG23 VAL 75 HG23 VAL 75 -1.082 -11.330 25.329 616 H VAL 76 H VAL 76 0.393 -8.074 21.523 617 HA VAL 76 HA VAL 76 -1.244 -6.328 23.119 618 HB VAL 76 HB VAL 76 1.089 -6.015 21.338 619 HG11 VAL 76 HG11 VAL 76 0.683 -3.512 21.258 620 HG12 VAL 76 HG12 VAL 76 -0.275 -4.500 20.152 621 HG13 VAL 76 HG13 VAL 76 -1.002 -3.875 21.633 622 HG21 VAL 76 HG21 VAL 76 0.199 -4.745 23.924 623 HG22 VAL 76 HG22 VAL 76 1.372 -6.048 23.730 624 HG23 VAL 76 HG23 VAL 76 1.744 -4.431 23.132 625 H LEU 77 H LEU 77 -0.842 -6.910 19.630 626 HA LEU 77 HA LEU 77 -2.956 -5.161 18.873 627 HB2 LEU 77 HB2 LEU 77 -2.750 -6.315 16.662 628 HB3 LEU 77 HB3 LEU 77 -1.265 -5.591 17.276 629 HG LEU 77 HG LEU 77 -1.059 -8.167 18.173 630 HD11 LEU 77 HD11 LEU 77 -1.890 -9.693 16.703 631 HD12 LEU 77 HD12 LEU 77 -1.895 -8.559 15.353 632 HD13 LEU 77 HD13 LEU 77 -3.153 -8.467 16.585 633 HD21 LEU 77 HD21 LEU 77 0.888 -7.676 17.220 634 HD22 LEU 77 HD22 LEU 77 0.144 -6.466 16.174 635 HD23 LEU 77 HD23 LEU 77 0.178 -8.160 15.680 636 H LYS 78 H LYS 78 -2.699 -8.705 19.064 637 HA LYS 78 HA LYS 78 -5.185 -9.456 18.209 638 HB2 LYS 78 HB2 LYS 78 -3.107 -10.763 19.344 639 HB3 LYS 78 HB3 LYS 78 -4.264 -10.822 20.668 640 HG2 LYS 78 HG2 LYS 78 -4.914 -11.713 17.871 641 HG3 LYS 78 HG3 LYS 78 -4.284 -12.792 19.118 642 HD2 LYS 78 HD2 LYS 78 -6.769 -11.130 19.481 643 HD3 LYS 78 HD3 LYS 78 -6.795 -12.774 18.838 644 HE2 LYS 78 HE2 LYS 78 -5.217 -12.766 21.202 645 HE3 LYS 78 HE3 LYS 78 -6.728 -11.926 21.549 646 HZ1 LYS 78 HZ1 LYS 78 -7.565 -14.078 20.164 647 HZ2 LYS 78 HZ2 LYS 78 -7.529 -13.975 21.851 648 HZ3 LYS 78 HZ3 LYS 78 -6.257 -14.720 21.023 649 H GLY 79 H GLY 79 -4.309 -8.465 21.515 650 HA2 GLY 79 HA2 GLY 79 -7.042 -8.624 22.421 651 HA3 GLY 79 HA3 GLY 79 -5.668 -8.028 23.341 652 H LEU 80 H LEU 80 -5.020 -6.189 21.024 653 HA LEU 80 HA LEU 80 -6.489 -3.940 22.004 654 HB2 LEU 80 HB2 LEU 80 -4.093 -3.971 21.157 655 HB3 LEU 80 HB3 LEU 80 -4.777 -4.011 19.534 656 HG LEU 80 HG LEU 80 -5.706 -1.838 19.781 657 HD11 LEU 80 HD11 LEU 80 -6.545 -1.956 22.024 658 HD12 LEU 80 HD12 LEU 80 -5.471 -0.563 21.898 659 HD13 LEU 80 HD13 LEU 80 -4.910 -2.042 22.680 660 HD21 LEU 80 HD21 LEU 80 -3.152 -2.170 19.490 661 HD22 LEU 80 HD22 LEU 80 -3.053 -1.520 21.127 662 HD23 LEU 80 HD23 LEU 80 -3.778 -0.558 19.838 663 H LYS 81 H LYS 81 -6.739 -6.065 19.253 664 HA LYS 81 HA LYS 81 -8.260 -4.565 17.499 665 HB2 LYS 81 HB2 LYS 81 -7.881 -7.439 18.038 666 HB3 LYS 81 HB3 LYS 81 -9.378 -7.032 17.210 667 HG2 LYS 81 HG2 LYS 81 -7.368 -5.573 15.916 668 HG3 LYS 81 HG3 LYS 81 -6.710 -7.190 16.176 669 HD2 LYS 81 HD2 LYS 81 -7.992 -8.031 14.563 670 HD3 LYS 81 HD3 LYS 81 -9.445 -7.353 15.302 671 HE2 LYS 81 HE2 LYS 81 -9.082 -6.552 12.997 672 HE3 LYS 81 HE3 LYS 81 -9.079 -5.246 14.180 673 HZ1 LYS 81 HZ1 LYS 81 -6.472 -6.350 13.683 674 HZ2 LYS 81 HZ2 LYS 81 -6.975 -4.736 13.707 675 HZ3 LYS 81 HZ3 LYS 81 -7.175 -5.662 12.306 676 H VAL 82 H VAL 82 -9.493 -6.764 20.025 677 HA VAL 82 HA VAL 82 -12.200 -6.165 19.710 678 HB VAL 82 HB VAL 82 -10.969 -6.831 22.374 679 HG11 VAL 82 HG11 VAL 82 -13.644 -6.775 21.246 680 HG12 VAL 82 HG12 VAL 82 -13.251 -8.336 21.971 681 HG13 VAL 82 HG13 VAL 82 -13.129 -6.860 22.930 682 HG21 VAL 82 HG21 VAL 82 -11.190 -8.507 19.922 683 HG22 VAL 82 HG22 VAL 82 -9.926 -8.467 21.150 684 HG23 VAL 82 HG23 VAL 82 -11.463 -9.259 21.493 685 H MET 83 H MET 83 -9.782 -4.095 20.621 686 HA MET 83 HA MET 83 -11.481 -2.497 22.392 687 HB2 MET 83 HB2 MET 83 -9.035 -3.025 22.921 688 HB3 MET 83 HB3 MET 83 -8.627 -1.897 21.635 689 HG2 MET 83 HG2 MET 83 -8.506 -0.780 23.755 690 HG3 MET 83 HG3 MET 83 -9.854 -0.131 22.824 691 HE1 MET 83 HE1 MET 83 -9.063 -1.482 26.535 692 HE2 MET 83 HE2 MET 83 -9.028 0.101 25.757 693 HE3 MET 83 HE3 MET 83 -10.348 -0.316 26.851 694 H ASN 84 H ASN 84 -10.467 -2.699 19.150 695 HA ASN 84 HA ASN 84 -11.038 -1.449 17.326 696 HB2 ASN 84 HB2 ASN 84 -12.959 -0.719 19.186 697 HB3 ASN 84 HB3 ASN 84 -12.271 0.823 18.682 698 HD21 ASN 84 HD21 ASN 84 -11.654 0.292 16.059 699 HD22 ASN 84 HD22 ASN 84 -13.112 0.027 15.170 700 H LEU 85 H LEU 85 -8.616 -1.074 18.940 701 HA LEU 85 HA LEU 85 -8.012 1.758 18.685 702 HB2 LEU 85 HB2 LEU 85 -6.949 -0.494 20.150 703 HB3 LEU 85 HB3 LEU 85 -5.668 0.387 19.319 704 HG LEU 85 HG LEU 85 -5.697 1.413 21.380 705 HD11 LEU 85 HD11 LEU 85 -6.272 3.589 20.969 706 HD12 LEU 85 HD12 LEU 85 -7.806 3.159 20.214 707 HD13 LEU 85 HD13 LEU 85 -6.296 2.940 19.329 708 HD21 LEU 85 HD21 LEU 85 -8.413 2.061 21.911 709 HD22 LEU 85 HD22 LEU 85 -7.326 1.022 22.832 710 HD23 LEU 85 HD23 LEU 85 -8.314 0.339 21.540 711 H LEU 86 H LEU 86 -8.561 0.173 16.291 712 HA LEU 86 HA LEU 86 -6.241 -0.529 14.898 713 HB2 LEU 86 HB2 LEU 86 -7.561 -0.652 12.999 714 HB3 LEU 86 HB3 LEU 86 -8.708 -0.928 14.308 715 HG LEU 86 HG LEU 86 -8.796 1.819 13.867 716 HD11 LEU 86 HD11 LEU 86 -8.565 0.304 11.278 717 HD12 LEU 86 HD12 LEU 86 -7.644 1.714 11.801 718 HD13 LEU 86 HD13 LEU 86 -9.357 1.874 11.415 719 HD21 LEU 86 HD21 LEU 86 -10.790 0.818 14.390 720 HD22 LEU 86 HD22 LEU 86 -10.536 -0.527 13.277 721 HD23 LEU 86 HD23 LEU 86 -10.999 1.058 12.655 722 H GLU 87 H GLU 87 -7.174 2.480 16.003 723 HA GLU 87 HA GLU 87 -6.536 4.271 14.005 724 HB2 GLU 87 HB2 GLU 87 -7.439 5.007 16.127 725 HB3 GLU 87 HB3 GLU 87 -5.993 4.469 16.971 726 HG2 GLU 87 HG2 GLU 87 -5.752 6.778 16.804 727 HG3 GLU 87 HG3 GLU 87 -4.726 6.135 15.524 728 H LEU 88 H LEU 88 -4.232 3.766 16.650 729 HA LEU 88 HA LEU 88 -2.019 4.397 14.946 730 HB2 LEU 88 HB2 LEU 88 -0.675 4.246 16.872 731 HB3 LEU 88 HB3 LEU 88 -2.206 4.945 17.394 732 HG LEU 88 HG LEU 88 -1.455 3.396 19.060 733 HD11 LEU 88 HD11 LEU 88 -3.879 3.479 18.504 734 HD12 LEU 88 HD12 LEU 88 -3.357 1.955 19.221 735 HD13 LEU 88 HD13 LEU 88 -3.647 2.059 17.484 736 HD21 LEU 88 HD21 LEU 88 -1.643 0.960 17.477 737 HD22 LEU 88 HD22 LEU 88 -0.420 1.462 18.645 738 HD23 LEU 88 HD23 LEU 88 -0.322 2.014 16.972 739 H VAL 89 H VAL 89 -3.590 1.498 15.985 740 HA VAL 89 HA VAL 89 -1.533 -0.369 15.700 741 HB VAL 89 HB VAL 89 -4.511 -0.555 15.419 742 HG11 VAL 89 HG11 VAL 89 -4.166 -3.059 15.256 743 HG12 VAL 89 HG12 VAL 89 -3.835 -2.130 13.793 744 HG13 VAL 89 HG13 VAL 89 -2.502 -2.704 14.795 745 HG21 VAL 89 HG21 VAL 89 -2.458 -1.596 17.356 746 HG22 VAL 89 HG22 VAL 89 -3.764 -0.451 17.661 747 HG23 VAL 89 HG23 VAL 89 -4.133 -2.148 17.352 748 H ASP 90 H ASP 90 -3.399 1.339 13.322 749 HA ASP 90 HA ASP 90 -3.325 -0.171 11.079 750 HB2 ASP 90 HB2 ASP 90 -4.203 2.121 11.135 751 HB3 ASP 90 HB3 ASP 90 -2.561 2.752 11.239 752 H GLN 91 H GLN 91 -0.620 1.878 12.171 753 HA GLN 91 HA GLN 91 1.161 0.767 10.205 754 HB2 GLN 91 HB2 GLN 91 1.438 2.758 12.428 755 HB3 GLN 91 HB3 GLN 91 2.874 2.094 11.660 756 HG2 GLN 91 HG2 GLN 91 0.755 3.175 9.896 757 HG3 GLN 91 HG3 GLN 91 1.711 4.325 10.829 758 HE21 GLN 91 HE21 GLN 91 2.753 5.189 9.072 759 HE22 GLN 91 HE22 GLN 91 3.925 4.318 8.149 760 H LEU 92 H LEU 92 1.243 0.818 13.774 761 HA LEU 92 HA LEU 92 3.269 -0.797 14.386 762 HB2 LEU 92 HB2 LEU 92 1.892 0.003 16.132 763 HB3 LEU 92 HB3 LEU 92 0.482 -0.851 15.509 764 HG LEU 92 HG LEU 92 1.630 -1.745 17.628 765 HD11 LEU 92 HD11 LEU 92 0.491 -3.615 17.221 766 HD12 LEU 92 HD12 LEU 92 1.502 -4.029 15.836 767 HD13 LEU 92 HD13 LEU 92 0.139 -2.927 15.635 768 HD21 LEU 92 HD21 LEU 92 3.642 -2.767 17.515 769 HD22 LEU 92 HD22 LEU 92 3.885 -1.648 16.174 770 HD23 LEU 92 HD23 LEU 92 3.396 -3.313 15.857 771 H SER 93 H SER 93 0.076 -2.049 13.424 772 HA SER 93 HA SER 93 0.785 -4.768 13.467 773 HB2 SER 93 HB2 SER 93 -1.268 -5.176 12.316 774 HB3 SER 93 HB3 SER 93 -1.558 -3.802 13.382 775 HG SER 93 HG SER 93 -1.475 -3.922 10.614 776 H HIS 94 H HIS 94 0.681 -2.440 10.783 777 HA HIS 94 HA HIS 94 1.632 -4.287 8.839 778 HB2 HIS 94 HB2 HIS 94 0.835 -1.497 8.923 779 HB3 HIS 94 HB3 HIS 94 2.261 -1.729 7.916 780 HD1 HIS 94 HD1 HIS 94 -0.952 -3.747 8.303 781 HD2 HIS 94 HD2 HIS 94 1.410 -1.986 5.373 782 HE1 HIS 94 HE1 HIS 94 -2.063 -4.306 6.117 783 H ILE 95 H ILE 95 3.167 -3.033 11.440 784 HA ILE 95 HA ILE 95 5.786 -2.992 10.087 785 HB ILE 95 HB ILE 95 5.012 -1.690 12.700 786 HG12 ILE 95 HG12 ILE 95 5.863 -0.347 10.135 787 HG13 ILE 95 HG13 ILE 95 4.174 -0.648 10.528 788 HG21 ILE 95 HG21 ILE 95 7.264 -2.327 12.914 789 HG22 ILE 95 HG22 ILE 95 7.629 -1.903 11.242 790 HG23 ILE 95 HG23 ILE 95 7.310 -0.633 12.424 791 HD11 ILE 95 HD11 ILE 95 6.089 1.011 12.151 792 HD12 ILE 95 HD12 ILE 95 4.827 1.624 11.082 793 HD13 ILE 95 HD13 ILE 95 4.392 0.718 12.531 794 H CYS 96 H CYS 96 3.812 -4.601 12.358 795 HA CYS 96 HA CYS 96 6.127 -6.106 13.382 796 HB2 CYS 96 HB2 CYS 96 4.984 -6.498 15.386 797 HB3 CYS 96 HB3 CYS 96 4.561 -4.835 14.999 798 HG CYS 96 HG CYS 96 2.189 -6.231 13.575 799 H LEU 97 H LEU 97 4.112 -6.336 10.964 800 HA LEU 97 HA LEU 97 3.311 -8.035 9.682 801 HB2 LEU 97 HB2 LEU 97 5.377 -9.239 11.325 802 HB3 LEU 97 HB3 LEU 97 4.123 -10.396 10.886 803 HG LEU 97 HG LEU 97 5.969 -10.492 9.316 804 HD11 LEU 97 HD11 LEU 97 4.729 -10.258 7.264 805 HD12 LEU 97 HD12 LEU 97 3.567 -9.188 8.047 806 HD13 LEU 97 HD13 LEU 97 3.663 -10.883 8.523 807 HD21 LEU 97 HD21 LEU 97 7.020 -8.443 9.297 808 HD22 LEU 97 HD22 LEU 97 5.507 -7.546 9.171 809 HD23 LEU 97 HD23 LEU 97 6.146 -8.401 7.766 810 H HIS 98 H HIS 98 1.150 -7.767 10.143 811 HA HIS 98 HA HIS 98 -0.047 -8.896 12.499 812 HB2 HIS 98 HB2 HIS 98 -2.110 -8.026 11.681 813 HB3 HIS 98 HB3 HIS 98 -0.875 -6.831 11.295 814 HD1 HIS 98 HD1 HIS 98 -3.344 -9.115 9.746 815 HD2 HIS 98 HD2 HIS 98 -0.245 -6.629 8.528 816 HE1 HIS 98 HE1 HIS 98 -3.625 -8.858 7.260 817 H ASP 99 H ASP 99 0.608 -9.951 9.278 818 HA ASP 99 HA ASP 99 -1.337 -11.893 8.887 819 HB2 ASP 99 HB2 ASP 99 1.189 -11.190 7.720 820 HB3 ASP 99 HB3 ASP 99 1.094 -12.941 7.886 821 H TYR 100 H TYR 100 1.272 -11.826 11.120 822 HA TYR 100 HA TYR 100 1.559 -14.629 11.507 823 HB2 TYR 100 HB2 TYR 100 2.693 -12.216 12.592 824 HB3 TYR 100 HB3 TYR 100 2.265 -13.314 13.899 825 HD1 TYR 100 HD1 TYR 100 3.662 -13.824 10.465 826 HD2 TYR 100 HD2 TYR 100 4.129 -14.441 14.649 827 HE1 TYR 100 HE1 TYR 100 5.710 -15.118 10.039 828 HE2 TYR 100 HE2 TYR 100 6.179 -15.736 14.235 829 HH TYR 100 HH TYR 100 6.980 -17.129 11.636 830 H ARG 101 H ARG 101 -0.651 -12.234 12.691 831 HA ARG 101 HA ARG 101 -1.668 -14.016 14.768 832 HB2 ARG 101 HB2 ARG 101 -1.450 -11.731 15.448 833 HB3 ARG 101 HB3 ARG 101 -2.314 -11.164 14.025 834 HG2 ARG 101 HG2 ARG 101 -4.042 -12.943 15.345 835 HG3 ARG 101 HG3 ARG 101 -3.338 -11.904 16.586 836 HD2 ARG 101 HD2 ARG 101 -4.952 -10.462 15.999 837 HD3 ARG 101 HD3 ARG 101 -3.905 -10.104 14.626 838 HE ARG 101 HE ARG 101 -5.702 -12.296 14.161 839 HH11 ARG 101 HH11 ARG 101 -5.328 -8.836 14.070 840 HH12 ARG 101 HH12 ARG 101 -6.568 -8.602 12.883 841 HH21 ARG 101 HH21 ARG 101 -7.337 -12.001 12.597 842 HH22 ARG 101 HH22 ARG 101 -7.711 -10.403 12.047 843 H GLU 102 H GLU 102 -2.913 -15.595 13.955 844 HA GLU 102 HA GLU 102 -4.638 -16.652 12.914 845 HB2 GLU 102 HB2 GLU 102 -5.830 -13.873 12.911 846 HB3 GLU 102 HB3 GLU 102 -6.714 -15.350 12.553 847 HG2 GLU 102 HG2 GLU 102 -5.647 -15.971 14.959 848 HG3 GLU 102 HG3 GLU 102 -5.864 -14.229 15.127 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.102 16.117 18.007 2 HA2 GLY 1 HA2 GLY 1 2.189 14.850 18.187 3 HA3 GLY 1 HA3 GLY 1 1.341 14.052 19.503 4 H ALA 2 H ALA 2 1.706 14.329 16.081 5 HA ALA 2 HA ALA 2 0.627 11.770 15.596 6 HB1 ALA 2 HB1 ALA 2 -1.553 12.290 15.604 7 HB2 ALA 2 HB2 ALA 2 -1.244 14.020 15.446 8 HB3 ALA 2 HB3 ALA 2 -1.224 12.986 14.017 9 H MET 3 H MET 3 2.049 11.162 14.103 10 HA MET 3 HA MET 3 2.135 12.442 11.551 11 HB2 MET 3 HB2 MET 3 4.008 13.316 13.510 12 HB3 MET 3 HB3 MET 3 4.886 12.392 12.299 13 HG2 MET 3 HG2 MET 3 3.655 13.840 10.583 14 HG3 MET 3 HG3 MET 3 3.269 14.886 11.947 15 HE1 MET 3 HE1 MET 3 7.100 14.721 9.593 16 HE2 MET 3 HE2 MET 3 6.072 13.299 9.770 17 HE3 MET 3 HE3 MET 3 5.422 14.774 9.051 18 H ALA 4 H ALA 4 1.721 10.505 10.600 19 HA ALA 4 HA ALA 4 3.733 8.383 10.982 20 HB1 ALA 4 HB1 ALA 4 0.768 8.236 10.701 21 HB2 ALA 4 HB2 ALA 4 1.759 6.906 10.099 22 HB3 ALA 4 HB3 ALA 4 1.841 7.368 11.799 23 H MET 5 H MET 5 4.165 7.042 9.102 24 HA MET 5 HA MET 5 3.245 7.626 6.517 25 HB2 MET 5 HB2 MET 5 5.104 9.522 7.480 26 HB3 MET 5 HB3 MET 5 5.966 8.524 6.316 27 HG2 MET 5 HG2 MET 5 4.996 9.567 4.628 28 HG3 MET 5 HG3 MET 5 3.395 9.206 5.270 29 HE1 MET 5 HE1 MET 5 5.884 12.988 5.867 30 HE2 MET 5 HE2 MET 5 6.184 11.709 7.045 31 HE3 MET 5 HE3 MET 5 6.437 11.403 5.326 32 H ALA 6 H ALA 6 6.407 6.920 8.019 33 HA ALA 6 HA ALA 6 6.298 4.167 7.246 34 HB1 ALA 6 HB1 ALA 6 6.994 5.657 5.167 35 HB2 ALA 6 HB2 ALA 6 8.578 5.542 5.936 36 HB3 ALA 6 HB3 ALA 6 7.716 4.076 5.468 37 H LYS 7 H LYS 7 7.570 2.979 8.546 38 HA LYS 7 HA LYS 7 9.692 4.366 10.046 39 HB2 LYS 7 HB2 LYS 7 7.333 3.412 11.129 40 HB3 LYS 7 HB3 LYS 7 8.474 2.113 11.452 41 HG2 LYS 7 HG2 LYS 7 9.173 4.945 12.107 42 HG3 LYS 7 HG3 LYS 7 8.170 3.985 13.197 43 HD2 LYS 7 HD2 LYS 7 9.984 2.235 13.137 44 HD3 LYS 7 HD3 LYS 7 10.988 3.416 12.293 45 HE2 LYS 7 HE2 LYS 7 11.430 4.535 14.177 46 HE3 LYS 7 HE3 LYS 7 9.745 4.497 14.693 47 HZ1 LYS 7 HZ1 LYS 7 10.639 3.192 16.290 48 HZ2 LYS 7 HZ2 LYS 7 11.923 2.663 15.325 49 HZ3 LYS 7 HZ3 LYS 7 10.386 1.983 15.133 50 H ALA 8 H ALA 8 8.462 1.078 9.395 51 HA ALA 8 HA ALA 8 9.614 -0.908 9.202 52 HB1 ALA 8 HB1 ALA 8 11.294 -0.733 7.257 53 HB2 ALA 8 HB2 ALA 8 9.597 -0.371 6.940 54 HB3 ALA 8 HB3 ALA 8 10.755 0.943 7.142 55 H ARG 9 H ARG 9 10.543 -0.707 11.383 56 HA ARG 9 HA ARG 9 13.474 -0.470 11.245 57 HB2 ARG 9 HB2 ARG 9 11.870 1.278 12.624 58 HB3 ARG 9 HB3 ARG 9 12.289 0.107 13.867 59 HG2 ARG 9 HG2 ARG 9 14.461 0.728 13.916 60 HG3 ARG 9 HG3 ARG 9 14.507 1.102 12.192 61 HD2 ARG 9 HD2 ARG 9 12.745 2.962 13.270 62 HD3 ARG 9 HD3 ARG 9 14.046 2.846 14.454 63 HE ARG 9 HE ARG 9 14.179 4.078 11.901 64 HH11 ARG 9 HH11 ARG 9 16.048 2.225 14.179 65 HH12 ARG 9 HH12 ARG 9 17.570 2.852 13.640 66 HH21 ARG 9 HH21 ARG 9 16.177 4.911 11.181 67 HH22 ARG 9 HH22 ARG 9 17.643 4.381 11.935 68 H LYS 10 H LYS 10 14.013 -1.263 13.857 69 HA LYS 10 HA LYS 10 13.992 -4.048 13.644 70 HB2 LYS 10 HB2 LYS 10 14.862 -2.067 15.585 71 HB3 LYS 10 HB3 LYS 10 14.250 -3.518 16.367 72 HG2 LYS 10 HG2 LYS 10 16.653 -3.644 16.013 73 HG3 LYS 10 HG3 LYS 10 15.804 -4.884 15.086 74 HD2 LYS 10 HD2 LYS 10 16.789 -4.146 13.236 75 HD3 LYS 10 HD3 LYS 10 15.984 -2.589 13.445 76 HE2 LYS 10 HE2 LYS 10 17.842 -1.893 14.939 77 HE3 LYS 10 HE3 LYS 10 18.659 -3.411 14.571 78 HZ1 LYS 10 HZ1 LYS 10 18.385 -1.024 12.960 79 HZ2 LYS 10 HZ2 LYS 10 18.147 -2.472 12.119 80 HZ3 LYS 10 HZ3 LYS 10 19.597 -2.205 12.950 81 HA PRO 11 HA PRO 11 10.020 -5.290 15.057 82 HB2 PRO 11 HB2 PRO 11 10.626 -7.722 16.099 83 HB3 PRO 11 HB3 PRO 11 10.586 -7.405 14.361 84 HG2 PRO 11 HG2 PRO 11 12.936 -7.526 16.210 85 HG3 PRO 11 HG3 PRO 11 12.761 -8.198 14.578 86 HD2 PRO 11 HD2 PRO 11 14.075 -5.881 15.068 87 HD3 PRO 11 HD3 PRO 11 13.177 -6.170 13.564 88 H ARG 12 H ARG 12 12.562 -6.169 17.409 89 HA ARG 12 HA ARG 12 10.972 -6.206 19.680 90 HB2 ARG 12 HB2 ARG 12 13.217 -7.070 19.744 91 HB3 ARG 12 HB3 ARG 12 13.888 -5.489 19.367 92 HG2 ARG 12 HG2 ARG 12 13.155 -4.635 21.513 93 HG3 ARG 12 HG3 ARG 12 12.398 -6.183 21.889 94 HD2 ARG 12 HD2 ARG 12 14.491 -6.142 23.012 95 HD3 ARG 12 HD3 ARG 12 14.662 -7.238 21.642 96 HE ARG 12 HE ARG 12 15.490 -4.730 20.789 97 HH11 ARG 12 HH11 ARG 12 16.447 -7.116 23.137 98 HH12 ARG 12 HH12 ARG 12 18.125 -6.688 23.081 99 HH21 ARG 12 HH21 ARG 12 17.696 -4.157 20.706 100 HH22 ARG 12 HH22 ARG 12 18.834 -5.004 21.699 101 H GLU 13 H GLU 13 12.827 -3.495 18.320 102 HA GLU 13 HA GLU 13 12.082 -1.619 20.297 103 HB2 GLU 13 HB2 GLU 13 12.981 -1.185 17.444 104 HB3 GLU 13 HB3 GLU 13 12.850 0.080 18.657 105 HG2 GLU 13 HG2 GLU 13 14.427 -1.644 19.973 106 HG3 GLU 13 HG3 GLU 13 14.891 -2.015 18.313 107 H ALA 14 H ALA 14 10.381 -2.966 17.666 108 HA ALA 14 HA ALA 14 8.612 -0.795 17.136 109 HB1 ALA 14 HB1 ALA 14 7.634 -2.155 15.596 110 HB2 ALA 14 HB2 ALA 14 9.171 -3.002 15.775 111 HB3 ALA 14 HB3 ALA 14 7.739 -3.584 16.625 112 H LEU 15 H LEU 15 8.467 -3.646 19.223 113 HA LEU 15 HA LEU 15 5.785 -3.277 20.059 114 HB2 LEU 15 HB2 LEU 15 7.074 -5.396 20.244 115 HB3 LEU 15 HB3 LEU 15 8.019 -4.660 21.536 116 HG LEU 15 HG LEU 15 6.119 -6.256 22.177 117 HD11 LEU 15 HD11 LEU 15 6.519 -5.352 24.158 118 HD12 LEU 15 HD12 LEU 15 5.438 -4.014 23.772 119 HD13 LEU 15 HD13 LEU 15 7.153 -3.903 23.378 120 HD21 LEU 15 HD21 LEU 15 4.531 -5.044 20.564 121 HD22 LEU 15 HD22 LEU 15 4.398 -3.824 21.831 122 HD23 LEU 15 HD23 LEU 15 3.916 -5.490 22.156 123 H LEU 16 H LEU 16 8.888 -2.172 21.314 124 HA LEU 16 HA LEU 16 7.876 -1.091 23.734 125 HB2 LEU 16 HB2 LEU 16 10.324 -0.115 22.295 126 HB3 LEU 16 HB3 LEU 16 10.003 -0.118 24.028 127 HG LEU 16 HG LEU 16 10.485 -2.581 22.353 128 HD11 LEU 16 HD11 LEU 16 12.353 -0.719 23.084 129 HD12 LEU 16 HD12 LEU 16 12.676 -2.421 22.752 130 HD13 LEU 16 HD13 LEU 16 12.429 -1.878 24.412 131 HD21 LEU 16 HD21 LEU 16 9.304 -3.414 24.117 132 HD22 LEU 16 HD22 LEU 16 9.773 -2.101 25.197 133 HD23 LEU 16 HD23 LEU 16 10.916 -3.394 24.834 134 H TRP 17 H TRP 17 8.619 0.337 20.572 135 HA TRP 17 HA TRP 17 7.827 2.972 21.332 136 HB2 TRP 17 HB2 TRP 17 9.201 1.870 19.198 137 HB3 TRP 17 HB3 TRP 17 7.684 2.394 18.471 138 HD1 TRP 17 HD1 TRP 17 7.042 5.108 19.279 139 HE1 TRP 17 HE1 TRP 17 8.646 7.119 19.184 140 HE3 TRP 17 HE3 TRP 17 11.494 2.595 19.213 141 HZ2 TRP 17 HZ2 TRP 17 11.429 7.579 19.092 142 HZ3 TRP 17 HZ3 TRP 17 13.581 3.895 19.120 143 HH2 TRP 17 HH2 TRP 17 13.547 6.335 19.061 144 H ALA 18 H ALA 18 6.212 0.211 19.914 145 HA ALA 18 HA ALA 18 3.866 1.624 19.099 146 HB1 ALA 18 HB1 ALA 18 2.906 -0.567 18.710 147 HB2 ALA 18 HB2 ALA 18 4.551 -0.504 18.077 148 HB3 ALA 18 HB3 ALA 18 4.224 -1.328 19.602 149 H LEU 19 H LEU 19 4.443 -0.703 21.747 150 HA LEU 19 HA LEU 19 2.003 -0.478 23.019 151 HB2 LEU 19 HB2 LEU 19 2.981 -1.494 24.871 152 HB3 LEU 19 HB3 LEU 19 3.950 -2.050 23.507 153 HG LEU 19 HG LEU 19 5.530 -0.092 24.168 154 HD11 LEU 19 HD11 LEU 19 3.720 -0.331 26.524 155 HD12 LEU 19 HD12 LEU 19 4.444 1.104 25.798 156 HD13 LEU 19 HD13 LEU 19 5.430 0.019 26.779 157 HD21 LEU 19 HD21 LEU 19 6.502 -1.650 26.001 158 HD22 LEU 19 HD22 LEU 19 6.418 -2.221 24.334 159 HD23 LEU 19 HD23 LEU 19 5.211 -2.746 25.509 160 H SER 20 H SER 20 4.668 1.743 22.980 161 HA SER 20 HA SER 20 3.647 3.299 25.206 162 HB2 SER 20 HB2 SER 20 6.086 3.066 24.860 163 HB3 SER 20 HB3 SER 20 5.934 3.894 23.311 164 HG SER 20 HG SER 20 6.135 4.944 25.775 165 H ASP 21 H ASP 21 3.318 3.174 21.798 166 HA ASP 21 HA ASP 21 2.690 5.894 21.301 167 HB2 ASP 21 HB2 ASP 21 2.904 3.508 19.787 168 HB3 ASP 21 HB3 ASP 21 1.295 4.162 19.490 169 H LEU 22 H LEU 22 0.859 3.178 22.484 170 HA LEU 22 HA LEU 22 -1.666 4.613 22.219 171 HB2 LEU 22 HB2 LEU 22 -2.443 2.424 23.449 172 HB3 LEU 22 HB3 LEU 22 -2.097 2.435 21.720 173 HG LEU 22 HG LEU 22 0.181 1.735 23.448 174 HD11 LEU 22 HD11 LEU 22 -1.939 -0.343 23.058 175 HD12 LEU 22 HD12 LEU 22 -1.919 0.678 24.495 176 HD13 LEU 22 HD13 LEU 22 -0.542 -0.364 24.134 177 HD21 LEU 22 HD21 LEU 22 0.011 1.695 20.899 178 HD22 LEU 22 HD22 LEU 22 -0.959 0.237 21.110 179 HD23 LEU 22 HD23 LEU 22 0.706 0.280 21.691 180 H GLU 23 H GLU 23 -3.100 4.836 24.078 181 HA GLU 23 HA GLU 23 -1.728 5.965 26.314 182 HB2 GLU 23 HB2 GLU 23 -4.647 5.498 25.718 183 HB3 GLU 23 HB3 GLU 23 -4.092 6.232 27.216 184 HG2 GLU 23 HG2 GLU 23 -3.243 8.118 26.104 185 HG3 GLU 23 HG3 GLU 23 -3.347 7.334 24.529 186 H GLU 24 H GLU 24 -1.950 5.343 28.528 187 HA GLU 24 HA GLU 24 -1.472 2.626 29.011 188 HB2 GLU 24 HB2 GLU 24 -0.725 4.510 30.467 189 HB3 GLU 24 HB3 GLU 24 -2.385 4.694 31.017 190 HG2 GLU 24 HG2 GLU 24 -0.863 2.124 31.305 191 HG3 GLU 24 HG3 GLU 24 -0.827 3.398 32.522 192 H ASN 25 H ASN 25 -4.413 4.535 29.165 193 HA ASN 25 HA ASN 25 -5.981 2.519 30.448 194 HB2 ASN 25 HB2 ASN 25 -6.322 5.185 30.021 195 HB3 ASN 25 HB3 ASN 25 -7.386 4.514 28.788 196 HD21 ASN 25 HD21 ASN 25 -8.589 5.941 30.628 197 HD22 ASN 25 HD22 ASN 25 -9.430 4.954 31.770 198 H ASP 26 H ASP 26 -4.559 2.431 27.556 199 HA ASP 26 HA ASP 26 -6.805 1.063 26.231 200 HB2 ASP 26 HB2 ASP 26 -4.321 2.324 25.052 201 HB3 ASP 26 HB3 ASP 26 -5.498 1.396 24.126 202 H PHE 27 H PHE 27 -3.249 0.882 26.469 203 HA PHE 27 HA PHE 27 -3.003 -1.746 25.548 204 HB2 PHE 27 HB2 PHE 27 -0.809 -1.363 25.829 205 HB3 PHE 27 HB3 PHE 27 -1.264 0.243 26.388 206 HD1 PHE 27 HD1 PHE 27 -1.493 0.676 28.823 207 HD2 PHE 27 HD2 PHE 27 0.088 -2.972 27.304 208 HE1 PHE 27 HE1 PHE 27 -0.511 0.189 31.026 209 HE2 PHE 27 HE2 PHE 27 1.072 -3.465 29.505 210 HZ PHE 27 HZ PHE 27 0.773 -1.884 31.369 211 H LYS 28 H LYS 28 -3.649 -0.471 28.753 212 HA LYS 28 HA LYS 28 -3.269 -2.905 30.163 213 HB2 LYS 28 HB2 LYS 28 -3.193 -0.853 31.391 214 HB3 LYS 28 HB3 LYS 28 -4.792 -0.385 30.827 215 HG2 LYS 28 HG2 LYS 28 -5.802 -2.164 32.122 216 HG3 LYS 28 HG3 LYS 28 -4.208 -2.721 32.637 217 HD2 LYS 28 HD2 LYS 28 -3.835 -0.767 33.917 218 HD3 LYS 28 HD3 LYS 28 -5.205 0.067 33.178 219 HE2 LYS 28 HE2 LYS 28 -6.762 -1.366 34.294 220 HE3 LYS 28 HE3 LYS 28 -5.466 -2.412 34.871 221 HZ1 LYS 28 HZ1 LYS 28 -5.979 0.394 35.692 222 HZ2 LYS 28 HZ2 LYS 28 -4.624 -0.502 36.163 223 HZ3 LYS 28 HZ3 LYS 28 -6.171 -0.992 36.643 224 H LYS 29 H LYS 29 -6.098 -1.333 28.737 225 HA LYS 29 HA LYS 29 -8.070 -3.057 29.699 226 HB2 LYS 29 HB2 LYS 29 -7.857 -0.992 27.700 227 HB3 LYS 29 HB3 LYS 29 -8.830 -2.324 27.088 228 HG2 LYS 29 HG2 LYS 29 -10.187 -0.603 28.177 229 HG3 LYS 29 HG3 LYS 29 -10.310 -2.163 28.994 230 HD2 LYS 29 HD2 LYS 29 -9.185 -1.434 30.848 231 HD3 LYS 29 HD3 LYS 29 -8.246 -0.244 29.944 232 HE2 LYS 29 HE2 LYS 29 -11.181 -0.026 30.609 233 HE3 LYS 29 HE3 LYS 29 -9.877 0.806 31.455 234 HZ1 LYS 29 HZ1 LYS 29 -9.538 1.379 28.776 235 HZ2 LYS 29 HZ2 LYS 29 -10.093 2.428 29.981 236 HZ3 LYS 29 HZ3 LYS 29 -11.198 1.539 29.059 237 H LEU 30 H LEU 30 -6.070 -3.275 26.782 238 HA LEU 30 HA LEU 30 -7.289 -5.641 25.793 239 HB2 LEU 30 HB2 LEU 30 -4.474 -5.173 25.094 240 HB3 LEU 30 HB3 LEU 30 -5.872 -5.443 24.055 241 HG LEU 30 HG LEU 30 -5.030 -2.835 25.316 242 HD11 LEU 30 HD11 LEU 30 -3.967 -2.405 23.416 243 HD12 LEU 30 HD12 LEU 30 -5.376 -2.862 22.459 244 HD13 LEU 30 HD13 LEU 30 -4.215 -4.091 22.960 245 HD21 LEU 30 HD21 LEU 30 -7.256 -2.452 25.293 246 HD22 LEU 30 HD22 LEU 30 -7.576 -3.724 24.114 247 HD23 LEU 30 HD23 LEU 30 -6.962 -2.158 23.579 248 H LYS 31 H LYS 31 -4.165 -5.100 27.426 249 HA LYS 31 HA LYS 31 -3.401 -7.769 27.641 250 HB2 LYS 31 HB2 LYS 31 -2.686 -5.242 29.011 251 HB3 LYS 31 HB3 LYS 31 -2.281 -6.726 29.865 252 HG2 LYS 31 HG2 LYS 31 -0.450 -5.831 28.450 253 HG3 LYS 31 HG3 LYS 31 -0.925 -7.484 28.052 254 HD2 LYS 31 HD2 LYS 31 -1.629 -6.910 25.996 255 HD3 LYS 31 HD3 LYS 31 -2.383 -5.419 26.566 256 HE2 LYS 31 HE2 LYS 31 0.292 -4.890 26.861 257 HE3 LYS 31 HE3 LYS 31 0.257 -5.866 25.393 258 HZ1 LYS 31 HZ1 LYS 31 -1.185 -4.347 24.353 259 HZ2 LYS 31 HZ2 LYS 31 0.010 -3.400 25.084 260 HZ3 LYS 31 HZ3 LYS 31 -1.518 -3.530 25.797 261 H PHE 32 H PHE 32 -5.429 -5.801 29.751 262 HA PHE 32 HA PHE 32 -5.638 -7.486 31.940 263 HB2 PHE 32 HB2 PHE 32 -6.580 -5.296 32.074 264 HB3 PHE 32 HB3 PHE 32 -7.649 -5.603 30.709 265 HD1 PHE 32 HD1 PHE 32 -7.026 -6.322 34.259 266 HD2 PHE 32 HD2 PHE 32 -9.725 -6.737 30.993 267 HE1 PHE 32 HE1 PHE 32 -8.793 -7.038 35.814 268 HE2 PHE 32 HE2 PHE 32 -11.496 -7.453 32.543 269 HZ PHE 32 HZ PHE 32 -11.032 -7.603 34.957 270 H TYR 33 H TYR 33 -7.501 -7.501 28.928 271 HA TYR 33 HA TYR 33 -8.885 -9.933 29.772 272 HB2 TYR 33 HB2 TYR 33 -9.803 -7.762 28.423 273 HB3 TYR 33 HB3 TYR 33 -9.412 -8.833 27.082 274 HD1 TYR 33 HD2 TYR 33 -10.981 -9.249 30.457 275 HD2 TYR 33 HD1 TYR 33 -11.238 -9.969 26.271 276 HE1 TYR 33 HE2 TYR 33 -13.103 -10.444 30.799 277 HE2 TYR 33 HE1 TYR 33 -13.362 -11.164 26.601 278 HH TYR 33 HH TYR 33 -15.085 -11.474 28.115 279 H LEU 34 H LEU 34 -7.107 -8.783 26.900 280 HA LEU 34 HA LEU 34 -6.861 -11.207 25.589 281 HB2 LEU 34 HB2 LEU 34 -5.921 -8.627 25.234 282 HB3 LEU 34 HB3 LEU 34 -4.455 -9.595 25.375 283 HG LEU 34 HG LEU 34 -5.207 -9.227 23.037 284 HD11 LEU 34 HD11 LEU 34 -4.161 -11.124 22.559 285 HD12 LEU 34 HD12 LEU 34 -5.534 -12.081 23.115 286 HD13 LEU 34 HD13 LEU 34 -4.294 -11.571 24.260 287 HD21 LEU 34 HD21 LEU 34 -7.318 -11.236 23.184 288 HD22 LEU 34 HD22 LEU 34 -7.266 -9.705 22.311 289 HD23 LEU 34 HD23 LEU 34 -7.716 -9.733 24.017 290 H ARG 35 H ARG 35 -4.441 -9.704 27.738 291 HA ARG 35 HA ARG 35 -2.697 -11.906 27.784 292 HB2 ARG 35 HB2 ARG 35 -2.552 -9.364 28.695 293 HB3 ARG 35 HB3 ARG 35 -2.821 -10.217 30.209 294 HG2 ARG 35 HG2 ARG 35 -0.806 -11.512 28.583 295 HG3 ARG 35 HG3 ARG 35 -0.401 -9.832 28.939 296 HD2 ARG 35 HD2 ARG 35 -1.130 -11.956 30.953 297 HD3 ARG 35 HD3 ARG 35 0.489 -11.328 30.645 298 HE ARG 35 HE ARG 35 -0.615 -9.098 31.337 299 HH11 ARG 35 HH11 ARG 35 -1.343 -12.235 32.660 300 HH12 ARG 35 HH12 ARG 35 -1.811 -11.617 34.210 301 HH21 ARG 35 HH21 ARG 35 -1.229 -8.272 33.373 302 HH22 ARG 35 HH22 ARG 35 -1.746 -9.363 34.614 303 H ASP 36 H ASP 36 -5.439 -11.032 29.818 304 HA ASP 36 HA ASP 36 -5.180 -12.734 31.940 305 HB2 ASP 36 HB2 ASP 36 -7.332 -11.329 30.665 306 HB3 ASP 36 HB3 ASP 36 -7.891 -12.927 31.149 307 H MET 37 H MET 37 -6.580 -13.537 28.770 308 HA MET 37 HA MET 37 -6.738 -16.345 29.500 309 HB2 MET 37 HB2 MET 37 -8.212 -14.712 27.806 310 HB3 MET 37 HB3 MET 37 -7.277 -15.719 26.708 311 HG2 MET 37 HG2 MET 37 -8.176 -17.713 27.650 312 HG3 MET 37 HG3 MET 37 -8.942 -16.813 28.957 313 HE1 MET 37 HE1 MET 37 -11.726 -16.920 28.671 314 HE2 MET 37 HE2 MET 37 -12.127 -17.886 27.250 315 HE3 MET 37 HE3 MET 37 -10.827 -18.398 28.327 316 H THR 38 H THR 38 -5.408 -14.622 26.671 317 HA THR 38 HA THR 38 -3.867 -16.581 25.589 318 HB THR 38 HB THR 38 -2.371 -14.853 24.706 319 HG1 THR 38 HG1 THR 38 -3.532 -13.346 26.789 320 HG21 THR 38 HG21 THR 38 -4.815 -15.173 23.932 321 HG22 THR 38 HG22 THR 38 -3.955 -13.721 23.418 322 HG23 THR 38 HG23 THR 38 -5.113 -13.637 24.744 323 H LEU 39 H LEU 39 -2.932 -14.444 28.264 324 HA LEU 39 HA LEU 39 -0.635 -16.216 28.774 325 HB2 LEU 39 HB2 LEU 39 -1.035 -13.283 29.274 326 HB3 LEU 39 HB3 LEU 39 0.222 -14.204 30.096 327 HG LEU 39 HG LEU 39 1.106 -14.805 27.805 328 HD11 LEU 39 HD11 LEU 39 -0.943 -12.747 27.034 329 HD12 LEU 39 HD12 LEU 39 -0.720 -14.371 26.385 330 HD13 LEU 39 HD13 LEU 39 0.463 -13.112 26.033 331 HD21 LEU 39 HD21 LEU 39 1.383 -11.926 27.795 332 HD22 LEU 39 HD22 LEU 39 2.582 -13.174 28.137 333 HD23 LEU 39 HD23 LEU 39 1.526 -12.589 29.424 334 H SER 40 H SER 40 0.015 -16.287 31.124 335 HA SER 40 HA SER 40 -1.749 -15.672 33.205 336 HB2 SER 40 HB2 SER 40 -3.177 -17.363 32.011 337 HB3 SER 40 HB3 SER 40 -1.943 -18.572 32.365 338 HG SER 40 HG SER 40 -2.283 -17.770 34.650 339 H GLU 41 H GLU 41 -0.549 -15.684 34.986 340 HA GLU 41 HA GLU 41 1.113 -17.807 35.799 341 HB2 GLU 41 HB2 GLU 41 2.484 -16.868 33.902 342 HB3 GLU 41 HB3 GLU 41 2.645 -15.389 34.838 343 HG2 GLU 41 HG2 GLU 41 4.612 -16.722 35.125 344 HG3 GLU 41 HG3 GLU 41 3.715 -16.686 36.642 345 H GLY 42 H GLY 42 0.371 -14.374 35.963 346 HA2 GLY 42 HA2 GLY 42 -0.531 -13.748 38.230 347 HA3 GLY 42 HA3 GLY 42 0.951 -14.452 38.860 348 H GLN 43 H GLN 43 0.705 -12.483 35.952 349 HA GLN 43 HA GLN 43 2.877 -10.877 36.475 350 HB2 GLN 43 HB2 GLN 43 0.410 -10.458 34.819 351 HB3 GLN 43 HB3 GLN 43 1.612 -9.182 34.958 352 HG2 GLN 43 HG2 GLN 43 1.781 -10.745 32.962 353 HG3 GLN 43 HG3 GLN 43 3.252 -10.443 33.886 354 HE21 GLN 43 HE21 GLN 43 0.513 -12.693 33.768 355 HE22 GLN 43 HE22 GLN 43 1.439 -14.108 34.120 356 HA PRO 44 HA PRO 44 1.788 -7.898 39.502 357 HB2 PRO 44 HB2 PRO 44 2.890 -5.618 38.523 358 HB3 PRO 44 HB3 PRO 44 3.854 -6.946 39.181 359 HG2 PRO 44 HG2 PRO 44 3.248 -6.279 36.327 360 HG3 PRO 44 HG3 PRO 44 4.783 -6.785 37.056 361 HD2 PRO 44 HD2 PRO 44 3.184 -8.494 35.695 362 HD3 PRO 44 HD3 PRO 44 4.191 -9.012 37.062 363 HA PRO 45 HA PRO 45 -1.858 -5.664 38.476 364 HB2 PRO 45 HB2 PRO 45 -1.731 -3.554 40.179 365 HB3 PRO 45 HB3 PRO 45 -2.084 -5.201 40.715 366 HG2 PRO 45 HG2 PRO 45 0.502 -3.695 40.798 367 HG3 PRO 45 HG3 PRO 45 -0.228 -4.733 42.036 368 HD2 PRO 45 HD2 PRO 45 1.757 -5.587 40.404 369 HD3 PRO 45 HD3 PRO 45 0.490 -6.670 41.014 370 H LEU 46 H LEU 46 -2.519 -4.190 37.009 371 HA LEU 46 HA LEU 46 -0.508 -2.466 35.815 372 HB2 LEU 46 HB2 LEU 46 -3.357 -2.630 34.919 373 HB3 LEU 46 HB3 LEU 46 -1.911 -2.291 33.970 374 HG LEU 46 HG LEU 46 -1.510 -4.876 34.869 375 HD11 LEU 46 HD11 LEU 46 -4.262 -4.918 33.746 376 HD12 LEU 46 HD12 LEU 46 -4.060 -4.604 35.469 377 HD13 LEU 46 HD13 LEU 46 -3.437 -6.097 34.766 378 HD21 LEU 46 HD21 LEU 46 -2.761 -4.080 32.247 379 HD22 LEU 46 HD22 LEU 46 -1.734 -5.477 32.572 380 HD23 LEU 46 HD23 LEU 46 -1.055 -3.849 32.632 381 H ALA 47 H ALA 47 -0.877 -0.217 35.396 382 HA ALA 47 HA ALA 47 -3.008 1.160 36.761 383 HB1 ALA 47 HB1 ALA 47 -1.513 0.783 38.632 384 HB2 ALA 47 HB2 ALA 47 -0.174 1.497 37.733 385 HB3 ALA 47 HB3 ALA 47 -1.545 2.496 38.213 386 H ARG 48 H ARG 48 -2.592 3.628 36.615 387 HA ARG 48 HA ARG 48 -2.258 4.276 33.892 388 HB2 ARG 48 HB2 ARG 48 -3.692 5.576 35.396 389 HB3 ARG 48 HB3 ARG 48 -2.281 6.093 36.309 390 HG2 ARG 48 HG2 ARG 48 -1.491 7.421 34.528 391 HG3 ARG 48 HG3 ARG 48 -2.617 6.686 33.385 392 HD2 ARG 48 HD2 ARG 48 -4.136 8.235 33.855 393 HD3 ARG 48 HD3 ARG 48 -4.103 7.774 35.557 394 HE ARG 48 HE ARG 48 -1.888 9.403 35.031 395 HH11 ARG 48 HH11 ARG 48 -5.360 9.604 35.188 396 HH12 ARG 48 HH12 ARG 48 -5.373 11.275 35.648 397 HH21 ARG 48 HH21 ARG 48 -1.892 11.602 35.636 398 HH22 ARG 48 HH22 ARG 48 -3.399 12.410 35.901 399 H GLY 49 H GLY 49 -0.113 4.510 36.678 400 HA2 GLY 49 HA2 GLY 49 1.933 5.924 35.212 401 HA3 GLY 49 HA3 GLY 49 2.067 5.287 36.845 402 H GLU 50 H GLU 50 0.933 2.749 35.215 403 HA GLU 50 HA GLU 50 3.387 1.355 35.230 404 HB2 GLU 50 HB2 GLU 50 0.839 0.556 35.271 405 HB3 GLU 50 HB3 GLU 50 1.146 0.351 33.552 406 HG2 GLU 50 HG2 GLU 50 3.269 -0.759 35.182 407 HG3 GLU 50 HG3 GLU 50 1.697 -1.465 35.553 408 H LEU 51 H LEU 51 1.449 2.729 32.600 409 HA LEU 51 HA LEU 51 3.526 2.033 30.670 410 HB2 LEU 51 HB2 LEU 51 1.310 1.567 29.941 411 HB3 LEU 51 HB3 LEU 51 0.759 3.181 30.388 412 HG LEU 51 HG LEU 51 2.874 2.988 28.314 413 HD11 LEU 51 HD11 LEU 51 0.847 2.805 26.667 414 HD12 LEU 51 HD12 LEU 51 0.101 1.940 28.010 415 HD13 LEU 51 HD13 LEU 51 1.612 1.354 27.316 416 HD21 LEU 51 HD21 LEU 51 1.110 4.935 29.359 417 HD22 LEU 51 HD22 LEU 51 0.650 4.653 27.681 418 HD23 LEU 51 HD23 LEU 51 2.305 5.118 28.075 419 H GLU 52 H GLU 52 1.840 4.896 31.920 420 HA GLU 52 HA GLU 52 3.415 6.745 30.420 421 HB2 GLU 52 HB2 GLU 52 1.156 7.302 31.200 422 HB3 GLU 52 HB3 GLU 52 1.698 7.187 32.868 423 HG2 GLU 52 HG2 GLU 52 1.627 9.479 32.360 424 HG3 GLU 52 HG3 GLU 52 3.331 9.029 32.344 425 H GLY 53 H GLY 53 3.325 5.916 33.891 426 HA2 GLY 53 HA2 GLY 53 5.545 7.473 34.631 427 HA3 GLY 53 HA3 GLY 53 4.923 6.096 35.528 428 H LEU 54 H LEU 54 5.412 3.937 34.160 429 HA LEU 54 HA LEU 54 8.266 3.708 34.224 430 HB2 LEU 54 HB2 LEU 54 6.499 1.579 33.110 431 HB3 LEU 54 HB3 LEU 54 7.957 1.426 34.087 432 HG LEU 54 HG LEU 54 5.196 2.176 35.035 433 HD11 LEU 54 HD11 LEU 54 5.398 -0.173 34.699 434 HD12 LEU 54 HD12 LEU 54 5.526 0.129 36.432 435 HD13 LEU 54 HD13 LEU 54 6.976 -0.210 35.487 436 HD21 LEU 54 HD21 LEU 54 6.209 3.325 36.653 437 HD22 LEU 54 HD22 LEU 54 7.804 2.749 36.171 438 HD23 LEU 54 HD23 LEU 54 6.802 1.775 37.248 439 H ILE 55 H ILE 55 8.879 1.934 32.231 440 HA ILE 55 HA ILE 55 8.425 3.495 29.771 441 HB ILE 55 HB ILE 55 10.710 2.729 29.055 442 HG12 ILE 55 HG12 ILE 55 10.820 1.888 31.953 443 HG13 ILE 55 HG13 ILE 55 11.101 0.889 30.532 444 HG21 ILE 55 HG21 ILE 55 10.106 4.993 30.051 445 HG22 ILE 55 HG22 ILE 55 10.838 4.405 31.543 446 HG23 ILE 55 HG23 ILE 55 11.809 4.536 30.077 447 HD11 ILE 55 HD11 ILE 55 12.910 2.704 31.957 448 HD12 ILE 55 HD12 ILE 55 13.254 1.240 31.035 449 HD13 ILE 55 HD13 ILE 55 13.003 2.771 30.197 450 HA PRO 56 HA PRO 56 7.159 -0.172 27.722 451 HB2 PRO 56 HB2 PRO 56 8.229 0.154 25.248 452 HB3 PRO 56 HB3 PRO 56 6.859 1.104 25.835 453 HG2 PRO 56 HG2 PRO 56 9.758 1.838 25.711 454 HG3 PRO 56 HG3 PRO 56 8.338 2.816 25.297 455 HD2 PRO 56 HD2 PRO 56 9.653 3.079 27.650 456 HD3 PRO 56 HD3 PRO 56 7.904 3.344 27.498 457 H VAL 57 H VAL 57 10.595 0.614 27.314 458 HA VAL 57 HA VAL 57 11.430 -1.950 26.487 459 HB VAL 57 HB VAL 57 13.032 0.161 27.938 460 HG11 VAL 57 HG11 VAL 57 14.814 -1.124 26.395 461 HG12 VAL 57 HG12 VAL 57 14.483 -1.570 28.071 462 HG13 VAL 57 HG13 VAL 57 13.714 -2.456 26.753 463 HG21 VAL 57 HG21 VAL 57 12.800 1.359 26.077 464 HG22 VAL 57 HG22 VAL 57 13.727 0.114 25.240 465 HG23 VAL 57 HG23 VAL 57 11.966 0.038 25.259 466 H ASP 58 H ASP 58 10.464 -0.748 29.533 467 HA ASP 58 HA ASP 58 11.861 -2.847 31.007 468 HB2 ASP 58 HB2 ASP 58 10.316 -0.400 31.798 469 HB3 ASP 58 HB3 ASP 58 10.585 -1.688 32.969 470 H LEU 59 H LEU 59 8.513 -1.623 30.821 471 HA LEU 59 HA LEU 59 7.293 -3.797 32.062 472 HB2 LEU 59 HB2 LEU 59 5.521 -2.498 31.796 473 HB3 LEU 59 HB3 LEU 59 6.483 -1.430 30.777 474 HG LEU 59 HG LEU 59 5.093 -3.824 29.624 475 HD11 LEU 59 HD11 LEU 59 3.331 -2.668 30.739 476 HD12 LEU 59 HD12 LEU 59 3.238 -2.263 29.025 477 HD13 LEU 59 HD13 LEU 59 3.919 -1.106 30.168 478 HD21 LEU 59 HD21 LEU 59 5.239 -1.394 28.059 479 HD22 LEU 59 HD22 LEU 59 5.807 -3.020 27.675 480 HD23 LEU 59 HD23 LEU 59 6.833 -1.922 28.600 481 H ALA 60 H ALA 60 8.210 -3.308 28.703 482 HA ALA 60 HA ALA 60 6.838 -5.484 27.576 483 HB1 ALA 60 HB1 ALA 60 7.824 -3.702 26.232 484 HB2 ALA 60 HB2 ALA 60 9.440 -4.241 26.691 485 HB3 ALA 60 HB3 ALA 60 8.407 -5.285 25.715 486 H GLU 61 H GLU 61 10.088 -5.244 28.976 487 HA GLU 61 HA GLU 61 11.023 -7.784 28.355 488 HB2 GLU 61 HB2 GLU 61 11.698 -5.684 30.274 489 HB3 GLU 61 HB3 GLU 61 12.079 -7.298 30.859 490 HG2 GLU 61 HG2 GLU 61 13.200 -7.603 28.546 491 HG3 GLU 61 HG3 GLU 61 13.169 -5.841 28.493 492 H LEU 62 H LEU 62 8.821 -6.742 30.867 493 HA LEU 62 HA LEU 62 8.870 -9.193 32.333 494 HB2 LEU 62 HB2 LEU 62 8.227 -7.109 33.394 495 HB3 LEU 62 HB3 LEU 62 6.862 -6.944 32.292 496 HG LEU 62 HG LEU 62 6.413 -7.736 34.693 497 HD11 LEU 62 HD11 LEU 62 4.495 -8.818 33.996 498 HD12 LEU 62 HD12 LEU 62 5.303 -9.601 32.639 499 HD13 LEU 62 HD13 LEU 62 4.933 -7.878 32.569 500 HD21 LEU 62 HD21 LEU 62 6.630 -10.124 35.070 501 HD22 LEU 62 HD22 LEU 62 8.212 -9.405 34.766 502 HD23 LEU 62 HD23 LEU 62 7.400 -10.322 33.496 503 H LEU 63 H LEU 63 6.657 -7.774 29.948 504 HA LEU 63 HA LEU 63 4.764 -9.850 29.960 505 HB2 LEU 63 HB2 LEU 63 5.150 -7.429 28.605 506 HB3 LEU 63 HB3 LEU 63 5.044 -8.664 27.351 507 HG LEU 63 HG LEU 63 2.873 -7.659 27.757 508 HD11 LEU 63 HD11 LEU 63 2.657 -10.364 28.996 509 HD12 LEU 63 HD12 LEU 63 3.269 -10.205 27.350 510 HD13 LEU 63 HD13 LEU 63 1.658 -9.611 27.753 511 HD21 LEU 63 HD21 LEU 63 3.189 -8.659 30.586 512 HD22 LEU 63 HD22 LEU 63 1.740 -7.921 29.904 513 HD23 LEU 63 HD23 LEU 63 3.217 -6.971 30.075 514 H ILE 64 H ILE 64 7.583 -9.287 27.871 515 HA ILE 64 HA ILE 64 7.238 -11.580 26.266 516 HB ILE 64 HB ILE 64 9.483 -11.236 25.495 517 HG12 ILE 64 HG12 ILE 64 9.819 -9.366 27.851 518 HG13 ILE 64 HG13 ILE 64 10.562 -10.954 27.689 519 HG21 ILE 64 HG21 ILE 64 8.968 -8.407 25.835 520 HG22 ILE 64 HG22 ILE 64 8.911 -9.397 24.378 521 HG23 ILE 64 HG23 ILE 64 7.502 -9.301 25.434 522 HD11 ILE 64 HD11 ILE 64 12.287 -9.620 27.039 523 HD12 ILE 64 HD12 ILE 64 11.520 -9.908 25.477 524 HD13 ILE 64 HD13 ILE 64 11.227 -8.397 26.339 525 H SER 65 H SER 65 8.737 -11.071 29.378 526 HA SER 65 HA SER 65 10.112 -13.587 29.430 527 HB2 SER 65 HB2 SER 65 10.832 -11.584 30.747 528 HB3 SER 65 HB3 SER 65 9.404 -11.791 31.761 529 HG SER 65 HG SER 65 10.366 -14.084 31.914 530 H LYS 66 H LYS 66 6.930 -12.484 30.185 531 HA LYS 66 HA LYS 66 6.156 -14.481 32.017 532 HB2 LYS 66 HB2 LYS 66 4.658 -12.727 31.956 533 HB3 LYS 66 HB3 LYS 66 4.722 -12.593 30.204 534 HG2 LYS 66 HG2 LYS 66 2.550 -13.401 31.045 535 HG3 LYS 66 HG3 LYS 66 3.337 -14.539 29.949 536 HD2 LYS 66 HD2 LYS 66 4.276 -15.287 32.434 537 HD3 LYS 66 HD3 LYS 66 2.595 -14.848 32.747 538 HE2 LYS 66 HE2 LYS 66 1.817 -16.651 31.675 539 HE3 LYS 66 HE3 LYS 66 2.930 -16.433 30.325 540 HZ1 LYS 66 HZ1 LYS 66 4.476 -17.783 31.258 541 HZ2 LYS 66 HZ2 LYS 66 3.098 -18.486 31.940 542 HZ3 LYS 66 HZ3 LYS 66 4.035 -17.410 32.848 543 H TYR 67 H TYR 67 5.273 -14.238 28.566 544 HA TYR 67 HA TYR 67 5.110 -17.178 28.507 545 HB2 TYR 67 HB2 TYR 67 3.110 -15.454 27.928 546 HB3 TYR 67 HB3 TYR 67 3.839 -15.619 26.334 547 HD1 TYR 67 HD2 TYR 67 4.406 -18.185 25.722 548 HD2 TYR 67 HD1 TYR 67 1.390 -16.897 28.433 549 HE1 TYR 67 HE2 TYR 67 3.210 -20.308 25.391 550 HE2 TYR 67 HE1 TYR 67 0.186 -19.017 28.110 551 HH TYR 67 HH TYR 67 1.571 -21.650 26.248 552 H GLY 68 H GLY 68 6.203 -14.317 26.743 553 HA2 GLY 68 HA2 GLY 68 8.585 -15.086 25.837 554 HA3 GLY 68 HA3 GLY 68 7.530 -15.964 24.739 555 H GLU 69 H GLU 69 9.475 -13.767 24.268 556 HA GLU 69 HA GLU 69 8.249 -11.327 23.767 557 HB2 GLU 69 HB2 GLU 69 10.032 -11.100 21.951 558 HB3 GLU 69 HB3 GLU 69 10.594 -11.385 23.593 559 HG2 GLU 69 HG2 GLU 69 11.344 -13.483 23.126 560 HG3 GLU 69 HG3 GLU 69 10.168 -13.738 21.838 561 H LYS 70 H LYS 70 7.983 -14.330 22.080 562 HA LYS 70 HA LYS 70 7.136 -13.394 19.564 563 HB2 LYS 70 HB2 LYS 70 7.119 -15.945 21.022 564 HB3 LYS 70 HB3 LYS 70 5.811 -15.775 19.859 565 HG2 LYS 70 HG2 LYS 70 7.620 -16.843 18.756 566 HG3 LYS 70 HG3 LYS 70 7.525 -15.192 18.137 567 HD2 LYS 70 HD2 LYS 70 9.289 -15.653 20.472 568 HD3 LYS 70 HD3 LYS 70 9.819 -16.317 18.925 569 HE2 LYS 70 HE2 LYS 70 8.857 -13.656 18.528 570 HE3 LYS 70 HE3 LYS 70 10.021 -13.655 19.852 571 HZ1 LYS 70 HZ1 LYS 70 11.340 -13.380 17.998 572 HZ2 LYS 70 HZ2 LYS 70 10.422 -14.426 17.037 573 HZ3 LYS 70 HZ3 LYS 70 11.435 -15.052 18.239 574 H GLU 71 H GLU 71 4.910 -15.197 21.625 575 HA GLU 71 HA GLU 71 2.585 -14.099 20.653 576 HB2 GLU 71 HB2 GLU 71 2.616 -16.079 22.078 577 HB3 GLU 71 HB3 GLU 71 3.121 -15.106 23.452 578 HG2 GLU 71 HG2 GLU 71 1.045 -14.123 23.692 579 HG3 GLU 71 HG3 GLU 71 0.573 -14.476 22.031 580 H ALA 72 H ALA 72 4.823 -12.747 22.930 581 HA ALA 72 HA ALA 72 3.326 -10.914 24.320 582 HB1 ALA 72 HB1 ALA 72 6.116 -11.172 23.542 583 HB2 ALA 72 HB2 ALA 72 5.610 -9.492 23.726 584 HB3 ALA 72 HB3 ALA 72 5.409 -10.625 25.063 585 H VAL 73 H VAL 73 5.068 -10.147 21.297 586 HA VAL 73 HA VAL 73 3.879 -7.661 20.872 587 HB VAL 73 HB VAL 73 5.284 -9.611 19.108 588 HG11 VAL 73 HG11 VAL 73 3.687 -7.251 18.141 589 HG12 VAL 73 HG12 VAL 73 5.008 -7.966 17.214 590 HG13 VAL 73 HG13 VAL 73 3.583 -8.929 17.607 591 HG21 VAL 73 HG21 VAL 73 5.822 -7.088 20.449 592 HG22 VAL 73 HG22 VAL 73 6.942 -8.315 19.857 593 HG23 VAL 73 HG23 VAL 73 6.325 -7.081 18.758 594 H LYS 74 H LYS 74 2.854 -10.887 19.890 595 HA LYS 74 HA LYS 74 0.773 -10.123 18.161 596 HB2 LYS 74 HB2 LYS 74 1.037 -12.608 19.864 597 HB3 LYS 74 HB3 LYS 74 -0.107 -12.405 18.543 598 HG2 LYS 74 HG2 LYS 74 1.579 -12.422 16.925 599 HG3 LYS 74 HG3 LYS 74 2.846 -12.118 18.116 600 HD2 LYS 74 HD2 LYS 74 3.186 -14.313 18.236 601 HD3 LYS 74 HD3 LYS 74 1.569 -14.486 18.923 602 HE2 LYS 74 HE2 LYS 74 0.615 -14.816 16.752 603 HE3 LYS 74 HE3 LYS 74 2.140 -14.415 15.965 604 HZ1 LYS 74 HZ1 LYS 74 3.108 -16.393 17.067 605 HZ2 LYS 74 HZ2 LYS 74 1.883 -16.769 15.963 606 HZ3 LYS 74 HZ3 LYS 74 1.564 -16.807 17.624 607 H VAL 75 H VAL 75 0.815 -10.773 21.643 608 HA VAL 75 HA VAL 75 -1.943 -10.548 22.102 609 HB VAL 75 HB VAL 75 0.184 -11.154 23.674 610 HG11 VAL 75 HG11 VAL 75 0.599 -8.627 23.807 611 HG12 VAL 75 HG12 VAL 75 -0.819 -8.585 24.858 612 HG13 VAL 75 HG13 VAL 75 0.591 -9.541 25.315 613 HG21 VAL 75 HG21 VAL 75 -2.446 -10.219 24.801 614 HG22 VAL 75 HG22 VAL 75 -2.260 -11.733 23.916 615 HG23 VAL 75 HG23 VAL 75 -1.383 -11.481 25.425 616 H VAL 76 H VAL 76 0.443 -8.166 21.427 617 HA VAL 76 HA VAL 76 -1.001 -5.954 22.578 618 HB VAL 76 HB VAL 76 1.510 -6.261 21.011 619 HG11 VAL 76 HG11 VAL 76 0.645 -4.552 19.686 620 HG12 VAL 76 HG12 VAL 76 -0.189 -3.792 21.043 621 HG13 VAL 76 HG13 VAL 76 1.568 -3.689 20.917 622 HG21 VAL 76 HG21 VAL 76 2.007 -6.176 23.237 623 HG22 VAL 76 HG22 VAL 76 2.066 -4.453 22.865 624 HG23 VAL 76 HG23 VAL 76 0.630 -5.143 23.620 625 H LEU 77 H LEU 77 -0.249 -6.997 19.252 626 HA LEU 77 HA LEU 77 -1.922 -5.058 18.028 627 HB2 LEU 77 HB2 LEU 77 -1.675 -6.573 16.012 628 HB3 LEU 77 HB3 LEU 77 -0.195 -5.905 16.697 629 HG LEU 77 HG LEU 77 -0.467 -8.354 17.964 630 HD11 LEU 77 HD11 LEU 77 -0.630 -9.874 15.924 631 HD12 LEU 77 HD12 LEU 77 -1.411 -8.513 15.120 632 HD13 LEU 77 HD13 LEU 77 -2.135 -9.216 16.566 633 HD21 LEU 77 HD21 LEU 77 1.137 -8.318 15.500 634 HD22 LEU 77 HD22 LEU 77 1.614 -8.659 17.164 635 HD23 LEU 77 HD23 LEU 77 1.442 -6.989 16.619 636 H LYS 78 H LYS 78 -2.334 -8.527 18.682 637 HA LYS 78 HA LYS 78 -4.809 -8.936 17.538 638 HB2 LYS 78 HB2 LYS 78 -3.188 -10.554 18.817 639 HB3 LYS 78 HB3 LYS 78 -4.195 -10.158 20.203 640 HG2 LYS 78 HG2 LYS 78 -5.884 -10.804 18.002 641 HG3 LYS 78 HG3 LYS 78 -4.666 -12.069 18.184 642 HD2 LYS 78 HD2 LYS 78 -6.188 -12.863 19.671 643 HD3 LYS 78 HD3 LYS 78 -5.334 -11.760 20.752 644 HE2 LYS 78 HE2 LYS 78 -7.677 -11.399 21.039 645 HE3 LYS 78 HE3 LYS 78 -7.021 -10.012 20.172 646 HZ1 LYS 78 HZ1 LYS 78 -9.015 -10.608 19.096 647 HZ2 LYS 78 HZ2 LYS 78 -8.614 -12.251 19.065 648 HZ3 LYS 78 HZ3 LYS 78 -7.772 -11.157 18.088 649 H GLY 79 H GLY 79 -4.044 -7.557 20.703 650 HA2 GLY 79 HA2 GLY 79 -6.857 -7.262 21.368 651 HA3 GLY 79 HA3 GLY 79 -5.491 -6.785 22.366 652 H LEU 80 H LEU 80 -4.400 -5.394 19.856 653 HA LEU 80 HA LEU 80 -5.477 -2.820 20.485 654 HB2 LEU 80 HB2 LEU 80 -3.183 -3.859 19.181 655 HB3 LEU 80 HB3 LEU 80 -3.986 -2.761 18.060 656 HG LEU 80 HG LEU 80 -3.947 -1.065 19.977 657 HD11 LEU 80 HD11 LEU 80 -2.951 -1.550 21.906 658 HD12 LEU 80 HD12 LEU 80 -1.550 -2.247 21.095 659 HD13 LEU 80 HD13 LEU 80 -2.979 -3.237 21.393 660 HD21 LEU 80 HD21 LEU 80 -1.304 -1.934 18.814 661 HD22 LEU 80 HD22 LEU 80 -1.739 -0.321 19.379 662 HD23 LEU 80 HD23 LEU 80 -2.521 -0.995 17.949 663 H LYS 81 H LYS 81 -5.996 -5.195 17.987 664 HA LYS 81 HA LYS 81 -7.165 -3.693 15.986 665 HB2 LYS 81 HB2 LYS 81 -7.513 -6.500 16.940 666 HB3 LYS 81 HB3 LYS 81 -8.653 -5.874 15.755 667 HG2 LYS 81 HG2 LYS 81 -5.869 -5.333 15.079 668 HG3 LYS 81 HG3 LYS 81 -6.249 -7.052 15.196 669 HD2 LYS 81 HD2 LYS 81 -8.163 -6.689 13.666 670 HD3 LYS 81 HD3 LYS 81 -7.669 -5.003 13.495 671 HE2 LYS 81 HE2 LYS 81 -5.921 -5.515 12.154 672 HE3 LYS 81 HE3 LYS 81 -5.574 -7.021 13.002 673 HZ1 LYS 81 HZ1 LYS 81 -6.560 -7.002 10.582 674 HZ2 LYS 81 HZ2 LYS 81 -8.027 -6.880 11.414 675 HZ3 LYS 81 HZ3 LYS 81 -6.999 -8.193 11.700 676 H VAL 82 H VAL 82 -8.912 -5.370 18.610 677 HA VAL 82 HA VAL 82 -11.421 -4.255 18.072 678 HB VAL 82 HB VAL 82 -10.556 -4.969 20.858 679 HG11 VAL 82 HG11 VAL 82 -13.054 -6.063 20.036 680 HG12 VAL 82 HG12 VAL 82 -12.733 -4.846 21.273 681 HG13 VAL 82 HG13 VAL 82 -13.014 -4.355 19.602 682 HG21 VAL 82 HG21 VAL 82 -11.255 -7.341 20.176 683 HG22 VAL 82 HG22 VAL 82 -10.972 -6.804 18.520 684 HG23 VAL 82 HG23 VAL 82 -9.653 -6.783 19.691 685 H MET 83 H MET 83 -8.671 -2.694 19.079 686 HA MET 83 HA MET 83 -10.134 -0.646 20.589 687 HB2 MET 83 HB2 MET 83 -7.954 -1.712 21.442 688 HB3 MET 83 HB3 MET 83 -7.150 -0.747 20.211 689 HG2 MET 83 HG2 MET 83 -7.027 0.429 22.273 690 HG3 MET 83 HG3 MET 83 -8.159 1.281 21.225 691 HE1 MET 83 HE1 MET 83 -8.584 0.921 25.266 692 HE2 MET 83 HE2 MET 83 -8.322 -0.800 24.985 693 HE3 MET 83 HE3 MET 83 -7.215 0.385 24.291 694 H ASN 84 H ASN 84 -9.067 -1.311 17.493 695 HA ASN 84 HA ASN 84 -8.986 -0.088 15.576 696 HB2 ASN 84 HB2 ASN 84 -10.613 1.556 17.393 697 HB3 ASN 84 HB3 ASN 84 -9.836 2.464 16.099 698 HD21 ASN 84 HD21 ASN 84 -12.545 0.826 16.932 699 HD22 ASN 84 HD22 ASN 84 -13.138 0.422 15.361 700 H LEU 85 H LEU 85 -6.736 -0.176 17.399 701 HA LEU 85 HA LEU 85 -5.500 2.446 17.230 702 HB2 LEU 85 HB2 LEU 85 -5.049 -0.022 18.698 703 HB3 LEU 85 HB3 LEU 85 -3.558 0.657 18.049 704 HG LEU 85 HG LEU 85 -3.693 1.539 20.199 705 HD11 LEU 85 HD11 LEU 85 -3.640 3.787 19.826 706 HD12 LEU 85 HD12 LEU 85 -5.117 3.777 18.861 707 HD13 LEU 85 HD13 LEU 85 -3.601 3.212 18.159 708 HD21 LEU 85 HD21 LEU 85 -5.589 1.504 21.348 709 HD22 LEU 85 HD22 LEU 85 -6.482 1.126 19.874 710 HD23 LEU 85 HD23 LEU 85 -6.229 2.807 20.347 711 H LEU 86 H LEU 86 -6.175 0.972 14.778 712 HA LEU 86 HA LEU 86 -3.905 -0.174 13.591 713 HB2 LEU 86 HB2 LEU 86 -6.106 1.346 12.206 714 HB3 LEU 86 HB3 LEU 86 -5.028 0.154 11.482 715 HG LEU 86 HG LEU 86 -6.749 -0.721 13.743 716 HD11 LEU 86 HD11 LEU 86 -8.690 -0.960 12.455 717 HD12 LEU 86 HD12 LEU 86 -7.849 -0.577 10.954 718 HD13 LEU 86 HD13 LEU 86 -8.147 0.689 12.144 719 HD21 LEU 86 HD21 LEU 86 -6.849 -2.755 12.276 720 HD22 LEU 86 HD22 LEU 86 -5.237 -2.324 12.847 721 HD23 LEU 86 HD23 LEU 86 -5.718 -1.946 11.192 722 H GLU 87 H GLU 87 -4.433 2.990 14.553 723 HA GLU 87 HA GLU 87 -3.327 4.579 12.588 724 HB2 GLU 87 HB2 GLU 87 -4.244 5.654 14.484 725 HB3 GLU 87 HB3 GLU 87 -3.210 4.761 15.590 726 HG2 GLU 87 HG2 GLU 87 -1.512 6.200 15.372 727 HG3 GLU 87 HG3 GLU 87 -1.768 6.399 13.639 728 H LEU 88 H LEU 88 -1.413 3.748 15.459 729 HA LEU 88 HA LEU 88 1.034 3.982 13.981 730 HB2 LEU 88 HB2 LEU 88 2.094 3.944 15.995 731 HB3 LEU 88 HB3 LEU 88 0.490 4.462 16.507 732 HG LEU 88 HG LEU 88 1.295 2.842 18.068 733 HD11 LEU 88 HD11 LEU 88 -1.057 2.489 16.530 734 HD12 LEU 88 HD12 LEU 88 -0.759 2.029 18.206 735 HD13 LEU 88 HD13 LEU 88 -0.410 0.892 16.905 736 HD21 LEU 88 HD21 LEU 88 2.532 1.056 17.551 737 HD22 LEU 88 HD22 LEU 88 2.668 1.771 15.944 738 HD23 LEU 88 HD23 LEU 88 1.431 0.554 16.267 739 H VAL 89 H VAL 89 -1.072 1.399 14.927 740 HA VAL 89 HA VAL 89 0.639 -0.788 14.881 741 HB VAL 89 HB VAL 89 -2.243 -0.374 14.571 742 HG11 VAL 89 HG11 VAL 89 -2.618 -2.685 13.682 743 HG12 VAL 89 HG12 VAL 89 -1.986 -1.536 12.501 744 HG13 VAL 89 HG13 VAL 89 -0.912 -2.725 13.238 745 HG21 VAL 89 HG21 VAL 89 -0.827 -2.740 15.757 746 HG22 VAL 89 HG22 VAL 89 -0.892 -1.187 16.591 747 HG23 VAL 89 HG23 VAL 89 -2.385 -2.044 16.206 748 H ASP 90 H ASP 90 -0.601 1.137 12.265 749 HA ASP 90 HA ASP 90 -0.496 -0.411 10.058 750 HB2 ASP 90 HB2 ASP 90 -0.677 2.217 10.382 751 HB3 ASP 90 HB3 ASP 90 1.015 2.157 9.897 752 H GLN 91 H GLN 91 2.379 1.184 11.445 753 HA GLN 91 HA GLN 91 4.150 -0.341 9.762 754 HB2 GLN 91 HB2 GLN 91 4.716 1.533 12.066 755 HB3 GLN 91 HB3 GLN 91 5.944 0.822 11.027 756 HG2 GLN 91 HG2 GLN 91 5.744 2.615 9.745 757 HG3 GLN 91 HG3 GLN 91 4.169 1.990 9.258 758 HE21 GLN 91 HE21 GLN 91 5.608 4.690 10.166 759 HE22 GLN 91 HE22 GLN 91 4.333 5.478 11.024 760 H LEU 92 H LEU 92 3.859 -0.037 13.308 761 HA LEU 92 HA LEU 92 5.479 -1.922 14.250 762 HB2 LEU 92 HB2 LEU 92 4.089 -0.797 15.782 763 HB3 LEU 92 HB3 LEU 92 2.622 -1.403 15.015 764 HG LEU 92 HG LEU 92 3.311 -2.370 17.294 765 HD11 LEU 92 HD11 LEU 92 1.848 -3.356 15.194 766 HD12 LEU 92 HD12 LEU 92 1.907 -4.036 16.819 767 HD13 LEU 92 HD13 LEU 92 2.955 -4.680 15.556 768 HD21 LEU 92 HD21 LEU 92 4.920 -4.373 15.862 769 HD22 LEU 92 HD22 LEU 92 5.105 -3.716 17.488 770 HD23 LEU 92 HD23 LEU 92 5.695 -2.806 16.096 771 H SER 93 H SER 93 2.255 -2.688 12.947 772 HA SER 93 HA SER 93 2.461 -5.476 13.227 773 HB2 SER 93 HB2 SER 93 0.751 -3.653 11.574 774 HB3 SER 93 HB3 SER 93 0.712 -5.389 11.265 775 HG SER 93 HG SER 93 0.387 -4.329 13.864 776 H HIS 94 H HIS 94 3.053 -3.388 10.408 777 HA HIS 94 HA HIS 94 3.926 -5.520 8.735 778 HB2 HIS 94 HB2 HIS 94 4.094 -2.521 8.553 779 HB3 HIS 94 HB3 HIS 94 4.878 -3.551 7.359 780 HD1 HIS 94 HD1 HIS 94 1.563 -4.540 8.769 781 HD2 HIS 94 HD2 HIS 94 3.097 -2.739 5.354 782 HE1 HIS 94 HE1 HIS 94 -0.337 -4.494 7.122 783 H ILE 95 H ILE 95 5.328 -4.247 11.410 784 HA ILE 95 HA ILE 95 8.065 -4.634 10.397 785 HB ILE 95 HB ILE 95 7.117 -3.162 12.857 786 HG12 ILE 95 HG12 ILE 95 8.583 -2.077 10.452 787 HG13 ILE 95 HG13 ILE 95 6.827 -2.078 10.576 788 HG21 ILE 95 HG21 ILE 95 9.130 -3.823 13.642 789 HG22 ILE 95 HG22 ILE 95 9.775 -4.141 12.032 790 HG23 ILE 95 HG23 ILE 95 9.706 -2.488 12.644 791 HD11 ILE 95 HD11 ILE 95 6.916 -0.642 12.498 792 HD12 ILE 95 HD12 ILE 95 8.678 -0.732 12.527 793 HD13 ILE 95 HD13 ILE 95 7.857 0.073 11.189 794 H CYS 96 H CYS 96 5.659 -5.841 12.545 795 HA CYS 96 HA CYS 96 7.617 -7.645 13.797 796 HB2 CYS 96 HB2 CYS 96 4.996 -6.525 14.704 797 HB3 CYS 96 HB3 CYS 96 5.518 -8.084 15.331 798 HG CYS 96 HG CYS 96 6.060 -5.766 17.034 799 H LEU 97 H LEU 97 5.491 -7.557 11.304 800 HA LEU 97 HA LEU 97 4.650 -9.175 9.937 801 HB2 LEU 97 HB2 LEU 97 6.775 -10.385 11.009 802 HB3 LEU 97 HB3 LEU 97 5.508 -11.402 11.693 803 HG LEU 97 HG LEU 97 5.119 -11.033 8.854 804 HD11 LEU 97 HD11 LEU 97 7.847 -11.669 9.803 805 HD12 LEU 97 HD12 LEU 97 7.311 -10.919 8.300 806 HD13 LEU 97 HD13 LEU 97 7.198 -12.667 8.502 807 HD21 LEU 97 HD21 LEU 97 5.866 -13.656 9.970 808 HD22 LEU 97 HD22 LEU 97 4.482 -13.192 8.980 809 HD23 LEU 97 HD23 LEU 97 4.473 -12.872 10.715 810 H HIS 98 H HIS 98 2.936 -8.026 11.684 811 HA HIS 98 HA HIS 98 1.520 -9.621 13.447 812 HB2 HIS 98 HB2 HIS 98 0.032 -7.909 13.534 813 HB3 HIS 98 HB3 HIS 98 1.265 -7.069 12.598 814 HD1 HIS 98 HD1 HIS 98 -2.223 -7.675 12.579 815 HD2 HIS 98 HD2 HIS 98 0.710 -7.525 9.640 816 HE1 HIS 98 HE1 HIS 98 -3.454 -7.297 10.419 817 H ASP 99 H ASP 99 1.707 -9.825 10.033 818 HA ASP 99 HA ASP 99 -0.690 -10.858 9.221 819 HB2 ASP 99 HB2 ASP 99 1.552 -10.504 7.927 820 HB3 ASP 99 HB3 ASP 99 1.843 -12.194 8.330 821 H TYR 100 H TYR 100 1.645 -12.322 11.320 822 HA TYR 100 HA TYR 100 0.601 -14.990 11.082 823 HB2 TYR 100 HB2 TYR 100 2.064 -15.404 13.106 824 HB3 TYR 100 HB3 TYR 100 2.901 -14.815 11.674 825 HD1 TYR 100 HD1 TYR 100 0.881 -12.670 13.891 826 HD2 TYR 100 HD2 TYR 100 4.803 -13.915 12.808 827 HE1 TYR 100 HE1 TYR 100 1.826 -10.821 15.209 828 HE2 TYR 100 HE2 TYR 100 5.758 -12.070 14.124 829 HH TYR 100 HH TYR 100 3.772 -9.558 15.478 830 H ARG 101 H ARG 101 -1.044 -12.552 12.016 831 HA ARG 101 HA ARG 101 -2.555 -14.019 13.995 832 HB2 ARG 101 HB2 ARG 101 -0.835 -12.759 15.312 833 HB3 ARG 101 HB3 ARG 101 -1.519 -11.266 14.683 834 HG2 ARG 101 HG2 ARG 101 -2.928 -11.254 16.387 835 HG3 ARG 101 HG3 ARG 101 -3.673 -12.715 15.737 836 HD2 ARG 101 HD2 ARG 101 -1.355 -13.595 17.006 837 HD3 ARG 101 HD3 ARG 101 -2.022 -12.369 18.084 838 HE ARG 101 HE ARG 101 -3.786 -13.766 18.539 839 HH11 ARG 101 HH11 ARG 101 -2.027 -14.970 15.787 840 HH12 ARG 101 HH12 ARG 101 -2.874 -16.480 15.742 841 HH21 ARG 101 HH21 ARG 101 -4.909 -15.751 18.490 842 HH22 ARG 101 HH22 ARG 101 -4.514 -16.923 17.279 843 H GLU 102 H GLU 102 -3.325 -13.474 11.469 844 HA GLU 102 HA GLU 102 -4.710 -11.019 11.152 845 HB2 GLU 102 HB2 GLU 102 -5.832 -12.172 9.251 846 HB3 GLU 102 HB3 GLU 102 -4.078 -12.278 9.203 847 HG2 GLU 102 HG2 GLU 102 -4.158 -14.543 10.044 848 HG3 GLU 102 HG3 GLU 102 -5.911 -14.446 10.203 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -10.607 7.559 14.314 2 HA2 GLY 1 HA2 GLY 1 -8.885 6.260 13.361 3 HA3 GLY 1 HA3 GLY 1 -9.665 6.958 11.949 4 H ALA 2 H ALA 2 -8.800 9.094 11.225 5 HA ALA 2 HA ALA 2 -7.074 10.342 10.424 6 HB1 ALA 2 HB1 ALA 2 -6.009 9.692 13.162 7 HB2 ALA 2 HB2 ALA 2 -5.178 10.768 12.037 8 HB3 ALA 2 HB3 ALA 2 -6.792 11.177 12.619 9 H MET 3 H MET 3 -4.641 10.270 9.915 10 HA MET 3 HA MET 3 -3.721 7.498 9.599 11 HB2 MET 3 HB2 MET 3 -3.869 9.607 7.444 12 HB3 MET 3 HB3 MET 3 -2.923 8.133 7.293 13 HG2 MET 3 HG2 MET 3 -4.836 7.499 6.238 14 HG3 MET 3 HG3 MET 3 -5.203 6.984 7.883 15 HE1 MET 3 HE1 MET 3 -7.509 6.825 7.914 16 HE2 MET 3 HE2 MET 3 -8.715 8.069 7.581 17 HE3 MET 3 HE3 MET 3 -7.915 7.236 6.248 18 H ALA 4 H ALA 4 -1.366 7.626 8.583 19 HA ALA 4 HA ALA 4 0.148 9.858 9.698 20 HB1 ALA 4 HB1 ALA 4 1.747 8.135 10.730 21 HB2 ALA 4 HB2 ALA 4 0.243 8.486 11.581 22 HB3 ALA 4 HB3 ALA 4 0.389 7.015 10.619 23 H MET 5 H MET 5 2.643 9.252 9.301 24 HA MET 5 HA MET 5 3.019 7.861 6.779 25 HB2 MET 5 HB2 MET 5 3.056 10.803 7.061 26 HB3 MET 5 HB3 MET 5 4.400 10.107 6.165 27 HG2 MET 5 HG2 MET 5 3.072 9.381 4.457 28 HG3 MET 5 HG3 MET 5 1.646 9.234 5.482 29 HE1 MET 5 HE1 MET 5 -0.415 11.887 4.654 30 HE2 MET 5 HE2 MET 5 -0.014 10.500 5.666 31 HE3 MET 5 HE3 MET 5 0.283 12.136 6.255 32 H ALA 6 H ALA 6 4.821 10.275 8.691 33 HA ALA 6 HA ALA 6 7.036 10.264 9.326 34 HB1 ALA 6 HB1 ALA 6 6.332 7.577 10.474 35 HB2 ALA 6 HB2 ALA 6 7.419 8.802 11.130 36 HB3 ALA 6 HB3 ALA 6 5.678 9.083 11.119 37 H LYS 7 H LYS 7 8.647 7.929 9.889 38 HA LYS 7 HA LYS 7 8.941 6.233 7.678 39 HB2 LYS 7 HB2 LYS 7 11.001 7.261 6.682 40 HB3 LYS 7 HB3 LYS 7 9.516 8.150 6.368 41 HG2 LYS 7 HG2 LYS 7 10.189 9.544 8.435 42 HG3 LYS 7 HG3 LYS 7 11.793 8.857 8.169 43 HD2 LYS 7 HD2 LYS 7 12.137 10.055 6.279 44 HD3 LYS 7 HD3 LYS 7 10.444 9.966 5.788 45 HE2 LYS 7 HE2 LYS 7 10.995 11.563 8.202 46 HE3 LYS 7 HE3 LYS 7 11.647 12.209 6.697 47 HZ1 LYS 7 HZ1 LYS 7 9.442 12.113 5.731 48 HZ2 LYS 7 HZ2 LYS 7 9.419 13.041 7.145 49 HZ3 LYS 7 HZ3 LYS 7 8.809 11.464 7.160 50 H ALA 8 H ALA 8 9.532 4.627 9.030 51 HA ALA 8 HA ALA 8 12.204 4.454 9.916 52 HB1 ALA 8 HB1 ALA 8 10.224 4.756 12.166 53 HB2 ALA 8 HB2 ALA 8 11.970 4.541 12.292 54 HB3 ALA 8 HB3 ALA 8 11.312 6.036 11.628 55 H ARG 9 H ARG 9 12.708 2.398 10.851 56 HA ARG 9 HA ARG 9 10.524 0.430 10.719 57 HB2 ARG 9 HB2 ARG 9 13.318 -0.184 9.782 58 HB3 ARG 9 HB3 ARG 9 11.846 -1.103 9.502 59 HG2 ARG 9 HG2 ARG 9 11.021 0.829 8.127 60 HG3 ARG 9 HG3 ARG 9 12.642 1.515 8.262 61 HD2 ARG 9 HD2 ARG 9 13.035 -1.134 7.486 62 HD3 ARG 9 HD3 ARG 9 11.662 -0.577 6.530 63 HE ARG 9 HE ARG 9 13.581 1.406 6.374 64 HH11 ARG 9 HH11 ARG 9 13.293 -1.954 5.509 65 HH12 ARG 9 HH12 ARG 9 14.386 -1.838 4.170 66 HH21 ARG 9 HH21 ARG 9 15.022 1.572 4.614 67 HH22 ARG 9 HH22 ARG 9 15.370 0.168 3.662 68 H LYS 10 H LYS 10 11.163 1.472 13.103 69 HA LYS 10 HA LYS 10 13.088 -0.327 14.380 70 HB2 LYS 10 HB2 LYS 10 11.588 1.916 15.720 71 HB3 LYS 10 HB3 LYS 10 13.088 1.153 16.230 72 HG2 LYS 10 HG2 LYS 10 13.959 2.084 13.931 73 HG3 LYS 10 HG3 LYS 10 12.619 3.213 14.139 74 HD2 LYS 10 HD2 LYS 10 14.296 2.804 16.522 75 HD3 LYS 10 HD3 LYS 10 15.105 3.580 15.159 76 HE2 LYS 10 HE2 LYS 10 12.753 4.926 15.198 77 HE3 LYS 10 HE3 LYS 10 12.963 4.576 16.913 78 HZ1 LYS 10 HZ1 LYS 10 14.821 6.047 15.132 79 HZ2 LYS 10 HZ2 LYS 10 15.246 5.525 16.684 80 HZ3 LYS 10 HZ3 LYS 10 13.994 6.645 16.482 81 HA PRO 11 HA PRO 11 9.447 -2.769 15.445 82 HB2 PRO 11 HB2 PRO 11 10.870 -4.931 16.265 83 HB3 PRO 11 HB3 PRO 11 10.543 -4.586 14.563 84 HG2 PRO 11 HG2 PRO 11 13.012 -4.040 16.166 85 HG3 PRO 11 HG3 PRO 11 12.866 -4.680 14.518 86 HD2 PRO 11 HD2 PRO 11 13.468 -2.089 15.027 87 HD3 PRO 11 HD3 PRO 11 12.536 -2.591 13.601 88 H ARG 12 H ARG 12 12.347 -3.129 17.501 89 HA ARG 12 HA ARG 12 11.048 -3.609 19.890 90 HB2 ARG 12 HB2 ARG 12 13.469 -3.879 19.576 91 HB3 ARG 12 HB3 ARG 12 13.655 -2.133 19.482 92 HG2 ARG 12 HG2 ARG 12 12.696 -2.024 21.811 93 HG3 ARG 12 HG3 ARG 12 12.864 -3.780 21.865 94 HD2 ARG 12 HD2 ARG 12 15.321 -2.849 20.938 95 HD3 ARG 12 HD3 ARG 12 14.862 -1.724 22.216 96 HE ARG 12 HE ARG 12 14.407 -4.159 23.318 97 HH11 ARG 12 HH11 ARG 12 17.148 -2.692 21.751 98 HH12 ARG 12 HH12 ARG 12 18.316 -3.592 22.661 99 HH21 ARG 12 HH21 ARG 12 15.934 -5.350 24.523 100 HH22 ARG 12 HH22 ARG 12 17.624 -5.105 24.237 101 H GLU 13 H GLU 13 12.100 -0.481 18.565 102 HA GLU 13 HA GLU 13 11.110 1.060 20.730 103 HB2 GLU 13 HB2 GLU 13 12.187 1.602 18.026 104 HB3 GLU 13 HB3 GLU 13 11.154 2.848 18.712 105 HG2 GLU 13 HG2 GLU 13 12.903 2.139 20.763 106 HG3 GLU 13 HG3 GLU 13 13.891 2.204 19.305 107 H ALA 14 H ALA 14 9.602 -0.434 18.048 108 HA ALA 14 HA ALA 14 7.377 1.308 17.754 109 HB1 ALA 14 HB1 ALA 14 8.325 -1.066 16.532 110 HB2 ALA 14 HB2 ALA 14 6.655 -1.342 17.029 111 HB3 ALA 14 HB3 ALA 14 7.049 0.020 15.980 112 H LEU 15 H LEU 15 7.914 -1.662 19.613 113 HA LEU 15 HA LEU 15 5.279 -1.880 20.612 114 HB2 LEU 15 HB2 LEU 15 7.175 -3.619 20.570 115 HB3 LEU 15 HB3 LEU 15 7.711 -2.859 22.068 116 HG LEU 15 HG LEU 15 6.283 -4.969 22.244 117 HD11 LEU 15 HD11 LEU 15 6.575 -2.765 23.873 118 HD12 LEU 15 HD12 LEU 15 5.897 -4.324 24.340 119 HD13 LEU 15 HD13 LEU 15 4.830 -3.017 23.829 120 HD21 LEU 15 HD21 LEU 15 4.033 -3.036 21.737 121 HD22 LEU 15 HD22 LEU 15 3.933 -4.776 22.010 122 HD23 LEU 15 HD23 LEU 15 4.637 -4.156 20.516 123 H LEU 16 H LEU 16 8.170 -0.248 21.791 124 HA LEU 16 HA LEU 16 7.135 0.441 24.338 125 HB2 LEU 16 HB2 LEU 16 9.209 2.007 22.834 126 HB3 LEU 16 HB3 LEU 16 9.024 1.832 24.578 127 HG LEU 16 HG LEU 16 9.829 -0.419 22.742 128 HD11 LEU 16 HD11 LEU 16 11.351 1.831 23.593 129 HD12 LEU 16 HD12 LEU 16 11.871 0.433 22.652 130 HD13 LEU 16 HD13 LEU 16 11.957 0.392 24.413 131 HD21 LEU 16 HD21 LEU 16 9.384 -0.114 25.653 132 HD22 LEU 16 HD22 LEU 16 10.766 -1.087 25.148 133 HD23 LEU 16 HD23 LEU 16 9.141 -1.513 24.607 134 H TRP 17 H TRP 17 7.304 2.181 21.252 135 HA TRP 17 HA TRP 17 6.031 4.530 22.269 136 HB2 TRP 17 HB2 TRP 17 7.261 3.692 19.804 137 HB3 TRP 17 HB3 TRP 17 5.707 4.451 19.469 138 HD1 TRP 17 HD1 TRP 17 8.510 5.394 21.998 139 HE1 TRP 17 HE1 TRP 17 9.067 7.884 21.658 140 HE3 TRP 17 HE3 TRP 17 5.337 6.412 18.121 141 HZ2 TRP 17 HZ2 TRP 17 8.266 10.000 19.969 142 HZ3 TRP 17 HZ3 TRP 17 5.293 8.694 17.201 143 HH2 TRP 17 HH2 TRP 17 6.727 10.449 18.108 144 H ALA 18 H ALA 18 4.957 1.585 20.722 145 HA ALA 18 HA ALA 18 2.314 2.502 20.138 146 HB1 ALA 18 HB1 ALA 18 3.632 -0.188 20.175 147 HB2 ALA 18 HB2 ALA 18 1.890 -0.030 19.945 148 HB3 ALA 18 HB3 ALA 18 3.003 0.725 18.804 149 H LEU 19 H LEU 19 3.488 0.103 22.510 150 HA LEU 19 HA LEU 19 1.135 -0.208 23.928 151 HB2 LEU 19 HB2 LEU 19 2.385 -1.256 25.579 152 HB3 LEU 19 HB3 LEU 19 3.353 -1.473 24.123 153 HG LEU 19 HG LEU 19 4.603 0.655 24.975 154 HD11 LEU 19 HD11 LEU 19 4.653 0.370 27.585 155 HD12 LEU 19 HD12 LEU 19 3.008 -0.212 27.334 156 HD13 LEU 19 HD13 LEU 19 3.460 1.410 26.808 157 HD21 LEU 19 HD21 LEU 19 5.870 -1.006 26.609 158 HD22 LEU 19 HD22 LEU 19 5.952 -1.175 24.855 159 HD23 LEU 19 HD23 LEU 19 4.850 -2.189 25.789 160 H SER 20 H SER 20 3.399 2.415 23.975 161 HA SER 20 HA SER 20 2.308 3.548 26.417 162 HB2 SER 20 HB2 SER 20 4.772 3.670 25.708 163 HB3 SER 20 HB3 SER 20 4.256 4.898 24.553 164 HG SER 20 HG SER 20 3.578 5.093 27.283 165 H ASP 21 H ASP 21 1.820 3.744 23.027 166 HA ASP 21 HA ASP 21 0.755 6.363 22.867 167 HB2 ASP 21 HB2 ASP 21 1.195 4.174 21.095 168 HB3 ASP 21 HB3 ASP 21 -0.481 4.687 20.920 169 H LEU 22 H LEU 22 -0.656 3.219 23.575 170 HA LEU 22 HA LEU 22 -3.347 4.291 23.656 171 HB2 LEU 22 HB2 LEU 22 -3.736 1.887 24.627 172 HB3 LEU 22 HB3 LEU 22 -3.455 2.142 22.906 173 HG LEU 22 HG LEU 22 -1.048 1.604 24.520 174 HD11 LEU 22 HD11 LEU 22 -1.435 -0.735 24.766 175 HD12 LEU 22 HD12 LEU 22 -2.989 -0.623 23.942 176 HD13 LEU 22 HD13 LEU 22 -2.779 0.112 25.531 177 HD21 LEU 22 HD21 LEU 22 -2.072 0.388 21.960 178 HD22 LEU 22 HD22 LEU 22 -0.425 0.332 22.589 179 HD23 LEU 22 HD23 LEU 22 -1.110 1.864 22.043 180 H GLU 23 H GLU 23 -4.708 4.075 25.569 181 HA GLU 23 HA GLU 23 -3.424 5.150 27.880 182 HB2 GLU 23 HB2 GLU 23 -6.257 4.273 27.333 183 HB3 GLU 23 HB3 GLU 23 -5.748 4.927 28.884 184 HG2 GLU 23 HG2 GLU 23 -4.927 6.950 27.591 185 HG3 GLU 23 HG3 GLU 23 -5.829 6.304 26.221 186 H GLU 24 H GLU 24 -3.453 4.255 30.017 187 HA GLU 24 HA GLU 24 -2.517 1.615 30.156 188 HB2 GLU 24 HB2 GLU 24 -2.750 1.903 32.632 189 HB3 GLU 24 HB3 GLU 24 -1.850 3.186 31.835 190 HG2 GLU 24 HG2 GLU 24 -3.171 4.446 33.174 191 HG3 GLU 24 HG3 GLU 24 -4.229 4.329 31.770 192 H ASN 25 H ASN 25 -5.709 2.992 30.642 193 HA ASN 25 HA ASN 25 -6.868 0.611 31.719 194 HB2 ASN 25 HB2 ASN 25 -7.644 3.246 31.571 195 HB3 ASN 25 HB3 ASN 25 -8.706 2.476 30.395 196 HD21 ASN 25 HD21 ASN 25 -7.386 1.588 33.570 197 HD22 ASN 25 HD22 ASN 25 -8.907 1.160 34.269 198 H ASP 26 H ASP 26 -5.591 1.055 28.809 199 HA ASP 26 HA ASP 26 -7.674 -0.479 27.399 200 HB2 ASP 26 HB2 ASP 26 -5.528 1.364 26.340 201 HB3 ASP 26 HB3 ASP 26 -6.477 0.297 25.308 202 H PHE 27 H PHE 27 -4.129 -0.105 27.523 203 HA PHE 27 HA PHE 27 -3.512 -2.522 26.255 204 HB2 PHE 27 HB2 PHE 27 -1.435 -1.717 26.459 205 HB3 PHE 27 HB3 PHE 27 -2.082 -0.397 27.428 206 HD1 PHE 27 HD2 PHE 27 -0.376 -3.626 27.498 207 HD2 PHE 27 HD1 PHE 27 -1.914 -0.419 29.835 208 HE1 PHE 27 HE2 PHE 27 0.886 -4.445 29.445 209 HE2 PHE 27 HE1 PHE 27 -0.654 -1.232 31.786 210 HZ PHE 27 HZ PHE 27 0.747 -3.248 31.593 211 H LYS 28 H LYS 28 -4.039 -1.758 29.659 212 HA LYS 28 HA LYS 28 -3.262 -4.255 30.711 213 HB2 LYS 28 HB2 LYS 28 -3.498 -2.268 32.112 214 HB3 LYS 28 HB3 LYS 28 -5.227 -2.227 31.792 215 HG2 LYS 28 HG2 LYS 28 -5.474 -4.392 32.922 216 HG3 LYS 28 HG3 LYS 28 -3.744 -4.388 33.275 217 HD2 LYS 28 HD2 LYS 28 -3.929 -2.696 34.827 218 HD3 LYS 28 HD3 LYS 28 -5.403 -2.049 34.103 219 HE2 LYS 28 HE2 LYS 28 -6.330 -4.433 34.846 220 HE3 LYS 28 HE3 LYS 28 -5.042 -4.269 36.039 221 HZ1 LYS 28 HZ1 LYS 28 -6.471 -3.058 37.203 222 HZ2 LYS 28 HZ2 LYS 28 -7.571 -2.960 35.922 223 HZ3 LYS 28 HZ3 LYS 28 -6.308 -1.842 36.038 224 H LYS 29 H LYS 29 -6.403 -3.003 29.657 225 HA LYS 29 HA LYS 29 -8.025 -5.110 30.443 226 HB2 LYS 29 HB2 LYS 29 -8.209 -2.866 28.634 227 HB3 LYS 29 HB3 LYS 29 -9.009 -4.274 27.948 228 HG2 LYS 29 HG2 LYS 29 -10.615 -3.001 29.176 229 HG3 LYS 29 HG3 LYS 29 -10.302 -4.500 30.052 230 HD2 LYS 29 HD2 LYS 29 -8.995 -3.396 31.676 231 HD3 LYS 29 HD3 LYS 29 -8.863 -1.938 30.690 232 HE2 LYS 29 HE2 LYS 29 -11.494 -2.956 31.732 233 HE3 LYS 29 HE3 LYS 29 -10.472 -1.858 32.658 234 HZ1 LYS 29 HZ1 LYS 29 -10.956 -1.026 29.938 235 HZ2 LYS 29 HZ2 LYS 29 -11.030 -0.133 31.373 236 HZ3 LYS 29 HZ3 LYS 29 -12.348 -1.082 30.898 237 H LEU 30 H LEU 30 -5.973 -4.793 27.598 238 HA LEU 30 HA LEU 30 -6.898 -7.220 26.382 239 HB2 LEU 30 HB2 LEU 30 -4.247 -6.209 25.622 240 HB3 LEU 30 HB3 LEU 30 -5.631 -6.634 24.618 241 HG LEU 30 HG LEU 30 -5.235 -4.036 26.101 242 HD11 LEU 30 HD11 LEU 30 -4.438 -3.138 24.209 243 HD12 LEU 30 HD12 LEU 30 -5.535 -4.063 23.185 244 HD13 LEU 30 HD13 LEU 30 -4.051 -4.805 23.782 245 HD21 LEU 30 HD21 LEU 30 -7.383 -4.530 24.089 246 HD22 LEU 30 HD22 LEU 30 -7.310 -3.338 25.388 247 HD23 LEU 30 HD23 LEU 30 -7.624 -5.034 25.762 248 H LYS 31 H LYS 31 -3.827 -6.271 27.927 249 HA LYS 31 HA LYS 31 -2.614 -8.779 27.882 250 HB2 LYS 31 HB2 LYS 31 -2.298 -6.555 29.907 251 HB3 LYS 31 HB3 LYS 31 -1.206 -7.924 29.737 252 HG2 LYS 31 HG2 LYS 31 -1.750 -5.843 27.629 253 HG3 LYS 31 HG3 LYS 31 -0.322 -5.921 28.665 254 HD2 LYS 31 HD2 LYS 31 0.296 -8.058 27.699 255 HD3 LYS 31 HD3 LYS 31 -1.174 -8.069 26.723 256 HE2 LYS 31 HE2 LYS 31 0.690 -7.378 25.358 257 HE3 LYS 31 HE3 LYS 31 -0.397 -6.011 25.597 258 HZ1 LYS 31 HZ1 LYS 31 1.574 -6.081 27.631 259 HZ2 LYS 31 HZ2 LYS 31 1.237 -4.855 26.515 260 HZ3 LYS 31 HZ3 LYS 31 2.313 -6.094 26.109 261 H PHE 32 H PHE 32 -5.101 -7.517 29.940 262 HA PHE 32 HA PHE 32 -4.806 -9.359 32.080 263 HB2 PHE 32 HB2 PHE 32 -6.079 -7.168 32.139 264 HB3 PHE 32 HB3 PHE 32 -7.362 -7.982 31.249 265 HD1 PHE 32 HD1 PHE 32 -8.241 -10.194 32.318 266 HD2 PHE 32 HD2 PHE 32 -6.128 -7.170 34.440 267 HE1 PHE 32 HE1 PHE 32 -9.184 -11.025 34.434 268 HE2 PHE 32 HE2 PHE 32 -7.067 -7.995 36.559 269 HZ PHE 32 HZ PHE 32 -8.596 -9.926 36.558 270 H TYR 33 H TYR 33 -6.881 -9.301 29.202 271 HA TYR 33 HA TYR 33 -7.823 -11.999 29.808 272 HB2 TYR 33 HB2 TYR 33 -8.958 -9.735 28.516 273 HB3 TYR 33 HB3 TYR 33 -8.846 -11.024 27.323 274 HD1 TYR 33 HD2 TYR 33 -9.556 -11.121 30.987 275 HD2 TYR 33 HD1 TYR 33 -10.969 -11.908 27.052 276 HE1 TYR 33 HE2 TYR 33 -11.577 -12.160 31.928 277 HE2 TYR 33 HE1 TYR 33 -12.995 -12.949 27.982 278 HH TYR 33 HH TYR 33 -14.281 -13.045 29.943 279 H LEU 34 H LEU 34 -6.446 -10.259 27.014 280 HA LEU 34 HA LEU 34 -5.970 -12.436 25.377 281 HB2 LEU 34 HB2 LEU 34 -4.632 -9.781 25.685 282 HB3 LEU 34 HB3 LEU 34 -3.983 -10.972 24.560 283 HG LEU 34 HG LEU 34 -5.328 -9.505 23.288 284 HD11 LEU 34 HD11 LEU 34 -7.270 -11.725 23.738 285 HD12 LEU 34 HD12 LEU 34 -5.661 -12.083 23.110 286 HD13 LEU 34 HD13 LEU 34 -6.729 -10.991 22.229 287 HD21 LEU 34 HD21 LEU 34 -6.669 -8.986 25.592 288 HD22 LEU 34 HD22 LEU 34 -7.858 -9.944 24.710 289 HD23 LEU 34 HD23 LEU 34 -7.197 -8.476 23.989 290 H ARG 35 H ARG 35 -3.592 -10.874 27.534 291 HA ARG 35 HA ARG 35 -1.574 -12.781 27.199 292 HB2 ARG 35 HB2 ARG 35 -1.805 -10.402 28.538 293 HB3 ARG 35 HB3 ARG 35 -1.702 -11.552 29.864 294 HG2 ARG 35 HG2 ARG 35 0.361 -12.475 28.746 295 HG3 ARG 35 HG3 ARG 35 0.295 -11.077 27.672 296 HD2 ARG 35 HD2 ARG 35 1.814 -10.756 29.598 297 HD3 ARG 35 HD3 ARG 35 0.510 -9.571 29.537 298 HE ARG 35 HE ARG 35 0.156 -11.924 31.233 299 HH11 ARG 35 HH11 ARG 35 0.779 -8.511 30.941 300 HH12 ARG 35 HH12 ARG 35 0.420 -8.171 32.601 301 HH21 ARG 35 HH21 ARG 35 -0.318 -11.488 33.421 302 HH22 ARG 35 HH22 ARG 35 -0.203 -9.865 34.011 303 H ASP 36 H ASP 36 -4.259 -12.624 29.478 304 HA ASP 36 HA ASP 36 -3.581 -14.594 31.272 305 HB2 ASP 36 HB2 ASP 36 -6.018 -13.303 30.403 306 HB3 ASP 36 HB3 ASP 36 -6.311 -15.001 30.769 307 H MET 37 H MET 37 -5.294 -15.038 28.180 308 HA MET 37 HA MET 37 -5.035 -17.923 28.406 309 HB2 MET 37 HB2 MET 37 -6.378 -16.103 26.418 310 HB3 MET 37 HB3 MET 37 -6.211 -17.829 26.128 311 HG2 MET 37 HG2 MET 37 -7.428 -18.264 28.230 312 HG3 MET 37 HG3 MET 37 -7.660 -16.528 28.420 313 HE1 MET 37 HE1 MET 37 -9.949 -15.230 26.864 314 HE2 MET 37 HE2 MET 37 -8.271 -15.186 26.322 315 HE3 MET 37 HE3 MET 37 -9.551 -15.635 25.194 316 H THR 38 H THR 38 -4.304 -15.597 25.798 317 HA THR 38 HA THR 38 -2.715 -17.142 24.218 318 HB THR 38 HB THR 38 -1.705 -15.166 23.343 319 HG1 THR 38 HG1 THR 38 -2.302 -14.091 25.893 320 HG21 THR 38 HG21 THR 38 -3.666 -14.514 22.512 321 HG22 THR 38 HG22 THR 38 -4.029 -13.648 24.005 322 HG23 THR 38 HG23 THR 38 -4.490 -15.341 23.833 323 H LEU 39 H LEU 39 -1.751 -15.450 27.167 324 HA LEU 39 HA LEU 39 0.831 -16.866 27.051 325 HB2 LEU 39 HB2 LEU 39 0.091 -14.141 28.018 326 HB3 LEU 39 HB3 LEU 39 1.462 -14.977 28.744 327 HG LEU 39 HG LEU 39 2.277 -15.220 26.285 328 HD11 LEU 39 HD11 LEU 39 1.582 -13.146 24.987 329 HD12 LEU 39 HD12 LEU 39 0.207 -13.054 26.088 330 HD13 LEU 39 HD13 LEU 39 0.420 -14.472 25.061 331 HD21 LEU 39 HD21 LEU 39 2.553 -12.407 26.969 332 HD22 LEU 39 HD22 LEU 39 3.775 -13.675 26.874 333 HD23 LEU 39 HD23 LEU 39 2.825 -13.475 28.346 334 H SER 40 H SER 40 1.796 -16.995 29.392 335 HA SER 40 HA SER 40 -0.318 -18.106 31.117 336 HB2 SER 40 HB2 SER 40 2.243 -19.152 30.240 337 HB3 SER 40 HB3 SER 40 2.133 -19.123 32.000 338 HG SER 40 HG SER 40 0.057 -20.199 31.713 339 H GLU 41 H GLU 41 0.935 -18.375 33.475 340 HA GLU 41 HA GLU 41 1.019 -15.674 34.437 341 HB2 GLU 41 HB2 GLU 41 0.432 -18.170 35.539 342 HB3 GLU 41 HB3 GLU 41 1.904 -17.662 36.355 343 HG2 GLU 41 HG2 GLU 41 0.192 -15.426 36.286 344 HG3 GLU 41 HG3 GLU 41 -0.778 -16.809 36.789 345 H GLY 42 H GLY 42 2.847 -15.512 36.369 346 HA2 GLY 42 HA2 GLY 42 5.245 -16.007 36.725 347 HA3 GLY 42 HA3 GLY 42 5.424 -15.920 34.979 348 H GLN 43 H GLN 43 3.301 -13.648 36.443 349 HA GLN 43 HA GLN 43 5.365 -11.609 36.680 350 HB2 GLN 43 HB2 GLN 43 4.675 -10.244 34.983 351 HB3 GLN 43 HB3 GLN 43 4.271 -11.799 34.268 352 HG2 GLN 43 HG2 GLN 43 2.042 -11.457 34.432 353 HG3 GLN 43 HG3 GLN 43 2.183 -10.504 35.908 354 HE21 GLN 43 HE21 GLN 43 1.341 -8.583 35.545 355 HE22 GLN 43 HE22 GLN 43 1.628 -7.592 34.159 356 HA PRO 44 HA PRO 44 2.838 -9.945 39.854 357 HB2 PRO 44 HB2 PRO 44 3.059 -7.263 39.496 358 HB3 PRO 44 HB3 PRO 44 4.383 -8.263 40.104 359 HG2 PRO 44 HG2 PRO 44 3.904 -7.233 37.334 360 HG3 PRO 44 HG3 PRO 44 5.417 -7.299 38.257 361 HD2 PRO 44 HD2 PRO 44 4.793 -9.116 36.348 362 HD3 PRO 44 HD3 PRO 44 5.755 -9.529 37.782 363 HA PRO 45 HA PRO 45 -1.244 -8.912 38.585 364 HB2 PRO 45 HB2 PRO 45 -2.052 -7.123 40.460 365 HB3 PRO 45 HB3 PRO 45 -1.839 -8.844 40.803 366 HG2 PRO 45 HG2 PRO 45 0.009 -6.557 41.364 367 HG3 PRO 45 HG3 PRO 45 -0.415 -7.932 42.400 368 HD2 PRO 45 HD2 PRO 45 1.894 -7.829 40.990 369 HD3 PRO 45 HD3 PRO 45 1.049 -9.353 41.328 370 H LEU 46 H LEU 46 -2.184 -7.616 37.117 371 HA LEU 46 HA LEU 46 -0.860 -5.459 35.959 372 HB2 LEU 46 HB2 LEU 46 -3.647 -6.506 35.843 373 HB3 LEU 46 HB3 LEU 46 -3.299 -4.937 35.119 374 HG LEU 46 HG LEU 46 -3.262 -6.733 33.462 375 HD11 LEU 46 HD11 LEU 46 -0.400 -5.995 33.705 376 HD12 LEU 46 HD12 LEU 46 -1.580 -4.689 33.598 377 HD13 LEU 46 HD13 LEU 46 -1.485 -5.898 32.318 378 HD21 LEU 46 HD21 LEU 46 -2.553 -8.540 34.983 379 HD22 LEU 46 HD22 LEU 46 -0.937 -7.837 35.035 380 HD23 LEU 46 HD23 LEU 46 -1.577 -8.466 33.516 381 H ALA 47 H ALA 47 -1.356 -3.208 35.918 382 HA ALA 47 HA ALA 47 -3.090 -2.090 37.934 383 HB1 ALA 47 HB1 ALA 47 -0.102 -1.759 38.156 384 HB2 ALA 47 HB2 ALA 47 -1.285 -0.790 39.037 385 HB3 ALA 47 HB3 ALA 47 -1.179 -2.527 39.323 386 H ARG 48 H ARG 48 -3.675 0.004 37.493 387 HA ARG 48 HA ARG 48 -3.456 0.946 34.886 388 HB2 ARG 48 HB2 ARG 48 -4.255 3.142 35.869 389 HB3 ARG 48 HB3 ARG 48 -5.259 1.738 36.204 390 HG2 ARG 48 HG2 ARG 48 -4.391 1.575 38.434 391 HG3 ARG 48 HG3 ARG 48 -3.214 2.850 38.111 392 HD2 ARG 48 HD2 ARG 48 -4.861 4.509 38.036 393 HD3 ARG 48 HD3 ARG 48 -6.159 3.336 37.818 394 HE ARG 48 HE ARG 48 -5.070 2.766 40.272 395 HH11 ARG 48 HH11 ARG 48 -6.531 5.543 38.764 396 HH12 ARG 48 HH12 ARG 48 -7.164 6.178 40.246 397 HH21 ARG 48 HH21 ARG 48 -5.897 3.593 42.230 398 HH22 ARG 48 HH22 ARG 48 -6.801 5.069 42.218 399 H GLY 49 H GLY 49 -1.379 1.438 37.643 400 HA2 GLY 49 HA2 GLY 49 0.068 3.634 36.451 401 HA3 GLY 49 HA3 GLY 49 0.479 2.796 37.939 402 H GLU 50 H GLU 50 0.126 0.272 36.080 403 HA GLU 50 HA GLU 50 2.854 -0.256 35.764 404 HB2 GLU 50 HB2 GLU 50 0.654 -1.785 35.683 405 HB3 GLU 50 HB3 GLU 50 0.942 -1.633 33.955 406 HG2 GLU 50 HG2 GLU 50 3.002 -2.710 34.078 407 HG3 GLU 50 HG3 GLU 50 3.129 -2.466 35.819 408 H LEU 51 H LEU 51 0.622 1.430 33.741 409 HA LEU 51 HA LEU 51 2.621 1.517 31.580 410 HB2 LEU 51 HB2 LEU 51 0.538 0.564 30.838 411 HB3 LEU 51 HB3 LEU 51 -0.363 1.928 31.499 412 HG LEU 51 HG LEU 51 1.670 2.436 29.376 413 HD11 LEU 51 HD11 LEU 51 -1.007 1.139 28.983 414 HD12 LEU 51 HD12 LEU 51 0.557 0.674 28.314 415 HD13 LEU 51 HD13 LEU 51 -0.255 2.125 27.729 416 HD21 LEU 51 HD21 LEU 51 0.778 4.461 29.516 417 HD22 LEU 51 HD22 LEU 51 -0.344 3.893 30.753 418 HD23 LEU 51 HD23 LEU 51 -0.791 3.805 29.049 419 H GLU 52 H GLU 52 0.303 3.466 33.422 420 HA GLU 52 HA GLU 52 1.159 5.949 32.302 421 HB2 GLU 52 HB2 GLU 52 -1.074 5.765 33.196 422 HB3 GLU 52 HB3 GLU 52 -0.452 5.305 34.774 423 HG2 GLU 52 HG2 GLU 52 0.764 7.734 34.263 424 HG3 GLU 52 HG3 GLU 52 -0.873 7.932 33.639 425 H GLY 53 H GLY 53 1.601 4.485 35.528 426 HA2 GLY 53 HA2 GLY 53 3.448 6.468 36.399 427 HA3 GLY 53 HA3 GLY 53 3.147 4.920 37.176 428 H LEU 54 H LEU 54 3.981 3.031 35.596 429 HA LEU 54 HA LEU 54 6.814 3.303 35.604 430 HB2 LEU 54 HB2 LEU 54 5.254 1.119 34.252 431 HB3 LEU 54 HB3 LEU 54 6.888 1.042 34.906 432 HG LEU 54 HG LEU 54 4.308 1.171 36.462 433 HD11 LEU 54 HD11 LEU 54 4.464 -1.040 36.686 434 HD12 LEU 54 HD12 LEU 54 6.195 -0.969 37.015 435 HD13 LEU 54 HD13 LEU 54 5.615 -0.984 35.350 436 HD21 LEU 54 HD21 LEU 54 7.071 1.808 37.220 437 HD22 LEU 54 HD22 LEU 54 6.254 0.664 38.285 438 HD23 LEU 54 HD23 LEU 54 5.548 2.253 37.990 439 H ILE 55 H ILE 55 7.732 2.023 33.386 440 HA ILE 55 HA ILE 55 6.973 3.829 31.182 441 HB ILE 55 HB ILE 55 9.351 3.613 30.401 442 HG12 ILE 55 HG12 ILE 55 9.658 2.382 33.143 443 HG13 ILE 55 HG13 ILE 55 10.059 1.651 31.592 444 HG21 ILE 55 HG21 ILE 55 8.338 5.531 31.762 445 HG22 ILE 55 HG22 ILE 55 9.236 4.865 33.124 446 HG23 ILE 55 HG23 ILE 55 10.096 5.417 31.688 447 HD11 ILE 55 HD11 ILE 55 11.517 3.739 33.135 448 HD12 ILE 55 HD12 ILE 55 12.123 2.263 32.383 449 HD13 ILE 55 HD13 ILE 55 11.701 3.653 31.384 450 HA PRO 56 HA PRO 56 6.377 0.354 28.569 451 HB2 PRO 56 HB2 PRO 56 7.354 1.245 26.197 452 HB3 PRO 56 HB3 PRO 56 5.839 1.832 26.893 453 HG2 PRO 56 HG2 PRO 56 8.558 3.084 26.945 454 HG3 PRO 56 HG3 PRO 56 6.982 3.843 26.655 455 HD2 PRO 56 HD2 PRO 56 8.243 3.972 29.048 456 HD3 PRO 56 HD3 PRO 56 6.474 3.939 28.901 457 H VAL 57 H VAL 57 9.608 1.809 28.264 458 HA VAL 57 HA VAL 57 10.881 -0.416 27.110 459 HB VAL 57 HB VAL 57 12.088 1.727 28.865 460 HG11 VAL 57 HG11 VAL 57 13.305 -0.353 27.071 461 HG12 VAL 57 HG12 VAL 57 14.163 1.123 27.517 462 HG13 VAL 57 HG13 VAL 57 13.660 -0.018 28.765 463 HG21 VAL 57 HG21 VAL 57 12.822 2.468 26.438 464 HG22 VAL 57 HG22 VAL 57 11.348 1.611 25.987 465 HG23 VAL 57 HG23 VAL 57 11.271 2.959 27.121 466 H ASP 58 H ASP 58 9.797 0.163 30.306 467 HA ASP 58 HA ASP 58 11.570 -1.834 31.475 468 HB2 ASP 58 HB2 ASP 58 11.028 0.266 32.708 469 HB3 ASP 58 HB3 ASP 58 9.348 -0.258 32.789 470 H LEU 59 H LEU 59 8.044 -1.284 31.372 471 HA LEU 59 HA LEU 59 7.310 -3.834 32.252 472 HB2 LEU 59 HB2 LEU 59 5.305 -2.900 32.195 473 HB3 LEU 59 HB3 LEU 59 6.014 -1.493 31.406 474 HG LEU 59 HG LEU 59 5.059 -3.873 29.840 475 HD11 LEU 59 HD11 LEU 59 3.458 -1.451 30.653 476 HD12 LEU 59 HD12 LEU 59 3.179 -3.111 31.178 477 HD13 LEU 59 HD13 LEU 59 2.955 -2.674 29.485 478 HD21 LEU 59 HD21 LEU 59 6.459 -1.565 29.165 479 HD22 LEU 59 HD22 LEU 59 4.800 -1.251 28.657 480 HD23 LEU 59 HD23 LEU 59 5.650 -2.677 28.061 481 H ALA 60 H ALA 60 8.126 -2.638 29.065 482 HA ALA 60 HA ALA 60 7.134 -4.787 27.542 483 HB1 ALA 60 HB1 ALA 60 9.383 -2.854 27.017 484 HB2 ALA 60 HB2 ALA 60 8.795 -4.021 25.832 485 HB3 ALA 60 HB3 ALA 60 7.720 -2.760 26.436 486 H GLU 61 H GLU 61 10.367 -4.191 28.904 487 HA GLU 61 HA GLU 61 11.646 -6.457 27.930 488 HB2 GLU 61 HB2 GLU 61 12.089 -4.548 30.122 489 HB3 GLU 61 HB3 GLU 61 12.814 -6.129 30.381 490 HG2 GLU 61 HG2 GLU 61 13.758 -5.833 27.999 491 HG3 GLU 61 HG3 GLU 61 13.375 -4.128 28.234 492 H LEU 62 H LEU 62 9.445 -6.090 30.619 493 HA LEU 62 HA LEU 62 9.975 -8.648 31.781 494 HB2 LEU 62 HB2 LEU 62 8.991 -6.644 32.954 495 HB3 LEU 62 HB3 LEU 62 7.487 -6.984 32.100 496 HG LEU 62 HG LEU 62 8.729 -9.120 33.778 497 HD11 LEU 62 HD11 LEU 62 8.784 -7.379 35.348 498 HD12 LEU 62 HD12 LEU 62 7.268 -8.224 35.659 499 HD13 LEU 62 HD13 LEU 62 7.262 -6.698 34.775 500 HD21 LEU 62 HD21 LEU 62 5.931 -8.904 34.051 501 HD22 LEU 62 HD22 LEU 62 6.850 -10.144 33.197 502 HD23 LEU 62 HD23 LEU 62 6.299 -8.705 32.337 503 H LEU 63 H LEU 63 7.448 -7.356 29.652 504 HA LEU 63 HA LEU 63 5.896 -9.688 29.488 505 HB2 LEU 63 HB2 LEU 63 5.792 -7.124 28.449 506 HB3 LEU 63 HB3 LEU 63 5.949 -8.151 27.025 507 HG LEU 63 HG LEU 63 3.971 -9.417 28.430 508 HD11 LEU 63 HD11 LEU 63 3.904 -6.500 29.053 509 HD12 LEU 63 HD12 LEU 63 3.527 -7.879 30.084 510 HD13 LEU 63 HD13 LEU 63 2.395 -7.383 28.826 511 HD21 LEU 63 HD21 LEU 63 3.814 -9.095 26.101 512 HD22 LEU 63 HD22 LEU 63 3.876 -7.339 26.258 513 HD23 LEU 63 HD23 LEU 63 2.446 -8.223 26.793 514 H ILE 64 H ILE 64 8.463 -8.478 27.343 515 HA ILE 64 HA ILE 64 8.419 -10.571 25.495 516 HB ILE 64 HB ILE 64 10.652 -9.900 24.847 517 HG12 ILE 64 HG12 ILE 64 10.675 -8.199 27.350 518 HG13 ILE 64 HG13 ILE 64 11.578 -9.696 27.142 519 HG21 ILE 64 HG21 ILE 64 9.932 -7.205 25.276 520 HG22 ILE 64 HG22 ILE 64 9.663 -8.190 23.839 521 HG23 ILE 64 HG23 ILE 64 8.436 -8.123 25.104 522 HD11 ILE 64 HD11 ILE 64 12.983 -7.733 26.822 523 HD12 ILE 64 HD12 ILE 64 12.859 -8.686 25.343 524 HD13 ILE 64 HD13 ILE 64 11.936 -7.194 25.510 525 H SER 65 H SER 65 9.897 -10.332 28.656 526 HA SER 65 HA SER 65 11.507 -12.690 28.364 527 HB2 SER 65 HB2 SER 65 11.084 -10.631 30.380 528 HB3 SER 65 HB3 SER 65 11.206 -12.240 31.093 529 HG SER 65 HG SER 65 13.238 -12.375 30.482 530 H LYS 66 H LYS 66 8.276 -11.970 29.412 531 HA LYS 66 HA LYS 66 7.689 -14.197 30.969 532 HB2 LYS 66 HB2 LYS 66 6.033 -12.561 30.953 533 HB3 LYS 66 HB3 LYS 66 6.046 -12.422 29.200 534 HG2 LYS 66 HG2 LYS 66 4.000 -13.470 30.001 535 HG3 LYS 66 HG3 LYS 66 4.941 -14.578 29.000 536 HD2 LYS 66 HD2 LYS 66 5.936 -15.262 31.365 537 HD3 LYS 66 HD3 LYS 66 4.372 -14.656 31.916 538 HE2 LYS 66 HE2 LYS 66 4.281 -17.055 31.492 539 HE3 LYS 66 HE3 LYS 66 3.238 -16.176 30.375 540 HZ1 LYS 66 HZ1 LYS 66 4.748 -16.485 28.627 541 HZ2 LYS 66 HZ2 LYS 66 4.667 -17.989 29.395 542 HZ3 LYS 66 HZ3 LYS 66 5.996 -16.977 29.658 543 H TYR 67 H TYR 67 6.860 -13.814 27.518 544 HA TYR 67 HA TYR 67 7.191 -16.728 27.225 545 HB2 TYR 67 HB2 TYR 67 4.833 -15.383 26.940 546 HB3 TYR 67 HB3 TYR 67 5.431 -15.382 25.284 547 HD1 TYR 67 HD1 TYR 67 6.798 -17.993 25.154 548 HD2 TYR 67 HD2 TYR 67 3.084 -16.923 26.933 549 HE1 TYR 67 HE1 TYR 67 6.000 -20.301 24.862 550 HE2 TYR 67 HE2 TYR 67 2.276 -19.229 26.647 551 HH TYR 67 HH TYR 67 4.175 -21.789 26.106 552 H GLY 68 H GLY 68 7.489 -13.567 25.675 553 HA2 GLY 68 HA2 GLY 68 9.906 -13.905 24.478 554 HA3 GLY 68 HA3 GLY 68 8.788 -14.636 23.335 555 H GLU 69 H GLU 69 10.482 -12.279 23.010 556 HA GLU 69 HA GLU 69 8.922 -9.922 23.168 557 HB2 GLU 69 HB2 GLU 69 10.623 -8.926 21.718 558 HB3 GLU 69 HB3 GLU 69 11.363 -9.861 23.009 559 HG2 GLU 69 HG2 GLU 69 10.998 -11.582 20.788 560 HG3 GLU 69 HG3 GLU 69 11.737 -10.090 20.210 561 H LYS 70 H LYS 70 9.127 -12.491 20.848 562 HA LYS 70 HA LYS 70 8.086 -11.184 18.590 563 HB2 LYS 70 HB2 LYS 70 7.921 -14.076 19.447 564 HB3 LYS 70 HB3 LYS 70 7.404 -13.493 17.871 565 HG2 LYS 70 HG2 LYS 70 10.196 -13.276 18.979 566 HG3 LYS 70 HG3 LYS 70 9.643 -14.480 17.812 567 HD2 LYS 70 HD2 LYS 70 9.942 -13.058 16.127 568 HD3 LYS 70 HD3 LYS 70 8.939 -11.841 16.919 569 HE2 LYS 70 HE2 LYS 70 10.778 -10.620 17.189 570 HE3 LYS 70 HE3 LYS 70 11.340 -11.835 18.336 571 HZ1 LYS 70 HZ1 LYS 70 12.117 -13.022 16.166 572 HZ2 LYS 70 HZ2 LYS 70 13.060 -11.799 16.855 573 HZ3 LYS 70 HZ3 LYS 70 12.076 -11.458 15.522 574 H GLU 71 H GLU 71 6.224 -13.692 20.249 575 HA GLU 71 HA GLU 71 3.730 -12.824 19.470 576 HB2 GLU 71 HB2 GLU 71 2.815 -14.198 21.236 577 HB3 GLU 71 HB3 GLU 71 4.206 -15.011 20.533 578 HG2 GLU 71 HG2 GLU 71 5.565 -14.505 22.396 579 HG3 GLU 71 HG3 GLU 71 4.385 -13.363 23.036 580 H ALA 72 H ALA 72 5.768 -11.590 21.989 581 HA ALA 72 HA ALA 72 4.025 -10.324 23.689 582 HB1 ALA 72 HB1 ALA 72 6.798 -9.864 22.831 583 HB2 ALA 72 HB2 ALA 72 5.984 -8.464 23.529 584 HB3 ALA 72 HB3 ALA 72 6.109 -9.962 24.452 585 H VAL 73 H VAL 73 5.548 -8.738 20.874 586 HA VAL 73 HA VAL 73 3.922 -6.452 20.936 587 HB VAL 73 HB VAL 73 5.508 -7.701 18.698 588 HG11 VAL 73 HG11 VAL 73 5.215 -5.474 17.559 589 HG12 VAL 73 HG12 VAL 73 3.782 -6.504 17.591 590 HG13 VAL 73 HG13 VAL 73 3.918 -5.145 18.707 591 HG21 VAL 73 HG21 VAL 73 7.233 -6.438 19.389 592 HG22 VAL 73 HG22 VAL 73 6.205 -5.054 19.757 593 HG23 VAL 73 HG23 VAL 73 6.352 -6.375 20.916 594 H LYS 74 H LYS 74 3.453 -9.601 19.509 595 HA LYS 74 HA LYS 74 1.341 -8.918 17.752 596 HB2 LYS 74 HB2 LYS 74 2.828 -11.159 18.174 597 HB3 LYS 74 HB3 LYS 74 1.304 -11.627 18.917 598 HG2 LYS 74 HG2 LYS 74 0.146 -11.522 16.924 599 HG3 LYS 74 HG3 LYS 74 1.320 -10.434 16.180 600 HD2 LYS 74 HD2 LYS 74 1.763 -12.450 15.125 601 HD3 LYS 74 HD3 LYS 74 2.954 -12.433 16.428 602 HE2 LYS 74 HE2 LYS 74 0.708 -13.595 17.567 603 HE3 LYS 74 HE3 LYS 74 0.761 -14.266 15.937 604 HZ1 LYS 74 HZ1 LYS 74 2.060 -15.414 17.834 605 HZ2 LYS 74 HZ2 LYS 74 3.209 -14.201 17.568 606 HZ3 LYS 74 HZ3 LYS 74 2.786 -15.256 16.314 607 H VAL 75 H VAL 75 1.381 -10.206 21.062 608 HA VAL 75 HA VAL 75 -1.416 -10.392 21.365 609 HB VAL 75 HB VAL 75 0.326 -11.466 22.848 610 HG11 VAL 75 HG11 VAL 75 0.885 -8.686 23.390 611 HG12 VAL 75 HG12 VAL 75 0.524 -9.568 24.876 612 HG13 VAL 75 HG13 VAL 75 1.816 -10.123 23.811 613 HG21 VAL 75 HG21 VAL 75 -1.428 -10.119 24.760 614 HG22 VAL 75 HG22 VAL 75 -2.268 -10.757 23.347 615 HG23 VAL 75 HG23 VAL 75 -1.295 -11.830 24.352 616 H VAL 76 H VAL 76 0.648 -7.698 21.238 617 HA VAL 76 HA VAL 76 -0.943 -5.956 22.892 618 HB VAL 76 HB VAL 76 1.484 -5.635 21.198 619 HG11 VAL 76 HG11 VAL 76 0.172 -3.815 20.368 620 HG12 VAL 76 HG12 VAL 76 -0.328 -3.364 21.999 621 HG13 VAL 76 HG13 VAL 76 1.353 -3.162 21.504 622 HG21 VAL 76 HG21 VAL 76 2.026 -6.047 23.405 623 HG22 VAL 76 HG22 VAL 76 2.068 -4.284 23.345 624 HG23 VAL 76 HG23 VAL 76 0.665 -5.110 24.024 625 H LEU 77 H LEU 77 -0.278 -6.161 19.394 626 HA LEU 77 HA LEU 77 -2.251 -4.228 18.705 627 HB2 LEU 77 HB2 LEU 77 -1.898 -5.139 16.380 628 HB3 LEU 77 HB3 LEU 77 -0.474 -4.493 17.192 629 HG LEU 77 HG LEU 77 -0.550 -7.265 17.736 630 HD11 LEU 77 HD11 LEU 77 -0.887 -8.357 15.761 631 HD12 LEU 77 HD12 LEU 77 -0.516 -6.938 14.782 632 HD13 LEU 77 HD13 LEU 77 -2.076 -7.065 15.595 633 HD21 LEU 77 HD21 LEU 77 1.392 -5.665 17.480 634 HD22 LEU 77 HD22 LEU 77 1.198 -5.853 15.737 635 HD23 LEU 77 HD23 LEU 77 1.590 -7.253 16.737 636 H LYS 78 H LYS 78 -2.158 -7.771 18.636 637 HA LYS 78 HA LYS 78 -4.577 -8.299 17.416 638 HB2 LYS 78 HB2 LYS 78 -2.714 -9.888 18.355 639 HB3 LYS 78 HB3 LYS 78 -3.728 -9.915 19.792 640 HG2 LYS 78 HG2 LYS 78 -5.028 -10.441 17.179 641 HG3 LYS 78 HG3 LYS 78 -3.982 -11.693 17.852 642 HD2 LYS 78 HD2 LYS 78 -6.283 -10.397 19.312 643 HD3 LYS 78 HD3 LYS 78 -6.359 -11.960 18.495 644 HE2 LYS 78 HE2 LYS 78 -4.185 -12.325 20.053 645 HE3 LYS 78 HE3 LYS 78 -5.109 -11.211 21.059 646 HZ1 LYS 78 HZ1 LYS 78 -7.014 -12.729 20.856 647 HZ2 LYS 78 HZ2 LYS 78 -5.686 -13.459 21.608 648 HZ3 LYS 78 HZ3 LYS 78 -6.048 -13.819 19.995 649 H GLY 79 H GLY 79 -3.943 -7.585 20.832 650 HA2 GLY 79 HA2 GLY 79 -6.756 -7.777 21.504 651 HA3 GLY 79 HA3 GLY 79 -5.447 -7.347 22.595 652 H LEU 80 H LEU 80 -4.612 -5.333 20.414 653 HA LEU 80 HA LEU 80 -5.937 -3.098 21.588 654 HB2 LEU 80 HB2 LEU 80 -3.657 -3.565 19.951 655 HB3 LEU 80 HB3 LEU 80 -4.658 -2.344 19.170 656 HG LEU 80 HG LEU 80 -3.436 -0.931 20.423 657 HD11 LEU 80 HD11 LEU 80 -4.574 -0.207 22.312 658 HD12 LEU 80 HD12 LEU 80 -5.035 -1.842 22.784 659 HD13 LEU 80 HD13 LEU 80 -5.815 -1.071 21.403 660 HD21 LEU 80 HD21 LEU 80 -3.039 -3.064 22.518 661 HD22 LEU 80 HD22 LEU 80 -2.193 -1.520 22.401 662 HD23 LEU 80 HD23 LEU 80 -1.943 -2.759 21.170 663 H LYS 81 H LYS 81 -6.402 -4.994 18.707 664 HA LYS 81 HA LYS 81 -7.856 -3.291 17.095 665 HB2 LYS 81 HB2 LYS 81 -7.699 -6.213 17.470 666 HB3 LYS 81 HB3 LYS 81 -9.175 -5.639 16.706 667 HG2 LYS 81 HG2 LYS 81 -6.629 -4.558 15.663 668 HG3 LYS 81 HG3 LYS 81 -6.975 -6.258 15.337 669 HD2 LYS 81 HD2 LYS 81 -9.024 -4.128 14.821 670 HD3 LYS 81 HD3 LYS 81 -7.769 -4.496 13.634 671 HE2 LYS 81 HE2 LYS 81 -8.933 -6.936 14.558 672 HE3 LYS 81 HE3 LYS 81 -10.220 -5.836 14.068 673 HZ1 LYS 81 HZ1 LYS 81 -7.882 -6.601 12.404 674 HZ2 LYS 81 HZ2 LYS 81 -9.131 -5.562 11.933 675 HZ3 LYS 81 HZ3 LYS 81 -9.455 -7.197 12.222 676 H VAL 82 H VAL 82 -9.136 -5.458 19.619 677 HA VAL 82 HA VAL 82 -11.815 -4.647 19.401 678 HB VAL 82 HB VAL 82 -10.557 -5.574 21.974 679 HG11 VAL 82 HG11 VAL 82 -12.947 -6.853 21.671 680 HG12 VAL 82 HG12 VAL 82 -12.705 -5.359 22.579 681 HG13 VAL 82 HG13 VAL 82 -13.270 -5.296 20.909 682 HG21 VAL 82 HG21 VAL 82 -9.698 -7.131 20.441 683 HG22 VAL 82 HG22 VAL 82 -11.144 -7.899 21.097 684 HG23 VAL 82 HG23 VAL 82 -11.189 -7.155 19.499 685 H MET 83 H MET 83 -9.211 -2.831 20.312 686 HA MET 83 HA MET 83 -10.775 -1.162 22.159 687 HB2 MET 83 HB2 MET 83 -7.800 -1.126 21.622 688 HB3 MET 83 HB3 MET 83 -8.646 -0.167 22.829 689 HG2 MET 83 HG2 MET 83 -8.476 -3.172 22.797 690 HG3 MET 83 HG3 MET 83 -7.500 -2.099 23.798 691 HE1 MET 83 HE1 MET 83 -8.534 -0.231 25.008 692 HE2 MET 83 HE2 MET 83 -10.276 0.029 25.092 693 HE3 MET 83 HE3 MET 83 -9.438 -0.766 26.425 694 H ASN 84 H ASN 84 -9.949 -1.379 18.958 695 HA ASN 84 HA ASN 84 -10.138 0.043 17.192 696 HB2 ASN 84 HB2 ASN 84 -11.731 1.292 19.300 697 HB3 ASN 84 HB3 ASN 84 -11.087 2.460 18.150 698 HD21 ASN 84 HD21 ASN 84 -11.856 2.507 16.089 699 HD22 ASN 84 HD22 ASN 84 -13.196 1.558 15.550 700 H LEU 85 H LEU 85 -7.691 -0.099 18.626 701 HA LEU 85 HA LEU 85 -6.668 2.635 18.661 702 HB2 LEU 85 HB2 LEU 85 -5.858 0.058 19.804 703 HB3 LEU 85 HB3 LEU 85 -4.526 1.041 19.201 704 HG LEU 85 HG LEU 85 -4.704 1.543 21.490 705 HD11 LEU 85 HD11 LEU 85 -6.320 3.759 20.281 706 HD12 LEU 85 HD12 LEU 85 -4.641 3.485 19.817 707 HD13 LEU 85 HD13 LEU 85 -5.044 3.849 21.495 708 HD21 LEU 85 HD21 LEU 85 -6.570 1.274 22.661 709 HD22 LEU 85 HD22 LEU 85 -7.397 0.838 21.165 710 HD23 LEU 85 HD23 LEU 85 -7.397 2.514 21.717 711 H LEU 86 H LEU 86 -7.459 1.300 16.162 712 HA LEU 86 HA LEU 86 -5.361 0.327 14.654 713 HB2 LEU 86 HB2 LEU 86 -7.523 2.180 13.669 714 HB3 LEU 86 HB3 LEU 86 -6.581 1.049 12.698 715 HG LEU 86 HG LEU 86 -7.795 -0.535 14.639 716 HD11 LEU 86 HD11 LEU 86 -10.250 0.196 13.952 717 HD12 LEU 86 HD12 LEU 86 -9.489 1.786 13.910 718 HD13 LEU 86 HD13 LEU 86 -9.449 0.829 15.391 719 HD21 LEU 86 HD21 LEU 86 -8.787 -1.594 12.822 720 HD22 LEU 86 HD22 LEU 86 -7.361 -0.832 12.118 721 HD23 LEU 86 HD23 LEU 86 -8.950 -0.093 11.910 722 H GLU 87 H GLU 87 -5.845 3.502 15.863 723 HA GLU 87 HA GLU 87 -4.517 5.098 14.037 724 HB2 GLU 87 HB2 GLU 87 -5.637 6.083 15.920 725 HB3 GLU 87 HB3 GLU 87 -4.580 5.248 17.051 726 HG2 GLU 87 HG2 GLU 87 -3.922 7.541 16.926 727 HG3 GLU 87 HG3 GLU 87 -2.674 6.551 16.170 728 H LEU 88 H LEU 88 -2.886 4.309 17.073 729 HA LEU 88 HA LEU 88 -0.311 4.499 15.901 730 HB2 LEU 88 HB2 LEU 88 0.532 4.168 18.017 731 HB3 LEU 88 HB3 LEU 88 -1.062 4.842 18.353 732 HG LEU 88 HG LEU 88 -0.641 3.067 19.900 733 HD11 LEU 88 HD11 LEU 88 -2.714 2.259 19.759 734 HD12 LEU 88 HD12 LEU 88 -2.406 1.501 18.196 735 HD13 LEU 88 HD13 LEU 88 -2.854 3.205 18.277 736 HD21 LEU 88 HD21 LEU 88 0.868 1.944 17.908 737 HD22 LEU 88 HD22 LEU 88 -0.533 0.875 17.974 738 HD23 LEU 88 HD23 LEU 88 0.428 1.161 19.426 739 H VAL 89 H VAL 89 -2.540 1.890 16.365 740 HA VAL 89 HA VAL 89 -0.715 -0.267 16.197 741 HB VAL 89 HB VAL 89 -3.669 -0.034 15.706 742 HG11 VAL 89 HG11 VAL 89 -1.911 -2.432 15.245 743 HG12 VAL 89 HG12 VAL 89 -3.649 -2.552 15.526 744 HG13 VAL 89 HG13 VAL 89 -3.041 -1.678 14.120 745 HG21 VAL 89 HG21 VAL 89 -3.093 -1.988 17.605 746 HG22 VAL 89 HG22 VAL 89 -1.945 -0.689 17.928 747 HG23 VAL 89 HG23 VAL 89 -3.675 -0.351 17.910 748 H ASP 90 H ASP 90 -2.390 1.664 13.794 749 HA ASP 90 HA ASP 90 -2.244 0.215 11.513 750 HB2 ASP 90 HB2 ASP 90 -3.115 2.462 11.487 751 HB3 ASP 90 HB3 ASP 90 -1.533 3.129 11.880 752 H GLN 91 H GLN 91 0.444 2.169 12.801 753 HA GLN 91 HA GLN 91 2.295 1.127 10.869 754 HB2 GLN 91 HB2 GLN 91 3.985 2.347 12.334 755 HB3 GLN 91 HB3 GLN 91 2.741 3.331 11.575 756 HG2 GLN 91 HG2 GLN 91 2.350 4.181 13.581 757 HG3 GLN 91 HG3 GLN 91 1.632 2.627 14.004 758 HE21 GLN 91 HE21 GLN 91 2.258 3.060 16.176 759 HE22 GLN 91 HE22 GLN 91 3.884 2.786 16.690 760 H LEU 92 H LEU 92 2.229 0.959 14.435 761 HA LEU 92 HA LEU 92 4.182 -0.767 15.007 762 HB2 LEU 92 HB2 LEU 92 2.794 0.003 16.759 763 HB3 LEU 92 HB3 LEU 92 1.368 -0.761 16.061 764 HG LEU 92 HG LEU 92 2.450 -1.802 18.159 765 HD11 LEU 92 HD11 LEU 92 1.236 -3.605 17.660 766 HD12 LEU 92 HD12 LEU 92 2.206 -3.974 16.235 767 HD13 LEU 92 HD13 LEU 92 0.896 -2.800 16.128 768 HD21 LEU 92 HD21 LEU 92 4.716 -1.757 16.723 769 HD22 LEU 92 HD22 LEU 92 4.142 -3.375 16.321 770 HD23 LEU 92 HD23 LEU 92 4.404 -2.926 18.007 771 H SER 93 H SER 93 0.958 -1.836 13.930 772 HA SER 93 HA SER 93 1.548 -4.577 13.839 773 HB2 SER 93 HB2 SER 93 -0.571 -2.817 12.730 774 HB3 SER 93 HB3 SER 93 -0.374 -4.394 11.964 775 HG SER 93 HG SER 93 -1.856 -4.327 13.788 776 H HIS 94 H HIS 94 1.736 -2.073 11.338 777 HA HIS 94 HA HIS 94 2.594 -3.856 9.284 778 HB2 HIS 94 HB2 HIS 94 1.538 -1.427 9.172 779 HB3 HIS 94 HB3 HIS 94 3.230 -0.941 9.168 780 HD1 HIS 94 HD1 HIS 94 4.692 -2.271 7.214 781 HD2 HIS 94 HD2 HIS 94 0.582 -1.942 6.699 782 HE1 HIS 94 HE1 HIS 94 4.287 -2.664 4.763 783 H ILE 95 H ILE 95 4.121 -2.953 12.020 784 HA ILE 95 HA ILE 95 6.785 -2.871 10.775 785 HB ILE 95 HB ILE 95 5.895 -2.037 13.535 786 HG12 ILE 95 HG12 ILE 95 5.368 -0.452 11.724 787 HG13 ILE 95 HG13 ILE 95 6.589 0.195 12.815 788 HG21 ILE 95 HG21 ILE 95 8.666 -2.125 12.352 789 HG22 ILE 95 HG22 ILE 95 8.241 -1.316 13.859 790 HG23 ILE 95 HG23 ILE 95 8.067 -3.065 13.718 791 HD11 ILE 95 HD11 ILE 95 6.709 -0.155 9.998 792 HD12 ILE 95 HD12 ILE 95 7.896 0.576 11.079 793 HD13 ILE 95 HD13 ILE 95 7.951 -1.156 10.750 794 H CYS 96 H CYS 96 4.726 -4.646 12.952 795 HA CYS 96 HA CYS 96 6.906 -6.549 13.478 796 HB2 CYS 96 HB2 CYS 96 5.632 -5.459 15.414 797 HB3 CYS 96 HB3 CYS 96 4.266 -6.456 14.929 798 HG CYS 96 HG CYS 96 6.164 -8.787 15.118 799 H LEU 97 H LEU 97 4.936 -6.221 11.124 800 HA LEU 97 HA LEU 97 3.822 -7.568 9.669 801 HB2 LEU 97 HB2 LEU 97 5.505 -9.554 11.158 802 HB3 LEU 97 HB3 LEU 97 4.412 -10.058 9.871 803 HG LEU 97 HG LEU 97 7.076 -9.125 9.659 804 HD11 LEU 97 HD11 LEU 97 6.456 -9.456 7.160 805 HD12 LEU 97 HD12 LEU 97 4.928 -10.055 7.804 806 HD13 LEU 97 HD13 LEU 97 6.442 -10.840 8.252 807 HD21 LEU 97 HD21 LEU 97 6.161 -6.858 9.613 808 HD22 LEU 97 HD22 LEU 97 5.084 -7.317 8.294 809 HD23 LEU 97 HD23 LEU 97 6.831 -7.314 8.047 810 H HIS 98 H HIS 98 1.757 -7.092 10.470 811 HA HIS 98 HA HIS 98 0.603 -8.681 12.581 812 HB2 HIS 98 HB2 HIS 98 -1.401 -7.376 12.224 813 HB3 HIS 98 HB3 HIS 98 -0.010 -6.296 12.213 814 HD1 HIS 98 HD1 HIS 98 0.830 -5.600 9.719 815 HD2 HIS 98 HD2 HIS 98 -3.011 -7.150 10.047 816 HE1 HIS 98 HE1 HIS 98 -0.348 -4.934 7.599 817 H ASP 99 H ASP 99 0.823 -8.826 9.143 818 HA ASP 99 HA ASP 99 -1.428 -10.241 8.410 819 HB2 ASP 99 HB2 ASP 99 0.730 -9.421 7.069 820 HB3 ASP 99 HB3 ASP 99 1.167 -11.118 7.244 821 H TYR 100 H TYR 100 1.356 -11.323 10.198 822 HA TYR 100 HA TYR 100 0.836 -14.121 9.900 823 HB2 TYR 100 HB2 TYR 100 3.058 -12.929 10.529 824 HB3 TYR 100 HB3 TYR 100 2.415 -12.942 12.167 825 HD1 TYR 100 HD2 TYR 100 3.657 -15.019 9.408 826 HD2 TYR 100 HD1 TYR 100 2.229 -15.001 13.416 827 HE1 TYR 100 HE2 TYR 100 4.471 -17.321 9.702 828 HE2 TYR 100 HE1 TYR 100 3.041 -17.303 13.721 829 HH TYR 100 HH TYR 100 4.392 -19.145 11.038 830 H ARG 101 H ARG 101 -0.237 -11.615 12.045 831 HA ARG 101 HA ARG 101 -1.251 -13.431 14.047 832 HB2 ARG 101 HB2 ARG 101 -0.504 -11.270 14.792 833 HB3 ARG 101 HB3 ARG 101 -1.561 -10.454 13.647 834 HG2 ARG 101 HG2 ARG 101 -3.161 -12.141 15.276 835 HG3 ARG 101 HG3 ARG 101 -2.095 -11.201 16.322 836 HD2 ARG 101 HD2 ARG 101 -3.495 -9.491 16.086 837 HD3 ARG 101 HD3 ARG 101 -3.005 -9.401 14.395 838 HE ARG 101 HE ARG 101 -5.091 -11.317 14.928 839 HH11 ARG 101 HH11 ARG 101 -4.345 -8.011 14.133 840 HH12 ARG 101 HH12 ARG 101 -5.892 -7.695 13.420 841 HH21 ARG 101 HH21 ARG 101 -7.132 -10.914 13.993 842 HH22 ARG 101 HH22 ARG 101 -7.478 -9.347 13.342 843 H GLU 102 H GLU 102 -3.290 -14.182 14.262 844 HA GLU 102 HA GLU 102 -4.979 -14.476 12.115 845 HB2 GLU 102 HB2 GLU 102 -4.993 -15.229 14.807 846 HB3 GLU 102 HB3 GLU 102 -6.499 -14.352 14.580 847 HG2 GLU 102 HG2 GLU 102 -7.407 -15.983 13.356 848 HG3 GLU 102 HG3 GLU 102 -5.918 -16.271 12.457 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -5.810 9.218 13.661 2 HA2 GLY 1 HA2 GLY 1 -5.404 7.515 11.664 3 HA3 GLY 1 HA3 GLY 1 -5.624 9.005 10.759 4 H ALA 2 H ALA 2 -3.339 8.074 10.195 5 HA ALA 2 HA ALA 2 -1.388 9.326 12.018 6 HB1 ALA 2 HB1 ALA 2 -1.282 6.799 11.668 7 HB2 ALA 2 HB2 ALA 2 -0.700 7.171 10.045 8 HB3 ALA 2 HB3 ALA 2 0.212 7.712 11.454 9 H MET 3 H MET 3 -0.089 10.884 11.233 10 HA MET 3 HA MET 3 -0.003 11.296 8.323 11 HB2 MET 3 HB2 MET 3 -0.475 13.409 10.431 12 HB3 MET 3 HB3 MET 3 -0.108 13.758 8.748 13 HG2 MET 3 HG2 MET 3 -2.390 11.956 9.304 14 HG3 MET 3 HG3 MET 3 -2.584 13.667 9.680 15 HE1 MET 3 HE1 MET 3 -4.604 14.108 7.123 16 HE2 MET 3 HE2 MET 3 -3.779 14.819 8.510 17 HE3 MET 3 HE3 MET 3 -3.414 15.388 6.881 18 H ALA 4 H ALA 4 1.675 13.304 8.025 19 HA ALA 4 HA ALA 4 3.859 13.947 8.061 20 HB1 ALA 4 HB1 ALA 4 3.143 13.928 10.666 21 HB2 ALA 4 HB2 ALA 4 4.481 12.778 10.688 22 HB3 ALA 4 HB3 ALA 4 4.734 14.415 10.081 23 H MET 5 H MET 5 2.886 11.026 7.574 24 HA MET 5 HA MET 5 3.793 9.040 6.933 25 HB2 MET 5 HB2 MET 5 5.728 11.113 6.183 26 HB3 MET 5 HB3 MET 5 6.432 9.508 6.331 27 HG2 MET 5 HG2 MET 5 5.250 8.671 4.571 28 HG3 MET 5 HG3 MET 5 3.912 9.796 4.792 29 HE1 MET 5 HE1 MET 5 3.420 10.388 2.779 30 HE2 MET 5 HE2 MET 5 4.186 11.699 1.882 31 HE3 MET 5 HE3 MET 5 4.579 10.022 1.500 32 H ALA 6 H ALA 6 5.998 7.661 7.248 33 HA ALA 6 HA ALA 6 6.321 7.522 10.153 34 HB1 ALA 6 HB1 ALA 6 5.705 5.426 9.436 35 HB2 ALA 6 HB2 ALA 6 6.611 5.557 7.928 36 HB3 ALA 6 HB3 ALA 6 7.463 5.280 9.447 37 H LYS 7 H LYS 7 8.628 6.397 10.637 38 HA LYS 7 HA LYS 7 10.705 7.939 9.247 39 HB2 LYS 7 HB2 LYS 7 9.921 8.092 12.086 40 HB3 LYS 7 HB3 LYS 7 11.649 7.940 11.800 41 HG2 LYS 7 HG2 LYS 7 11.797 9.975 10.750 42 HG3 LYS 7 HG3 LYS 7 10.099 9.969 10.265 43 HD2 LYS 7 HD2 LYS 7 10.903 10.134 13.153 44 HD3 LYS 7 HD3 LYS 7 10.818 11.576 12.137 45 HE2 LYS 7 HE2 LYS 7 8.551 11.512 12.005 46 HE3 LYS 7 HE3 LYS 7 8.487 9.752 12.073 47 HZ1 LYS 7 HZ1 LYS 7 9.077 11.509 14.393 48 HZ2 LYS 7 HZ2 LYS 7 8.885 9.829 14.427 49 HZ3 LYS 7 HZ3 LYS 7 7.565 10.823 14.065 50 H ALA 8 H ALA 8 10.386 5.586 11.914 51 HA ALA 8 HA ALA 8 12.559 4.032 10.674 52 HB1 ALA 8 HB1 ALA 8 12.919 3.070 12.922 53 HB2 ALA 8 HB2 ALA 8 13.142 4.820 12.878 54 HB3 ALA 8 HB3 ALA 8 11.662 4.136 13.551 55 H ARG 9 H ARG 9 12.422 1.691 10.828 56 HA ARG 9 HA ARG 9 9.639 0.723 10.877 57 HB2 ARG 9 HB2 ARG 9 11.868 -0.288 9.103 58 HB3 ARG 9 HB3 ARG 9 10.197 -0.836 9.098 59 HG2 ARG 9 HG2 ARG 9 9.708 0.697 7.585 60 HG3 ARG 9 HG3 ARG 9 10.167 1.965 8.723 61 HD2 ARG 9 HD2 ARG 9 12.366 0.559 7.329 62 HD3 ARG 9 HD3 ARG 9 11.357 1.623 6.348 63 HE ARG 9 HE ARG 9 11.974 3.150 8.498 64 HH11 ARG 9 HH11 ARG 9 13.871 1.296 6.244 65 HH12 ARG 9 HH12 ARG 9 15.255 2.333 6.354 66 HH21 ARG 9 HH21 ARG 9 13.788 4.523 8.652 67 HH22 ARG 9 HH22 ARG 9 15.206 4.168 7.725 68 H LYS 10 H LYS 10 11.775 0.772 12.964 69 HA LYS 10 HA LYS 10 12.810 -1.830 13.330 70 HB2 LYS 10 HB2 LYS 10 12.294 0.441 15.247 71 HB3 LYS 10 HB3 LYS 10 13.031 -1.074 15.752 72 HG2 LYS 10 HG2 LYS 10 14.337 0.037 13.418 73 HG3 LYS 10 HG3 LYS 10 14.338 1.158 14.782 74 HD2 LYS 10 HD2 LYS 10 15.648 -0.197 16.070 75 HD3 LYS 10 HD3 LYS 10 15.037 -1.676 15.326 76 HE2 LYS 10 HE2 LYS 10 16.342 -1.220 13.321 77 HE3 LYS 10 HE3 LYS 10 16.922 0.288 14.026 78 HZ1 LYS 10 HZ1 LYS 10 17.600 -1.475 15.916 79 HZ2 LYS 10 HZ2 LYS 10 18.633 -0.985 14.670 80 HZ3 LYS 10 HZ3 LYS 10 17.768 -2.433 14.532 81 HA PRO 11 HA PRO 11 9.093 -3.939 14.509 82 HB2 PRO 11 HB2 PRO 11 10.277 -6.238 15.337 83 HB3 PRO 11 HB3 PRO 11 10.076 -5.821 13.631 84 HG2 PRO 11 HG2 PRO 11 12.490 -5.536 15.379 85 HG3 PRO 11 HG3 PRO 11 12.381 -6.117 13.707 86 HD2 PRO 11 HD2 PRO 11 13.174 -3.603 14.327 87 HD3 PRO 11 HD3 PRO 11 12.284 -3.984 12.839 88 H ARG 12 H ARG 12 11.825 -4.628 16.705 89 HA ARG 12 HA ARG 12 10.342 -5.031 19.005 90 HB2 ARG 12 HB2 ARG 12 13.004 -5.064 18.386 91 HB3 ARG 12 HB3 ARG 12 12.908 -3.660 19.440 92 HG2 ARG 12 HG2 ARG 12 11.840 -5.050 21.163 93 HG3 ARG 12 HG3 ARG 12 12.007 -6.454 20.107 94 HD2 ARG 12 HD2 ARG 12 14.246 -4.778 21.236 95 HD3 ARG 12 HD3 ARG 12 13.800 -6.407 21.742 96 HE ARG 12 HE ARG 12 14.398 -6.300 18.962 97 HH11 ARG 12 HH11 ARG 12 15.850 -6.387 22.124 98 HH12 ARG 12 HH12 ARG 12 17.320 -7.120 21.572 99 HH21 ARG 12 HH21 ARG 12 16.327 -7.265 18.223 100 HH22 ARG 12 HH22 ARG 12 17.590 -7.618 19.353 101 H GLU 13 H GLU 13 11.794 -2.008 17.825 102 HA GLU 13 HA GLU 13 10.901 -0.410 19.982 103 HB2 GLU 13 HB2 GLU 13 11.827 0.223 17.189 104 HB3 GLU 13 HB3 GLU 13 11.283 1.485 18.285 105 HG2 GLU 13 HG2 GLU 13 13.353 -0.416 19.242 106 HG3 GLU 13 HG3 GLU 13 13.820 0.828 18.084 107 H ALA 14 H ALA 14 9.279 -1.750 17.307 108 HA ALA 14 HA ALA 14 7.256 0.227 16.974 109 HB1 ALA 14 HB1 ALA 14 6.652 -1.033 15.242 110 HB2 ALA 14 HB2 ALA 14 8.019 -2.077 15.635 111 HB3 ALA 14 HB3 ALA 14 6.414 -2.451 16.264 112 H LEU 15 H LEU 15 7.529 -2.723 18.897 113 HA LEU 15 HA LEU 15 4.840 -2.673 19.840 114 HB2 LEU 15 HB2 LEU 15 5.397 -4.512 21.129 115 HB3 LEU 15 HB3 LEU 15 6.493 -4.639 19.755 116 HG LEU 15 HG LEU 15 8.043 -3.273 21.504 117 HD11 LEU 15 HD11 LEU 15 7.062 -3.291 23.513 118 HD12 LEU 15 HD12 LEU 15 7.550 -4.984 23.571 119 HD13 LEU 15 HD13 LEU 15 5.921 -4.554 23.053 120 HD21 LEU 15 HD21 LEU 15 9.323 -5.179 21.578 121 HD22 LEU 15 HD22 LEU 15 8.301 -5.516 20.180 122 HD23 LEU 15 HD23 LEU 15 7.927 -6.243 21.744 123 H LEU 16 H LEU 16 7.905 -1.421 21.031 124 HA LEU 16 HA LEU 16 6.980 -0.679 23.606 125 HB2 LEU 16 HB2 LEU 16 9.205 0.669 22.104 126 HB3 LEU 16 HB3 LEU 16 9.016 0.494 23.847 127 HG LEU 16 HG LEU 16 9.489 -1.852 22.021 128 HD11 LEU 16 HD11 LEU 16 11.288 0.201 22.403 129 HD12 LEU 16 HD12 LEU 16 11.676 -1.449 21.918 130 HD13 LEU 16 HD13 LEU 16 11.756 -0.989 23.618 131 HD21 LEU 16 HD21 LEU 16 9.088 -1.451 24.879 132 HD22 LEU 16 HD22 LEU 16 10.552 -2.361 24.505 133 HD23 LEU 16 HD23 LEU 16 8.988 -2.925 23.914 134 H TRP 17 H TRP 17 7.276 1.080 20.544 135 HA TRP 17 HA TRP 17 6.318 3.548 21.623 136 HB2 TRP 17 HB2 TRP 17 7.696 2.939 19.393 137 HB3 TRP 17 HB3 TRP 17 6.075 3.037 18.710 138 HD1 TRP 17 HD1 TRP 17 4.870 5.440 18.747 139 HE1 TRP 17 HE1 TRP 17 5.823 7.823 18.945 140 HE3 TRP 17 HE3 TRP 17 9.542 4.303 20.483 141 HZ2 TRP 17 HZ2 TRP 17 8.236 9.057 19.733 142 HZ3 TRP 17 HZ3 TRP 17 11.113 6.143 20.934 143 HH2 TRP 17 HH2 TRP 17 10.471 8.470 20.565 144 H ALA 18 H ALA 18 4.860 0.770 20.077 145 HA ALA 18 HA ALA 18 2.323 2.003 19.602 146 HB1 ALA 18 HB1 ALA 18 2.933 -0.942 19.781 147 HB2 ALA 18 HB2 ALA 18 1.560 -0.178 18.978 148 HB3 ALA 18 HB3 ALA 18 3.189 0.038 18.337 149 H LEU 19 H LEU 19 3.269 -0.598 21.859 150 HA LEU 19 HA LEU 19 0.972 -0.725 23.354 151 HB2 LEU 19 HB2 LEU 19 2.238 -1.753 25.067 152 HB3 LEU 19 HB3 LEU 19 2.986 -2.200 23.536 153 HG LEU 19 HG LEU 19 4.586 -0.202 24.061 154 HD11 LEU 19 HD11 LEU 19 4.896 -0.385 26.692 155 HD12 LEU 19 HD12 LEU 19 3.153 -0.642 26.617 156 HD13 LEU 19 HD13 LEU 19 3.856 0.829 25.947 157 HD21 LEU 19 HD21 LEU 19 6.129 -1.718 25.050 158 HD22 LEU 19 HD22 LEU 19 5.123 -2.651 23.941 159 HD23 LEU 19 HD23 LEU 19 4.828 -2.731 25.679 160 H SER 20 H SER 20 3.474 1.700 23.441 161 HA SER 20 HA SER 20 2.411 2.919 25.858 162 HB2 SER 20 HB2 SER 20 4.362 4.115 25.972 163 HB3 SER 20 HB3 SER 20 4.933 2.779 24.972 164 HG SER 20 HG SER 20 4.728 5.401 24.364 165 H ASP 21 H ASP 21 2.059 3.168 22.461 166 HA ASP 21 HA ASP 21 1.318 5.886 22.246 167 HB2 ASP 21 HB2 ASP 21 1.554 3.665 20.510 168 HB3 ASP 21 HB3 ASP 21 -0.087 4.278 20.327 169 H LEU 22 H LEU 22 -0.463 2.976 23.062 170 HA LEU 22 HA LEU 22 -3.025 4.305 22.996 171 HB2 LEU 22 HB2 LEU 22 -3.626 2.053 24.235 172 HB3 LEU 22 HB3 LEU 22 -3.362 2.118 22.494 173 HG LEU 22 HG LEU 22 -0.988 1.515 24.146 174 HD11 LEU 22 HD11 LEU 22 -1.564 -0.709 24.645 175 HD12 LEU 22 HD12 LEU 22 -3.041 -0.629 23.686 176 HD13 LEU 22 HD13 LEU 22 -2.926 0.263 25.202 177 HD21 LEU 22 HD21 LEU 22 -1.012 1.595 21.662 178 HD22 LEU 22 HD22 LEU 22 -2.118 0.221 21.669 179 HD23 LEU 22 HD23 LEU 22 -0.487 0.044 22.317 180 H GLU 23 H GLU 23 -4.442 4.384 24.895 181 HA GLU 23 HA GLU 23 -3.111 5.605 27.106 182 HB2 GLU 23 HB2 GLU 23 -5.991 4.916 26.550 183 HB3 GLU 23 HB3 GLU 23 -5.480 5.633 28.071 184 HG2 GLU 23 HG2 GLU 23 -4.406 7.452 26.600 185 HG3 GLU 23 HG3 GLU 23 -5.449 6.819 25.328 186 H GLU 24 H GLU 24 -3.682 4.970 29.397 187 HA GLU 24 HA GLU 24 -2.761 2.324 29.868 188 HB2 GLU 24 HB2 GLU 24 -3.406 2.934 32.296 189 HB3 GLU 24 HB3 GLU 24 -2.122 3.845 31.514 190 HG2 GLU 24 HG2 GLU 24 -3.362 5.752 31.377 191 HG3 GLU 24 HG3 GLU 24 -4.895 4.885 31.318 192 H ASN 25 H ASN 25 -5.921 3.859 29.927 193 HA ASN 25 HA ASN 25 -7.276 1.639 31.112 194 HB2 ASN 25 HB2 ASN 25 -9.244 2.875 30.841 195 HB3 ASN 25 HB3 ASN 25 -8.012 4.121 31.021 196 HD21 ASN 25 HD21 ASN 25 -10.516 2.944 29.123 197 HD22 ASN 25 HD22 ASN 25 -10.271 3.939 27.732 198 H ASP 26 H ASP 26 -5.722 1.731 28.312 199 HA ASP 26 HA ASP 26 -7.738 0.139 26.869 200 HB2 ASP 26 HB2 ASP 26 -5.535 1.938 25.903 201 HB3 ASP 26 HB3 ASP 26 -6.157 0.655 24.868 202 H PHE 27 H PHE 27 -4.207 0.412 27.296 203 HA PHE 27 HA PHE 27 -3.560 -2.121 26.311 204 HB2 PHE 27 HB2 PHE 27 -1.971 -0.207 26.792 205 HB3 PHE 27 HB3 PHE 27 -2.048 -0.674 28.487 206 HD1 PHE 27 HD2 PHE 27 -2.361 -3.570 26.573 207 HD2 PHE 27 HD1 PHE 27 0.527 -0.722 27.860 208 HE1 PHE 27 HE2 PHE 27 -0.574 -5.218 26.196 209 HE2 PHE 27 HE1 PHE 27 2.320 -2.365 27.485 210 HZ PHE 27 HZ PHE 27 1.770 -4.617 26.653 211 H LYS 28 H LYS 28 -4.088 -1.062 29.665 212 HA LYS 28 HA LYS 28 -3.617 -3.457 30.965 213 HB2 LYS 28 HB2 LYS 28 -3.922 -1.633 32.376 214 HB3 LYS 28 HB3 LYS 28 -5.388 -1.114 31.555 215 HG2 LYS 28 HG2 LYS 28 -6.071 -1.942 33.646 216 HG3 LYS 28 HG3 LYS 28 -6.488 -3.194 32.473 217 HD2 LYS 28 HD2 LYS 28 -5.066 -4.677 33.379 218 HD3 LYS 28 HD3 LYS 28 -3.802 -3.467 33.608 219 HE2 LYS 28 HE2 LYS 28 -4.284 -3.880 35.790 220 HE3 LYS 28 HE3 LYS 28 -5.488 -2.629 35.483 221 HZ1 LYS 28 HZ1 LYS 28 -7.002 -4.092 36.133 222 HZ2 LYS 28 HZ2 LYS 28 -5.875 -5.352 36.188 223 HZ3 LYS 28 HZ3 LYS 28 -6.677 -4.997 34.741 224 H LYS 29 H LYS 29 -6.653 -2.278 29.550 225 HA LYS 29 HA LYS 29 -8.333 -4.346 30.311 226 HB2 LYS 29 HB2 LYS 29 -8.325 -2.266 28.258 227 HB3 LYS 29 HB3 LYS 29 -9.200 -3.709 27.764 228 HG2 LYS 29 HG2 LYS 29 -10.830 -2.390 28.753 229 HG3 LYS 29 HG3 LYS 29 -10.387 -3.524 30.032 230 HD2 LYS 29 HD2 LYS 29 -8.646 -1.301 30.230 231 HD3 LYS 29 HD3 LYS 29 -10.286 -0.672 30.051 232 HE2 LYS 29 HE2 LYS 29 -9.450 -2.763 32.057 233 HE3 LYS 29 HE3 LYS 29 -9.623 -1.045 32.410 234 HZ1 LYS 29 HZ1 LYS 29 -11.714 -1.565 32.920 235 HZ2 LYS 29 HZ2 LYS 29 -11.642 -3.071 32.154 236 HZ3 LYS 29 HZ3 LYS 29 -11.988 -1.681 31.254 237 H LEU 30 H LEU 30 -5.946 -4.229 27.753 238 HA LEU 30 HA LEU 30 -6.795 -6.652 26.484 239 HB2 LEU 30 HB2 LEU 30 -4.008 -5.671 26.201 240 HB3 LEU 30 HB3 LEU 30 -5.114 -6.298 24.980 241 HG LEU 30 HG LEU 30 -5.150 -3.533 26.188 242 HD11 LEU 30 HD11 LEU 30 -4.770 -4.157 23.297 243 HD12 LEU 30 HD12 LEU 30 -3.402 -4.285 24.402 244 HD13 LEU 30 HD13 LEU 30 -4.251 -2.749 24.224 245 HD21 LEU 30 HD21 LEU 30 -7.316 -3.534 25.662 246 HD22 LEU 30 HD22 LEU 30 -7.190 -5.067 24.798 247 HD23 LEU 30 HD23 LEU 30 -6.798 -3.555 23.976 248 H LYS 31 H LYS 31 -3.947 -5.816 28.462 249 HA LYS 31 HA LYS 31 -2.896 -8.383 28.690 250 HB2 LYS 31 HB2 LYS 31 -2.771 -6.038 30.588 251 HB3 LYS 31 HB3 LYS 31 -1.836 -7.511 30.809 252 HG2 LYS 31 HG2 LYS 31 -1.651 -5.579 28.508 253 HG3 LYS 31 HG3 LYS 31 -0.456 -5.841 29.780 254 HD2 LYS 31 HD2 LYS 31 -0.731 -8.358 28.825 255 HD3 LYS 31 HD3 LYS 31 -1.031 -7.420 27.360 256 HE2 LYS 31 HE2 LYS 31 1.316 -7.918 27.497 257 HE3 LYS 31 HE3 LYS 31 1.084 -6.193 27.775 258 HZ1 LYS 31 HZ1 LYS 31 2.647 -7.056 29.354 259 HZ2 LYS 31 HZ2 LYS 31 1.572 -8.266 29.844 260 HZ3 LYS 31 HZ3 LYS 31 1.227 -6.643 30.176 261 H PHE 32 H PHE 32 -5.601 -6.916 30.287 262 HA PHE 32 HA PHE 32 -5.769 -8.665 32.506 263 HB2 PHE 32 HB2 PHE 32 -7.011 -6.388 31.932 264 HB3 PHE 32 HB3 PHE 32 -8.243 -7.490 31.325 265 HD1 PHE 32 HD2 PHE 32 -6.028 -7.300 34.328 266 HD2 PHE 32 HD1 PHE 32 -9.952 -7.886 32.786 267 HE1 PHE 32 HE2 PHE 32 -6.878 -7.603 36.616 268 HE2 PHE 32 HE1 PHE 32 -10.809 -8.189 35.073 269 HZ PHE 32 HZ PHE 32 -9.271 -8.049 36.992 270 H TYR 33 H TYR 33 -7.417 -8.665 29.354 271 HA TYR 33 HA TYR 33 -8.477 -11.329 29.897 272 HB2 TYR 33 HB2 TYR 33 -9.420 -9.106 28.451 273 HB3 TYR 33 HB3 TYR 33 -9.075 -10.347 27.252 274 HD1 TYR 33 HD1 TYR 33 -9.780 -12.820 28.573 275 HD2 TYR 33 HD2 TYR 33 -11.711 -9.034 28.760 276 HE1 TYR 33 HE1 TYR 33 -11.903 -13.937 29.115 277 HE2 TYR 33 HE2 TYR 33 -13.840 -10.140 29.304 278 HH TYR 33 HH TYR 33 -14.902 -12.309 29.057 279 H LEU 34 H LEU 34 -6.649 -9.704 27.302 280 HA LEU 34 HA LEU 34 -6.006 -11.925 25.789 281 HB2 LEU 34 HB2 LEU 34 -4.608 -9.325 26.278 282 HB3 LEU 34 HB3 LEU 34 -3.866 -10.558 25.262 283 HG LEU 34 HG LEU 34 -5.025 -8.859 23.939 284 HD11 LEU 34 HD11 LEU 34 -5.638 -11.710 23.880 285 HD12 LEU 34 HD12 LEU 34 -5.131 -10.630 22.582 286 HD13 LEU 34 HD13 LEU 34 -6.830 -10.713 23.046 287 HD21 LEU 34 HD21 LEU 34 -7.629 -9.852 25.043 288 HD22 LEU 34 HD22 LEU 34 -7.302 -8.397 24.102 289 HD23 LEU 34 HD23 LEU 34 -6.779 -8.495 25.784 290 H ARG 35 H ARG 35 -3.903 -10.409 28.245 291 HA ARG 35 HA ARG 35 -1.965 -12.429 28.258 292 HB2 ARG 35 HB2 ARG 35 -2.287 -9.987 29.501 293 HB3 ARG 35 HB3 ARG 35 -2.351 -11.120 30.844 294 HG2 ARG 35 HG2 ARG 35 -0.208 -12.117 29.847 295 HG3 ARG 35 HG3 ARG 35 -0.119 -10.622 28.914 296 HD2 ARG 35 HD2 ARG 35 1.193 -10.354 30.902 297 HD3 ARG 35 HD3 ARG 35 -0.250 -9.352 31.046 298 HE ARG 35 HE ARG 35 0.327 -11.802 32.538 299 HH11 ARG 35 HH11 ARG 35 -1.774 -9.104 31.891 300 HH12 ARG 35 HH12 ARG 35 -2.700 -9.308 33.341 301 HH21 ARG 35 HH21 ARG 35 -0.883 -12.082 34.451 302 HH22 ARG 35 HH22 ARG 35 -2.191 -11.002 34.797 303 H ASP 36 H ASP 36 -5.054 -12.191 29.835 304 HA ASP 36 HA ASP 36 -4.727 -14.062 31.884 305 HB2 ASP 36 HB2 ASP 36 -6.902 -12.657 30.645 306 HB3 ASP 36 HB3 ASP 36 -7.359 -14.342 30.880 307 H MET 37 H MET 37 -6.031 -14.566 28.602 308 HA MET 37 HA MET 37 -5.842 -17.447 28.950 309 HB2 MET 37 HB2 MET 37 -7.507 -15.740 27.460 310 HB3 MET 37 HB3 MET 37 -6.556 -16.628 26.278 311 HG2 MET 37 HG2 MET 37 -7.246 -18.736 27.374 312 HG3 MET 37 HG3 MET 37 -8.285 -17.797 28.443 313 HE1 MET 37 HE1 MET 37 -10.824 -19.269 27.209 314 HE2 MET 37 HE2 MET 37 -10.346 -17.956 28.284 315 HE3 MET 37 HE3 MET 37 -11.414 -17.632 26.918 316 H THR 38 H THR 38 -4.821 -15.200 26.371 317 HA THR 38 HA THR 38 -3.115 -16.790 24.979 318 HB THR 38 HB THR 38 -2.011 -14.864 24.162 319 HG1 THR 38 HG1 THR 38 -2.668 -13.756 26.683 320 HG21 THR 38 HG21 THR 38 -4.315 -13.250 24.775 321 HG22 THR 38 HG22 THR 38 -4.802 -14.913 24.446 322 HG23 THR 38 HG23 THR 38 -3.862 -14.017 23.253 323 H LEU 39 H LEU 39 -2.385 -15.071 27.984 324 HA LEU 39 HA LEU 39 0.188 -16.495 28.110 325 HB2 LEU 39 HB2 LEU 39 -0.720 -13.832 29.051 326 HB3 LEU 39 HB3 LEU 39 0.473 -14.681 30.031 327 HG LEU 39 HG LEU 39 1.850 -14.859 27.884 328 HD11 LEU 39 HD11 LEU 39 0.356 -14.326 26.178 329 HD12 LEU 39 HD12 LEU 39 1.334 -12.869 26.350 330 HD13 LEU 39 HD13 LEU 39 -0.286 -12.931 27.045 331 HD21 LEU 39 HD21 LEU 39 1.783 -13.011 29.904 332 HD22 LEU 39 HD22 LEU 39 1.714 -11.999 28.462 333 HD23 LEU 39 HD23 LEU 39 3.042 -13.140 28.676 334 H SER 40 H SER 40 0.834 -17.442 30.094 335 HA SER 40 HA SER 40 -1.439 -18.315 31.726 336 HB2 SER 40 HB2 SER 40 -0.082 -20.197 32.379 337 HB3 SER 40 HB3 SER 40 0.033 -20.028 30.627 338 HG SER 40 HG SER 40 1.985 -18.636 31.327 339 H GLU 41 H GLU 41 -0.983 -15.868 32.455 340 HA GLU 41 HA GLU 41 -0.275 -14.428 34.084 341 HB2 GLU 41 HB2 GLU 41 -0.223 -16.884 35.834 342 HB3 GLU 41 HB3 GLU 41 -0.565 -15.227 36.311 343 HG2 GLU 41 HG2 GLU 41 -2.655 -15.262 35.124 344 HG3 GLU 41 HG3 GLU 41 -2.301 -16.864 34.479 345 H GLY 42 H GLY 42 1.328 -14.822 36.353 346 HA2 GLY 42 HA2 GLY 42 3.569 -15.735 36.831 347 HA3 GLY 42 HA3 GLY 42 3.934 -15.493 35.128 348 H GLN 43 H GLN 43 2.705 -12.909 34.909 349 HA GLN 43 HA GLN 43 4.854 -11.339 36.061 350 HB2 GLN 43 HB2 GLN 43 4.128 -9.570 34.609 351 HB3 GLN 43 HB3 GLN 43 4.141 -11.067 33.685 352 HG2 GLN 43 HG2 GLN 43 1.900 -11.082 33.409 353 HG3 GLN 43 HG3 GLN 43 1.590 -10.339 34.977 354 HE21 GLN 43 HE21 GLN 43 3.052 -9.560 31.840 355 HE22 GLN 43 HE22 GLN 43 2.423 -7.954 31.753 356 HA PRO 44 HA PRO 44 2.650 -9.465 39.356 357 HB2 PRO 44 HB2 PRO 44 3.477 -6.882 39.235 358 HB3 PRO 44 HB3 PRO 44 4.523 -8.201 39.773 359 HG2 PRO 44 HG2 PRO 44 4.380 -6.869 37.096 360 HG3 PRO 44 HG3 PRO 44 5.807 -7.350 38.031 361 HD2 PRO 44 HD2 PRO 44 4.857 -8.818 35.964 362 HD3 PRO 44 HD3 PRO 44 5.653 -9.553 37.370 363 HA PRO 45 HA PRO 45 -1.053 -7.440 38.120 364 HB2 PRO 45 HB2 PRO 45 -1.509 -5.679 40.135 365 HB3 PRO 45 HB3 PRO 45 -1.696 -7.426 40.326 366 HG2 PRO 45 HG2 PRO 45 0.594 -5.669 41.119 367 HG3 PRO 45 HG3 PRO 45 -0.162 -6.996 42.020 368 HD2 PRO 45 HD2 PRO 45 2.160 -7.297 40.661 369 HD3 PRO 45 HD3 PRO 45 0.986 -8.615 40.847 370 H LEU 46 H LEU 46 -1.608 -5.861 36.740 371 HA LEU 46 HA LEU 46 0.273 -3.786 36.123 372 HB2 LEU 46 HB2 LEU 46 -2.509 -4.270 35.069 373 HB3 LEU 46 HB3 LEU 46 -1.335 -3.145 34.390 374 HG LEU 46 HG LEU 46 -0.511 -5.984 34.590 375 HD11 LEU 46 HD11 LEU 46 -2.284 -5.135 32.329 376 HD12 LEU 46 HD12 LEU 46 -2.944 -5.890 33.779 377 HD13 LEU 46 HD13 LEU 46 -1.770 -6.757 32.790 378 HD21 LEU 46 HD21 LEU 46 0.046 -5.069 32.087 379 HD22 LEU 46 HD22 LEU 46 1.129 -4.940 33.473 380 HD23 LEU 46 HD23 LEU 46 0.097 -3.580 33.030 381 H ALA 47 H ALA 47 -0.348 -1.496 35.947 382 HA ALA 47 HA ALA 47 -2.492 -0.602 37.697 383 HB1 ALA 47 HB1 ALA 47 -0.773 -0.800 39.317 384 HB2 ALA 47 HB2 ALA 47 0.411 -0.038 38.254 385 HB3 ALA 47 HB3 ALA 47 -0.908 0.916 38.932 386 H ARG 48 H ARG 48 -2.208 1.987 37.835 387 HA ARG 48 HA ARG 48 -2.560 2.882 35.151 388 HB2 ARG 48 HB2 ARG 48 -2.707 5.168 36.316 389 HB3 ARG 48 HB3 ARG 48 -3.924 3.964 36.718 390 HG2 ARG 48 HG2 ARG 48 -3.312 3.902 38.858 391 HG3 ARG 48 HG3 ARG 48 -1.594 3.848 38.457 392 HD2 ARG 48 HD2 ARG 48 -1.658 5.888 39.462 393 HD3 ARG 48 HD3 ARG 48 -2.054 6.380 37.816 394 HE ARG 48 HE ARG 48 -4.381 5.749 39.342 395 HH11 ARG 48 HH11 ARG 48 -2.009 8.222 38.727 396 HH12 ARG 48 HH12 ARG 48 -3.058 9.524 39.183 397 HH21 ARG 48 HH21 ARG 48 -5.771 7.454 39.946 398 HH22 ARG 48 HH22 ARG 48 -5.197 9.085 39.877 399 H GLY 49 H GLY 49 -0.045 3.330 37.603 400 HA2 GLY 49 HA2 GLY 49 1.519 5.062 35.905 401 HA3 GLY 49 HA3 GLY 49 1.994 4.428 37.473 402 H GLU 50 H GLU 50 0.980 1.806 35.833 403 HA GLU 50 HA GLU 50 3.608 0.800 35.454 404 HB2 GLU 50 HB2 GLU 50 0.885 -0.213 35.303 405 HB3 GLU 50 HB3 GLU 50 1.904 -0.878 34.034 406 HG2 GLU 50 HG2 GLU 50 2.786 -0.869 36.895 407 HG3 GLU 50 HG3 GLU 50 1.746 -2.139 36.253 408 H LEU 51 H LEU 51 1.220 2.232 33.334 409 HA LEU 51 HA LEU 51 2.938 1.736 31.009 410 HB2 LEU 51 HB2 LEU 51 0.587 1.121 30.788 411 HB3 LEU 51 HB3 LEU 51 0.111 2.774 31.174 412 HG LEU 51 HG LEU 51 1.331 3.487 29.082 413 HD11 LEU 51 HD11 LEU 51 1.737 0.567 28.968 414 HD12 LEU 51 HD12 LEU 51 2.722 1.880 28.324 415 HD13 LEU 51 HD13 LEU 51 1.280 1.353 27.457 416 HD21 LEU 51 HD21 LEU 51 -1.087 1.702 28.989 417 HD22 LEU 51 HD22 LEU 51 -0.502 2.584 27.578 418 HD23 LEU 51 HD23 LEU 51 -1.025 3.465 29.015 419 H GLU 52 H GLU 52 1.152 4.386 32.580 420 HA GLU 52 HA GLU 52 2.414 6.409 31.003 421 HB2 GLU 52 HB2 GLU 52 0.194 6.774 31.932 422 HB3 GLU 52 HB3 GLU 52 0.822 6.597 33.565 423 HG2 GLU 52 HG2 GLU 52 0.535 8.907 33.188 424 HG3 GLU 52 HG3 GLU 52 2.268 8.594 33.125 425 H GLY 53 H GLY 53 2.675 5.506 34.446 426 HA2 GLY 53 HA2 GLY 53 4.768 7.257 35.083 427 HA3 GLY 53 HA3 GLY 53 4.382 5.781 35.954 428 H LEU 54 H LEU 54 5.004 3.750 34.465 429 HA LEU 54 HA LEU 54 7.859 3.862 34.280 430 HB2 LEU 54 HB2 LEU 54 6.089 1.616 33.352 431 HB3 LEU 54 HB3 LEU 54 7.774 1.529 33.861 432 HG LEU 54 HG LEU 54 5.359 1.973 35.608 433 HD11 LEU 54 HD11 LEU 54 7.111 -0.313 34.966 434 HD12 LEU 54 HD12 LEU 54 5.413 -0.278 35.440 435 HD13 LEU 54 HD13 LEU 54 6.673 -0.109 36.662 436 HD21 LEU 54 HD21 LEU 54 6.900 3.317 36.668 437 HD22 LEU 54 HD22 LEU 54 8.275 2.352 36.128 438 HD23 LEU 54 HD23 LEU 54 7.228 1.753 37.416 439 H ILE 55 H ILE 55 8.482 2.227 32.165 440 HA ILE 55 HA ILE 55 7.641 3.806 29.823 441 HB ILE 55 HB ILE 55 9.929 3.330 28.885 442 HG12 ILE 55 HG12 ILE 55 10.406 2.466 31.741 443 HG13 ILE 55 HG13 ILE 55 10.632 1.506 30.283 444 HG21 ILE 55 HG21 ILE 55 9.135 5.474 30.041 445 HG22 ILE 55 HG22 ILE 55 10.117 4.943 31.405 446 HG23 ILE 55 HG23 ILE 55 10.872 5.242 29.840 447 HD11 ILE 55 HD11 ILE 55 12.380 3.528 31.514 448 HD12 ILE 55 HD12 ILE 55 12.783 2.067 30.610 449 HD13 ILE 55 HD13 ILE 55 12.303 3.531 29.752 450 HA PRO 56 HA PRO 56 6.620 0.080 27.741 451 HB2 PRO 56 HB2 PRO 56 7.399 0.618 25.197 452 HB3 PRO 56 HB3 PRO 56 5.989 1.373 25.950 453 HG2 PRO 56 HG2 PRO 56 8.756 2.460 25.593 454 HG3 PRO 56 HG3 PRO 56 7.197 3.270 25.356 455 HD2 PRO 56 HD2 PRO 56 8.692 3.613 27.587 456 HD3 PRO 56 HD3 PRO 56 6.918 3.667 27.609 457 H VAL 57 H VAL 57 9.886 1.293 27.082 458 HA VAL 57 HA VAL 57 10.929 -1.132 26.069 459 HB VAL 57 HB VAL 57 12.399 1.144 27.408 460 HG11 VAL 57 HG11 VAL 57 13.326 -1.245 25.850 461 HG12 VAL 57 HG12 VAL 57 14.287 0.233 25.923 462 HG13 VAL 57 HG13 VAL 57 13.900 -0.643 27.404 463 HG21 VAL 57 HG21 VAL 57 12.241 2.313 25.512 464 HG22 VAL 57 HG22 VAL 57 12.596 0.903 24.514 465 HG23 VAL 57 HG23 VAL 57 10.947 1.200 25.066 466 H ASP 58 H ASP 58 10.173 -0.096 29.240 467 HA ASP 58 HA ASP 58 11.957 -2.030 30.500 468 HB2 ASP 58 HB2 ASP 58 11.663 0.236 31.490 469 HB3 ASP 58 HB3 ASP 58 9.968 -0.146 31.783 470 H LEU 59 H LEU 59 8.473 -1.266 30.653 471 HA LEU 59 HA LEU 59 7.701 -3.634 31.927 472 HB2 LEU 59 HB2 LEU 59 5.754 -2.581 31.947 473 HB3 LEU 59 HB3 LEU 59 6.450 -1.333 30.916 474 HG LEU 59 HG LEU 59 5.264 -3.812 29.721 475 HD11 LEU 59 HD11 LEU 59 3.116 -2.758 29.586 476 HD12 LEU 59 HD12 LEU 59 3.726 -1.307 30.381 477 HD13 LEU 59 HD13 LEU 59 3.604 -2.820 31.280 478 HD21 LEU 59 HD21 LEU 59 6.621 -1.694 28.652 479 HD22 LEU 59 HD22 LEU 59 4.940 -1.205 28.439 480 HD23 LEU 59 HD23 LEU 59 5.504 -2.738 27.772 481 H ALA 60 H ALA 60 8.158 -2.872 28.529 482 HA ALA 60 HA ALA 60 6.942 -5.180 27.453 483 HB1 ALA 60 HB1 ALA 60 8.171 -4.651 25.410 484 HB2 ALA 60 HB2 ALA 60 7.432 -3.207 26.104 485 HB3 ALA 60 HB3 ALA 60 9.161 -3.494 26.301 486 H GLU 61 H GLU 61 10.273 -4.485 28.437 487 HA GLU 61 HA GLU 61 11.503 -6.797 27.512 488 HB2 GLU 61 HB2 GLU 61 12.075 -4.778 29.585 489 HB3 GLU 61 HB3 GLU 61 12.868 -6.330 29.816 490 HG2 GLU 61 HG2 GLU 61 13.017 -5.174 27.107 491 HG3 GLU 61 HG3 GLU 61 13.912 -4.337 28.374 492 H LEU 62 H LEU 62 9.668 -6.237 30.467 493 HA LEU 62 HA LEU 62 10.242 -8.787 31.616 494 HB2 LEU 62 HB2 LEU 62 9.645 -7.030 33.090 495 HB3 LEU 62 HB3 LEU 62 8.170 -6.685 32.188 496 HG LEU 62 HG LEU 62 8.306 -9.390 33.324 497 HD11 LEU 62 HD11 LEU 62 9.418 -8.215 35.121 498 HD12 LEU 62 HD12 LEU 62 7.771 -8.623 35.600 499 HD13 LEU 62 HD13 LEU 62 8.166 -6.973 35.120 500 HD21 LEU 62 HD21 LEU 62 6.044 -9.137 33.496 501 HD22 LEU 62 HD22 LEU 62 6.372 -7.984 32.202 502 HD23 LEU 62 HD23 LEU 62 6.151 -7.413 33.857 503 H LEU 63 H LEU 63 7.548 -7.447 29.754 504 HA LEU 63 HA LEU 63 5.831 -9.657 29.926 505 HB2 LEU 63 HB2 LEU 63 5.315 -7.329 29.072 506 HB3 LEU 63 HB3 LEU 63 6.061 -7.823 27.553 507 HG LEU 63 HG LEU 63 3.496 -7.902 27.763 508 HD11 LEU 63 HD11 LEU 63 3.480 -9.334 26.018 509 HD12 LEU 63 HD12 LEU 63 4.455 -10.542 26.855 510 HD13 LEU 63 HD13 LEU 63 5.229 -9.133 26.130 511 HD21 LEU 63 HD21 LEU 63 2.512 -9.765 28.798 512 HD22 LEU 63 HD22 LEU 63 3.665 -9.147 29.980 513 HD23 LEU 63 HD23 LEU 63 4.065 -10.571 29.019 514 H ILE 64 H ILE 64 8.171 -8.780 27.388 515 HA ILE 64 HA ILE 64 7.779 -10.989 25.736 516 HB ILE 64 HB ILE 64 10.003 -10.547 24.824 517 HG12 ILE 64 HG12 ILE 64 10.316 -8.520 27.046 518 HG13 ILE 64 HG13 ILE 64 11.082 -10.105 27.048 519 HG21 ILE 64 HG21 ILE 64 7.937 -9.046 24.438 520 HG22 ILE 64 HG22 ILE 64 8.814 -7.863 25.407 521 HG23 ILE 64 HG23 ILE 64 9.517 -8.469 23.908 522 HD11 ILE 64 HD11 ILE 64 12.375 -7.993 26.232 523 HD12 ILE 64 HD12 ILE 64 12.565 -9.537 25.401 524 HD13 ILE 64 HD13 ILE 64 11.510 -8.296 24.726 525 H SER 65 H SER 65 9.593 -10.661 28.698 526 HA SER 65 HA SER 65 11.031 -13.129 28.398 527 HB2 SER 65 HB2 SER 65 11.480 -10.950 29.911 528 HB3 SER 65 HB3 SER 65 10.658 -11.958 31.102 529 HG SER 65 HG SER 65 13.168 -12.187 30.061 530 H LYS 66 H LYS 66 7.941 -12.176 29.598 531 HA LYS 66 HA LYS 66 7.318 -14.104 31.455 532 HB2 LYS 66 HB2 LYS 66 5.731 -12.390 31.014 533 HB3 LYS 66 HB3 LYS 66 5.622 -12.828 29.314 534 HG2 LYS 66 HG2 LYS 66 3.670 -13.493 30.746 535 HG3 LYS 66 HG3 LYS 66 4.401 -14.790 29.797 536 HD2 LYS 66 HD2 LYS 66 3.926 -15.571 32.043 537 HD3 LYS 66 HD3 LYS 66 5.671 -15.497 31.787 538 HE2 LYS 66 HE2 LYS 66 5.016 -12.988 32.771 539 HE3 LYS 66 HE3 LYS 66 4.011 -14.093 33.707 540 HZ1 LYS 66 HZ1 LYS 66 6.518 -13.516 34.341 541 HZ2 LYS 66 HZ2 LYS 66 6.792 -14.868 33.362 542 HZ3 LYS 66 HZ3 LYS 66 5.792 -14.996 34.721 543 H TYR 67 H TYR 67 6.496 -14.375 27.991 544 HA TYR 67 HA TYR 67 6.926 -17.280 28.218 545 HB2 TYR 67 HB2 TYR 67 4.512 -15.868 27.535 546 HB3 TYR 67 HB3 TYR 67 5.041 -16.841 26.167 547 HD1 TYR 67 HD2 TYR 67 5.152 -17.418 29.859 548 HD2 TYR 67 HD1 TYR 67 3.761 -18.761 26.069 549 HE1 TYR 67 HE2 TYR 67 4.202 -19.421 30.924 550 HE2 TYR 67 HE1 TYR 67 2.806 -20.767 27.123 551 HH TYR 67 HH TYR 67 2.296 -21.755 29.076 552 H GLY 68 H GLY 68 6.909 -14.440 26.118 553 HA2 GLY 68 HA2 GLY 68 9.263 -15.091 24.778 554 HA3 GLY 68 HA3 GLY 68 7.937 -15.725 23.814 555 H GLU 69 H GLU 69 9.908 -13.520 23.345 556 HA GLU 69 HA GLU 69 8.587 -11.033 23.477 557 HB2 GLU 69 HB2 GLU 69 10.298 -10.222 21.980 558 HB3 GLU 69 HB3 GLU 69 11.032 -11.308 23.151 559 HG2 GLU 69 HG2 GLU 69 10.491 -13.046 21.169 560 HG3 GLU 69 HG3 GLU 69 10.750 -11.572 20.236 561 H LYS 70 H LYS 70 8.380 -13.685 21.259 562 HA LYS 70 HA LYS 70 7.325 -12.340 19.022 563 HB2 LYS 70 HB2 LYS 70 6.712 -15.172 19.877 564 HB3 LYS 70 HB3 LYS 70 6.607 -14.511 18.251 565 HG2 LYS 70 HG2 LYS 70 9.186 -14.637 19.785 566 HG3 LYS 70 HG3 LYS 70 8.616 -15.952 18.755 567 HD2 LYS 70 HD2 LYS 70 9.956 -14.777 17.294 568 HD3 LYS 70 HD3 LYS 70 8.377 -14.059 16.969 569 HE2 LYS 70 HE2 LYS 70 9.229 -12.065 17.449 570 HE3 LYS 70 HE3 LYS 70 9.491 -12.607 19.105 571 HZ1 LYS 70 HZ1 LYS 70 11.564 -13.674 17.647 572 HZ2 LYS 70 HZ2 LYS 70 11.646 -12.365 18.715 573 HZ3 LYS 70 HZ3 LYS 70 11.399 -12.095 17.063 574 H GLU 71 H GLU 71 5.407 -14.591 20.985 575 HA GLU 71 HA GLU 71 2.927 -13.600 20.304 576 HB2 GLU 71 HB2 GLU 71 2.050 -14.766 22.224 577 HB3 GLU 71 HB3 GLU 71 3.342 -15.727 21.519 578 HG2 GLU 71 HG2 GLU 71 4.872 -15.001 23.242 579 HG3 GLU 71 HG3 GLU 71 3.640 -13.940 23.922 580 H ALA 72 H ALA 72 5.218 -12.362 22.608 581 HA ALA 72 HA ALA 72 3.685 -10.821 24.283 582 HB1 ALA 72 HB1 ALA 72 5.765 -9.160 23.937 583 HB2 ALA 72 HB2 ALA 72 5.852 -10.639 24.894 584 HB3 ALA 72 HB3 ALA 72 6.435 -10.631 23.230 585 H VAL 73 H VAL 73 5.209 -9.559 21.309 586 HA VAL 73 HA VAL 73 3.841 -7.135 21.247 587 HB VAL 73 HB VAL 73 5.050 -8.771 19.024 588 HG11 VAL 73 HG11 VAL 73 4.914 -6.402 17.867 589 HG12 VAL 73 HG12 VAL 73 3.592 -7.564 17.742 590 HG13 VAL 73 HG13 VAL 73 3.496 -6.238 18.902 591 HG21 VAL 73 HG21 VAL 73 5.955 -6.621 20.842 592 HG22 VAL 73 HG22 VAL 73 6.852 -7.970 20.145 593 HG23 VAL 73 HG23 VAL 73 6.518 -6.537 19.172 594 H LYS 74 H LYS 74 2.911 -10.303 20.059 595 HA LYS 74 HA LYS 74 0.701 -9.488 18.500 596 HB2 LYS 74 HB2 LYS 74 1.199 -12.115 19.914 597 HB3 LYS 74 HB3 LYS 74 -0.024 -11.845 18.680 598 HG2 LYS 74 HG2 LYS 74 1.654 -11.438 17.019 599 HG3 LYS 74 HG3 LYS 74 2.931 -11.489 18.236 600 HD2 LYS 74 HD2 LYS 74 1.699 -13.890 18.625 601 HD3 LYS 74 HD3 LYS 74 1.524 -13.677 16.882 602 HE2 LYS 74 HE2 LYS 74 4.066 -13.014 17.048 603 HE3 LYS 74 HE3 LYS 74 3.990 -13.967 18.530 604 HZ1 LYS 74 HZ1 LYS 74 3.020 -15.016 15.939 605 HZ2 LYS 74 HZ2 LYS 74 3.397 -15.879 17.344 606 HZ3 LYS 74 HZ3 LYS 74 4.632 -15.180 16.424 607 H VAL 75 H VAL 75 0.990 -10.504 21.883 608 HA VAL 75 HA VAL 75 -1.711 -10.546 22.555 609 HB VAL 75 HB VAL 75 0.775 -10.034 24.146 610 HG11 VAL 75 HG11 VAL 75 -0.652 -8.629 25.335 611 HG12 VAL 75 HG12 VAL 75 -2.058 -9.657 25.051 612 HG13 VAL 75 HG13 VAL 75 -0.801 -10.171 26.178 613 HG21 VAL 75 HG21 VAL 75 0.691 -12.251 24.266 614 HG22 VAL 75 HG22 VAL 75 -0.785 -12.099 25.218 615 HG23 VAL 75 HG23 VAL 75 -0.881 -12.284 23.467 616 H VAL 76 H VAL 76 0.389 -7.875 21.936 617 HA VAL 76 HA VAL 76 -1.238 -5.913 23.279 618 HB VAL 76 HB VAL 76 1.262 -5.882 21.701 619 HG11 VAL 76 HG11 VAL 76 -0.632 -3.542 21.766 620 HG12 VAL 76 HG12 VAL 76 1.094 -3.388 21.435 621 HG13 VAL 76 HG13 VAL 76 0.068 -4.330 20.352 622 HG21 VAL 76 HG21 VAL 76 1.261 -5.827 24.139 623 HG22 VAL 76 HG22 VAL 76 1.945 -4.341 23.478 624 HG23 VAL 76 HG23 VAL 76 0.300 -4.348 24.115 625 H LEU 77 H LEU 77 -0.502 -6.633 19.864 626 HA LEU 77 HA LEU 77 -2.414 -4.817 18.826 627 HB2 LEU 77 HB2 LEU 77 -2.106 -6.205 16.715 628 HB3 LEU 77 HB3 LEU 77 -0.687 -5.392 17.369 629 HG LEU 77 HG LEU 77 -0.656 -7.941 18.511 630 HD11 LEU 77 HD11 LEU 77 -2.297 -8.164 16.339 631 HD12 LEU 77 HD12 LEU 77 -1.344 -9.473 17.037 632 HD13 LEU 77 HD13 LEU 77 -0.720 -8.566 15.659 633 HD21 LEU 77 HD21 LEU 77 1.286 -6.636 17.852 634 HD22 LEU 77 HD22 LEU 77 0.861 -6.830 16.151 635 HD23 LEU 77 HD23 LEU 77 1.335 -8.234 17.108 636 H LYS 78 H LYS 78 -2.450 -8.361 19.166 637 HA LYS 78 HA LYS 78 -4.913 -8.941 18.118 638 HB2 LYS 78 HB2 LYS 78 -3.036 -10.376 19.436 639 HB3 LYS 78 HB3 LYS 78 -4.293 -10.317 20.664 640 HG2 LYS 78 HG2 LYS 78 -4.531 -11.406 17.869 641 HG3 LYS 78 HG3 LYS 78 -4.567 -12.314 19.383 642 HD2 LYS 78 HD2 LYS 78 -6.594 -10.240 18.548 643 HD3 LYS 78 HD3 LYS 78 -6.814 -11.987 18.420 644 HE2 LYS 78 HE2 LYS 78 -6.330 -10.466 20.980 645 HE3 LYS 78 HE3 LYS 78 -7.897 -11.048 20.420 646 HZ1 LYS 78 HZ1 LYS 78 -7.347 -12.796 21.707 647 HZ2 LYS 78 HZ2 LYS 78 -5.683 -12.521 21.594 648 HZ3 LYS 78 HZ3 LYS 78 -6.499 -13.296 20.332 649 H GLY 79 H GLY 79 -4.195 -7.801 21.401 650 HA2 GLY 79 HA2 GLY 79 -6.980 -7.811 22.163 651 HA3 GLY 79 HA3 GLY 79 -5.635 -7.209 23.121 652 H LEU 80 H LEU 80 -4.842 -5.587 20.642 653 HA LEU 80 HA LEU 80 -6.203 -3.199 21.432 654 HB2 LEU 80 HB2 LEU 80 -3.879 -3.904 19.922 655 HB3 LEU 80 HB3 LEU 80 -4.859 -2.777 18.986 656 HG LEU 80 HG LEU 80 -4.781 -1.595 21.466 657 HD11 LEU 80 HD11 LEU 80 -2.447 -1.589 22.148 658 HD12 LEU 80 HD12 LEU 80 -2.065 -2.776 20.901 659 HD13 LEU 80 HD13 LEU 80 -3.122 -3.215 22.242 660 HD21 LEU 80 HD21 LEU 80 -4.280 -0.866 18.951 661 HD22 LEU 80 HD22 LEU 80 -2.623 -0.918 19.554 662 HD23 LEU 80 HD23 LEU 80 -3.815 0.120 20.338 663 H LYS 81 H LYS 81 -6.547 -5.525 18.864 664 HA LYS 81 HA LYS 81 -7.972 -4.098 16.973 665 HB2 LYS 81 HB2 LYS 81 -7.754 -6.934 17.754 666 HB3 LYS 81 HB3 LYS 81 -9.216 -6.516 16.871 667 HG2 LYS 81 HG2 LYS 81 -8.115 -6.444 14.951 668 HG3 LYS 81 HG3 LYS 81 -6.910 -5.340 15.618 669 HD2 LYS 81 HD2 LYS 81 -5.767 -7.300 16.637 670 HD3 LYS 81 HD3 LYS 81 -6.917 -8.351 15.807 671 HE2 LYS 81 HE2 LYS 81 -5.238 -6.347 14.329 672 HE3 LYS 81 HE3 LYS 81 -4.644 -7.965 14.699 673 HZ1 LYS 81 HZ1 LYS 81 -7.024 -8.520 13.629 674 HZ2 LYS 81 HZ2 LYS 81 -5.588 -8.455 12.738 675 HZ3 LYS 81 HZ3 LYS 81 -6.628 -7.121 12.764 676 H VAL 82 H VAL 82 -9.374 -6.068 19.600 677 HA VAL 82 HA VAL 82 -12.027 -5.296 19.213 678 HB VAL 82 HB VAL 82 -10.913 -5.911 21.936 679 HG11 VAL 82 HG11 VAL 82 -13.483 -5.496 20.959 680 HG12 VAL 82 HG12 VAL 82 -13.346 -7.246 21.135 681 HG13 VAL 82 HG13 VAL 82 -13.042 -6.194 22.517 682 HG21 VAL 82 HG21 VAL 82 -11.365 -8.343 21.259 683 HG22 VAL 82 HG22 VAL 82 -11.262 -7.760 19.598 684 HG23 VAL 82 HG23 VAL 82 -9.879 -7.591 20.679 685 H MET 83 H MET 83 -9.480 -3.365 20.085 686 HA MET 83 HA MET 83 -11.112 -1.564 21.725 687 HB2 MET 83 HB2 MET 83 -8.147 -1.689 21.185 688 HB3 MET 83 HB3 MET 83 -8.907 -0.347 22.031 689 HG2 MET 83 HG2 MET 83 -9.880 -2.442 23.434 690 HG3 MET 83 HG3 MET 83 -8.305 -3.067 22.949 691 HE1 MET 83 HE1 MET 83 -9.482 0.682 24.834 692 HE2 MET 83 HE2 MET 83 -10.425 -0.806 24.737 693 HE3 MET 83 HE3 MET 83 -9.499 -0.442 26.194 694 H ASN 84 H ASN 84 -10.144 -2.032 18.541 695 HA ASN 84 HA ASN 84 -10.413 -0.805 16.644 696 HB2 ASN 84 HB2 ASN 84 -12.532 -0.100 18.040 697 HB3 ASN 84 HB3 ASN 84 -11.686 1.439 18.163 698 HD21 ASN 84 HD21 ASN 84 -13.897 1.784 16.984 699 HD22 ASN 84 HD22 ASN 84 -13.782 1.839 15.261 700 H LEU 85 H LEU 85 -8.068 -0.512 18.329 701 HA LEU 85 HA LEU 85 -7.309 2.281 18.131 702 HB2 LEU 85 HB2 LEU 85 -6.175 -0.169 19.343 703 HB3 LEU 85 HB3 LEU 85 -5.028 1.070 18.834 704 HG LEU 85 HG LEU 85 -5.661 1.188 21.235 705 HD11 LEU 85 HD11 LEU 85 -5.571 3.477 21.289 706 HD12 LEU 85 HD12 LEU 85 -6.700 3.665 19.947 707 HD13 LEU 85 HD13 LEU 85 -5.036 3.170 19.636 708 HD21 LEU 85 HD21 LEU 85 -7.780 1.445 21.970 709 HD22 LEU 85 HD22 LEU 85 -8.171 0.645 20.447 710 HD23 LEU 85 HD23 LEU 85 -8.267 2.402 20.571 711 H LEU 86 H LEU 86 -7.905 0.789 15.686 712 HA LEU 86 HA LEU 86 -5.654 -0.030 14.281 713 HB2 LEU 86 HB2 LEU 86 -8.352 0.911 13.609 714 HB3 LEU 86 HB3 LEU 86 -7.156 1.135 12.335 715 HG LEU 86 HG LEU 86 -7.761 -1.508 13.656 716 HD11 LEU 86 HD11 LEU 86 -9.662 -1.386 12.473 717 HD12 LEU 86 HD12 LEU 86 -8.620 -1.733 11.094 718 HD13 LEU 86 HD13 LEU 86 -9.071 -0.068 11.461 719 HD21 LEU 86 HD21 LEU 86 -6.287 -0.937 11.093 720 HD22 LEU 86 HD22 LEU 86 -6.432 -2.477 11.940 721 HD23 LEU 86 HD23 LEU 86 -5.486 -1.167 12.648 722 H GLU 87 H GLU 87 -6.361 3.034 15.478 723 HA GLU 87 HA GLU 87 -5.428 4.809 13.584 724 HB2 GLU 87 HB2 GLU 87 -6.359 5.688 15.579 725 HB3 GLU 87 HB3 GLU 87 -5.206 4.826 16.588 726 HG2 GLU 87 HG2 GLU 87 -3.476 6.291 16.083 727 HG3 GLU 87 HG3 GLU 87 -4.286 6.901 14.641 728 H LEU 88 H LEU 88 -3.362 3.989 16.346 729 HA LEU 88 HA LEU 88 -0.991 4.457 14.805 730 HB2 LEU 88 HB2 LEU 88 0.138 4.401 16.781 731 HB3 LEU 88 HB3 LEU 88 -1.480 4.780 17.368 732 HG LEU 88 HG LEU 88 -0.508 3.150 18.821 733 HD11 LEU 88 HD11 LEU 88 -2.883 2.698 17.336 734 HD12 LEU 88 HD12 LEU 88 -2.503 2.204 18.986 735 HD13 LEU 88 HD13 LEU 88 -2.116 1.138 17.635 736 HD21 LEU 88 HD21 LEU 88 0.828 1.482 18.176 737 HD22 LEU 88 HD22 LEU 88 0.853 2.274 16.600 738 HD23 LEU 88 HD23 LEU 88 -0.284 0.961 16.910 739 H VAL 89 H VAL 89 -2.870 1.685 15.710 740 HA VAL 89 HA VAL 89 -0.999 -0.360 15.477 741 HB VAL 89 HB VAL 89 -3.954 -0.248 14.981 742 HG11 VAL 89 HG11 VAL 89 -3.857 -2.757 14.751 743 HG12 VAL 89 HG12 VAL 89 -3.283 -1.840 13.356 744 HG13 VAL 89 HG13 VAL 89 -2.126 -2.582 14.462 745 HG21 VAL 89 HG21 VAL 89 -3.681 -2.069 16.857 746 HG22 VAL 89 HG22 VAL 89 -2.117 -1.287 17.084 747 HG23 VAL 89 HG23 VAL 89 -3.603 -0.351 17.246 748 H ASP 90 H ASP 90 -2.505 1.590 13.033 749 HA ASP 90 HA ASP 90 -2.420 0.137 10.752 750 HB2 ASP 90 HB2 ASP 90 -2.914 2.652 11.092 751 HB3 ASP 90 HB3 ASP 90 -1.195 2.884 10.784 752 H GLN 91 H GLN 91 0.389 1.882 12.085 753 HA GLN 91 HA GLN 91 2.187 0.633 10.219 754 HB2 GLN 91 HB2 GLN 91 2.353 2.709 12.303 755 HB3 GLN 91 HB3 GLN 91 3.813 1.752 12.094 756 HG2 GLN 91 HG2 GLN 91 2.671 2.634 9.571 757 HG3 GLN 91 HG3 GLN 91 3.103 3.968 10.640 758 HE21 GLN 91 HE21 GLN 91 4.226 1.671 8.445 759 HE22 GLN 91 HE22 GLN 91 5.921 1.930 8.657 760 H LEU 92 H LEU 92 2.027 0.620 13.785 761 HA LEU 92 HA LEU 92 3.836 -1.201 14.495 762 HB2 LEU 92 HB2 LEU 92 2.440 -0.303 16.170 763 HB3 LEU 92 HB3 LEU 92 0.990 -0.975 15.428 764 HG LEU 92 HG LEU 92 1.897 -2.040 17.594 765 HD11 LEU 92 HD11 LEU 92 0.584 -3.769 17.081 766 HD12 LEU 92 HD12 LEU 92 1.578 -4.233 15.701 767 HD13 LEU 92 HD13 LEU 92 0.359 -2.971 15.525 768 HD21 LEU 92 HD21 LEU 92 3.766 -3.308 17.558 769 HD22 LEU 92 HD22 LEU 92 4.224 -2.197 16.267 770 HD23 LEU 92 HD23 LEU 92 3.549 -3.779 15.873 771 H SER 93 H SER 93 0.593 -2.130 13.345 772 HA SER 93 HA SER 93 1.014 -4.896 13.366 773 HB2 SER 93 HB2 SER 93 -0.935 -5.044 11.910 774 HB3 SER 93 HB3 SER 93 -1.212 -3.820 13.149 775 HG SER 93 HG SER 93 -1.717 -2.669 11.443 776 H HIS 94 H HIS 94 1.345 -2.562 10.702 777 HA HIS 94 HA HIS 94 2.292 -4.502 8.839 778 HB2 HIS 94 HB2 HIS 94 1.327 -1.950 8.628 779 HB3 HIS 94 HB3 HIS 94 3.048 -1.702 8.346 780 HD1 HIS 94 HD1 HIS 94 0.327 -4.039 7.061 781 HD2 HIS 94 HD2 HIS 94 3.721 -2.032 5.755 782 HE1 HIS 94 HE1 HIS 94 0.485 -4.519 4.598 783 H ILE 95 H ILE 95 3.710 -3.336 11.543 784 HA ILE 95 HA ILE 95 6.416 -3.268 10.409 785 HB ILE 95 HB ILE 95 5.362 -2.408 13.100 786 HG12 ILE 95 HG12 ILE 95 6.847 -0.781 11.041 787 HG13 ILE 95 HG13 ILE 95 5.095 -0.945 11.018 788 HG21 ILE 95 HG21 ILE 95 7.388 -3.073 13.841 789 HG22 ILE 95 HG22 ILE 95 8.103 -3.057 12.229 790 HG23 ILE 95 HG23 ILE 95 7.908 -1.549 13.122 791 HD11 ILE 95 HD11 ILE 95 6.764 0.251 13.214 792 HD12 ILE 95 HD12 ILE 95 5.692 1.104 12.104 793 HD13 ILE 95 HD13 ILE 95 5.022 -0.005 13.300 794 H CYS 96 H CYS 96 4.364 -5.012 12.654 795 HA CYS 96 HA CYS 96 6.560 -6.873 13.232 796 HB2 CYS 96 HB2 CYS 96 5.201 -5.800 15.109 797 HB3 CYS 96 HB3 CYS 96 3.865 -6.818 14.585 798 HG CYS 96 HG CYS 96 5.500 -9.196 14.941 799 H LEU 97 H LEU 97 4.343 -6.557 10.946 800 HA LEU 97 HA LEU 97 3.412 -7.979 9.433 801 HB2 LEU 97 HB2 LEU 97 5.638 -9.207 9.996 802 HB3 LEU 97 HB3 LEU 97 4.587 -10.327 10.861 803 HG LEU 97 HG LEU 97 3.393 -10.809 8.775 804 HD11 LEU 97 HD11 LEU 97 4.803 -9.985 6.686 805 HD12 LEU 97 HD12 LEU 97 5.142 -8.636 7.770 806 HD13 LEU 97 HD13 LEU 97 3.475 -9.036 7.355 807 HD21 LEU 97 HD21 LEU 97 5.738 -11.551 7.569 808 HD22 LEU 97 HD22 LEU 97 4.902 -12.457 8.830 809 HD23 LEU 97 HD23 LEU 97 6.218 -11.362 9.256 810 H HIS 98 H HIS 98 1.434 -8.900 9.253 811 HA HIS 98 HA HIS 98 -0.035 -9.360 11.709 812 HB2 HIS 98 HB2 HIS 98 -0.683 -8.678 8.949 813 HB3 HIS 98 HB3 HIS 98 -1.756 -9.910 9.606 814 HD1 HIS 98 HD1 HIS 98 -2.245 -6.711 8.987 815 HD2 HIS 98 HD2 HIS 98 -2.013 -8.647 12.656 816 HE1 HIS 98 HE1 HIS 98 -3.482 -5.236 10.606 817 H ASP 99 H ASP 99 1.450 -11.202 9.198 818 HA ASP 99 HA ASP 99 0.007 -13.562 9.225 819 HB2 ASP 99 HB2 ASP 99 2.002 -12.946 7.762 820 HB3 ASP 99 HB3 ASP 99 3.020 -13.467 9.101 821 H TYR 100 H TYR 100 2.108 -12.241 11.643 822 HA TYR 100 HA TYR 100 2.601 -14.652 13.069 823 HB2 TYR 100 HB2 TYR 100 3.018 -11.755 13.537 824 HB3 TYR 100 HB3 TYR 100 2.914 -12.768 14.972 825 HD1 TYR 100 HD2 TYR 100 4.275 -15.183 14.347 826 HD2 TYR 100 HD1 TYR 100 5.214 -11.231 13.078 827 HE1 TYR 100 HE2 TYR 100 6.627 -15.841 14.056 828 HE2 TYR 100 HE1 TYR 100 7.568 -11.879 12.782 829 HH TYR 100 HH TYR 100 9.123 -13.513 13.425 830 H ARG 101 H ARG 101 -0.015 -12.376 12.986 831 HA ARG 101 HA ARG 101 -1.306 -13.799 15.221 832 HB2 ARG 101 HB2 ARG 101 -0.965 -11.490 15.811 833 HB3 ARG 101 HB3 ARG 101 -1.646 -10.949 14.283 834 HG2 ARG 101 HG2 ARG 101 -3.648 -12.499 15.419 835 HG3 ARG 101 HG3 ARG 101 -2.965 -11.587 16.767 836 HD2 ARG 101 HD2 ARG 101 -4.575 -10.134 15.983 837 HD3 ARG 101 HD3 ARG 101 -3.136 -9.569 15.135 838 HE ARG 101 HE ARG 101 -4.055 -10.282 13.149 839 HH11 ARG 101 HH11 ARG 101 -5.922 -11.505 15.820 840 HH12 ARG 101 HH12 ARG 101 -7.223 -12.066 14.823 841 HH21 ARG 101 HH21 ARG 101 -5.762 -11.016 11.826 842 HH22 ARG 101 HH22 ARG 101 -7.131 -11.788 12.551 843 H GLU 102 H GLU 102 -2.745 -15.212 14.485 844 HA GLU 102 HA GLU 102 -3.791 -15.366 11.934 845 HB2 GLU 102 HB2 GLU 102 -4.119 -16.751 14.379 846 HB3 GLU 102 HB3 GLU 102 -5.732 -16.362 13.798 847 HG2 GLU 102 HG2 GLU 102 -4.624 -17.274 11.525 848 HG3 GLU 102 HG3 GLU 102 -3.719 -18.212 12.712 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -4.502 17.561 10.852 2 HA2 GLY 1 HA2 GLY 1 -2.270 18.118 10.789 3 HA3 GLY 1 HA3 GLY 1 -2.217 17.849 12.525 4 H ALA 2 H ALA 2 -0.210 17.140 10.582 5 HA ALA 2 HA ALA 2 -0.115 14.252 11.109 6 HB1 ALA 2 HB1 ALA 2 1.022 15.248 8.546 7 HB2 ALA 2 HB2 ALA 2 0.376 13.658 8.954 8 HB3 ALA 2 HB3 ALA 2 -0.721 15.007 8.662 9 H MET 3 H MET 3 2.032 13.360 11.182 10 HA MET 3 HA MET 3 4.110 15.386 11.696 11 HB2 MET 3 HB2 MET 3 3.508 12.825 13.168 12 HB3 MET 3 HB3 MET 3 5.044 13.667 13.327 13 HG2 MET 3 HG2 MET 3 4.194 15.153 14.737 14 HG3 MET 3 HG3 MET 3 2.794 15.445 13.707 15 HE1 MET 3 HE1 MET 3 0.480 15.246 15.360 16 HE2 MET 3 HE2 MET 3 1.005 14.842 16.994 17 HE3 MET 3 HE3 MET 3 1.917 16.012 16.039 18 H ALA 4 H ALA 4 6.361 14.463 11.549 19 HA ALA 4 HA ALA 4 6.550 12.901 9.089 20 HB1 ALA 4 HB1 ALA 4 8.143 14.374 8.629 21 HB2 ALA 4 HB2 ALA 4 8.062 15.036 10.263 22 HB3 ALA 4 HB3 ALA 4 9.118 13.666 9.918 23 H MET 5 H MET 5 8.687 11.503 9.057 24 HA MET 5 HA MET 5 8.682 9.832 11.485 25 HB2 MET 5 HB2 MET 5 9.120 7.892 9.988 26 HB3 MET 5 HB3 MET 5 7.548 8.636 9.728 27 HG2 MET 5 HG2 MET 5 8.746 9.957 7.860 28 HG3 MET 5 HG3 MET 5 9.977 8.703 7.993 29 HE1 MET 5 HE1 MET 5 9.702 8.583 5.680 30 HE2 MET 5 HE2 MET 5 9.049 7.029 5.164 31 HE3 MET 5 HE3 MET 5 8.160 8.515 4.828 32 H ALA 6 H ALA 6 10.656 8.746 11.993 33 HA ALA 6 HA ALA 6 13.059 9.193 10.543 34 HB1 ALA 6 HB1 ALA 6 14.138 10.833 11.764 35 HB2 ALA 6 HB2 ALA 6 12.489 11.455 11.680 36 HB3 ALA 6 HB3 ALA 6 13.057 10.660 13.148 37 H LYS 7 H LYS 7 14.989 8.881 12.355 38 HA LYS 7 HA LYS 7 16.028 7.406 13.743 39 HB2 LYS 7 HB2 LYS 7 13.403 7.742 14.869 40 HB3 LYS 7 HB3 LYS 7 13.928 6.077 15.084 41 HG2 LYS 7 HG2 LYS 7 15.725 6.674 16.405 42 HG3 LYS 7 HG3 LYS 7 15.765 8.325 15.783 43 HD2 LYS 7 HD2 LYS 7 13.475 7.263 17.421 44 HD3 LYS 7 HD3 LYS 7 14.892 8.023 18.148 45 HE2 LYS 7 HE2 LYS 7 14.292 9.876 16.308 46 HE3 LYS 7 HE3 LYS 7 12.681 9.214 16.582 47 HZ1 LYS 7 HZ1 LYS 7 14.407 10.027 18.837 48 HZ2 LYS 7 HZ2 LYS 7 12.728 9.825 18.812 49 HZ3 LYS 7 HZ3 LYS 7 13.433 11.151 18.032 50 H ALA 8 H ALA 8 16.766 5.336 13.557 51 HA ALA 8 HA ALA 8 16.067 3.798 11.361 52 HB1 ALA 8 HB1 ALA 8 17.148 2.114 13.418 53 HB2 ALA 8 HB2 ALA 8 17.907 2.699 11.937 54 HB3 ALA 8 HB3 ALA 8 17.978 3.670 13.407 55 H ARG 9 H ARG 9 14.926 1.858 11.100 56 HA ARG 9 HA ARG 9 12.635 1.600 12.864 57 HB2 ARG 9 HB2 ARG 9 13.353 0.420 10.189 58 HB3 ARG 9 HB3 ARG 9 11.965 -0.149 11.107 59 HG2 ARG 9 HG2 ARG 9 10.790 1.443 10.110 60 HG3 ARG 9 HG3 ARG 9 11.684 2.607 11.091 61 HD2 ARG 9 HD2 ARG 9 12.612 3.446 9.258 62 HD3 ARG 9 HD3 ARG 9 13.317 1.873 8.889 63 HE ARG 9 HE ARG 9 11.050 3.085 7.631 64 HH11 ARG 9 HH11 ARG 9 12.543 0.051 8.459 65 HH12 ARG 9 HH12 ARG 9 11.771 -0.827 7.181 66 HH21 ARG 9 HH21 ARG 9 10.027 1.940 5.944 67 HH22 ARG 9 HH22 ARG 9 10.341 0.248 5.750 68 H LYS 10 H LYS 10 12.463 0.136 14.424 69 HA LYS 10 HA LYS 10 14.021 -2.344 14.244 70 HB2 LYS 10 HB2 LYS 10 14.020 -0.366 16.507 71 HB3 LYS 10 HB3 LYS 10 14.369 -2.065 16.793 72 HG2 LYS 10 HG2 LYS 10 15.881 -0.755 14.621 73 HG3 LYS 10 HG3 LYS 10 16.254 -0.251 16.271 74 HD2 LYS 10 HD2 LYS 10 17.519 -2.066 16.493 75 HD3 LYS 10 HD3 LYS 10 16.071 -3.059 16.316 76 HE2 LYS 10 HE2 LYS 10 16.383 -2.912 13.836 77 HE3 LYS 10 HE3 LYS 10 17.930 -2.121 14.137 78 HZ1 LYS 10 HZ1 LYS 10 18.649 -4.244 14.007 79 HZ2 LYS 10 HZ2 LYS 10 17.172 -4.912 14.488 80 HZ3 LYS 10 HZ3 LYS 10 18.224 -4.266 15.645 81 HA PRO 11 HA PRO 11 10.164 -4.171 15.356 82 HB2 PRO 11 HB2 PRO 11 11.086 -6.610 16.113 83 HB3 PRO 11 HB3 PRO 11 10.989 -6.101 14.422 84 HG2 PRO 11 HG2 PRO 11 13.354 -6.134 16.258 85 HG3 PRO 11 HG3 PRO 11 13.250 -6.629 14.559 86 HD2 PRO 11 HD2 PRO 11 14.262 -4.236 15.320 87 HD3 PRO 11 HD3 PRO 11 13.394 -4.461 13.788 88 H ARG 12 H ARG 12 12.805 -5.033 17.605 89 HA ARG 12 HA ARG 12 11.192 -5.455 19.843 90 HB2 ARG 12 HB2 ARG 12 13.570 -6.151 19.643 91 HB3 ARG 12 HB3 ARG 12 14.049 -4.468 19.816 92 HG2 ARG 12 HG2 ARG 12 13.041 -4.418 22.048 93 HG3 ARG 12 HG3 ARG 12 12.594 -6.116 21.873 94 HD2 ARG 12 HD2 ARG 12 14.588 -6.124 23.120 95 HD3 ARG 12 HD3 ARG 12 15.062 -6.568 21.480 96 HE ARG 12 HE ARG 12 15.316 -3.800 21.735 97 HH11 ARG 12 HH11 ARG 12 16.750 -6.708 23.002 98 HH12 ARG 12 HH12 ARG 12 18.300 -5.983 23.270 99 HH21 ARG 12 HH21 ARG 12 17.353 -2.833 22.083 100 HH22 ARG 12 HH22 ARG 12 18.642 -3.779 22.748 101 H GLU 13 H GLU 13 12.926 -2.529 18.811 102 HA GLU 13 HA GLU 13 12.120 -0.932 20.999 103 HB2 GLU 13 HB2 GLU 13 13.502 -0.538 18.449 104 HB3 GLU 13 HB3 GLU 13 12.540 0.849 18.940 105 HG2 GLU 13 HG2 GLU 13 14.261 -0.364 21.009 106 HG3 GLU 13 HG3 GLU 13 15.073 0.480 19.691 107 H ALA 14 H ALA 14 10.490 -1.982 18.175 108 HA ALA 14 HA ALA 14 8.613 0.154 17.963 109 HB1 ALA 14 HB1 ALA 14 8.249 -0.878 16.035 110 HB2 ALA 14 HB2 ALA 14 9.191 -2.271 16.568 111 HB3 ALA 14 HB3 ALA 14 7.463 -2.191 16.911 112 H LEU 15 H LEU 15 8.631 -2.970 19.610 113 HA LEU 15 HA LEU 15 5.928 -2.936 20.429 114 HB2 LEU 15 HB2 LEU 15 6.790 -5.027 20.642 115 HB3 LEU 15 HB3 LEU 15 8.371 -4.441 21.155 116 HG LEU 15 HG LEU 15 7.468 -4.014 23.400 117 HD11 LEU 15 HD11 LEU 15 5.280 -3.804 23.681 118 HD12 LEU 15 HD12 LEU 15 5.112 -5.534 23.387 119 HD13 LEU 15 HD13 LEU 15 4.970 -4.395 22.049 120 HD21 LEU 15 HD21 LEU 15 8.541 -6.085 23.191 121 HD22 LEU 15 HD22 LEU 15 7.229 -6.770 22.232 122 HD23 LEU 15 HD23 LEU 15 6.997 -6.463 23.954 123 H LEU 16 H LEU 16 8.887 -1.687 21.873 124 HA LEU 16 HA LEU 16 7.742 -1.009 24.383 125 HB2 LEU 16 HB2 LEU 16 10.080 0.431 23.196 126 HB3 LEU 16 HB3 LEU 16 9.767 0.022 24.881 127 HG LEU 16 HG LEU 16 10.492 -1.981 22.745 128 HD11 LEU 16 HD11 LEU 16 12.506 -1.719 24.710 129 HD12 LEU 16 HD12 LEU 16 12.134 -0.102 24.114 130 HD13 LEU 16 HD13 LEU 16 12.607 -1.370 22.984 131 HD21 LEU 16 HD21 LEU 16 9.524 -3.304 24.308 132 HD22 LEU 16 HD22 LEU 16 9.770 -2.140 25.610 133 HD23 LEU 16 HD23 LEU 16 11.110 -3.151 25.066 134 H TRP 17 H TRP 17 8.248 0.763 21.369 135 HA TRP 17 HA TRP 17 7.212 3.226 22.441 136 HB2 TRP 17 HB2 TRP 17 8.677 2.452 20.145 137 HB3 TRP 17 HB3 TRP 17 7.180 3.182 19.572 138 HD1 TRP 17 HD1 TRP 17 9.804 4.121 22.293 139 HE1 TRP 17 HE1 TRP 17 10.272 6.644 22.089 140 HE3 TRP 17 HE3 TRP 17 6.644 5.223 18.428 141 HZ2 TRP 17 HZ2 TRP 17 9.414 8.814 20.501 142 HZ3 TRP 17 HZ3 TRP 17 6.526 7.546 17.627 143 HH2 TRP 17 HH2 TRP 17 7.883 9.303 18.643 144 H ALA 18 H ALA 18 5.928 0.427 20.879 145 HA ALA 18 HA ALA 18 3.514 1.634 19.931 146 HB1 ALA 18 HB1 ALA 18 2.781 -0.611 19.455 147 HB2 ALA 18 HB2 ALA 18 4.468 -0.435 18.968 148 HB3 ALA 18 HB3 ALA 18 4.065 -1.282 20.462 149 H LEU 19 H LEU 19 4.016 -0.797 22.498 150 HA LEU 19 HA LEU 19 1.480 -0.460 23.659 151 HB2 LEU 19 HB2 LEU 19 2.162 -1.950 25.268 152 HB3 LEU 19 HB3 LEU 19 3.251 -2.338 23.937 153 HG LEU 19 HG LEU 19 4.693 -2.355 25.721 154 HD11 LEU 19 HD11 LEU 19 5.132 0.511 25.550 155 HD12 LEU 19 HD12 LEU 19 4.931 -0.243 23.970 156 HD13 LEU 19 HD13 LEU 19 6.177 -0.827 25.072 157 HD21 LEU 19 HD21 LEU 19 3.904 -1.726 27.699 158 HD22 LEU 19 HD22 LEU 19 2.676 -0.707 26.946 159 HD23 LEU 19 HD23 LEU 19 4.287 -0.060 27.262 160 H SER 20 H SER 20 4.222 1.525 23.743 161 HA SER 20 HA SER 20 3.598 2.736 26.309 162 HB2 SER 20 HB2 SER 20 5.936 2.555 25.805 163 HB3 SER 20 HB3 SER 20 5.715 3.317 24.230 164 HG SER 20 HG SER 20 6.140 4.465 26.629 165 H ASP 21 H ASP 21 2.919 3.217 22.968 166 HA ASP 21 HA ASP 21 2.348 5.998 23.052 167 HB2 ASP 21 HB2 ASP 21 2.421 3.987 21.087 168 HB3 ASP 21 HB3 ASP 21 0.772 4.607 21.075 169 H LEU 22 H LEU 22 0.553 3.137 23.876 170 HA LEU 22 HA LEU 22 -1.957 4.605 24.067 171 HB2 LEU 22 HB2 LEU 22 -2.645 2.236 25.005 172 HB3 LEU 22 HB3 LEU 22 -2.487 2.545 23.277 173 HG LEU 22 HG LEU 22 -0.040 1.576 24.587 174 HD11 LEU 22 HD11 LEU 22 -1.898 0.337 25.759 175 HD12 LEU 22 HD12 LEU 22 -0.730 -0.663 24.897 176 HD13 LEU 22 HD13 LEU 22 -2.314 -0.351 24.189 177 HD21 LEU 22 HD21 LEU 22 -0.155 1.862 22.196 178 HD22 LEU 22 HD22 LEU 22 -1.578 0.824 22.104 179 HD23 LEU 22 HD23 LEU 22 -0.018 0.144 22.570 180 H GLU 23 H GLU 23 -3.226 4.552 26.047 181 HA GLU 23 HA GLU 23 -1.682 5.328 28.306 182 HB2 GLU 23 HB2 GLU 23 -4.633 4.864 27.902 183 HB3 GLU 23 HB3 GLU 23 -3.959 5.363 29.447 184 HG2 GLU 23 HG2 GLU 23 -2.914 7.305 28.145 185 HG3 GLU 23 HG3 GLU 23 -4.045 6.873 26.865 186 H GLU 24 H GLU 24 -1.896 4.385 30.473 187 HA GLU 24 HA GLU 24 -1.241 1.636 30.470 188 HB2 GLU 24 HB2 GLU 24 -1.216 1.838 32.916 189 HB3 GLU 24 HB3 GLU 24 -0.356 3.166 32.150 190 HG2 GLU 24 HG2 GLU 24 -2.970 4.075 32.424 191 HG3 GLU 24 HG3 GLU 24 -2.621 3.223 33.927 192 H ASN 25 H ASN 25 -4.208 3.394 31.100 193 HA ASN 25 HA ASN 25 -5.627 1.155 32.175 194 HB2 ASN 25 HB2 ASN 25 -6.084 3.934 31.887 195 HB3 ASN 25 HB3 ASN 25 -7.398 3.115 31.049 196 HD21 ASN 25 HD21 ASN 25 -9.024 3.452 32.446 197 HD22 ASN 25 HD22 ASN 25 -9.046 2.884 34.077 198 H ASP 26 H ASP 26 -4.405 1.511 29.228 199 HA ASP 26 HA ASP 26 -6.714 0.288 27.866 200 HB2 ASP 26 HB2 ASP 26 -4.378 1.843 26.742 201 HB3 ASP 26 HB3 ASP 26 -5.544 0.974 25.748 202 H PHE 27 H PHE 27 -3.147 0.214 27.849 203 HA PHE 27 HA PHE 27 -2.903 -2.241 26.519 204 HB2 PHE 27 HB2 PHE 27 -0.750 -1.647 26.588 205 HB3 PHE 27 HB3 PHE 27 -1.160 -0.331 27.683 206 HD1 PHE 27 HD2 PHE 27 -0.914 -0.596 30.095 207 HD2 PHE 27 HD1 PHE 27 0.227 -3.681 27.392 208 HE1 PHE 27 HE2 PHE 27 0.372 -1.686 31.887 209 HE2 PHE 27 HE1 PHE 27 1.514 -4.776 29.180 210 HZ PHE 27 HZ PHE 27 1.589 -3.778 31.431 211 H LYS 28 H LYS 28 -3.198 -1.460 29.941 212 HA LYS 28 HA LYS 28 -2.649 -4.033 30.955 213 HB2 LYS 28 HB2 LYS 28 -2.591 -2.138 32.431 214 HB3 LYS 28 HB3 LYS 28 -4.267 -1.742 32.076 215 HG2 LYS 28 HG2 LYS 28 -5.008 -3.764 33.191 216 HG3 LYS 28 HG3 LYS 28 -3.333 -4.228 33.497 217 HD2 LYS 28 HD2 LYS 28 -4.059 -3.268 35.510 218 HD3 LYS 28 HD3 LYS 28 -3.125 -1.993 34.722 219 HE2 LYS 28 HE2 LYS 28 -5.062 -0.823 34.087 220 HE3 LYS 28 HE3 LYS 28 -6.104 -2.210 34.401 221 HZ1 LYS 28 HZ1 LYS 28 -5.872 -1.933 36.709 222 HZ2 LYS 28 HZ2 LYS 28 -6.149 -0.378 36.103 223 HZ3 LYS 28 HZ3 LYS 28 -4.585 -0.846 36.546 224 H LYS 29 H LYS 29 -5.685 -2.446 30.044 225 HA LYS 29 HA LYS 29 -7.484 -4.382 30.875 226 HB2 LYS 29 HB2 LYS 29 -7.527 -2.078 29.187 227 HB3 LYS 29 HB3 LYS 29 -8.390 -3.376 28.373 228 HG2 LYS 29 HG2 LYS 29 -9.966 -2.130 29.643 229 HG3 LYS 29 HG3 LYS 29 -9.738 -3.685 30.446 230 HD2 LYS 29 HD2 LYS 29 -8.734 -2.754 32.259 231 HD3 LYS 29 HD3 LYS 29 -7.988 -1.461 31.317 232 HE2 LYS 29 HE2 LYS 29 -9.542 -0.238 32.446 233 HE3 LYS 29 HE3 LYS 29 -10.514 -0.706 31.052 234 HZ1 LYS 29 HZ1 LYS 29 -10.810 -1.434 33.814 235 HZ2 LYS 29 HZ2 LYS 29 -10.870 -2.766 32.773 236 HZ3 LYS 29 HZ3 LYS 29 -11.943 -1.476 32.559 237 H LEU 30 H LEU 30 -5.537 -4.245 27.941 238 HA LEU 30 HA LEU 30 -6.754 -6.503 26.698 239 HB2 LEU 30 HB2 LEU 30 -3.956 -5.788 26.046 240 HB3 LEU 30 HB3 LEU 30 -5.308 -6.157 24.978 241 HG LEU 30 HG LEU 30 -4.758 -3.541 26.375 242 HD11 LEU 30 HD11 LEU 30 -4.075 -4.632 23.794 243 HD12 LEU 30 HD12 LEU 30 -3.569 -3.120 24.548 244 HD13 LEU 30 HD13 LEU 30 -5.075 -3.188 23.632 245 HD21 LEU 30 HD21 LEU 30 -7.196 -4.629 25.099 246 HD22 LEU 30 HD22 LEU 30 -6.762 -2.965 24.707 247 HD23 LEU 30 HD23 LEU 30 -7.022 -3.437 26.387 248 H LYS 31 H LYS 31 -3.606 -6.064 28.315 249 HA LYS 31 HA LYS 31 -2.761 -8.712 28.210 250 HB2 LYS 31 HB2 LYS 31 -2.203 -6.683 30.383 251 HB3 LYS 31 HB3 LYS 31 -1.272 -8.143 30.077 252 HG2 LYS 31 HG2 LYS 31 -1.588 -5.862 28.138 253 HG3 LYS 31 HG3 LYS 31 -0.197 -6.116 29.195 254 HD2 LYS 31 HD2 LYS 31 0.493 -8.011 28.037 255 HD3 LYS 31 HD3 LYS 31 -1.100 -8.274 27.324 256 HE2 LYS 31 HE2 LYS 31 0.603 -5.881 26.673 257 HE3 LYS 31 HE3 LYS 31 0.708 -7.395 25.776 258 HZ1 LYS 31 HZ1 LYS 31 -0.988 -5.365 25.221 259 HZ2 LYS 31 HZ2 LYS 31 -1.982 -6.425 26.087 260 HZ3 LYS 31 HZ3 LYS 31 -1.180 -6.962 24.698 261 H PHE 32 H PHE 32 -5.097 -7.181 30.270 262 HA PHE 32 HA PHE 32 -5.138 -9.100 32.348 263 HB2 PHE 32 HB2 PHE 32 -6.126 -6.923 32.696 264 HB3 PHE 32 HB3 PHE 32 -7.261 -7.180 31.374 265 HD1 PHE 32 HD2 PHE 32 -6.225 -9.011 34.462 266 HD2 PHE 32 HD1 PHE 32 -9.412 -7.580 32.030 267 HE1 PHE 32 HE2 PHE 32 -7.854 -9.949 36.050 268 HE2 PHE 32 HE1 PHE 32 -11.045 -8.515 33.614 269 HZ PHE 32 HZ PHE 32 -10.267 -9.702 35.627 270 H TYR 33 H TYR 33 -7.060 -8.741 29.387 271 HA TYR 33 HA TYR 33 -8.310 -11.339 29.882 272 HB2 TYR 33 HB2 TYR 33 -9.047 -8.921 28.409 273 HB3 TYR 33 HB3 TYR 33 -9.345 -10.399 27.502 274 HD1 TYR 33 HD1 TYR 33 -10.982 -12.028 28.278 275 HD2 TYR 33 HD2 TYR 33 -10.286 -8.426 30.433 276 HE1 TYR 33 HE1 TYR 33 -13.064 -12.387 29.539 277 HE2 TYR 33 HE2 TYR 33 -12.365 -8.776 31.701 278 HH TYR 33 HH TYR 33 -13.804 -11.242 32.231 279 H LEU 34 H LEU 34 -6.685 -9.637 27.202 280 HA LEU 34 HA LEU 34 -6.418 -11.758 25.455 281 HB2 LEU 34 HB2 LEU 34 -4.751 -9.326 25.965 282 HB3 LEU 34 HB3 LEU 34 -4.247 -10.518 24.769 283 HG LEU 34 HG LEU 34 -5.426 -8.582 23.788 284 HD11 LEU 34 HD11 LEU 34 -5.606 -10.309 22.330 285 HD12 LEU 34 HD12 LEU 34 -7.314 -10.132 22.731 286 HD13 LEU 34 HD13 LEU 34 -6.349 -11.382 23.516 287 HD21 LEU 34 HD21 LEU 34 -7.892 -9.644 25.148 288 HD22 LEU 34 HD22 LEU 34 -7.732 -8.181 24.175 289 HD23 LEU 34 HD23 LEU 34 -6.961 -8.276 25.759 290 H ARG 35 H ARG 35 -3.926 -10.634 27.753 291 HA ARG 35 HA ARG 35 -2.190 -12.807 27.358 292 HB2 ARG 35 HB2 ARG 35 -2.260 -10.463 28.956 293 HB3 ARG 35 HB3 ARG 35 -1.939 -11.817 30.031 294 HG2 ARG 35 HG2 ARG 35 -0.262 -12.313 27.916 295 HG3 ARG 35 HG3 ARG 35 -0.226 -10.554 28.050 296 HD2 ARG 35 HD2 ARG 35 0.127 -12.350 30.432 297 HD3 ARG 35 HD3 ARG 35 1.482 -11.868 29.414 298 HE ARG 35 HE ARG 35 -0.130 -9.688 30.411 299 HH11 ARG 35 HH11 ARG 35 2.632 -11.739 30.944 300 HH12 ARG 35 HH12 ARG 35 3.420 -10.621 32.008 301 HH21 ARG 35 HH21 ARG 35 0.897 -8.208 31.811 302 HH22 ARG 35 HH22 ARG 35 2.432 -8.614 32.501 303 H ASP 36 H ASP 36 -4.910 -12.337 29.524 304 HA ASP 36 HA ASP 36 -4.541 -14.379 31.339 305 HB2 ASP 36 HB2 ASP 36 -6.727 -12.745 30.453 306 HB3 ASP 36 HB3 ASP 36 -7.291 -14.400 30.666 307 H MET 37 H MET 37 -6.218 -14.590 28.201 308 HA MET 37 HA MET 37 -6.308 -17.486 28.402 309 HB2 MET 37 HB2 MET 37 -7.886 -15.546 27.134 310 HB3 MET 37 HB3 MET 37 -7.112 -16.438 25.830 311 HG2 MET 37 HG2 MET 37 -8.293 -18.303 26.226 312 HG3 MET 37 HG3 MET 37 -8.240 -18.093 27.974 313 HE1 MET 37 HE1 MET 37 -11.340 -18.250 25.391 314 HE2 MET 37 HE2 MET 37 -11.060 -16.591 24.863 315 HE3 MET 37 HE3 MET 37 -9.752 -17.772 24.791 316 H THR 38 H THR 38 -5.251 -15.252 25.826 317 HA THR 38 HA THR 38 -3.811 -16.978 24.282 318 HB THR 38 HB THR 38 -2.543 -15.119 23.445 319 HG1 THR 38 HG1 THR 38 -1.903 -14.219 25.459 320 HG21 THR 38 HG21 THR 38 -5.240 -14.078 24.319 321 HG22 THR 38 HG22 THR 38 -4.977 -15.161 22.952 322 HG23 THR 38 HG23 THR 38 -4.294 -13.536 22.933 323 H LEU 39 H LEU 39 -2.559 -15.152 27.069 324 HA LEU 39 HA LEU 39 -0.168 -16.858 27.046 325 HB2 LEU 39 HB2 LEU 39 -0.741 -14.096 27.931 326 HB3 LEU 39 HB3 LEU 39 0.405 -15.013 28.906 327 HG LEU 39 HG LEU 39 1.489 -15.456 26.518 328 HD11 LEU 39 HD11 LEU 39 1.292 -12.973 25.514 329 HD12 LEU 39 HD12 LEU 39 -0.345 -13.179 26.137 330 HD13 LEU 39 HD13 LEU 39 0.303 -14.327 24.967 331 HD21 LEU 39 HD21 LEU 39 2.399 -12.878 27.186 332 HD22 LEU 39 HD22 LEU 39 3.108 -14.430 27.633 333 HD23 LEU 39 HD23 LEU 39 1.931 -13.657 28.697 334 H SER 40 H SER 40 0.730 -17.006 29.465 335 HA SER 40 HA SER 40 -1.404 -18.344 30.963 336 HB2 SER 40 HB2 SER 40 1.090 -19.228 30.294 337 HB3 SER 40 HB3 SER 40 1.371 -18.614 31.923 338 HG SER 40 HG SER 40 0.136 -20.874 31.157 339 H GLU 41 H GLU 41 -0.571 -18.373 33.486 340 HA GLU 41 HA GLU 41 -1.007 -15.644 34.330 341 HB2 GLU 41 HB2 GLU 41 -0.804 -18.261 35.813 342 HB3 GLU 41 HB3 GLU 41 -0.969 -16.719 36.640 343 HG2 GLU 41 HG2 GLU 41 -3.145 -16.535 36.144 344 HG3 GLU 41 HG3 GLU 41 -2.938 -17.192 34.522 345 H GLY 42 H GLY 42 0.286 -15.106 36.503 346 HA2 GLY 42 HA2 GLY 42 2.559 -15.428 37.486 347 HA3 GLY 42 HA3 GLY 42 3.146 -15.424 35.830 348 H GLN 43 H GLN 43 1.230 -13.274 35.089 349 HA GLN 43 HA GLN 43 2.933 -11.072 35.519 350 HB2 GLN 43 HB2 GLN 43 1.490 -9.869 34.177 351 HB3 GLN 43 HB3 GLN 43 1.129 -11.515 33.676 352 HG2 GLN 43 HG2 GLN 43 -0.798 -11.517 35.227 353 HG3 GLN 43 HG3 GLN 43 -0.463 -9.824 35.587 354 HE21 GLN 43 HE21 GLN 43 -1.339 -12.070 33.030 355 HE22 GLN 43 HE22 GLN 43 -2.137 -10.909 32.029 356 HA PRO 44 HA PRO 44 1.658 -9.368 39.354 357 HB2 PRO 44 HB2 PRO 44 1.808 -6.703 38.860 358 HB3 PRO 44 HB3 PRO 44 3.236 -7.731 39.030 359 HG2 PRO 44 HG2 PRO 44 1.896 -6.748 36.540 360 HG3 PRO 44 HG3 PRO 44 3.627 -6.841 36.917 361 HD2 PRO 44 HD2 PRO 44 2.369 -8.679 35.377 362 HD3 PRO 44 HD3 PRO 44 3.740 -9.091 36.428 363 HA PRO 45 HA PRO 45 -2.593 -8.249 39.456 364 HB2 PRO 45 HB2 PRO 45 -2.708 -6.418 41.457 365 HB3 PRO 45 HB3 PRO 45 -2.433 -8.140 41.745 366 HG2 PRO 45 HG2 PRO 45 -0.452 -5.899 41.631 367 HG3 PRO 45 HG3 PRO 45 -0.547 -7.251 42.774 368 HD2 PRO 45 HD2 PRO 45 1.179 -7.226 40.688 369 HD3 PRO 45 HD3 PRO 45 0.457 -8.723 41.312 370 H LEU 46 H LEU 46 -4.159 -6.587 39.037 371 HA LEU 46 HA LEU 46 -3.546 -4.842 36.999 372 HB2 LEU 46 HB2 LEU 46 -5.741 -4.483 39.033 373 HB3 LEU 46 HB3 LEU 46 -5.685 -3.776 37.419 374 HG LEU 46 HG LEU 46 -5.808 -6.743 37.931 375 HD11 LEU 46 HD11 LEU 46 -8.238 -5.891 36.880 376 HD12 LEU 46 HD12 LEU 46 -7.873 -4.743 38.168 377 HD13 LEU 46 HD13 LEU 46 -7.932 -6.471 38.517 378 HD21 LEU 46 HD21 LEU 46 -5.041 -5.477 35.689 379 HD22 LEU 46 HD22 LEU 46 -6.787 -5.503 35.437 380 HD23 LEU 46 HD23 LEU 46 -5.908 -7.012 35.691 381 H ALA 47 H ALA 47 -2.174 -3.195 37.000 382 HA ALA 47 HA ALA 47 -2.392 -1.163 39.081 383 HB1 ALA 47 HB1 ALA 47 0.335 -2.168 38.337 384 HB2 ALA 47 HB2 ALA 47 -0.140 -1.161 39.706 385 HB3 ALA 47 HB3 ALA 47 -0.577 -2.870 39.673 386 H ARG 48 H ARG 48 -2.527 0.758 38.140 387 HA ARG 48 HA ARG 48 -2.116 1.126 35.362 388 HB2 ARG 48 HB2 ARG 48 -2.607 3.055 37.627 389 HB3 ARG 48 HB3 ARG 48 -2.428 3.583 35.959 390 HG2 ARG 48 HG2 ARG 48 -4.442 2.733 35.324 391 HG3 ARG 48 HG3 ARG 48 -4.406 1.448 36.533 392 HD2 ARG 48 HD2 ARG 48 -6.012 2.804 37.436 393 HD3 ARG 48 HD3 ARG 48 -4.573 3.473 38.204 394 HE ARG 48 HE ARG 48 -5.013 4.842 35.804 395 HH11 ARG 48 HH11 ARG 48 -6.477 4.434 38.936 396 HH12 ARG 48 HH12 ARG 48 -7.208 6.005 38.944 397 HH21 ARG 48 HH21 ARG 48 -5.970 6.913 35.802 398 HH22 ARG 48 HH22 ARG 48 -6.919 7.414 37.160 399 H GLY 49 H GLY 49 -0.032 1.339 38.084 400 HA2 GLY 49 HA2 GLY 49 1.871 3.143 36.895 401 HA3 GLY 49 HA3 GLY 49 2.097 2.203 38.363 402 H GLU 50 H GLU 50 1.084 0.030 36.155 403 HA GLU 50 HA GLU 50 3.636 -1.178 35.896 404 HB2 GLU 50 HB2 GLU 50 1.126 -2.125 35.757 405 HB3 GLU 50 HB3 GLU 50 1.466 -1.980 34.039 406 HG2 GLU 50 HG2 GLU 50 3.592 -3.294 34.511 407 HG3 GLU 50 HG3 GLU 50 2.878 -3.658 36.081 408 H LEU 51 H LEU 51 1.668 0.818 33.780 409 HA LEU 51 HA LEU 51 3.708 0.624 31.679 410 HB2 LEU 51 HB2 LEU 51 1.411 0.183 30.995 411 HB3 LEU 51 HB3 LEU 51 0.916 1.761 31.605 412 HG LEU 51 HG LEU 51 2.998 1.613 29.471 413 HD11 LEU 51 HD11 LEU 51 0.878 1.910 27.932 414 HD12 LEU 51 HD12 LEU 51 0.120 0.929 29.187 415 HD13 LEU 51 HD13 LEU 51 1.523 0.314 28.313 416 HD21 LEU 51 HD21 LEU 51 1.203 3.644 28.961 417 HD22 LEU 51 HD22 LEU 51 2.761 3.810 29.771 418 HD23 LEU 51 HD23 LEU 51 1.290 3.603 30.722 419 H GLU 52 H GLU 52 1.818 3.027 33.494 420 HA GLU 52 HA GLU 52 3.279 5.255 32.471 421 HB2 GLU 52 HB2 GLU 52 1.022 5.585 33.253 422 HB3 GLU 52 HB3 GLU 52 1.437 4.973 34.848 423 HG2 GLU 52 HG2 GLU 52 1.269 7.355 34.949 424 HG3 GLU 52 HG3 GLU 52 2.959 6.895 35.148 425 H GLY 53 H GLY 53 3.211 3.696 35.683 426 HA2 GLY 53 HA2 GLY 53 5.313 5.194 36.791 427 HA3 GLY 53 HA3 GLY 53 4.778 3.618 37.357 428 H LEU 54 H LEU 54 5.425 1.844 35.563 429 HA LEU 54 HA LEU 54 8.301 1.840 35.610 430 HB2 LEU 54 HB2 LEU 54 6.520 -0.185 34.282 431 HB3 LEU 54 HB3 LEU 54 8.162 -0.411 34.880 432 HG LEU 54 HG LEU 54 5.707 0.011 36.583 433 HD11 LEU 54 HD11 LEU 54 5.373 -2.164 36.282 434 HD12 LEU 54 HD12 LEU 54 6.880 -2.443 37.153 435 HD13 LEU 54 HD13 LEU 54 6.885 -2.341 35.392 436 HD21 LEU 54 HD21 LEU 54 7.353 0.848 37.929 437 HD22 LEU 54 HD22 LEU 54 8.619 -0.121 37.175 438 HD23 LEU 54 HD23 LEU 54 7.495 -0.868 38.311 439 H ILE 55 H ILE 55 8.985 0.466 33.327 440 HA ILE 55 HA ILE 55 8.374 2.400 31.187 441 HB ILE 55 HB ILE 55 10.680 1.894 30.308 442 HG12 ILE 55 HG12 ILE 55 10.915 0.605 33.030 443 HG13 ILE 55 HG13 ILE 55 11.198 -0.142 31.461 444 HG21 ILE 55 HG21 ILE 55 11.620 3.638 31.484 445 HG22 ILE 55 HG22 ILE 55 9.904 3.881 31.807 446 HG23 ILE 55 HG23 ILE 55 10.930 3.116 33.020 447 HD11 ILE 55 HD11 ILE 55 13.330 0.220 32.254 448 HD12 ILE 55 HD12 ILE 55 13.063 1.630 31.229 449 HD13 ILE 55 HD13 ILE 55 12.910 1.772 32.980 450 HA PRO 56 HA PRO 56 7.262 -0.913 28.534 451 HB2 PRO 56 HB2 PRO 56 8.272 -0.107 26.146 452 HB3 PRO 56 HB3 PRO 56 6.867 0.655 26.901 453 HG2 PRO 56 HG2 PRO 56 9.725 1.547 26.883 454 HG3 PRO 56 HG3 PRO 56 8.251 2.507 26.657 455 HD2 PRO 56 HD2 PRO 56 9.592 2.425 29.009 456 HD3 PRO 56 HD3 PRO 56 7.830 2.622 28.921 457 H VAL 57 H VAL 57 10.641 0.124 28.123 458 HA VAL 57 HA VAL 57 11.580 -2.221 26.897 459 HB VAL 57 HB VAL 57 13.118 -0.304 28.656 460 HG11 VAL 57 HG11 VAL 57 14.625 -1.993 28.464 461 HG12 VAL 57 HG12 VAL 57 13.901 -2.619 26.981 462 HG13 VAL 57 HG13 VAL 57 14.937 -1.192 26.924 463 HG21 VAL 57 HG21 VAL 57 13.539 -0.064 25.807 464 HG22 VAL 57 HG22 VAL 57 11.846 0.192 26.232 465 HG23 VAL 57 HG23 VAL 57 13.103 1.171 26.988 466 H ASP 58 H ASP 58 10.705 -1.563 30.148 467 HA ASP 58 HA ASP 58 12.237 -3.795 31.222 468 HB2 ASP 58 HB2 ASP 58 11.985 -1.668 32.505 469 HB3 ASP 58 HB3 ASP 58 10.259 -1.994 32.632 470 H LEU 59 H LEU 59 8.803 -2.819 31.214 471 HA LEU 59 HA LEU 59 7.793 -5.286 32.072 472 HB2 LEU 59 HB2 LEU 59 5.909 -4.125 32.101 473 HB3 LEU 59 HB3 LEU 59 6.764 -2.783 31.344 474 HG LEU 59 HG LEU 59 5.480 -4.967 29.726 475 HD11 LEU 59 HD11 LEU 59 3.736 -4.034 31.120 476 HD12 LEU 59 HD12 LEU 59 3.549 -3.469 29.460 477 HD13 LEU 59 HD13 LEU 59 4.229 -2.397 30.685 478 HD21 LEU 59 HD21 LEU 59 6.185 -3.798 27.971 479 HD22 LEU 59 HD22 LEU 59 7.149 -2.831 29.087 480 HD23 LEU 59 HD23 LEU 59 5.531 -2.298 28.629 481 H ALA 60 H ALA 60 8.664 -4.113 28.894 482 HA ALA 60 HA ALA 60 7.362 -6.065 27.343 483 HB1 ALA 60 HB1 ALA 60 8.268 -4.017 26.382 484 HB2 ALA 60 HB2 ALA 60 9.907 -4.562 26.743 485 HB3 ALA 60 HB3 ALA 60 8.924 -5.439 25.570 486 H GLU 61 H GLU 61 10.701 -5.939 28.578 487 HA GLU 61 HA GLU 61 11.602 -8.349 27.530 488 HB2 GLU 61 HB2 GLU 61 13.423 -8.167 28.972 489 HB3 GLU 61 HB3 GLU 61 12.890 -6.501 28.796 490 HG2 GLU 61 HG2 GLU 61 12.965 -6.433 31.018 491 HG3 GLU 61 HG3 GLU 61 11.447 -7.328 30.957 492 H LEU 62 H LEU 62 9.607 -7.709 30.324 493 HA LEU 62 HA LEU 62 9.835 -10.333 31.444 494 HB2 LEU 62 HB2 LEU 62 9.280 -8.615 32.950 495 HB3 LEU 62 HB3 LEU 62 7.989 -8.013 31.913 496 HG LEU 62 HG LEU 62 7.685 -10.758 32.992 497 HD11 LEU 62 HD11 LEU 62 8.355 -9.884 35.024 498 HD12 LEU 62 HD12 LEU 62 6.615 -9.604 35.050 499 HD13 LEU 62 HD13 LEU 62 7.714 -8.280 34.665 500 HD21 LEU 62 HD21 LEU 62 5.892 -10.090 31.688 501 HD22 LEU 62 HD22 LEU 62 5.945 -8.429 32.282 502 HD23 LEU 62 HD23 LEU 62 5.335 -9.719 33.320 503 H LEU 63 H LEU 63 7.375 -8.651 29.512 504 HA LEU 63 HA LEU 63 5.521 -10.758 29.411 505 HB2 LEU 63 HB2 LEU 63 5.395 -8.235 28.669 506 HB3 LEU 63 HB3 LEU 63 5.839 -8.904 27.100 507 HG LEU 63 HG LEU 63 3.681 -10.442 28.113 508 HD11 LEU 63 HD11 LEU 63 2.107 -9.011 28.864 509 HD12 LEU 63 HD12 LEU 63 2.688 -7.675 27.871 510 HD13 LEU 63 HD13 LEU 63 3.514 -8.079 29.376 511 HD21 LEU 63 HD21 LEU 63 4.334 -8.744 25.795 512 HD22 LEU 63 HD22 LEU 63 2.616 -8.982 26.114 513 HD23 LEU 63 HD23 LEU 63 3.668 -10.375 25.859 514 H ILE 64 H ILE 64 8.020 -9.787 27.065 515 HA ILE 64 HA ILE 64 7.582 -11.801 25.191 516 HB ILE 64 HB ILE 64 9.917 -11.438 24.471 517 HG12 ILE 64 HG12 ILE 64 10.917 -9.347 25.844 518 HG13 ILE 64 HG13 ILE 64 10.056 -10.160 27.146 519 HG21 ILE 64 HG21 ILE 64 9.385 -9.493 23.465 520 HG22 ILE 64 HG22 ILE 64 7.824 -9.756 24.241 521 HG23 ILE 64 HG23 ILE 64 9.010 -8.685 24.986 522 HD11 ILE 64 HD11 ILE 64 11.627 -11.711 27.315 523 HD12 ILE 64 HD12 ILE 64 11.612 -12.019 25.579 524 HD13 ILE 64 HD13 ILE 64 12.605 -10.717 26.235 525 H SER 65 H SER 65 9.379 -11.841 28.201 526 HA SER 65 HA SER 65 10.576 -14.411 27.709 527 HB2 SER 65 HB2 SER 65 11.556 -12.587 29.187 528 HB3 SER 65 HB3 SER 65 10.328 -13.016 30.378 529 HG SER 65 HG SER 65 11.845 -15.095 29.322 530 H LYS 66 H LYS 66 7.636 -13.223 29.088 531 HA LYS 66 HA LYS 66 6.872 -15.218 30.821 532 HB2 LYS 66 HB2 LYS 66 5.487 -13.289 30.564 533 HB3 LYS 66 HB3 LYS 66 5.233 -13.619 28.855 534 HG2 LYS 66 HG2 LYS 66 3.247 -14.185 30.070 535 HG3 LYS 66 HG3 LYS 66 3.996 -15.668 29.473 536 HD2 LYS 66 HD2 LYS 66 3.539 -16.287 31.631 537 HD3 LYS 66 HD3 LYS 66 5.163 -15.628 31.837 538 HE2 LYS 66 HE2 LYS 66 2.909 -13.726 32.080 539 HE3 LYS 66 HE3 LYS 66 3.082 -14.917 33.368 540 HZ1 LYS 66 HZ1 LYS 66 4.349 -12.604 33.382 541 HZ2 LYS 66 HZ2 LYS 66 5.500 -13.516 32.544 542 HZ3 LYS 66 HZ3 LYS 66 5.000 -13.997 34.087 543 H TYR 67 H TYR 67 5.897 -15.111 27.388 544 HA TYR 67 HA TYR 67 6.018 -18.053 27.363 545 HB2 TYR 67 HB2 TYR 67 3.666 -17.050 27.437 546 HB3 TYR 67 HB3 TYR 67 3.982 -16.466 25.806 547 HD1 TYR 67 HD2 TYR 67 4.903 -19.712 27.389 548 HD2 TYR 67 HD1 TYR 67 2.588 -17.720 24.427 549 HE1 TYR 67 HE2 TYR 67 4.204 -21.888 26.480 550 HE2 TYR 67 HE1 TYR 67 1.881 -19.890 23.511 551 HH TYR 67 HH TYR 67 3.322 -22.613 23.912 552 H GLY 68 H GLY 68 6.208 -15.058 25.502 553 HA2 GLY 68 HA2 GLY 68 8.413 -15.822 23.987 554 HA3 GLY 68 HA3 GLY 68 6.987 -16.245 23.050 555 H GLU 69 H GLU 69 9.153 -14.202 22.666 556 HA GLU 69 HA GLU 69 8.035 -11.626 23.035 557 HB2 GLU 69 HB2 GLU 69 9.808 -10.833 21.592 558 HB3 GLU 69 HB3 GLU 69 10.451 -12.043 22.695 559 HG2 GLU 69 HG2 GLU 69 10.429 -13.707 20.955 560 HG3 GLU 69 HG3 GLU 69 9.654 -12.579 19.844 561 H LYS 70 H LYS 70 7.745 -14.035 20.532 562 HA LYS 70 HA LYS 70 6.785 -12.451 18.437 563 HB2 LYS 70 HB2 LYS 70 7.410 -15.009 18.577 564 HB3 LYS 70 HB3 LYS 70 5.687 -15.197 18.878 565 HG2 LYS 70 HG2 LYS 70 5.698 -15.413 16.619 566 HG3 LYS 70 HG3 LYS 70 5.508 -13.662 16.735 567 HD2 LYS 70 HD2 LYS 70 8.285 -14.658 16.736 568 HD3 LYS 70 HD3 LYS 70 7.390 -14.876 15.229 569 HE2 LYS 70 HE2 LYS 70 6.736 -12.389 15.551 570 HE3 LYS 70 HE3 LYS 70 8.106 -12.344 16.659 571 HZ1 LYS 70 HZ1 LYS 70 9.544 -13.079 14.880 572 HZ2 LYS 70 HZ2 LYS 70 8.724 -11.677 14.411 573 HZ3 LYS 70 HZ3 LYS 70 8.235 -13.182 13.813 574 H GLU 71 H GLU 71 4.684 -14.674 20.245 575 HA GLU 71 HA GLU 71 2.288 -13.469 19.614 576 HB2 GLU 71 HB2 GLU 71 1.467 -14.507 21.809 577 HB3 GLU 71 HB3 GLU 71 2.156 -15.590 20.608 578 HG2 GLU 71 HG2 GLU 71 4.065 -14.515 22.562 579 HG3 GLU 71 HG3 GLU 71 2.825 -15.580 23.221 580 H ALA 72 H ALA 72 4.665 -12.492 21.939 581 HA ALA 72 HA ALA 72 3.254 -10.953 23.721 582 HB1 ALA 72 HB1 ALA 72 5.590 -9.495 22.974 583 HB2 ALA 72 HB2 ALA 72 5.308 -10.479 24.411 584 HB3 ALA 72 HB3 ALA 72 5.954 -11.220 22.947 585 H VAL 73 H VAL 73 4.781 -9.651 20.765 586 HA VAL 73 HA VAL 73 3.534 -7.151 20.863 587 HB VAL 73 HB VAL 73 4.795 -8.719 18.641 588 HG11 VAL 73 HG11 VAL 73 4.525 -6.389 17.415 589 HG12 VAL 73 HG12 VAL 73 3.304 -7.655 17.278 590 HG13 VAL 73 HG13 VAL 73 3.064 -6.315 18.401 591 HG21 VAL 73 HG21 VAL 73 5.612 -6.743 20.562 592 HG22 VAL 73 HG22 VAL 73 6.596 -7.698 19.453 593 HG23 VAL 73 HG23 VAL 73 5.907 -6.163 18.923 594 H LYS 74 H LYS 74 2.527 -10.176 19.355 595 HA LYS 74 HA LYS 74 0.332 -9.167 17.911 596 HB2 LYS 74 HB2 LYS 74 1.469 -11.729 18.503 597 HB3 LYS 74 HB3 LYS 74 -0.269 -11.806 18.757 598 HG2 LYS 74 HG2 LYS 74 -0.723 -11.187 16.527 599 HG3 LYS 74 HG3 LYS 74 0.949 -10.697 16.246 600 HD2 LYS 74 HD2 LYS 74 1.662 -12.829 15.927 601 HD3 LYS 74 HD3 LYS 74 0.511 -13.501 17.085 602 HE2 LYS 74 HE2 LYS 74 -1.183 -13.629 15.530 603 HE3 LYS 74 HE3 LYS 74 -0.500 -12.351 14.525 604 HZ1 LYS 74 HZ1 LYS 74 0.959 -13.787 13.529 605 HZ2 LYS 74 HZ2 LYS 74 -0.359 -14.817 13.774 606 HZ3 LYS 74 HZ3 LYS 74 0.968 -14.878 14.822 607 H VAL 75 H VAL 75 0.642 -10.348 21.221 608 HA VAL 75 HA VAL 75 -2.103 -10.369 21.861 609 HB VAL 75 HB VAL 75 0.156 -11.130 23.178 610 HG11 VAL 75 HG11 VAL 75 0.463 -8.667 23.767 611 HG12 VAL 75 HG12 VAL 75 -0.920 -8.874 24.843 612 HG13 VAL 75 HG13 VAL 75 0.542 -9.828 25.091 613 HG21 VAL 75 HG21 VAL 75 -2.585 -11.377 23.479 614 HG22 VAL 75 HG22 VAL 75 -1.349 -12.243 24.392 615 HG23 VAL 75 HG23 VAL 75 -2.040 -10.753 25.036 616 H VAL 76 H VAL 76 0.170 -7.804 21.516 617 HA VAL 76 HA VAL 76 -1.303 -5.900 23.103 618 HB VAL 76 HB VAL 76 1.136 -5.772 21.383 619 HG11 VAL 76 HG11 VAL 76 1.115 -3.251 21.945 620 HG12 VAL 76 HG12 VAL 76 0.159 -3.824 20.577 621 HG13 VAL 76 HG13 VAL 76 -0.627 -3.465 22.115 622 HG21 VAL 76 HG21 VAL 76 0.553 -4.811 24.183 623 HG22 VAL 76 HG22 VAL 76 1.283 -6.363 23.771 624 HG23 VAL 76 HG23 VAL 76 2.132 -4.863 23.399 625 H LEU 77 H LEU 77 -0.640 -6.306 19.624 626 HA LEU 77 HA LEU 77 -2.377 -4.229 18.797 627 HB2 LEU 77 HB2 LEU 77 -2.197 -5.342 16.555 628 HB3 LEU 77 HB3 LEU 77 -0.670 -4.887 17.306 629 HG LEU 77 HG LEU 77 -0.936 -7.480 18.116 630 HD11 LEU 77 HD11 LEU 77 -2.790 -7.169 16.018 631 HD12 LEU 77 HD12 LEU 77 -2.268 -8.661 16.799 632 HD13 LEU 77 HD13 LEU 77 -1.422 -8.072 15.368 633 HD21 LEU 77 HD21 LEU 77 0.530 -7.798 15.892 634 HD22 LEU 77 HD22 LEU 77 1.140 -7.019 17.352 635 HD23 LEU 77 HD23 LEU 77 0.548 -6.038 16.010 636 H LYS 78 H LYS 78 -2.759 -7.769 18.809 637 HA LYS 78 HA LYS 78 -5.291 -7.978 17.758 638 HB2 LYS 78 HB2 LYS 78 -3.643 -9.809 18.577 639 HB3 LYS 78 HB3 LYS 78 -4.477 -9.650 20.117 640 HG2 LYS 78 HG2 LYS 78 -6.308 -9.936 17.879 641 HG3 LYS 78 HG3 LYS 78 -5.197 -11.299 18.039 642 HD2 LYS 78 HD2 LYS 78 -6.916 -11.960 19.420 643 HD3 LYS 78 HD3 LYS 78 -5.853 -11.146 20.570 644 HE2 LYS 78 HE2 LYS 78 -7.270 -9.384 20.841 645 HE3 LYS 78 HE3 LYS 78 -7.896 -9.493 19.197 646 HZ1 LYS 78 HZ1 LYS 78 -8.771 -10.875 21.614 647 HZ2 LYS 78 HZ2 LYS 78 -8.858 -11.738 20.163 648 HZ3 LYS 78 HZ3 LYS 78 -9.683 -10.270 20.324 649 H GLY 79 H GLY 79 -4.405 -7.407 21.153 650 HA2 GLY 79 HA2 GLY 79 -7.153 -7.207 21.990 651 HA3 GLY 79 HA3 GLY 79 -5.735 -6.872 22.972 652 H LEU 80 H LEU 80 -4.743 -5.003 20.827 653 HA LEU 80 HA LEU 80 -5.923 -2.634 21.903 654 HB2 LEU 80 HB2 LEU 80 -3.767 -3.278 19.974 655 HB3 LEU 80 HB3 LEU 80 -4.491 -1.675 19.869 656 HG LEU 80 HG LEU 80 -3.132 -2.853 22.292 657 HD11 LEU 80 HD11 LEU 80 -2.221 -0.499 20.674 658 HD12 LEU 80 HD12 LEU 80 -1.733 -2.144 20.268 659 HD13 LEU 80 HD13 LEU 80 -1.314 -1.463 21.840 660 HD21 LEU 80 HD21 LEU 80 -5.011 -0.707 22.024 661 HD22 LEU 80 HD22 LEU 80 -3.439 -0.068 22.508 662 HD23 LEU 80 HD23 LEU 80 -4.218 -1.321 23.475 663 H LYS 81 H LYS 81 -6.351 -4.522 19.006 664 HA LYS 81 HA LYS 81 -7.567 -2.716 17.305 665 HB2 LYS 81 HB2 LYS 81 -7.664 -5.647 17.682 666 HB3 LYS 81 HB3 LYS 81 -9.012 -4.951 16.792 667 HG2 LYS 81 HG2 LYS 81 -6.774 -3.755 15.679 668 HG3 LYS 81 HG3 LYS 81 -6.290 -5.430 15.951 669 HD2 LYS 81 HD2 LYS 81 -7.370 -5.949 14.073 670 HD3 LYS 81 HD3 LYS 81 -8.875 -5.590 14.923 671 HE2 LYS 81 HE2 LYS 81 -8.836 -3.319 14.149 672 HE3 LYS 81 HE3 LYS 81 -7.228 -3.534 13.458 673 HZ1 LYS 81 HZ1 LYS 81 -8.274 -5.284 12.006 674 HZ2 LYS 81 HZ2 LYS 81 -8.734 -3.689 11.680 675 HZ3 LYS 81 HZ3 LYS 81 -9.780 -4.714 12.527 676 H VAL 82 H VAL 82 -9.226 -4.872 19.617 677 HA VAL 82 HA VAL 82 -11.790 -3.807 19.255 678 HB VAL 82 HB VAL 82 -10.858 -4.919 21.888 679 HG11 VAL 82 HG11 VAL 82 -13.343 -5.935 20.897 680 HG12 VAL 82 HG12 VAL 82 -13.029 -4.982 22.349 681 HG13 VAL 82 HG13 VAL 82 -13.352 -4.174 20.815 682 HG21 VAL 82 HG21 VAL 82 -11.242 -6.357 19.285 683 HG22 VAL 82 HG22 VAL 82 -9.922 -6.497 20.447 684 HG23 VAL 82 HG23 VAL 82 -11.507 -7.172 20.826 685 H MET 83 H MET 83 -9.108 -2.295 20.493 686 HA MET 83 HA MET 83 -10.662 -0.572 22.292 687 HB2 MET 83 HB2 MET 83 -8.516 -1.634 23.097 688 HB3 MET 83 HB3 MET 83 -7.665 -0.620 21.939 689 HG2 MET 83 HG2 MET 83 -7.526 0.453 24.038 690 HG3 MET 83 HG3 MET 83 -8.678 1.367 23.067 691 HE1 MET 83 HE1 MET 83 -9.178 1.248 26.958 692 HE2 MET 83 HE2 MET 83 -8.694 -0.447 26.897 693 HE3 MET 83 HE3 MET 83 -7.742 0.774 26.050 694 H ASN 84 H ASN 84 -9.497 -0.707 19.153 695 HA ASN 84 HA ASN 84 -9.597 0.813 17.450 696 HB2 ASN 84 HB2 ASN 84 -11.340 1.884 19.297 697 HB3 ASN 84 HB3 ASN 84 -10.198 3.200 19.040 698 HD21 ASN 84 HD21 ASN 84 -12.993 3.032 18.300 699 HD22 ASN 84 HD22 ASN 84 -13.057 3.242 16.586 700 H LEU 85 H LEU 85 -7.251 0.313 19.127 701 HA LEU 85 HA LEU 85 -5.846 2.867 19.136 702 HB2 LEU 85 HB2 LEU 85 -5.517 0.269 20.425 703 HB3 LEU 85 HB3 LEU 85 -4.006 0.949 19.826 704 HG LEU 85 HG LEU 85 -4.113 1.657 22.043 705 HD11 LEU 85 HD11 LEU 85 -5.440 4.080 21.030 706 HD12 LEU 85 HD12 LEU 85 -4.081 3.495 20.070 707 HD13 LEU 85 HD13 LEU 85 -3.855 3.876 21.777 708 HD21 LEU 85 HD21 LEU 85 -6.659 2.983 22.193 709 HD22 LEU 85 HD22 LEU 85 -5.995 1.712 23.221 710 HD23 LEU 85 HD23 LEU 85 -6.873 1.289 21.751 711 H LEU 86 H LEU 86 -6.674 1.567 16.626 712 HA LEU 86 HA LEU 86 -4.542 0.320 15.317 713 HB2 LEU 86 HB2 LEU 86 -6.484 2.167 13.965 714 HB3 LEU 86 HB3 LEU 86 -5.685 0.744 13.300 715 HG LEU 86 HG LEU 86 -7.235 -0.143 15.484 716 HD11 LEU 86 HD11 LEU 86 -8.364 2.147 15.026 717 HD12 LEU 86 HD12 LEU 86 -9.364 0.707 15.205 718 HD13 LEU 86 HD13 LEU 86 -9.015 1.344 13.598 719 HD21 LEU 86 HD21 LEU 86 -8.391 -1.412 13.777 720 HD22 LEU 86 HD22 LEU 86 -6.661 -1.381 13.434 721 HD23 LEU 86 HD23 LEU 86 -7.761 -0.347 12.520 722 H GLU 87 H GLU 87 -4.863 3.522 16.384 723 HA GLU 87 HA GLU 87 -3.520 5.026 14.492 724 HB2 GLU 87 HB2 GLU 87 -4.516 6.123 16.364 725 HB3 GLU 87 HB3 GLU 87 -3.528 5.217 17.502 726 HG2 GLU 87 HG2 GLU 87 -1.751 6.575 17.254 727 HG3 GLU 87 HG3 GLU 87 -2.056 6.843 15.539 728 H LEU 88 H LEU 88 -1.840 4.184 17.491 729 HA LEU 88 HA LEU 88 0.708 4.253 16.249 730 HB2 LEU 88 HB2 LEU 88 1.586 3.923 18.340 731 HB3 LEU 88 HB3 LEU 88 0.013 4.615 18.729 732 HG LEU 88 HG LEU 88 0.458 2.824 20.251 733 HD11 LEU 88 HD11 LEU 88 -1.371 1.244 18.677 734 HD12 LEU 88 HD12 LEU 88 -1.787 2.956 18.613 735 HD13 LEU 88 HD13 LEU 88 -1.652 2.139 20.170 736 HD21 LEU 88 HD21 LEU 88 1.888 1.695 18.203 737 HD22 LEU 88 HD22 LEU 88 0.477 0.642 18.314 738 HD23 LEU 88 HD23 LEU 88 1.491 0.911 19.732 739 H VAL 89 H VAL 89 -1.615 1.739 16.819 740 HA VAL 89 HA VAL 89 0.098 -0.496 16.601 741 HB VAL 89 HB VAL 89 -2.851 -0.111 16.216 742 HG11 VAL 89 HG11 VAL 89 -2.951 -2.640 15.987 743 HG12 VAL 89 HG12 VAL 89 -2.430 -1.735 14.564 744 HG13 VAL 89 HG13 VAL 89 -1.240 -2.564 15.568 745 HG21 VAL 89 HG21 VAL 89 -1.034 -1.170 18.281 746 HG22 VAL 89 HG22 VAL 89 -2.587 -0.349 18.446 747 HG23 VAL 89 HG23 VAL 89 -2.535 -2.066 18.045 748 H ASP 90 H ASP 90 -1.390 1.594 14.244 749 HA ASP 90 HA ASP 90 -1.476 0.170 11.946 750 HB2 ASP 90 HB2 ASP 90 -1.679 2.775 12.455 751 HB3 ASP 90 HB3 ASP 90 -0.055 2.784 11.775 752 H GLN 91 H GLN 91 1.475 1.716 13.213 753 HA GLN 91 HA GLN 91 3.133 0.443 11.239 754 HB2 GLN 91 HB2 GLN 91 3.387 2.641 12.949 755 HB3 GLN 91 HB3 GLN 91 4.580 1.484 13.522 756 HG2 GLN 91 HG2 GLN 91 5.553 1.356 11.302 757 HG3 GLN 91 HG3 GLN 91 4.333 2.471 10.690 758 HE21 GLN 91 HE21 GLN 91 7.294 2.631 10.838 759 HE22 GLN 91 HE22 GLN 91 7.624 4.120 11.650 760 H LEU 92 H LEU 92 3.079 0.270 14.805 761 HA LEU 92 HA LEU 92 4.796 -1.684 15.374 762 HB2 LEU 92 HB2 LEU 92 3.506 -0.790 17.132 763 HB3 LEU 92 HB3 LEU 92 1.996 -1.336 16.404 764 HG LEU 92 HG LEU 92 2.875 -2.562 18.485 765 HD11 LEU 92 HD11 LEU 92 1.479 -4.206 17.907 766 HD12 LEU 92 HD12 LEU 92 2.422 -4.634 16.481 767 HD13 LEU 92 HD13 LEU 92 1.261 -3.309 16.405 768 HD21 LEU 92 HD21 LEU 92 4.410 -4.308 16.672 769 HD22 LEU 92 HD22 LEU 92 4.688 -3.899 18.365 770 HD23 LEU 92 HD23 LEU 92 5.171 -2.774 17.095 771 H SER 93 H SER 93 1.484 -2.352 14.244 772 HA SER 93 HA SER 93 1.749 -5.144 14.130 773 HB2 SER 93 HB2 SER 93 -0.268 -5.123 12.785 774 HB3 SER 93 HB3 SER 93 -0.419 -3.910 14.055 775 HG SER 93 HG SER 93 -1.063 -2.984 12.135 776 H HIS 94 H HIS 94 2.104 -2.689 11.581 777 HA HIS 94 HA HIS 94 2.864 -4.565 9.577 778 HB2 HIS 94 HB2 HIS 94 2.257 -1.796 9.698 779 HB3 HIS 94 HB3 HIS 94 3.857 -1.947 8.979 780 HD1 HIS 94 HD1 HIS 94 0.529 -1.691 7.952 781 HD2 HIS 94 HD2 HIS 94 3.652 -4.207 6.866 782 HE1 HIS 94 HE1 HIS 94 -0.089 -2.590 5.686 783 H ILE 95 H ILE 95 4.454 -3.638 12.282 784 HA ILE 95 HA ILE 95 7.114 -3.695 11.040 785 HB ILE 95 HB ILE 95 6.256 -2.899 13.822 786 HG12 ILE 95 HG12 ILE 95 7.695 -1.183 11.818 787 HG13 ILE 95 HG13 ILE 95 5.945 -1.364 11.744 788 HG21 ILE 95 HG21 ILE 95 8.639 -2.270 14.144 789 HG22 ILE 95 HG22 ILE 95 8.376 -4.007 14.002 790 HG23 ILE 95 HG23 ILE 95 9.019 -3.098 12.635 791 HD11 ILE 95 HD11 ILE 95 5.839 -0.574 14.101 792 HD12 ILE 95 HD12 ILE 95 7.567 -0.235 14.007 793 HD13 ILE 95 HD13 ILE 95 6.442 0.621 12.954 794 H CYS 96 H CYS 96 5.009 -5.408 13.243 795 HA CYS 96 HA CYS 96 7.107 -7.394 13.756 796 HB2 CYS 96 HB2 CYS 96 5.494 -6.264 15.551 797 HB3 CYS 96 HB3 CYS 96 4.432 -7.575 15.056 798 HG CYS 96 HG CYS 96 6.926 -7.645 17.164 799 H LEU 97 H LEU 97 3.689 -7.207 12.781 800 HA LEU 97 HA LEU 97 3.900 -9.030 10.684 801 HB2 LEU 97 HB2 LEU 97 2.425 -10.815 12.009 802 HB3 LEU 97 HB3 LEU 97 4.180 -10.916 11.886 803 HG LEU 97 HG LEU 97 4.407 -9.942 14.107 804 HD11 LEU 97 HD11 LEU 97 2.355 -8.546 13.995 805 HD12 LEU 97 HD12 LEU 97 2.520 -9.452 15.498 806 HD13 LEU 97 HD13 LEU 97 1.399 -10.005 14.255 807 HD21 LEU 97 HD21 LEU 97 4.176 -12.383 13.847 808 HD22 LEU 97 HD22 LEU 97 2.437 -12.226 14.096 809 HD23 LEU 97 HD23 LEU 97 3.556 -11.804 15.393 810 H HIS 98 H HIS 98 2.575 -7.405 9.806 811 HA HIS 98 HA HIS 98 -0.061 -6.965 10.931 812 HB2 HIS 98 HB2 HIS 98 0.971 -5.019 10.030 813 HB3 HIS 98 HB3 HIS 98 1.377 -5.843 8.528 814 HD1 HIS 98 HD1 HIS 98 -1.335 -3.977 10.216 815 HD2 HIS 98 HD2 HIS 98 -0.812 -6.187 6.738 816 HE1 HIS 98 HE1 HIS 98 -3.327 -3.446 8.777 817 H ASP 99 H ASP 99 1.426 -8.863 8.448 818 HA ASP 99 HA ASP 99 -0.950 -9.374 6.942 819 HB2 ASP 99 HB2 ASP 99 0.477 -11.312 6.038 820 HB3 ASP 99 HB3 ASP 99 1.048 -9.673 5.740 821 H TYR 100 H TYR 100 0.401 -10.631 9.841 822 HA TYR 100 HA TYR 100 -1.185 -13.075 9.725 823 HB2 TYR 100 HB2 TYR 100 0.761 -12.046 11.799 824 HB3 TYR 100 HB3 TYR 100 -0.085 -13.586 11.904 825 HD1 TYR 100 HD1 TYR 100 0.110 -14.337 8.967 826 HD2 TYR 100 HD2 TYR 100 2.992 -12.833 11.712 827 HE1 TYR 100 HE1 TYR 100 1.901 -15.411 7.667 828 HE2 TYR 100 HE2 TYR 100 4.791 -13.902 10.419 829 HH TYR 100 HH TYR 100 5.262 -15.343 8.764 830 H ARG 101 H ARG 101 -1.267 -9.911 11.103 831 HA ARG 101 HA ARG 101 -3.945 -10.293 12.035 832 HB2 ARG 101 HB2 ARG 101 -1.816 -10.745 13.884 833 HB3 ARG 101 HB3 ARG 101 -2.648 -9.267 14.347 834 HG2 ARG 101 HG2 ARG 101 -4.460 -11.447 13.667 835 HG3 ARG 101 HG3 ARG 101 -3.398 -11.806 15.030 836 HD2 ARG 101 HD2 ARG 101 -5.294 -10.815 15.991 837 HD3 ARG 101 HD3 ARG 101 -4.085 -9.532 15.951 838 HE ARG 101 HE ARG 101 -5.412 -8.375 14.487 839 HH11 ARG 101 HH11 ARG 101 -6.500 -11.678 14.651 840 HH12 ARG 101 HH12 ARG 101 -7.930 -11.391 13.716 841 HH21 ARG 101 HH21 ARG 101 -7.292 -7.984 13.256 842 HH22 ARG 101 HH22 ARG 101 -8.379 -9.289 12.923 843 H GLU 102 H GLU 102 -4.349 -8.572 10.627 844 HA GLU 102 HA GLU 102 -2.981 -6.116 10.645 845 HB2 GLU 102 HB2 GLU 102 -4.971 -5.234 9.460 846 HB3 GLU 102 HB3 GLU 102 -4.376 -6.738 8.773 847 HG2 GLU 102 HG2 GLU 102 -6.133 -7.947 10.043 848 HG3 GLU 102 HG3 GLU 102 -6.773 -6.386 10.554 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.403 -1.905 9.197 2 HA2 GLY 1 HA2 GLY 1 -10.694 0.315 10.870 3 HA3 GLY 1 HA3 GLY 1 -9.488 -0.962 10.911 4 H ALA 2 H ALA 2 -7.929 -0.884 9.436 5 HA ALA 2 HA ALA 2 -8.323 -0.146 6.734 6 HB1 ALA 2 HB1 ALA 2 -7.835 2.032 6.633 7 HB2 ALA 2 HB2 ALA 2 -8.184 2.057 8.362 8 HB3 ALA 2 HB3 ALA 2 -6.521 1.883 7.801 9 H MET 3 H MET 3 -6.819 -1.199 5.616 10 HA MET 3 HA MET 3 -4.455 -2.181 7.009 11 HB2 MET 3 HB2 MET 3 -4.147 -3.564 4.948 12 HB3 MET 3 HB3 MET 3 -5.671 -3.843 5.780 13 HG2 MET 3 HG2 MET 3 -5.922 -1.781 3.774 14 HG3 MET 3 HG3 MET 3 -5.311 -3.287 3.091 15 HE1 MET 3 HE1 MET 3 -6.652 -5.592 3.119 16 HE2 MET 3 HE2 MET 3 -8.316 -5.338 2.594 17 HE3 MET 3 HE3 MET 3 -7.000 -4.470 1.803 18 H ALA 4 H ALA 4 -2.352 -1.785 6.363 19 HA ALA 4 HA ALA 4 -1.990 0.303 4.316 20 HB1 ALA 4 HB1 ALA 4 -1.728 1.383 6.430 21 HB2 ALA 4 HB2 ALA 4 -0.655 0.108 7.009 22 HB3 ALA 4 HB3 ALA 4 -0.124 1.189 5.721 23 H MET 5 H MET 5 0.089 0.319 3.266 24 HA MET 5 HA MET 5 1.628 -2.167 3.521 25 HB2 MET 5 HB2 MET 5 0.059 -1.274 1.213 26 HB3 MET 5 HB3 MET 5 1.726 -1.669 0.818 27 HG2 MET 5 HG2 MET 5 1.367 -3.853 1.018 28 HG3 MET 5 HG3 MET 5 0.490 -3.656 2.534 29 HE1 MET 5 HE1 MET 5 -2.822 -4.118 2.084 30 HE2 MET 5 HE2 MET 5 -1.998 -5.592 1.573 31 HE3 MET 5 HE3 MET 5 -1.289 -4.574 2.828 32 H ALA 6 H ALA 6 3.461 -1.299 4.334 33 HA ALA 6 HA ALA 6 5.248 0.044 2.625 34 HB1 ALA 6 HB1 ALA 6 5.204 2.235 3.246 35 HB2 ALA 6 HB2 ALA 6 3.495 1.850 3.449 36 HB3 ALA 6 HB3 ALA 6 4.563 1.884 4.852 37 H LYS 7 H LYS 7 7.319 0.455 3.623 38 HA LYS 7 HA LYS 7 7.707 -1.195 6.021 39 HB2 LYS 7 HB2 LYS 7 9.702 -0.286 3.938 40 HB3 LYS 7 HB3 LYS 7 10.070 -1.314 5.316 41 HG2 LYS 7 HG2 LYS 7 9.524 -3.105 4.143 42 HG3 LYS 7 HG3 LYS 7 7.894 -2.471 3.903 43 HD2 LYS 7 HD2 LYS 7 10.284 -1.772 2.199 44 HD3 LYS 7 HD3 LYS 7 9.067 -2.980 1.781 45 HE2 LYS 7 HE2 LYS 7 7.339 -1.201 1.909 46 HE3 LYS 7 HE3 LYS 7 8.623 -0.024 2.183 47 HZ1 LYS 7 HZ1 LYS 7 9.586 -0.847 0.016 48 HZ2 LYS 7 HZ2 LYS 7 8.160 0.055 -0.098 49 HZ3 LYS 7 HZ3 LYS 7 8.110 -1.629 -0.250 50 H ALA 8 H ALA 8 8.198 -0.267 7.893 51 HA ALA 8 HA ALA 8 9.285 2.474 7.855 52 HB1 ALA 8 HB1 ALA 8 7.646 3.164 9.183 53 HB2 ALA 8 HB2 ALA 8 6.870 1.596 8.960 54 HB3 ALA 8 HB3 ALA 8 7.954 1.857 10.327 55 H ARG 9 H ARG 9 9.966 2.834 10.429 56 HA ARG 9 HA ARG 9 12.324 1.215 10.670 57 HB2 ARG 9 HB2 ARG 9 11.189 3.476 12.309 58 HB3 ARG 9 HB3 ARG 9 12.657 2.624 12.770 59 HG2 ARG 9 HG2 ARG 9 12.291 3.993 10.118 60 HG3 ARG 9 HG3 ARG 9 13.014 4.762 11.532 61 HD2 ARG 9 HD2 ARG 9 14.537 2.626 11.521 62 HD3 ARG 9 HD3 ARG 9 14.056 2.548 9.827 63 HE ARG 9 HE ARG 9 14.925 5.153 10.418 64 HH11 ARG 9 HH11 ARG 9 16.172 1.922 10.065 65 HH12 ARG 9 HH12 ARG 9 17.745 2.444 9.560 66 HH21 ARG 9 HH21 ARG 9 16.992 5.853 9.754 67 HH22 ARG 9 HH22 ARG 9 18.210 4.680 9.385 68 H LYS 10 H LYS 10 12.913 0.469 12.997 69 HA LYS 10 HA LYS 10 10.599 -0.909 14.188 70 HB2 LYS 10 HB2 LYS 10 13.055 -2.032 13.053 71 HB3 LYS 10 HB3 LYS 10 12.720 -2.595 14.685 72 HG2 LYS 10 HG2 LYS 10 10.694 -3.570 14.061 73 HG3 LYS 10 HG3 LYS 10 10.616 -2.657 12.552 74 HD2 LYS 10 HD2 LYS 10 12.943 -3.996 12.209 75 HD3 LYS 10 HD3 LYS 10 12.042 -5.155 13.189 76 HE2 LYS 10 HE2 LYS 10 10.198 -5.081 11.596 77 HE3 LYS 10 HE3 LYS 10 11.065 -3.889 10.630 78 HZ1 LYS 10 HZ1 LYS 10 12.530 -5.440 9.859 79 HZ2 LYS 10 HZ2 LYS 10 11.158 -6.414 10.034 80 HZ3 LYS 10 HZ3 LYS 10 12.375 -6.448 11.209 81 HA PRO 11 HA PRO 11 13.274 1.458 17.284 82 HB2 PRO 11 HB2 PRO 11 11.380 3.248 18.044 83 HB3 PRO 11 HB3 PRO 11 12.498 3.541 16.707 84 HG2 PRO 11 HG2 PRO 11 9.656 2.605 16.629 85 HG3 PRO 11 HG3 PRO 11 10.468 3.802 15.603 86 HD2 PRO 11 HD2 PRO 11 10.022 1.255 14.798 87 HD3 PRO 11 HD3 PRO 11 11.438 2.189 14.273 88 H ARG 12 H ARG 12 13.290 -0.141 18.799 89 HA ARG 12 HA ARG 12 11.077 -1.432 19.899 90 HB2 ARG 12 HB2 ARG 12 13.879 -0.994 20.909 91 HB3 ARG 12 HB3 ARG 12 12.695 -1.897 21.844 92 HG2 ARG 12 HG2 ARG 12 12.514 -3.565 20.166 93 HG3 ARG 12 HG3 ARG 12 13.436 -2.594 19.016 94 HD2 ARG 12 HD2 ARG 12 15.316 -2.719 20.791 95 HD3 ARG 12 HD3 ARG 12 14.391 -4.073 21.439 96 HE ARG 12 HE ARG 12 15.117 -5.347 19.688 97 HH11 ARG 12 HH11 ARG 12 15.578 -1.988 18.901 98 HH12 ARG 12 HH12 ARG 12 16.440 -2.315 17.434 99 HH21 ARG 12 HH21 ARG 12 16.251 -5.791 17.759 100 HH22 ARG 12 HH22 ARG 12 16.822 -4.478 16.785 101 H GLU 13 H GLU 13 12.824 1.445 21.000 102 HA GLU 13 HA GLU 13 11.451 1.796 23.426 103 HB2 GLU 13 HB2 GLU 13 12.823 3.786 21.616 104 HB3 GLU 13 HB3 GLU 13 12.188 4.197 23.203 105 HG2 GLU 13 HG2 GLU 13 13.675 2.467 24.182 106 HG3 GLU 13 HG3 GLU 13 14.380 2.234 22.583 107 H ALA 14 H ALA 14 10.393 2.140 20.227 108 HA ALA 14 HA ALA 14 8.419 4.177 20.700 109 HB1 ALA 14 HB1 ALA 14 8.295 4.243 18.482 110 HB2 ALA 14 HB2 ALA 14 9.576 3.031 18.446 111 HB3 ALA 14 HB3 ALA 14 7.886 2.530 18.389 112 H LEU 15 H LEU 15 8.470 0.653 20.536 113 HA LEU 15 HA LEU 15 5.681 0.251 20.638 114 HB2 LEU 15 HB2 LEU 15 6.145 -1.999 20.950 115 HB3 LEU 15 HB3 LEU 15 7.550 -1.408 20.065 116 HG LEU 15 HG LEU 15 8.485 -1.158 22.560 117 HD11 LEU 15 HD11 LEU 15 6.117 -2.811 22.799 118 HD12 LEU 15 HD12 LEU 15 7.127 -2.093 24.053 119 HD13 LEU 15 HD13 LEU 15 7.571 -3.646 23.345 120 HD21 LEU 15 HD21 LEU 15 8.820 -3.900 21.854 121 HD22 LEU 15 HD22 LEU 15 9.957 -2.563 21.679 122 HD23 LEU 15 HD23 LEU 15 8.817 -2.927 20.383 123 H LEU 16 H LEU 16 8.131 0.611 23.147 124 HA LEU 16 HA LEU 16 6.392 -0.015 25.317 125 HB2 LEU 16 HB2 LEU 16 8.159 0.714 26.740 126 HB3 LEU 16 HB3 LEU 16 8.868 -0.180 25.396 127 HG LEU 16 HG LEU 16 9.307 2.125 24.352 128 HD11 LEU 16 HD11 LEU 16 8.023 2.898 26.787 129 HD12 LEU 16 HD12 LEU 16 8.583 3.906 25.453 130 HD13 LEU 16 HD13 LEU 16 9.679 3.504 26.774 131 HD21 LEU 16 HD21 LEU 16 11.391 2.372 25.641 132 HD22 LEU 16 HD22 LEU 16 11.075 0.697 25.187 133 HD23 LEU 16 HD23 LEU 16 10.767 1.237 26.838 134 H TRP 17 H TRP 17 7.124 2.866 23.517 135 HA TRP 17 HA TRP 17 6.066 4.709 25.432 136 HB2 TRP 17 HB2 TRP 17 7.632 4.985 23.229 137 HB3 TRP 17 HB3 TRP 17 6.076 5.506 22.589 138 HD1 TRP 17 HD1 TRP 17 8.223 6.302 25.736 139 HE1 TRP 17 HE1 TRP 17 8.037 8.828 26.193 140 HE3 TRP 17 HE3 TRP 17 5.001 7.571 21.975 141 HZ2 TRP 17 HZ2 TRP 17 6.701 11.063 25.103 142 HZ3 TRP 17 HZ3 TRP 17 4.318 9.924 21.752 143 HH2 TRP 17 HH2 TRP 17 5.151 11.632 23.285 144 H ALA 18 H ALA 18 4.767 2.855 22.771 145 HA ALA 18 HA ALA 18 2.291 4.280 22.603 146 HB1 ALA 18 HB1 ALA 18 1.873 1.731 21.558 147 HB2 ALA 18 HB2 ALA 18 2.308 3.190 20.667 148 HB3 ALA 18 HB3 ALA 18 3.568 2.091 21.227 149 H LEU 19 H LEU 19 3.144 1.050 23.859 150 HA LEU 19 HA LEU 19 0.682 0.345 24.893 151 HB2 LEU 19 HB2 LEU 19 1.950 -1.087 26.477 152 HB3 LEU 19 HB3 LEU 19 2.444 -1.254 24.793 153 HG LEU 19 HG LEU 19 4.324 0.408 25.426 154 HD11 LEU 19 HD11 LEU 19 3.061 -0.115 28.008 155 HD12 LEU 19 HD12 LEU 19 4.144 1.185 27.514 156 HD13 LEU 19 HD13 LEU 19 4.805 -0.377 27.996 157 HD21 LEU 19 HD21 LEU 19 4.955 -1.753 24.821 158 HD22 LEU 19 HD22 LEU 19 4.153 -2.481 26.213 159 HD23 LEU 19 HD23 LEU 19 5.637 -1.554 26.435 160 H SER 20 H SER 20 3.027 2.594 26.129 161 HA SER 20 HA SER 20 1.731 2.785 28.720 162 HB2 SER 20 HB2 SER 20 3.783 3.441 29.334 163 HB3 SER 20 HB3 SER 20 4.302 3.467 27.649 164 HG SER 20 HG SER 20 3.094 5.566 29.123 165 H ASP 21 H ASP 21 1.499 4.230 25.640 166 HA ASP 21 HA ASP 21 0.589 6.808 26.398 167 HB2 ASP 21 HB2 ASP 21 1.229 5.553 24.012 168 HB3 ASP 21 HB3 ASP 21 -0.508 5.819 23.882 169 H LEU 22 H LEU 22 -1.011 3.727 25.854 170 HA LEU 22 HA LEU 22 -3.659 4.839 26.068 171 HB2 LEU 22 HB2 LEU 22 -4.124 2.245 26.361 172 HB3 LEU 22 HB3 LEU 22 -3.802 2.977 24.791 173 HG LEU 22 HG LEU 22 -1.437 1.977 26.240 174 HD11 LEU 22 HD11 LEU 22 -3.237 0.282 26.709 175 HD12 LEU 22 HD12 LEU 22 -1.831 -0.322 25.834 176 HD13 LEU 22 HD13 LEU 22 -3.330 0.015 24.968 177 HD21 LEU 22 HD21 LEU 22 -2.417 1.628 23.409 178 HD22 LEU 22 HD22 LEU 22 -0.804 1.259 24.019 179 HD23 LEU 22 HD23 LEU 22 -1.367 2.931 23.968 180 H GLU 23 H GLU 23 -5.198 4.168 27.728 181 HA GLU 23 HA GLU 23 -4.168 4.597 30.337 182 HB2 GLU 23 HB2 GLU 23 -6.893 3.810 29.317 183 HB3 GLU 23 HB3 GLU 23 -6.555 4.028 31.028 184 HG2 GLU 23 HG2 GLU 23 -6.491 6.269 30.870 185 HG3 GLU 23 HG3 GLU 23 -5.732 6.245 29.280 186 H GLU 24 H GLU 24 -4.389 3.177 32.179 187 HA GLU 24 HA GLU 24 -3.286 0.630 31.741 188 HB2 GLU 24 HB2 GLU 24 -3.727 0.258 34.160 189 HB3 GLU 24 HB3 GLU 24 -2.906 1.776 33.826 190 HG2 GLU 24 HG2 GLU 24 -4.470 2.438 35.357 191 HG3 GLU 24 HG3 GLU 24 -5.314 2.764 33.844 192 H ASN 25 H ASN 25 -6.589 1.720 32.157 193 HA ASN 25 HA ASN 25 -7.708 -0.885 32.508 194 HB2 ASN 25 HB2 ASN 25 -9.882 0.284 32.062 195 HB3 ASN 25 HB3 ASN 25 -8.929 1.007 33.355 196 HD21 ASN 25 HD21 ASN 25 -8.220 3.064 33.159 197 HD22 ASN 25 HD22 ASN 25 -8.583 4.087 31.815 198 H ASP 26 H ASP 26 -6.182 0.360 29.935 199 HA ASP 26 HA ASP 26 -7.950 -0.955 27.980 200 HB2 ASP 26 HB2 ASP 26 -5.897 1.232 27.617 201 HB3 ASP 26 HB3 ASP 26 -6.664 0.388 26.275 202 H PHE 27 H PHE 27 -4.488 -0.356 28.598 203 HA PHE 27 HA PHE 27 -3.528 -2.364 26.893 204 HB2 PHE 27 HB2 PHE 27 -1.589 -1.407 27.458 205 HB3 PHE 27 HB3 PHE 27 -2.426 -0.465 28.688 206 HD1 PHE 27 HD2 PHE 27 -0.381 -3.420 28.032 207 HD2 PHE 27 HD1 PHE 27 -2.385 -1.131 31.008 208 HE1 PHE 27 HE2 PHE 27 0.859 -4.621 29.785 209 HE2 PHE 27 HE1 PHE 27 -1.147 -2.327 32.767 210 HZ PHE 27 HZ PHE 27 0.476 -4.076 32.156 211 H LYS 28 H LYS 28 -4.453 -2.428 30.291 212 HA LYS 28 HA LYS 28 -3.498 -5.024 30.867 213 HB2 LYS 28 HB2 LYS 28 -4.020 -3.496 32.660 214 HB3 LYS 28 HB3 LYS 28 -5.695 -3.384 32.137 215 HG2 LYS 28 HG2 LYS 28 -5.923 -5.826 32.632 216 HG3 LYS 28 HG3 LYS 28 -4.312 -5.763 33.351 217 HD2 LYS 28 HD2 LYS 28 -5.396 -5.274 35.253 218 HD3 LYS 28 HD3 LYS 28 -5.557 -3.656 34.566 219 HE2 LYS 28 HE2 LYS 28 -7.767 -3.867 34.457 220 HE3 LYS 28 HE3 LYS 28 -7.621 -5.368 33.544 221 HZ1 LYS 28 HZ1 LYS 28 -8.037 -6.589 35.350 222 HZ2 LYS 28 HZ2 LYS 28 -8.642 -5.164 36.029 223 HZ3 LYS 28 HZ3 LYS 28 -7.054 -5.648 36.355 224 H LYS 29 H LYS 29 -6.628 -3.823 29.736 225 HA LYS 29 HA LYS 29 -8.115 -6.157 29.897 226 HB2 LYS 29 HB2 LYS 29 -8.334 -3.608 28.576 227 HB3 LYS 29 HB3 LYS 29 -8.887 -4.886 27.501 228 HG2 LYS 29 HG2 LYS 29 -10.731 -3.982 28.786 229 HG3 LYS 29 HG3 LYS 29 -10.436 -5.667 29.221 230 HD2 LYS 29 HD2 LYS 29 -9.570 -5.115 31.295 231 HD3 LYS 29 HD3 LYS 29 -9.145 -3.477 30.795 232 HE2 LYS 29 HE2 LYS 29 -10.981 -3.011 32.061 233 HE3 LYS 29 HE3 LYS 29 -11.770 -3.281 30.508 234 HZ1 LYS 29 HZ1 LYS 29 -11.754 -4.963 32.903 235 HZ2 LYS 29 HZ2 LYS 29 -11.830 -5.733 31.399 236 HZ3 LYS 29 HZ3 LYS 29 -13.021 -4.615 31.838 237 H LEU 30 H LEU 30 -5.829 -5.118 27.425 238 HA LEU 30 HA LEU 30 -6.388 -7.290 25.649 239 HB2 LEU 30 HB2 LEU 30 -3.749 -6.075 25.407 240 HB3 LEU 30 HB3 LEU 30 -5.044 -6.220 24.220 241 HG LEU 30 HG LEU 30 -4.938 -4.111 26.374 242 HD11 LEU 30 HD11 LEU 30 -4.105 -2.592 24.793 243 HD12 LEU 30 HD12 LEU 30 -4.386 -3.701 23.452 244 HD13 LEU 30 HD13 LEU 30 -3.101 -4.031 24.614 245 HD21 LEU 30 HD21 LEU 30 -6.561 -3.096 24.557 246 HD22 LEU 30 HD22 LEU 30 -7.150 -4.187 25.812 247 HD23 LEU 30 HD23 LEU 30 -6.832 -4.800 24.188 248 H LYS 31 H LYS 31 -3.631 -6.532 27.779 249 HA LYS 31 HA LYS 31 -2.215 -8.902 27.382 250 HB2 LYS 31 HB2 LYS 31 -2.335 -7.167 29.856 251 HB3 LYS 31 HB3 LYS 31 -1.110 -8.387 29.534 252 HG2 LYS 31 HG2 LYS 31 -1.591 -5.845 27.998 253 HG3 LYS 31 HG3 LYS 31 -0.206 -6.236 29.020 254 HD2 LYS 31 HD2 LYS 31 -0.175 -8.317 27.277 255 HD3 LYS 31 HD3 LYS 31 -0.800 -7.025 26.250 256 HE2 LYS 31 HE2 LYS 31 1.597 -6.543 27.971 257 HE3 LYS 31 HE3 LYS 31 1.770 -7.409 26.446 258 HZ1 LYS 31 HZ1 LYS 31 0.717 -5.508 25.332 259 HZ2 LYS 31 HZ2 LYS 31 2.160 -5.079 26.104 260 HZ3 LYS 31 HZ3 LYS 31 0.673 -4.673 26.803 261 H PHE 32 H PHE 32 -5.027 -8.240 29.301 262 HA PHE 32 HA PHE 32 -4.864 -10.452 31.056 263 HB2 PHE 32 HB2 PHE 32 -6.336 -8.615 31.581 264 HB3 PHE 32 HB3 PHE 32 -7.235 -8.848 30.086 265 HD1 PHE 32 HD1 PHE 32 -6.178 -10.961 32.980 266 HD2 PHE 32 HD2 PHE 32 -9.308 -9.771 30.352 267 HE1 PHE 32 HE1 PHE 32 -7.732 -12.464 34.155 268 HE2 PHE 32 HE2 PHE 32 -10.867 -11.271 31.523 269 HZ PHE 32 HZ PHE 32 -10.080 -12.620 33.428 270 H TYR 33 H TYR 33 -6.611 -9.980 27.995 271 HA TYR 33 HA TYR 33 -7.224 -12.838 27.913 272 HB2 TYR 33 HB2 TYR 33 -8.581 -10.502 27.048 273 HB3 TYR 33 HB3 TYR 33 -8.188 -11.435 25.609 274 HD1 TYR 33 HD2 TYR 33 -9.211 -12.430 29.065 275 HD2 TYR 33 HD1 TYR 33 -10.066 -12.573 24.899 276 HE1 TYR 33 HE2 TYR 33 -11.118 -13.916 29.513 277 HE2 TYR 33 HE1 TYR 33 -11.976 -14.059 25.336 278 HH TYR 33 HH TYR 33 -13.454 -14.685 27.109 279 H LEU 34 H LEU 34 -5.870 -10.346 25.751 280 HA LEU 34 HA LEU 34 -5.005 -11.979 23.702 281 HB2 LEU 34 HB2 LEU 34 -4.702 -9.305 24.433 282 HB3 LEU 34 HB3 LEU 34 -3.059 -9.919 24.260 283 HG LEU 34 HG LEU 34 -3.644 -8.976 22.177 284 HD11 LEU 34 HD11 LEU 34 -2.810 -11.513 22.376 285 HD12 LEU 34 HD12 LEU 34 -3.048 -10.692 20.834 286 HD13 LEU 34 HD13 LEU 34 -4.298 -11.765 21.463 287 HD21 LEU 34 HD21 LEU 34 -6.231 -9.435 22.878 288 HD22 LEU 34 HD22 LEU 34 -5.992 -10.640 21.611 289 HD23 LEU 34 HD23 LEU 34 -5.697 -8.933 21.273 290 H ARG 35 H ARG 35 -3.014 -10.840 26.438 291 HA ARG 35 HA ARG 35 -0.801 -12.476 25.855 292 HB2 ARG 35 HB2 ARG 35 -1.303 -10.450 27.623 293 HB3 ARG 35 HB3 ARG 35 -1.220 -11.841 28.696 294 HG2 ARG 35 HG2 ARG 35 0.992 -12.381 27.884 295 HG3 ARG 35 HG3 ARG 35 0.908 -11.064 26.712 296 HD2 ARG 35 HD2 ARG 35 2.193 -10.644 28.884 297 HD3 ARG 35 HD3 ARG 35 1.027 -9.424 28.373 298 HE ARG 35 HE ARG 35 -0.112 -9.814 30.303 299 HH11 ARG 35 HH11 ARG 35 1.797 -12.631 29.568 300 HH12 ARG 35 HH12 ARG 35 1.365 -13.464 31.025 301 HH21 ARG 35 HH21 ARG 35 -0.688 -10.900 32.224 302 HH22 ARG 35 HH22 ARG 35 -0.049 -12.478 32.535 303 H ASP 36 H ASP 36 -3.638 -12.973 27.889 304 HA ASP 36 HA ASP 36 -2.938 -15.225 29.294 305 HB2 ASP 36 HB2 ASP 36 -5.034 -14.531 29.890 306 HB3 ASP 36 HB3 ASP 36 -5.498 -14.156 28.232 307 H MET 37 H MET 37 -4.255 -15.088 25.995 308 HA MET 37 HA MET 37 -3.855 -17.948 25.665 309 HB2 MET 37 HB2 MET 37 -5.329 -15.827 24.253 310 HB3 MET 37 HB3 MET 37 -4.601 -17.036 23.203 311 HG2 MET 37 HG2 MET 37 -5.843 -18.775 24.153 312 HG3 MET 37 HG3 MET 37 -6.284 -17.807 25.557 313 HE1 MET 37 HE1 MET 37 -8.658 -18.580 25.388 314 HE2 MET 37 HE2 MET 37 -9.795 -18.199 24.095 315 HE3 MET 37 HE3 MET 37 -8.587 -19.464 23.863 316 H THR 38 H THR 38 -3.004 -15.159 23.612 317 HA THR 38 HA THR 38 -1.100 -16.313 22.044 318 HB THR 38 HB THR 38 -0.129 -14.133 21.678 319 HG1 THR 38 HG1 THR 38 -1.352 -13.536 24.163 320 HG21 THR 38 HG21 THR 38 -2.017 -13.001 20.903 321 HG22 THR 38 HG22 THR 38 -3.014 -13.543 22.252 322 HG23 THR 38 HG23 THR 38 -2.557 -14.677 20.981 323 H LEU 39 H LEU 39 -0.565 -14.853 25.239 324 HA LEU 39 HA LEU 39 2.118 -16.057 25.272 325 HB2 LEU 39 HB2 LEU 39 0.925 -13.668 26.611 326 HB3 LEU 39 HB3 LEU 39 2.313 -14.475 27.338 327 HG LEU 39 HG LEU 39 3.251 -14.132 24.845 328 HD11 LEU 39 HD11 LEU 39 0.889 -12.642 24.812 329 HD12 LEU 39 HD12 LEU 39 2.199 -12.600 23.634 330 HD13 LEU 39 HD13 LEU 39 2.190 -11.463 24.981 331 HD21 LEU 39 HD21 LEU 39 3.400 -12.601 27.359 332 HD22 LEU 39 HD22 LEU 39 3.988 -11.774 25.917 333 HD23 LEU 39 HD23 LEU 39 4.683 -13.325 26.389 334 H SER 40 H SER 40 2.767 -16.389 27.766 335 HA SER 40 HA SER 40 0.673 -18.133 28.886 336 HB2 SER 40 HB2 SER 40 3.162 -18.887 28.068 337 HB3 SER 40 HB3 SER 40 3.452 -18.565 29.777 338 HG SER 40 HG SER 40 1.285 -19.899 29.837 339 H GLU 41 H GLU 41 1.755 -18.617 31.363 340 HA GLU 41 HA GLU 41 1.150 -16.133 32.714 341 HB2 GLU 41 HB2 GLU 41 1.116 -17.447 34.741 342 HB3 GLU 41 HB3 GLU 41 0.223 -18.298 33.490 343 HG2 GLU 41 HG2 GLU 41 1.921 -19.885 33.198 344 HG3 GLU 41 HG3 GLU 41 3.100 -18.906 34.069 345 H GLY 42 H GLY 42 2.635 -16.310 35.025 346 HA2 GLY 42 HA2 GLY 42 4.943 -16.434 35.755 347 HA3 GLY 42 HA3 GLY 42 5.428 -16.107 34.098 348 H GLN 43 H GLN 43 2.796 -14.314 35.442 349 HA GLN 43 HA GLN 43 4.571 -12.026 35.947 350 HB2 GLN 43 HB2 GLN 43 1.933 -11.403 34.775 351 HB3 GLN 43 HB3 GLN 43 3.496 -10.643 34.503 352 HG2 GLN 43 HG2 GLN 43 3.116 -13.379 33.441 353 HG3 GLN 43 HG3 GLN 43 2.245 -12.068 32.645 354 HE21 GLN 43 HE21 GLN 43 5.459 -12.234 34.130 355 HE22 GLN 43 HE22 GLN 43 6.325 -11.734 32.721 356 HA PRO 44 HA PRO 44 2.264 -11.241 39.592 357 HB2 PRO 44 HB2 PRO 44 2.005 -8.539 39.603 358 HB3 PRO 44 HB3 PRO 44 3.542 -9.358 39.908 359 HG2 PRO 44 HG2 PRO 44 2.536 -8.094 37.387 360 HG3 PRO 44 HG3 PRO 44 4.151 -8.008 38.115 361 HD2 PRO 44 HD2 PRO 44 3.572 -9.656 36.046 362 HD3 PRO 44 HD3 PRO 44 4.771 -10.068 37.289 363 HA PRO 45 HA PRO 45 -2.063 -10.782 38.961 364 HB2 PRO 45 HB2 PRO 45 -2.880 -9.379 41.138 365 HB3 PRO 45 HB3 PRO 45 -2.355 -11.065 41.223 366 HG2 PRO 45 HG2 PRO 45 -0.828 -8.571 41.864 367 HG3 PRO 45 HG3 PRO 45 -0.888 -10.106 42.751 368 HD2 PRO 45 HD2 PRO 45 1.163 -9.450 41.109 369 HD3 PRO 45 HD3 PRO 45 0.621 -11.125 41.338 370 H LEU 46 H LEU 46 -3.716 -9.386 38.275 371 HA LEU 46 HA LEU 46 -3.006 -7.157 36.821 372 HB2 LEU 46 HB2 LEU 46 -5.697 -7.641 38.088 373 HB3 LEU 46 HB3 LEU 46 -5.363 -6.632 36.683 374 HG LEU 46 HG LEU 46 -4.653 -9.516 36.528 375 HD11 LEU 46 HD11 LEU 46 -7.321 -8.548 37.100 376 HD12 LEU 46 HD12 LEU 46 -6.709 -10.200 37.026 377 HD13 LEU 46 HD13 LEU 46 -7.240 -9.390 35.552 378 HD21 LEU 46 HD21 LEU 46 -4.087 -8.190 34.648 379 HD22 LEU 46 HD22 LEU 46 -5.669 -7.409 34.633 380 HD23 LEU 46 HD23 LEU 46 -5.521 -9.112 34.196 381 H ALA 47 H ALA 47 -2.865 -4.996 37.178 382 HA ALA 47 HA ALA 47 -3.802 -3.797 39.625 383 HB1 ALA 47 HB1 ALA 47 -1.333 -4.916 39.805 384 HB2 ALA 47 HB2 ALA 47 -0.934 -3.269 39.315 385 HB3 ALA 47 HB3 ALA 47 -1.889 -3.549 40.771 386 H ARG 48 H ARG 48 -4.176 -1.652 39.382 387 HA ARG 48 HA ARG 48 -4.061 -0.534 36.778 388 HB2 ARG 48 HB2 ARG 48 -5.009 1.456 37.777 389 HB3 ARG 48 HB3 ARG 48 -5.799 0.036 38.449 390 HG2 ARG 48 HG2 ARG 48 -4.513 0.222 40.477 391 HG3 ARG 48 HG3 ARG 48 -3.579 1.557 39.798 392 HD2 ARG 48 HD2 ARG 48 -5.153 2.636 41.122 393 HD3 ARG 48 HD3 ARG 48 -5.867 2.713 39.512 394 HE ARG 48 HE ARG 48 -7.604 1.468 40.296 395 HH11 ARG 48 HH11 ARG 48 -4.857 0.960 42.373 396 HH12 ARG 48 HH12 ARG 48 -5.727 -0.024 43.502 397 HH21 ARG 48 HH21 ARG 48 -8.761 0.173 41.775 398 HH22 ARG 48 HH22 ARG 48 -7.948 -0.472 43.160 399 H GLY 49 H GLY 49 -2.003 -0.324 39.597 400 HA2 GLY 49 HA2 GLY 49 -0.493 1.931 38.656 401 HA3 GLY 49 HA3 GLY 49 -0.077 0.887 40.007 402 H GLU 50 H GLU 50 -0.624 -1.206 37.594 403 HA GLU 50 HA GLU 50 2.096 -1.857 37.243 404 HB2 GLU 50 HB2 GLU 50 -0.174 -3.225 36.885 405 HB3 GLU 50 HB3 GLU 50 0.116 -2.758 35.215 406 HG2 GLU 50 HG2 GLU 50 2.479 -3.693 35.579 407 HG3 GLU 50 HG3 GLU 50 1.792 -4.472 37.004 408 H LEU 51 H LEU 51 -0.147 0.070 35.360 409 HA LEU 51 HA LEU 51 1.931 0.526 33.335 410 HB2 LEU 51 HB2 LEU 51 -0.331 -0.231 32.606 411 HB3 LEU 51 HB3 LEU 51 -0.984 1.282 33.231 412 HG LEU 51 HG LEU 51 0.561 2.459 31.598 413 HD11 LEU 51 HD11 LEU 51 1.295 -0.287 31.095 414 HD12 LEU 51 HD12 LEU 51 2.068 1.203 30.557 415 HD13 LEU 51 HD13 LEU 51 0.741 0.513 29.624 416 HD21 LEU 51 HD21 LEU 51 -1.817 2.320 31.213 417 HD22 LEU 51 HD22 LEU 51 -1.651 0.689 30.562 418 HD23 LEU 51 HD23 LEU 51 -0.961 2.061 29.693 419 H GLU 52 H GLU 52 -0.396 2.261 35.383 420 HA GLU 52 HA GLU 52 0.636 4.842 34.733 421 HB2 GLU 52 HB2 GLU 52 -1.679 4.505 35.499 422 HB3 GLU 52 HB3 GLU 52 -1.082 3.976 37.066 423 HG2 GLU 52 HG2 GLU 52 -1.784 6.225 37.294 424 HG3 GLU 52 HG3 GLU 52 -0.022 6.219 37.333 425 H GLY 53 H GLY 53 0.845 2.822 37.667 426 HA2 GLY 53 HA2 GLY 53 2.618 4.520 39.054 427 HA3 GLY 53 HA3 GLY 53 2.359 2.815 39.392 428 H LEU 54 H LEU 54 3.334 1.431 37.416 429 HA LEU 54 HA LEU 54 6.158 1.851 37.600 430 HB2 LEU 54 HB2 LEU 54 4.790 -0.105 35.779 431 HB3 LEU 54 HB3 LEU 54 6.395 -0.218 36.497 432 HG LEU 54 HG LEU 54 3.772 -0.482 37.966 433 HD11 LEU 54 HD11 LEU 54 3.876 -2.677 37.625 434 HD12 LEU 54 HD12 LEU 54 5.592 -2.734 38.025 435 HD13 LEU 54 HD13 LEU 54 5.083 -2.337 36.384 436 HD21 LEU 54 HD21 LEU 54 6.540 -0.091 38.857 437 HD22 LEU 54 HD22 LEU 54 5.702 -1.444 39.618 438 HD23 LEU 54 HD23 LEU 54 5.020 0.181 39.710 439 H ILE 55 H ILE 55 7.175 1.098 35.185 440 HA ILE 55 HA ILE 55 6.323 3.262 33.374 441 HB ILE 55 HB ILE 55 8.679 3.453 32.644 442 HG12 ILE 55 HG12 ILE 55 9.158 1.057 33.603 443 HG13 ILE 55 HG13 ILE 55 10.428 2.276 33.603 444 HG21 ILE 55 HG21 ILE 55 7.954 5.080 34.189 445 HG22 ILE 55 HG22 ILE 55 8.023 3.944 35.535 446 HG23 ILE 55 HG23 ILE 55 9.514 4.516 34.787 447 HD11 ILE 55 HD11 ILE 55 9.846 0.801 35.730 448 HD12 ILE 55 HD12 ILE 55 10.435 2.460 35.856 449 HD13 ILE 55 HD13 ILE 55 8.711 2.122 36.003 450 HA PRO 56 HA PRO 56 5.998 0.355 30.103 451 HB2 PRO 56 HB2 PRO 56 6.942 1.764 27.984 452 HB3 PRO 56 HB3 PRO 56 5.383 2.102 28.743 453 HG2 PRO 56 HG2 PRO 56 8.010 3.488 29.115 454 HG3 PRO 56 HG3 PRO 56 6.390 4.188 28.941 455 HD2 PRO 56 HD2 PRO 56 7.609 3.913 31.344 456 HD3 PRO 56 HD3 PRO 56 5.848 3.798 31.148 457 H VAL 57 H VAL 57 9.130 2.025 30.237 458 HA VAL 57 HA VAL 57 10.571 0.185 28.670 459 HB VAL 57 HB VAL 57 11.564 2.000 30.872 460 HG11 VAL 57 HG11 VAL 57 13.752 1.769 29.627 461 HG12 VAL 57 HG12 VAL 57 13.232 0.354 30.545 462 HG13 VAL 57 HG13 VAL 57 13.030 0.394 28.793 463 HG21 VAL 57 HG21 VAL 57 11.884 2.501 27.943 464 HG22 VAL 57 HG22 VAL 57 10.371 2.918 28.747 465 HG23 VAL 57 HG23 VAL 57 11.884 3.648 29.283 466 H ASP 58 H ASP 58 9.387 0.000 31.880 467 HA ASP 58 HA ASP 58 11.252 -2.110 32.641 468 HB2 ASP 58 HB2 ASP 58 10.587 -0.340 34.276 469 HB3 ASP 58 HB3 ASP 58 8.941 -0.964 34.220 470 H LEU 59 H LEU 59 7.706 -1.708 32.575 471 HA LEU 59 HA LEU 59 7.077 -4.411 32.892 472 HB2 LEU 59 HB2 LEU 59 5.034 -3.566 32.971 473 HB3 LEU 59 HB3 LEU 59 5.689 -2.002 32.490 474 HG LEU 59 HG LEU 59 4.896 -4.058 30.452 475 HD11 LEU 59 HD11 LEU 59 3.128 -1.995 31.756 476 HD12 LEU 59 HD12 LEU 59 2.941 -3.747 31.829 477 HD13 LEU 59 HD13 LEU 59 2.724 -2.900 30.297 478 HD21 LEU 59 HD21 LEU 59 5.416 -2.478 28.976 479 HD22 LEU 59 HD22 LEU 59 6.147 -1.580 30.306 480 HD23 LEU 59 HD23 LEU 59 4.474 -1.265 29.843 481 H ALA 60 H ALA 60 7.795 -2.531 30.009 482 HA ALA 60 HA ALA 60 6.984 -4.413 28.085 483 HB1 ALA 60 HB1 ALA 60 8.396 -3.173 26.530 484 HB2 ALA 60 HB2 ALA 60 7.452 -2.079 27.541 485 HB3 ALA 60 HB3 ALA 60 9.163 -2.338 27.881 486 H GLU 61 H GLU 61 10.131 -3.867 29.639 487 HA GLU 61 HA GLU 61 11.608 -5.763 28.227 488 HB2 GLU 61 HB2 GLU 61 11.895 -4.277 30.734 489 HB3 GLU 61 HB3 GLU 61 12.707 -5.836 30.750 490 HG2 GLU 61 HG2 GLU 61 13.088 -3.873 28.517 491 HG3 GLU 61 HG3 GLU 61 14.050 -3.815 29.993 492 H LEU 62 H LEU 62 9.411 -6.129 30.927 493 HA LEU 62 HA LEU 62 10.141 -8.839 31.500 494 HB2 LEU 62 HB2 LEU 62 9.211 -7.586 33.276 495 HB3 LEU 62 HB3 LEU 62 7.825 -7.099 32.302 496 HG LEU 62 HG LEU 62 8.014 -9.988 32.650 497 HD11 LEU 62 HD11 LEU 62 7.086 -9.675 35.064 498 HD12 LEU 62 HD12 LEU 62 8.032 -8.187 35.029 499 HD13 LEU 62 HD13 LEU 62 8.826 -9.743 34.789 500 HD21 LEU 62 HD21 LEU 62 5.635 -9.550 33.423 501 HD22 LEU 62 HD22 LEU 62 6.027 -9.092 31.766 502 HD23 LEU 62 HD23 LEU 62 5.928 -7.857 33.022 503 H LEU 63 H LEU 63 7.414 -7.291 29.827 504 HA LEU 63 HA LEU 63 6.030 -9.634 29.162 505 HB2 LEU 63 HB2 LEU 63 5.622 -6.955 28.820 506 HB3 LEU 63 HB3 LEU 63 5.911 -7.493 27.166 507 HG LEU 63 HG LEU 63 3.566 -7.505 27.500 508 HD11 LEU 63 HD11 LEU 63 4.655 -9.512 26.398 509 HD12 LEU 63 HD12 LEU 63 3.005 -9.729 26.981 510 HD13 LEU 63 HD13 LEU 63 4.359 -10.374 27.908 511 HD21 LEU 63 HD21 LEU 63 3.596 -9.419 29.754 512 HD22 LEU 63 HD22 LEU 63 2.468 -8.114 29.386 513 HD23 LEU 63 HD23 LEU 63 4.030 -7.750 30.120 514 H ILE 64 H ILE 64 8.347 -7.738 27.231 515 HA ILE 64 HA ILE 64 8.364 -9.371 24.970 516 HB ILE 64 HB ILE 64 10.587 -8.411 24.478 517 HG12 ILE 64 HG12 ILE 64 10.881 -6.460 26.457 518 HG13 ILE 64 HG13 ILE 64 10.540 -7.943 27.342 519 HG21 ILE 64 HG21 ILE 64 8.673 -6.332 25.522 520 HG22 ILE 64 HG22 ILE 64 9.856 -6.143 24.229 521 HG23 ILE 64 HG23 ILE 64 8.464 -7.201 24.002 522 HD11 ILE 64 HD11 ILE 64 12.555 -8.782 26.913 523 HD12 ILE 64 HD12 ILE 64 12.501 -8.293 25.220 524 HD13 ILE 64 HD13 ILE 64 12.994 -7.137 26.457 525 H SER 65 H SER 65 9.999 -9.706 28.039 526 HA SER 65 HA SER 65 11.747 -11.809 27.128 527 HB2 SER 65 HB2 SER 65 12.647 -10.516 28.886 528 HB3 SER 65 HB3 SER 65 11.156 -10.599 29.824 529 HG SER 65 HG SER 65 11.879 -12.355 30.699 530 H LYS 66 H LYS 66 8.588 -11.549 28.522 531 HA LYS 66 HA LYS 66 8.216 -13.985 29.745 532 HB2 LYS 66 HB2 LYS 66 6.452 -12.407 29.842 533 HB3 LYS 66 HB3 LYS 66 6.345 -12.302 28.089 534 HG2 LYS 66 HG2 LYS 66 4.471 -13.540 29.004 535 HG3 LYS 66 HG3 LYS 66 5.481 -14.582 27.999 536 HD2 LYS 66 HD2 LYS 66 6.535 -14.793 30.580 537 HD3 LYS 66 HD3 LYS 66 4.783 -14.836 30.786 538 HE2 LYS 66 HE2 LYS 66 4.671 -16.905 29.973 539 HE3 LYS 66 HE3 LYS 66 5.593 -16.452 28.541 540 HZ1 LYS 66 HZ1 LYS 66 7.620 -16.649 29.997 541 HZ2 LYS 66 HZ2 LYS 66 6.838 -18.102 29.625 542 HZ3 LYS 66 HZ3 LYS 66 6.631 -17.396 31.148 543 H TYR 67 H TYR 67 7.298 -13.325 26.359 544 HA TYR 67 HA TYR 67 7.945 -16.135 25.747 545 HB2 TYR 67 HB2 TYR 67 5.440 -15.032 25.640 546 HB3 TYR 67 HB3 TYR 67 5.991 -14.831 23.981 547 HD1 TYR 67 HD1 TYR 67 7.559 -17.214 23.475 548 HD2 TYR 67 HD2 TYR 67 3.937 -16.793 25.668 549 HE1 TYR 67 HE1 TYR 67 7.008 -19.564 23.005 550 HE2 TYR 67 HE2 TYR 67 3.377 -19.142 25.205 551 HH TYR 67 HH TYR 67 4.269 -20.855 23.050 552 H GLY 68 H GLY 68 7.832 -12.813 24.552 553 HA2 GLY 68 HA2 GLY 68 10.253 -12.890 23.211 554 HA3 GLY 68 HA3 GLY 68 9.037 -13.367 22.035 555 H GLU 69 H GLU 69 10.783 -10.957 22.238 556 HA GLU 69 HA GLU 69 9.188 -8.718 22.913 557 HB2 GLU 69 HB2 GLU 69 10.875 -7.416 21.641 558 HB3 GLU 69 HB3 GLU 69 11.591 -8.509 22.817 559 HG2 GLU 69 HG2 GLU 69 12.535 -9.829 21.233 560 HG3 GLU 69 HG3 GLU 69 11.263 -9.516 20.053 561 H LYS 70 H LYS 70 9.428 -10.701 20.081 562 HA LYS 70 HA LYS 70 8.353 -8.917 18.183 563 HB2 LYS 70 HB2 LYS 70 9.491 -11.237 17.866 564 HB3 LYS 70 HB3 LYS 70 7.866 -11.877 18.078 565 HG2 LYS 70 HG2 LYS 70 8.095 -11.694 15.776 566 HG3 LYS 70 HG3 LYS 70 7.193 -10.243 16.219 567 HD2 LYS 70 HD2 LYS 70 9.664 -9.262 16.419 568 HD3 LYS 70 HD3 LYS 70 9.976 -10.532 15.233 569 HE2 LYS 70 HE2 LYS 70 7.881 -9.554 14.039 570 HE3 LYS 70 HE3 LYS 70 8.209 -8.127 15.021 571 HZ1 LYS 70 HZ1 LYS 70 10.285 -7.833 14.014 572 HZ2 LYS 70 HZ2 LYS 70 9.246 -8.202 12.732 573 HZ3 LYS 70 HZ3 LYS 70 10.293 -9.384 13.338 574 H GLU 71 H GLU 71 6.626 -11.804 19.317 575 HA GLU 71 HA GLU 71 4.084 -10.950 18.690 576 HB2 GLU 71 HB2 GLU 71 3.324 -12.564 20.496 577 HB3 GLU 71 HB3 GLU 71 4.374 -13.228 19.252 578 HG2 GLU 71 HG2 GLU 71 5.883 -12.216 21.503 579 HG3 GLU 71 HG3 GLU 71 4.705 -13.434 21.989 580 H ALA 72 H ALA 72 6.050 -10.116 21.436 581 HA ALA 72 HA ALA 72 4.231 -9.234 23.291 582 HB1 ALA 72 HB1 ALA 72 7.006 -8.582 22.619 583 HB2 ALA 72 HB2 ALA 72 6.144 -7.305 23.479 584 HB3 ALA 72 HB3 ALA 72 6.263 -8.918 24.183 585 H VAL 73 H VAL 73 5.771 -7.086 20.888 586 HA VAL 73 HA VAL 73 4.119 -4.887 21.305 587 HB VAL 73 HB VAL 73 5.614 -5.751 18.832 588 HG11 VAL 73 HG11 VAL 73 5.335 -3.207 18.315 589 HG12 VAL 73 HG12 VAL 73 4.059 -4.345 17.877 590 HG13 VAL 73 HG13 VAL 73 3.901 -3.358 19.330 591 HG21 VAL 73 HG21 VAL 73 6.914 -3.602 19.662 592 HG22 VAL 73 HG22 VAL 73 6.216 -4.073 21.211 593 HG23 VAL 73 HG23 VAL 73 7.249 -5.199 20.331 594 H LYS 74 H LYS 74 3.787 -7.541 18.971 595 HA LYS 74 HA LYS 74 1.518 -6.603 17.638 596 HB2 LYS 74 HB2 LYS 74 2.413 -9.440 18.171 597 HB3 LYS 74 HB3 LYS 74 1.138 -8.999 17.043 598 HG2 LYS 74 HG2 LYS 74 2.874 -7.561 15.875 599 HG3 LYS 74 HG3 LYS 74 4.073 -8.403 16.859 600 HD2 LYS 74 HD2 LYS 74 2.421 -10.400 15.786 601 HD3 LYS 74 HD3 LYS 74 2.738 -9.274 14.463 602 HE2 LYS 74 HE2 LYS 74 4.563 -10.626 14.253 603 HE3 LYS 74 HE3 LYS 74 5.208 -9.444 15.391 604 HZ1 LYS 74 HZ1 LYS 74 5.134 -12.145 15.749 605 HZ2 LYS 74 HZ2 LYS 74 3.853 -11.592 16.704 606 HZ3 LYS 74 HZ3 LYS 74 5.415 -10.991 16.954 607 H VAL 75 H VAL 75 1.867 -8.275 20.690 608 HA VAL 75 HA VAL 75 -0.832 -9.036 21.036 609 HB VAL 75 HB VAL 75 1.493 -9.429 22.457 610 HG11 VAL 75 HG11 VAL 75 1.096 -7.199 23.533 611 HG12 VAL 75 HG12 VAL 75 -0.362 -7.881 24.256 612 HG13 VAL 75 HG13 VAL 75 1.219 -8.553 24.654 613 HG21 VAL 75 HG21 VAL 75 -1.229 -10.317 22.482 614 HG22 VAL 75 HG22 VAL 75 0.230 -11.190 22.949 615 HG23 VAL 75 HG23 VAL 75 -0.628 -10.207 24.136 616 H VAL 76 H VAL 76 0.827 -6.022 21.409 617 HA VAL 76 HA VAL 76 -1.160 -4.802 23.094 618 HB VAL 76 HB VAL 76 1.392 -3.996 21.896 619 HG11 VAL 76 HG11 VAL 76 0.148 -2.367 20.714 620 HG12 VAL 76 HG12 VAL 76 -0.878 -2.033 22.111 621 HG13 VAL 76 HG13 VAL 76 0.817 -1.547 22.124 622 HG21 VAL 76 HG21 VAL 76 1.639 -4.140 24.134 623 HG22 VAL 76 HG22 VAL 76 1.049 -2.479 24.102 624 HG23 VAL 76 HG23 VAL 76 -0.062 -3.803 24.452 625 H LEU 77 H LEU 77 -0.242 -4.518 19.667 626 HA LEU 77 HA LEU 77 -2.345 -2.719 19.015 627 HB2 LEU 77 HB2 LEU 77 -1.775 -3.377 16.650 628 HB3 LEU 77 HB3 LEU 77 -0.461 -2.696 17.607 629 HG LEU 77 HG LEU 77 -0.105 -5.371 18.006 630 HD11 LEU 77 HD11 LEU 77 -0.157 -5.878 15.309 631 HD12 LEU 77 HD12 LEU 77 -1.680 -5.032 15.580 632 HD13 LEU 77 HD13 LEU 77 -1.306 -6.492 16.497 633 HD21 LEU 77 HD21 LEU 77 1.093 -3.267 16.343 634 HD22 LEU 77 HD22 LEU 77 1.487 -4.917 15.860 635 HD23 LEU 77 HD23 LEU 77 1.842 -4.369 17.499 636 H LYS 78 H LYS 78 -1.890 -6.201 18.427 637 HA LYS 78 HA LYS 78 -4.217 -6.787 17.100 638 HB2 LYS 78 HB2 LYS 78 -2.300 -8.350 17.743 639 HB3 LYS 78 HB3 LYS 78 -3.124 -8.556 19.284 640 HG2 LYS 78 HG2 LYS 78 -4.833 -8.960 16.942 641 HG3 LYS 78 HG3 LYS 78 -3.502 -10.110 17.089 642 HD2 LYS 78 HD2 LYS 78 -4.823 -11.232 18.500 643 HD3 LYS 78 HD3 LYS 78 -4.486 -9.945 19.660 644 HE2 LYS 78 HE2 LYS 78 -6.532 -8.995 19.403 645 HE3 LYS 78 HE3 LYS 78 -6.645 -9.441 17.701 646 HZ1 LYS 78 HZ1 LYS 78 -7.530 -11.459 18.190 647 HZ2 LYS 78 HZ2 LYS 78 -8.112 -10.601 19.526 648 HZ3 LYS 78 HZ3 LYS 78 -6.747 -11.588 19.685 649 H GLY 79 H GLY 79 -3.754 -6.450 20.598 650 HA2 GLY 79 HA2 GLY 79 -6.557 -6.998 21.119 651 HA3 GLY 79 HA3 GLY 79 -5.326 -6.614 22.314 652 H LEU 80 H LEU 80 -4.542 -4.232 20.614 653 HA LEU 80 HA LEU 80 -6.226 -2.345 21.942 654 HB2 LEU 80 HB2 LEU 80 -3.835 -2.256 20.209 655 HB3 LEU 80 HB3 LEU 80 -4.855 -0.818 20.209 656 HG LEU 80 HG LEU 80 -3.450 -2.048 22.577 657 HD11 LEU 80 HD11 LEU 80 -2.023 -0.225 22.533 658 HD12 LEU 80 HD12 LEU 80 -3.114 0.736 21.536 659 HD13 LEU 80 HD13 LEU 80 -2.219 -0.605 20.822 660 HD21 LEU 80 HD21 LEU 80 -5.138 -1.192 23.770 661 HD22 LEU 80 HD22 LEU 80 -5.749 -0.250 22.410 662 HD23 LEU 80 HD23 LEU 80 -4.422 0.374 23.390 663 H LYS 81 H LYS 81 -6.063 -3.700 18.732 664 HA LYS 81 HA LYS 81 -7.493 -1.857 17.252 665 HB2 LYS 81 HB2 LYS 81 -7.502 -4.874 17.101 666 HB3 LYS 81 HB3 LYS 81 -8.252 -3.839 15.893 667 HG2 LYS 81 HG2 LYS 81 -5.554 -2.992 16.363 668 HG3 LYS 81 HG3 LYS 81 -5.597 -4.717 15.992 669 HD2 LYS 81 HD2 LYS 81 -6.025 -4.313 13.843 670 HD3 LYS 81 HD3 LYS 81 -7.367 -3.242 14.253 671 HE2 LYS 81 HE2 LYS 81 -4.825 -1.996 14.821 672 HE3 LYS 81 HE3 LYS 81 -4.909 -2.526 13.141 673 HZ1 LYS 81 HZ1 LYS 81 -6.909 -1.276 12.834 674 HZ2 LYS 81 HZ2 LYS 81 -5.744 -0.248 13.502 675 HZ3 LYS 81 HZ3 LYS 81 -6.980 -0.869 14.475 676 H VAL 82 H VAL 82 -8.856 -4.704 18.921 677 HA VAL 82 HA VAL 82 -11.544 -4.067 18.490 678 HB VAL 82 HB VAL 82 -10.314 -6.202 19.553 679 HG11 VAL 82 HG11 VAL 82 -10.752 -6.441 21.886 680 HG12 VAL 82 HG12 VAL 82 -9.877 -4.924 21.664 681 HG13 VAL 82 HG13 VAL 82 -11.620 -4.907 21.939 682 HG21 VAL 82 HG21 VAL 82 -12.778 -6.652 20.520 683 HG22 VAL 82 HG22 VAL 82 -13.111 -5.255 19.497 684 HG23 VAL 82 HG23 VAL 82 -12.388 -6.705 18.800 685 H MET 83 H MET 83 -9.307 -2.395 20.296 686 HA MET 83 HA MET 83 -11.305 -1.371 22.188 687 HB2 MET 83 HB2 MET 83 -9.017 -2.179 22.972 688 HB3 MET 83 HB3 MET 83 -8.354 -0.752 22.187 689 HG2 MET 83 HG2 MET 83 -8.594 0.060 24.287 690 HG3 MET 83 HG3 MET 83 -10.182 0.468 23.642 691 HE1 MET 83 HE1 MET 83 -7.983 -1.617 25.663 692 HE2 MET 83 HE2 MET 83 -8.989 -2.253 26.965 693 HE3 MET 83 HE3 MET 83 -8.817 -3.158 25.460 694 H ASN 84 H ASN 84 -9.867 -0.649 19.237 695 HA ASN 84 HA ASN 84 -10.064 1.147 17.847 696 HB2 ASN 84 HB2 ASN 84 -11.565 2.671 19.957 697 HB3 ASN 84 HB3 ASN 84 -11.739 2.742 18.206 698 HD21 ASN 84 HD21 ASN 84 -12.785 0.997 17.136 699 HD22 ASN 84 HD22 ASN 84 -13.921 0.007 17.981 700 H LEU 85 H LEU 85 -7.758 0.883 19.280 701 HA LEU 85 HA LEU 85 -7.108 3.563 20.276 702 HB2 LEU 85 HB2 LEU 85 -6.163 0.861 20.833 703 HB3 LEU 85 HB3 LEU 85 -4.855 2.020 20.604 704 HG LEU 85 HG LEU 85 -5.192 2.050 22.896 705 HD11 LEU 85 HD11 LEU 85 -5.806 4.217 23.372 706 HD12 LEU 85 HD12 LEU 85 -7.144 4.205 22.224 707 HD13 LEU 85 HD13 LEU 85 -5.484 4.313 21.640 708 HD21 LEU 85 HD21 LEU 85 -7.827 1.178 22.204 709 HD22 LEU 85 HD22 LEU 85 -7.931 2.523 23.340 710 HD23 LEU 85 HD23 LEU 85 -6.995 1.087 23.756 711 H LEU 86 H LEU 86 -7.474 2.928 17.431 712 HA LEU 86 HA LEU 86 -5.137 2.600 16.001 713 HB2 LEU 86 HB2 LEU 86 -7.773 3.754 15.510 714 HB3 LEU 86 HB3 LEU 86 -6.501 4.468 14.520 715 HG LEU 86 HG LEU 86 -6.647 1.506 14.619 716 HD11 LEU 86 HD11 LEU 86 -8.339 2.456 12.520 717 HD12 LEU 86 HD12 LEU 86 -8.957 3.014 14.074 718 HD13 LEU 86 HD13 LEU 86 -8.693 1.292 13.797 719 HD21 LEU 86 HD21 LEU 86 -5.878 1.687 12.375 720 HD22 LEU 86 HD22 LEU 86 -4.947 2.835 13.338 721 HD23 LEU 86 HD23 LEU 86 -6.265 3.407 12.314 722 H GLU 87 H GLU 87 -6.108 5.255 17.950 723 HA GLU 87 HA GLU 87 -4.793 7.405 16.817 724 HB2 GLU 87 HB2 GLU 87 -6.198 7.736 18.729 725 HB3 GLU 87 HB3 GLU 87 -5.196 6.684 19.719 726 HG2 GLU 87 HG2 GLU 87 -3.857 8.353 20.290 727 HG3 GLU 87 HG3 GLU 87 -3.655 8.858 18.613 728 H LEU 88 H LEU 88 -3.399 5.918 19.706 729 HA LEU 88 HA LEU 88 -0.756 6.645 18.969 730 HB2 LEU 88 HB2 LEU 88 -0.096 5.797 21.008 731 HB3 LEU 88 HB3 LEU 88 -1.776 6.237 21.307 732 HG LEU 88 HG LEU 88 -1.327 4.137 22.367 733 HD11 LEU 88 HD11 LEU 88 -3.386 4.571 20.620 734 HD12 LEU 88 HD12 LEU 88 -3.275 3.230 21.759 735 HD13 LEU 88 HD13 LEU 88 -2.759 3.011 20.087 736 HD21 LEU 88 HD21 LEU 88 -0.827 2.560 19.970 737 HD22 LEU 88 HD22 LEU 88 -0.016 2.531 21.537 738 HD23 LEU 88 HD23 LEU 88 0.458 3.716 20.318 739 H VAL 89 H VAL 89 -2.707 3.827 18.446 740 HA VAL 89 HA VAL 89 -0.670 1.941 17.961 741 HB VAL 89 HB VAL 89 -3.531 2.125 17.056 742 HG11 VAL 89 HG11 VAL 89 -1.456 0.100 16.274 743 HG12 VAL 89 HG12 VAL 89 -3.178 -0.284 16.293 744 HG13 VAL 89 HG13 VAL 89 -2.570 0.993 15.239 745 HG21 VAL 89 HG21 VAL 89 -2.249 1.207 19.380 746 HG22 VAL 89 HG22 VAL 89 -3.950 1.035 18.947 747 HG23 VAL 89 HG23 VAL 89 -2.799 -0.231 18.519 748 H ASP 90 H ASP 90 -2.088 4.445 15.985 749 HA ASP 90 HA ASP 90 -1.585 3.759 13.427 750 HB2 ASP 90 HB2 ASP 90 -2.362 6.018 14.367 751 HB3 ASP 90 HB3 ASP 90 -0.653 6.432 14.459 752 H GLN 91 H GLN 91 0.877 5.131 15.609 753 HA GLN 91 HA GLN 91 2.995 4.664 13.728 754 HB2 GLN 91 HB2 GLN 91 2.685 5.959 16.328 755 HB3 GLN 91 HB3 GLN 91 4.205 5.088 16.174 756 HG2 GLN 91 HG2 GLN 91 4.854 6.367 14.294 757 HG3 GLN 91 HG3 GLN 91 3.243 7.065 14.130 758 HE21 GLN 91 HE21 GLN 91 3.460 9.157 14.514 759 HE22 GLN 91 HE22 GLN 91 4.251 9.855 15.883 760 H LEU 92 H LEU 92 2.424 3.404 17.020 761 HA LEU 92 HA LEU 92 4.292 1.503 17.262 762 HB2 LEU 92 HB2 LEU 92 2.674 1.805 18.981 763 HB3 LEU 92 HB3 LEU 92 1.366 1.279 17.924 764 HG LEU 92 HG LEU 92 2.257 -0.308 19.779 765 HD11 LEU 92 HD11 LEU 92 0.908 -0.673 17.400 766 HD12 LEU 92 HD12 LEU 92 1.062 -1.849 18.705 767 HD13 LEU 92 HD13 LEU 92 2.185 -1.888 17.345 768 HD21 LEU 92 HD21 LEU 92 4.204 -1.429 19.458 769 HD22 LEU 92 HD22 LEU 92 4.642 0.076 18.649 770 HD23 LEU 92 HD23 LEU 92 4.112 -1.314 17.701 771 H SER 93 H SER 93 1.166 0.859 15.664 772 HA SER 93 HA SER 93 1.739 -1.714 14.781 773 HB2 SER 93 HB2 SER 93 -0.510 -1.059 14.608 774 HB3 SER 93 HB3 SER 93 -0.106 0.431 13.756 775 HG SER 93 HG SER 93 0.590 -1.981 12.543 776 H HIS 94 H HIS 94 2.367 1.404 13.235 777 HA HIS 94 HA HIS 94 3.403 0.282 10.826 778 HB2 HIS 94 HB2 HIS 94 2.490 2.703 11.363 779 HB3 HIS 94 HB3 HIS 94 4.180 3.019 11.742 780 HD1 HIS 94 HD1 HIS 94 2.695 1.011 8.873 781 HD2 HIS 94 HD2 HIS 94 5.098 4.330 9.559 782 HE1 HIS 94 HE1 HIS 94 3.464 1.766 6.601 783 H ILE 95 H ILE 95 4.580 0.070 13.837 784 HA ILE 95 HA ILE 95 7.393 0.310 12.999 785 HB ILE 95 HB ILE 95 6.161 0.367 15.752 786 HG12 ILE 95 HG12 ILE 95 7.997 2.428 14.579 787 HG13 ILE 95 HG13 ILE 95 6.293 2.425 14.137 788 HG21 ILE 95 HG21 ILE 95 8.755 0.916 16.204 789 HG22 ILE 95 HG22 ILE 95 8.057 -0.695 16.359 790 HG23 ILE 95 HG23 ILE 95 8.911 -0.243 14.884 791 HD11 ILE 95 HD11 ILE 95 5.810 3.522 15.989 792 HD12 ILE 95 HD12 ILE 95 6.481 2.211 16.960 793 HD13 ILE 95 HD13 ILE 95 7.519 3.532 16.425 794 H CYS 96 H CYS 96 4.950 -1.852 14.190 795 HA CYS 96 HA CYS 96 6.931 -4.020 14.359 796 HB2 CYS 96 HB2 CYS 96 5.511 -3.531 16.388 797 HB3 CYS 96 HB3 CYS 96 4.114 -4.043 15.449 798 HG CYS 96 HG CYS 96 4.877 -6.667 15.191 799 H LEU 97 H LEU 97 4.690 -2.719 12.311 800 HA LEU 97 HA LEU 97 3.775 -3.431 10.353 801 HB2 LEU 97 HB2 LEU 97 6.016 -5.031 10.704 802 HB3 LEU 97 HB3 LEU 97 4.717 -6.172 10.364 803 HG LEU 97 HG LEU 97 4.219 -4.796 8.302 804 HD11 LEU 97 HD11 LEU 97 5.215 -2.753 8.496 805 HD12 LEU 97 HD12 LEU 97 6.457 -3.603 7.577 806 HD13 LEU 97 HD13 LEU 97 6.636 -3.397 9.319 807 HD21 LEU 97 HD21 LEU 97 6.591 -5.628 7.308 808 HD22 LEU 97 HD22 LEU 97 5.219 -6.692 7.617 809 HD23 LEU 97 HD23 LEU 97 6.518 -6.561 8.803 810 H HIS 98 H HIS 98 1.641 -3.539 10.765 811 HA HIS 98 HA HIS 98 0.522 -5.698 12.335 812 HB2 HIS 98 HB2 HIS 98 -0.670 -3.781 12.778 813 HB3 HIS 98 HB3 HIS 98 -0.506 -3.170 11.135 814 HD1 HIS 98 HD1 HIS 98 -2.440 -3.538 9.590 815 HD2 HIS 98 HD2 HIS 98 -2.702 -5.841 13.038 816 HE1 HIS 98 HE1 HIS 98 -4.721 -4.596 9.521 817 H ASP 99 H ASP 99 1.013 -4.922 9.005 818 HA ASP 99 HA ASP 99 -0.992 -6.408 7.773 819 HB2 ASP 99 HB2 ASP 99 0.300 -5.010 6.381 820 HB3 ASP 99 HB3 ASP 99 1.816 -5.712 6.939 821 H TYR 100 H TYR 100 1.803 -7.449 9.500 822 HA TYR 100 HA TYR 100 1.716 -10.138 8.396 823 HB2 TYR 100 HB2 TYR 100 3.868 -8.934 8.997 824 HB3 TYR 100 HB3 TYR 100 3.422 -9.156 10.685 825 HD1 TYR 100 HD1 TYR 100 3.046 -11.515 7.828 826 HD2 TYR 100 HD2 TYR 100 4.995 -10.665 11.513 827 HE1 TYR 100 HE1 TYR 100 4.066 -13.753 7.797 828 HE2 TYR 100 HE2 TYR 100 6.022 -12.899 11.492 829 HH TYR 100 HH TYR 100 6.580 -14.648 9.307 830 H ARG 101 H ARG 101 0.389 -8.378 11.004 831 HA ARG 101 HA ARG 101 -0.060 -10.716 12.668 832 HB2 ARG 101 HB2 ARG 101 0.062 -7.926 13.112 833 HB3 ARG 101 HB3 ARG 101 -1.577 -8.427 13.505 834 HG2 ARG 101 HG2 ARG 101 0.520 -10.168 14.581 835 HG3 ARG 101 HG3 ARG 101 0.525 -8.520 15.212 836 HD2 ARG 101 HD2 ARG 101 -0.905 -9.585 16.676 837 HD3 ARG 101 HD3 ARG 101 -2.029 -8.907 15.499 838 HE ARG 101 HE ARG 101 -2.622 -11.032 14.910 839 HH11 ARG 101 HH11 ARG 101 0.422 -11.141 16.597 840 HH12 ARG 101 HH12 ARG 101 0.476 -12.872 16.655 841 HH21 ARG 101 HH21 ARG 101 -2.562 -13.311 14.981 842 HH22 ARG 101 HH22 ARG 101 -1.221 -14.105 15.735 843 H GLU 102 H GLU 102 -1.629 -12.078 12.127 844 HA GLU 102 HA GLU 102 -3.611 -12.920 11.388 845 HB2 GLU 102 HB2 GLU 102 -4.299 -10.420 12.807 846 HB3 GLU 102 HB3 GLU 102 -5.548 -11.063 11.751 847 HG2 GLU 102 HG2 GLU 102 -4.185 -12.822 13.746 848 HG3 GLU 102 HG3 GLU 102 -5.513 -11.767 14.225 Start of MODEL 18 1 H1 GLY 1 H GLY 1 6.543 12.131 16.082 2 HA2 GLY 1 HA2 GLY 1 4.122 12.957 17.009 3 HA3 GLY 1 HA3 GLY 1 4.427 12.634 15.308 4 H ALA 2 H ALA 2 1.934 12.274 15.939 5 HA ALA 2 HA ALA 2 1.612 9.380 16.401 6 HB1 ALA 2 HB1 ALA 2 0.009 9.814 17.872 7 HB2 ALA 2 HB2 ALA 2 0.394 11.530 17.728 8 HB3 ALA 2 HB3 ALA 2 -0.852 10.817 16.704 9 H MET 3 H MET 3 1.573 11.709 14.058 10 HA MET 3 HA MET 3 0.340 9.977 12.151 11 HB2 MET 3 HB2 MET 3 -1.424 11.597 11.447 12 HB3 MET 3 HB3 MET 3 -1.711 10.874 13.024 13 HG2 MET 3 HG2 MET 3 -0.559 12.994 13.944 14 HG3 MET 3 HG3 MET 3 -0.894 13.666 12.350 15 HE1 MET 3 HE1 MET 3 -3.950 12.470 15.554 16 HE2 MET 3 HE2 MET 3 -3.219 11.180 14.598 17 HE3 MET 3 HE3 MET 3 -2.204 12.222 15.597 18 H ALA 4 H ALA 4 2.747 10.549 11.788 19 HA ALA 4 HA ALA 4 2.946 12.987 10.148 20 HB1 ALA 4 HB1 ALA 4 5.243 13.093 10.619 21 HB2 ALA 4 HB2 ALA 4 4.481 12.687 12.157 22 HB3 ALA 4 HB3 ALA 4 5.284 11.433 11.213 23 H MET 5 H MET 5 1.696 10.847 8.977 24 HA MET 5 HA MET 5 1.704 9.585 7.086 25 HB2 MET 5 HB2 MET 5 4.031 11.400 6.685 26 HB3 MET 5 HB3 MET 5 3.867 10.027 5.598 27 HG2 MET 5 HG2 MET 5 1.423 10.884 5.333 28 HG3 MET 5 HG3 MET 5 2.095 12.398 5.934 29 HE1 MET 5 HE1 MET 5 3.982 13.466 5.178 30 HE2 MET 5 HE2 MET 5 5.050 12.939 3.877 31 HE3 MET 5 HE3 MET 5 3.748 14.082 3.542 32 H ALA 6 H ALA 6 5.213 9.613 7.225 33 HA ALA 6 HA ALA 6 5.657 7.328 8.751 34 HB1 ALA 6 HB1 ALA 6 4.957 5.648 7.481 35 HB2 ALA 6 HB2 ALA 6 4.565 6.748 6.159 36 HB3 ALA 6 HB3 ALA 6 6.193 6.084 6.300 37 H LYS 7 H LYS 7 7.617 7.966 9.383 38 HA LYS 7 HA LYS 7 9.598 8.628 7.303 39 HB2 LYS 7 HB2 LYS 7 9.808 9.616 10.130 40 HB3 LYS 7 HB3 LYS 7 10.565 10.258 8.678 41 HG2 LYS 7 HG2 LYS 7 7.622 10.394 9.300 42 HG3 LYS 7 HG3 LYS 7 8.779 11.705 9.537 43 HD2 LYS 7 HD2 LYS 7 8.639 10.450 6.848 44 HD3 LYS 7 HD3 LYS 7 7.307 11.499 7.335 45 HE2 LYS 7 HE2 LYS 7 9.660 12.841 8.064 46 HE3 LYS 7 HE3 LYS 7 9.952 12.195 6.450 47 HZ1 LYS 7 HZ1 LYS 7 8.473 14.445 7.141 48 HZ2 LYS 7 HZ2 LYS 7 7.367 13.305 6.559 49 HZ3 LYS 7 HZ3 LYS 7 8.680 13.776 5.601 50 H ALA 8 H ALA 8 9.663 7.783 10.768 51 HA ALA 8 HA ALA 8 11.693 5.743 10.125 52 HB1 ALA 8 HB1 ALA 8 11.387 7.454 12.585 53 HB2 ALA 8 HB2 ALA 8 12.478 6.072 12.481 54 HB3 ALA 8 HB3 ALA 8 12.713 7.462 11.421 55 H ARG 9 H ARG 9 10.814 3.782 10.185 56 HA ARG 9 HA ARG 9 8.990 3.141 12.407 57 HB2 ARG 9 HB2 ARG 9 8.170 1.371 10.568 58 HB3 ARG 9 HB3 ARG 9 7.451 2.966 10.744 59 HG2 ARG 9 HG2 ARG 9 8.582 3.810 8.879 60 HG3 ARG 9 HG3 ARG 9 9.732 2.471 8.865 61 HD2 ARG 9 HD2 ARG 9 8.227 2.073 7.084 62 HD3 ARG 9 HD3 ARG 9 7.776 0.957 8.372 63 HE ARG 9 HE ARG 9 6.157 3.051 8.834 64 HH11 ARG 9 HH11 ARG 9 6.882 1.238 5.952 65 HH12 ARG 9 HH12 ARG 9 5.319 1.486 5.246 66 HH21 ARG 9 HH21 ARG 9 4.096 3.385 7.916 67 HH22 ARG 9 HH22 ARG 9 3.735 2.708 6.364 68 H LYS 10 H LYS 10 9.683 1.547 13.663 69 HA LYS 10 HA LYS 10 11.573 -0.415 12.539 70 HB2 LYS 10 HB2 LYS 10 11.919 -0.114 15.378 71 HB3 LYS 10 HB3 LYS 10 13.101 0.082 14.090 72 HG2 LYS 10 HG2 LYS 10 11.153 2.239 14.849 73 HG3 LYS 10 HG3 LYS 10 12.743 2.072 15.596 74 HD2 LYS 10 HD2 LYS 10 12.909 1.960 12.709 75 HD3 LYS 10 HD3 LYS 10 12.129 3.447 13.254 76 HE2 LYS 10 HE2 LYS 10 13.995 4.142 14.439 77 HE3 LYS 10 HE3 LYS 10 14.652 2.510 14.559 78 HZ1 LYS 10 HZ1 LYS 10 14.448 3.997 12.002 79 HZ2 LYS 10 HZ2 LYS 10 15.291 2.560 12.293 80 HZ3 LYS 10 HZ3 LYS 10 15.831 4.011 12.976 81 HA PRO 11 HA PRO 11 9.050 -3.641 14.113 82 HB2 PRO 11 HB2 PRO 11 10.865 -5.424 15.059 83 HB3 PRO 11 HB3 PRO 11 10.615 -5.131 13.334 84 HG2 PRO 11 HG2 PRO 11 12.737 -4.053 15.149 85 HG3 PRO 11 HG3 PRO 11 12.889 -4.677 13.496 86 HD2 PRO 11 HD2 PRO 11 12.817 -2.028 14.053 87 HD3 PRO 11 HD3 PRO 11 12.158 -2.706 12.551 88 H ARG 12 H ARG 12 11.737 -3.716 16.439 89 HA ARG 12 HA ARG 12 10.171 -4.293 18.664 90 HB2 ARG 12 HB2 ARG 12 12.826 -2.847 18.570 91 HB3 ARG 12 HB3 ARG 12 12.114 -3.575 20.005 92 HG2 ARG 12 HG2 ARG 12 13.153 -5.461 19.503 93 HG3 ARG 12 HG3 ARG 12 12.151 -5.589 18.056 94 HD2 ARG 12 HD2 ARG 12 14.066 -3.766 17.313 95 HD3 ARG 12 HD3 ARG 12 14.970 -4.883 18.334 96 HE ARG 12 HE ARG 12 13.383 -6.324 16.499 97 HH11 ARG 12 HH11 ARG 12 16.242 -4.344 16.655 98 HH12 ARG 12 HH12 ARG 12 16.996 -5.096 15.288 99 HH21 ARG 12 HH21 ARG 12 14.364 -7.322 14.698 100 HH22 ARG 12 HH22 ARG 12 15.926 -6.789 14.175 101 H GLU 13 H GLU 13 11.298 -1.160 17.445 102 HA GLU 13 HA GLU 13 10.233 0.393 19.550 103 HB2 GLU 13 HB2 GLU 13 11.607 0.853 17.074 104 HB3 GLU 13 HB3 GLU 13 10.237 1.948 17.186 105 HG2 GLU 13 HG2 GLU 13 12.063 1.650 19.521 106 HG3 GLU 13 HG3 GLU 13 12.563 2.628 18.142 107 H ALA 14 H ALA 14 8.754 -1.228 16.951 108 HA ALA 14 HA ALA 14 6.503 0.480 16.583 109 HB1 ALA 14 HB1 ALA 14 5.843 -2.208 15.926 110 HB2 ALA 14 HB2 ALA 14 6.196 -0.860 14.844 111 HB3 ALA 14 HB3 ALA 14 7.503 -1.897 15.417 112 H LEU 15 H LEU 15 6.958 -2.578 18.355 113 HA LEU 15 HA LEU 15 4.358 -2.716 19.411 114 HB2 LEU 15 HB2 LEU 15 5.086 -4.522 20.606 115 HB3 LEU 15 HB3 LEU 15 6.308 -4.457 19.338 116 HG LEU 15 HG LEU 15 7.441 -2.928 21.306 117 HD11 LEU 15 HD11 LEU 15 6.717 -5.232 22.934 118 HD12 LEU 15 HD12 LEU 15 5.360 -4.154 22.609 119 HD13 LEU 15 HD13 LEU 15 6.824 -3.525 23.365 120 HD21 LEU 15 HD21 LEU 15 8.688 -4.520 20.085 121 HD22 LEU 15 HD22 LEU 15 7.688 -5.856 20.657 122 HD23 LEU 15 HD23 LEU 15 8.774 -5.026 21.772 123 H LEU 16 H LEU 16 7.273 -1.113 20.541 124 HA LEU 16 HA LEU 16 6.273 -0.451 23.123 125 HB2 LEU 16 HB2 LEU 16 8.410 1.020 21.601 126 HB3 LEU 16 HB3 LEU 16 8.195 0.930 23.348 127 HG LEU 16 HG LEU 16 8.802 -1.538 21.761 128 HD11 LEU 16 HD11 LEU 16 11.174 -0.535 22.938 129 HD12 LEU 16 HD12 LEU 16 10.492 0.740 21.929 130 HD13 LEU 16 HD13 LEU 16 10.838 -0.844 21.234 131 HD21 LEU 16 HD21 LEU 16 10.015 -1.954 24.022 132 HD22 LEU 16 HD22 LEU 16 8.261 -2.120 23.928 133 HD23 LEU 16 HD23 LEU 16 8.973 -0.658 24.612 134 H TRP 17 H TRP 17 6.421 1.262 20.030 135 HA TRP 17 HA TRP 17 5.272 3.670 21.065 136 HB2 TRP 17 HB2 TRP 17 6.759 3.404 18.983 137 HB3 TRP 17 HB3 TRP 17 5.296 2.868 18.161 138 HD1 TRP 17 HD1 TRP 17 3.271 4.720 17.987 139 HE1 TRP 17 HE1 TRP 17 3.399 7.285 17.821 140 HE3 TRP 17 HE3 TRP 17 8.046 5.406 19.679 141 HZ2 TRP 17 HZ2 TRP 17 5.275 9.329 18.339 142 HZ3 TRP 17 HZ3 TRP 17 8.932 7.698 19.813 143 HH2 TRP 17 HH2 TRP 17 7.574 9.617 19.156 144 H ALA 18 H ALA 18 4.048 0.753 19.574 145 HA ALA 18 HA ALA 18 1.419 1.770 19.077 146 HB1 ALA 18 HB1 ALA 18 0.877 -0.364 18.317 147 HB2 ALA 18 HB2 ALA 18 2.595 -0.214 17.943 148 HB3 ALA 18 HB3 ALA 18 2.076 -1.142 19.351 149 H LEU 19 H LEU 19 2.544 -0.749 21.346 150 HA LEU 19 HA LEU 19 0.239 -0.953 22.853 151 HB2 LEU 19 HB2 LEU 19 1.514 -2.057 24.484 152 HB3 LEU 19 HB3 LEU 19 2.311 -2.395 22.949 153 HG LEU 19 HG LEU 19 3.844 -0.396 23.613 154 HD11 LEU 19 HD11 LEU 19 2.352 -0.973 26.108 155 HD12 LEU 19 HD12 LEU 19 3.030 0.543 25.514 156 HD13 LEU 19 HD13 LEU 19 4.084 -0.670 26.242 157 HD21 LEU 19 HD21 LEU 19 4.459 -2.652 25.379 158 HD22 LEU 19 HD22 LEU 19 5.390 -1.961 24.050 159 HD23 LEU 19 HD23 LEU 19 4.090 -3.105 23.716 160 H SER 20 H SER 20 2.649 1.534 22.867 161 HA SER 20 HA SER 20 1.690 2.670 25.370 162 HB2 SER 20 HB2 SER 20 3.518 4.191 25.225 163 HB3 SER 20 HB3 SER 20 4.144 2.630 24.693 164 HG SER 20 HG SER 20 3.604 3.440 22.500 165 H ASP 21 H ASP 21 1.167 2.976 21.998 166 HA ASP 21 HA ASP 21 0.323 5.675 21.894 167 HB2 ASP 21 HB2 ASP 21 0.893 4.547 19.849 168 HB3 ASP 21 HB3 ASP 21 -0.321 3.303 20.136 169 H LEU 22 H LEU 22 -1.062 2.959 23.332 170 HA LEU 22 HA LEU 22 -3.756 4.134 23.240 171 HB2 LEU 22 HB2 LEU 22 -4.259 1.787 24.334 172 HB3 LEU 22 HB3 LEU 22 -4.123 1.991 22.589 173 HG LEU 22 HG LEU 22 -1.598 1.317 23.915 174 HD11 LEU 22 HD11 LEU 22 -3.834 -0.704 23.867 175 HD12 LEU 22 HD12 LEU 22 -3.147 0.030 25.315 176 HD13 LEU 22 HD13 LEU 22 -2.152 -1.013 24.299 177 HD21 LEU 22 HD21 LEU 22 -1.416 -0.197 22.031 178 HD22 LEU 22 HD22 LEU 22 -1.923 1.400 21.479 179 HD23 LEU 22 HD23 LEU 22 -3.103 0.094 21.605 180 H GLU 23 H GLU 23 -5.024 4.071 25.234 181 HA GLU 23 HA GLU 23 -3.572 5.158 27.419 182 HB2 GLU 23 HB2 GLU 23 -6.449 4.311 27.102 183 HB3 GLU 23 HB3 GLU 23 -5.824 5.010 28.589 184 HG2 GLU 23 HG2 GLU 23 -5.281 7.057 27.471 185 HG3 GLU 23 HG3 GLU 23 -5.693 6.362 25.905 186 H GLU 24 H GLU 24 -3.462 4.344 29.585 187 HA GLU 24 HA GLU 24 -2.552 1.699 29.763 188 HB2 GLU 24 HB2 GLU 24 -2.629 2.080 32.238 189 HB3 GLU 24 HB3 GLU 24 -1.760 3.315 31.338 190 HG2 GLU 24 HG2 GLU 24 -4.508 4.064 31.575 191 HG3 GLU 24 HG3 GLU 24 -3.861 3.660 33.164 192 H ASN 25 H ASN 25 -5.697 3.127 30.366 193 HA ASN 25 HA ASN 25 -6.814 0.817 31.626 194 HB2 ASN 25 HB2 ASN 25 -8.255 3.113 30.282 195 HB3 ASN 25 HB3 ASN 25 -8.942 1.975 31.438 196 HD21 ASN 25 HD21 ASN 25 -8.098 2.004 33.613 197 HD22 ASN 25 HD22 ASN 25 -7.491 3.483 34.268 198 H ASP 26 H ASP 26 -5.701 1.115 28.623 199 HA ASP 26 HA ASP 26 -7.864 -0.475 27.410 200 HB2 ASP 26 HB2 ASP 26 -5.726 1.222 26.109 201 HB3 ASP 26 HB3 ASP 26 -6.838 0.183 25.223 202 H PHE 27 H PHE 27 -4.313 -0.151 27.383 203 HA PHE 27 HA PHE 27 -3.845 -2.697 26.246 204 HB2 PHE 27 HB2 PHE 27 -1.794 -1.827 26.078 205 HB3 PHE 27 HB3 PHE 27 -2.286 -0.470 27.085 206 HD1 PHE 27 HD1 PHE 27 -1.797 -0.437 29.459 207 HD2 PHE 27 HD2 PHE 27 -0.564 -3.683 26.997 208 HE1 PHE 27 HE1 PHE 27 -0.265 -1.193 31.229 209 HE2 PHE 27 HE2 PHE 27 0.970 -4.445 28.764 210 HZ PHE 27 HZ PHE 27 1.120 -3.200 30.884 211 H LYS 28 H LYS 28 -4.024 -1.543 29.571 212 HA LYS 28 HA LYS 28 -3.097 -3.878 30.837 213 HB2 LYS 28 HB2 LYS 28 -3.292 -1.726 31.995 214 HB3 LYS 28 HB3 LYS 28 -5.043 -1.794 31.847 215 HG2 LYS 28 HG2 LYS 28 -5.009 -2.692 33.883 216 HG3 LYS 28 HG3 LYS 28 -4.463 -4.168 33.083 217 HD2 LYS 28 HD2 LYS 28 -2.127 -2.782 33.361 218 HD3 LYS 28 HD3 LYS 28 -3.003 -2.312 34.820 219 HE2 LYS 28 HE2 LYS 28 -2.799 -4.348 35.734 220 HE3 LYS 28 HE3 LYS 28 -3.165 -5.167 34.216 221 HZ1 LYS 28 HZ1 LYS 28 -0.982 -5.250 33.625 222 HZ2 LYS 28 HZ2 LYS 28 -0.804 -5.324 35.305 223 HZ3 LYS 28 HZ3 LYS 28 -0.558 -3.861 34.492 224 H LYS 29 H LYS 29 -6.334 -2.859 29.847 225 HA LYS 29 HA LYS 29 -7.811 -4.903 31.039 226 HB2 LYS 29 HB2 LYS 29 -8.250 -2.852 29.065 227 HB3 LYS 29 HB3 LYS 29 -9.032 -4.344 28.561 228 HG2 LYS 29 HG2 LYS 29 -10.636 -3.133 29.789 229 HG3 LYS 29 HG3 LYS 29 -10.083 -4.432 30.848 230 HD2 LYS 29 HD2 LYS 29 -8.812 -2.969 32.166 231 HD3 LYS 29 HD3 LYS 29 -8.845 -1.698 30.942 232 HE2 LYS 29 HE2 LYS 29 -10.368 -0.940 32.520 233 HE3 LYS 29 HE3 LYS 29 -11.399 -1.718 31.320 234 HZ1 LYS 29 HZ1 LYS 29 -10.934 -2.421 34.071 235 HZ2 LYS 29 HZ2 LYS 29 -10.826 -3.739 33.016 236 HZ3 LYS 29 HZ3 LYS 29 -12.236 -2.806 33.062 237 H LEU 30 H LEU 30 -6.014 -4.834 28.016 238 HA LEU 30 HA LEU 30 -6.973 -7.367 27.095 239 HB2 LEU 30 HB2 LEU 30 -4.371 -6.323 26.145 240 HB3 LEU 30 HB3 LEU 30 -5.714 -7.011 25.235 241 HG LEU 30 HG LEU 30 -5.511 -4.201 26.312 242 HD11 LEU 30 HD11 LEU 30 -5.945 -4.005 23.653 243 HD12 LEU 30 HD12 LEU 30 -4.978 -5.478 23.719 244 HD13 LEU 30 HD13 LEU 30 -4.349 -3.979 24.402 245 HD21 LEU 30 HD21 LEU 30 -7.681 -4.656 24.488 246 HD22 LEU 30 HD22 LEU 30 -7.712 -3.983 26.118 247 HD23 LEU 30 HD23 LEU 30 -7.821 -5.728 25.881 248 H LYS 31 H LYS 31 -3.840 -6.279 28.402 249 HA LYS 31 HA LYS 31 -2.631 -8.798 28.516 250 HB2 LYS 31 HB2 LYS 31 -2.181 -6.321 30.184 251 HB3 LYS 31 HB3 LYS 31 -1.149 -7.743 30.259 252 HG2 LYS 31 HG2 LYS 31 -1.609 -5.971 27.869 253 HG3 LYS 31 HG3 LYS 31 -0.138 -6.091 28.839 254 HD2 LYS 31 HD2 LYS 31 0.027 -8.486 28.171 255 HD3 LYS 31 HD3 LYS 31 -1.346 -8.233 27.091 256 HE2 LYS 31 HE2 LYS 31 -0.119 -7.069 25.587 257 HE3 LYS 31 HE3 LYS 31 0.888 -6.322 26.826 258 HZ1 LYS 31 HZ1 LYS 31 1.175 -8.984 25.582 259 HZ2 LYS 31 HZ2 LYS 31 1.889 -8.640 27.076 260 HZ3 LYS 31 HZ3 LYS 31 2.320 -7.745 25.707 261 H PHE 32 H PHE 32 -4.962 -7.290 30.593 262 HA PHE 32 HA PHE 32 -4.542 -8.867 32.905 263 HB2 PHE 32 HB2 PHE 32 -5.792 -6.825 33.100 264 HB3 PHE 32 HB3 PHE 32 -6.969 -7.368 31.908 265 HD1 PHE 32 HD1 PHE 32 -5.519 -9.061 34.893 266 HD2 PHE 32 HD2 PHE 32 -9.003 -7.556 32.967 267 HE1 PHE 32 HE1 PHE 32 -6.913 -9.985 36.699 268 HE2 PHE 32 HE2 PHE 32 -10.402 -8.476 34.770 269 HZ PHE 32 HZ PHE 32 -9.357 -9.691 36.640 270 H TYR 33 H TYR 33 -6.806 -9.182 30.185 271 HA TYR 33 HA TYR 33 -7.592 -11.829 31.148 272 HB2 TYR 33 HB2 TYR 33 -9.408 -10.354 30.496 273 HB3 TYR 33 HB3 TYR 33 -8.685 -10.113 28.909 274 HD1 TYR 33 HD1 TYR 33 -10.179 -12.709 31.112 275 HD2 TYR 33 HD2 TYR 33 -9.204 -11.554 27.134 276 HE1 TYR 33 HE1 TYR 33 -11.452 -14.628 30.248 277 HE2 TYR 33 HE2 TYR 33 -10.476 -13.469 26.260 278 HH TYR 33 HH TYR 33 -12.478 -14.920 27.174 279 H LEU 34 H LEU 34 -6.523 -10.326 28.095 280 HA LEU 34 HA LEU 34 -6.133 -12.618 26.608 281 HB2 LEU 34 HB2 LEU 34 -5.578 -9.903 26.330 282 HB3 LEU 34 HB3 LEU 34 -4.021 -10.703 26.130 283 HG LEU 34 HG LEU 34 -5.195 -12.169 24.396 284 HD11 LEU 34 HD11 LEU 34 -7.429 -11.904 24.439 285 HD12 LEU 34 HD12 LEU 34 -7.083 -10.542 23.374 286 HD13 LEU 34 HD13 LEU 34 -7.332 -10.270 25.098 287 HD21 LEU 34 HD21 LEU 34 -4.232 -9.416 24.215 288 HD22 LEU 34 HD22 LEU 34 -5.264 -9.901 22.869 289 HD23 LEU 34 HD23 LEU 34 -3.814 -10.831 23.251 290 H ARG 35 H ARG 35 -3.631 -10.880 28.468 291 HA ARG 35 HA ARG 35 -1.622 -12.808 28.119 292 HB2 ARG 35 HB2 ARG 35 -1.786 -10.314 29.283 293 HB3 ARG 35 HB3 ARG 35 -1.492 -11.366 30.661 294 HG2 ARG 35 HG2 ARG 35 0.262 -12.099 28.530 295 HG3 ARG 35 HG3 ARG 35 0.371 -10.360 28.813 296 HD2 ARG 35 HD2 ARG 35 0.302 -11.914 31.275 297 HD3 ARG 35 HD3 ARG 35 1.670 -12.326 30.242 298 HE ARG 35 HE ARG 35 1.406 -9.516 30.485 299 HH11 ARG 35 HH11 ARG 35 2.453 -12.343 32.225 300 HH12 ARG 35 HH12 ARG 35 3.591 -11.479 33.205 301 HH21 ARG 35 HH21 ARG 35 2.901 -8.367 31.769 302 HH22 ARG 35 HH22 ARG 35 3.844 -9.217 32.946 303 H ASP 36 H ASP 36 -4.046 -12.390 30.659 304 HA ASP 36 HA ASP 36 -3.228 -14.190 32.544 305 HB2 ASP 36 HB2 ASP 36 -5.749 -13.010 31.749 306 HB3 ASP 36 HB3 ASP 36 -5.981 -14.660 32.321 307 H MET 37 H MET 37 -5.098 -14.930 29.610 308 HA MET 37 HA MET 37 -4.854 -17.781 30.118 309 HB2 MET 37 HB2 MET 37 -6.176 -16.269 27.859 310 HB3 MET 37 HB3 MET 37 -6.226 -18.015 28.064 311 HG2 MET 37 HG2 MET 37 -7.264 -17.551 30.342 312 HG3 MET 37 HG3 MET 37 -7.487 -15.899 29.770 313 HE1 MET 37 HE1 MET 37 -9.713 -16.418 30.628 314 HE2 MET 37 HE2 MET 37 -11.010 -16.682 29.463 315 HE3 MET 37 HE3 MET 37 -10.379 -18.036 30.401 316 H THR 38 H THR 38 -4.229 -15.736 27.260 317 HA THR 38 HA THR 38 -2.731 -17.441 25.764 318 HB THR 38 HB THR 38 -1.630 -15.524 24.748 319 HG1 THR 38 HG1 THR 38 -1.841 -13.461 25.711 320 HG21 THR 38 HG21 THR 38 -4.490 -14.961 25.539 321 HG22 THR 38 HG22 THR 38 -3.942 -15.868 24.129 322 HG23 THR 38 HG23 THR 38 -3.625 -14.137 24.243 323 H LEU 39 H LEU 39 -1.309 -15.106 28.062 324 HA LEU 39 HA LEU 39 1.140 -16.708 28.102 325 HB2 LEU 39 HB2 LEU 39 0.482 -13.911 28.969 326 HB3 LEU 39 HB3 LEU 39 1.977 -14.705 29.460 327 HG LEU 39 HG LEU 39 2.462 -15.006 26.987 328 HD11 LEU 39 HD11 LEU 39 0.432 -14.675 25.908 329 HD12 LEU 39 HD12 LEU 39 1.296 -13.166 25.616 330 HD13 LEU 39 HD13 LEU 39 0.047 -13.240 26.859 331 HD21 LEU 39 HD21 LEU 39 2.319 -12.098 27.516 332 HD22 LEU 39 HD22 LEU 39 3.681 -13.094 27.002 333 HD23 LEU 39 HD23 LEU 39 3.182 -13.086 28.695 334 H SER 40 H SER 40 2.244 -16.378 30.452 335 HA SER 40 HA SER 40 0.385 -17.703 32.285 336 HB2 SER 40 HB2 SER 40 2.334 -18.521 33.448 337 HB3 SER 40 HB3 SER 40 2.578 -18.785 31.722 338 HG SER 40 HG SER 40 4.433 -17.862 32.331 339 H GLU 41 H GLU 41 1.003 -17.245 34.702 340 HA GLU 41 HA GLU 41 0.477 -14.443 35.121 341 HB2 GLU 41 HB2 GLU 41 -0.038 -16.834 36.522 342 HB3 GLU 41 HB3 GLU 41 1.010 -15.877 37.560 343 HG2 GLU 41 HG2 GLU 41 -1.018 -15.110 38.235 344 HG3 GLU 41 HG3 GLU 41 -0.677 -13.960 36.943 345 H GLY 42 H GLY 42 1.700 -13.788 37.440 346 HA2 GLY 42 HA2 GLY 42 3.903 -13.731 38.463 347 HA3 GLY 42 HA3 GLY 42 4.585 -14.045 36.874 348 H GLN 43 H GLN 43 2.017 -11.874 36.709 349 HA GLN 43 HA GLN 43 3.896 -9.659 36.350 350 HB2 GLN 43 HB2 GLN 43 1.915 -8.537 35.268 351 HB3 GLN 43 HB3 GLN 43 2.496 -9.983 34.453 352 HG2 GLN 43 HG2 GLN 43 0.630 -11.180 34.935 353 HG3 GLN 43 HG3 GLN 43 0.331 -10.318 36.444 354 HE21 GLN 43 HE21 GLN 43 -1.603 -10.931 34.464 355 HE22 GLN 43 HE22 GLN 43 -2.210 -9.437 33.843 356 HA PRO 44 HA PRO 44 2.646 -7.493 39.954 357 HB2 PRO 44 HB2 PRO 44 2.798 -4.917 39.112 358 HB3 PRO 44 HB3 PRO 44 4.226 -5.915 39.413 359 HG2 PRO 44 HG2 PRO 44 2.880 -5.267 36.819 360 HG3 PRO 44 HG3 PRO 44 4.611 -5.313 37.200 361 HD2 PRO 44 HD2 PRO 44 3.348 -7.337 35.919 362 HD3 PRO 44 HD3 PRO 44 4.720 -7.608 37.012 363 HA PRO 45 HA PRO 45 -1.613 -6.402 39.901 364 HB2 PRO 45 HB2 PRO 45 -1.740 -4.387 41.717 365 HB3 PRO 45 HB3 PRO 45 -1.469 -6.074 42.171 366 HG2 PRO 45 HG2 PRO 45 0.515 -3.854 41.856 367 HG3 PRO 45 HG3 PRO 45 0.410 -5.090 43.124 368 HD2 PRO 45 HD2 PRO 45 2.151 -5.266 41.057 369 HD3 PRO 45 HD3 PRO 45 1.423 -6.696 41.817 370 H LEU 46 H LEU 46 -3.123 -4.381 39.850 371 HA LEU 46 HA LEU 46 -2.821 -3.077 37.441 372 HB2 LEU 46 HB2 LEU 46 -4.452 -2.566 39.876 373 HB3 LEU 46 HB3 LEU 46 -4.401 -1.327 38.624 374 HG LEU 46 HG LEU 46 -5.538 -2.643 37.094 375 HD11 LEU 46 HD11 LEU 46 -4.164 -4.609 37.164 376 HD12 LEU 46 HD12 LEU 46 -5.849 -5.088 37.366 377 HD13 LEU 46 HD13 LEU 46 -4.775 -5.032 38.764 378 HD21 LEU 46 HD21 LEU 46 -7.410 -2.399 38.264 379 HD22 LEU 46 HD22 LEU 46 -6.551 -2.601 39.791 380 HD23 LEU 46 HD23 LEU 46 -7.145 -4.015 38.918 381 H ALA 47 H ALA 47 -1.590 -1.464 36.739 382 HA ALA 47 HA ALA 47 -0.767 0.670 38.525 383 HB1 ALA 47 HB1 ALA 47 1.175 -0.343 39.012 384 HB2 ALA 47 HB2 ALA 47 1.047 -1.464 37.656 385 HB3 ALA 47 HB3 ALA 47 1.652 0.172 37.394 386 H ARG 48 H ARG 48 -2.048 1.945 37.128 387 HA ARG 48 HA ARG 48 -1.851 2.064 34.354 388 HB2 ARG 48 HB2 ARG 48 -2.731 4.404 34.611 389 HB3 ARG 48 HB3 ARG 48 -3.667 3.168 35.441 390 HG2 ARG 48 HG2 ARG 48 -1.897 3.959 37.373 391 HG3 ARG 48 HG3 ARG 48 -2.226 5.463 36.509 392 HD2 ARG 48 HD2 ARG 48 -3.848 5.340 38.214 393 HD3 ARG 48 HD3 ARG 48 -4.683 4.888 36.728 394 HE ARG 48 HE ARG 48 -3.743 2.555 37.941 395 HH11 ARG 48 HH11 ARG 48 -6.059 5.087 38.524 396 HH12 ARG 48 HH12 ARG 48 -7.127 4.078 39.443 397 HH21 ARG 48 HH21 ARG 48 -5.140 1.216 39.150 398 HH22 ARG 48 HH22 ARG 48 -6.602 1.877 39.799 399 H GLY 49 H GLY 49 0.268 3.289 36.809 400 HA2 GLY 49 HA2 GLY 49 1.627 5.175 35.120 401 HA3 GLY 49 HA3 GLY 49 2.147 4.632 36.708 402 H GLU 50 H GLU 50 1.568 1.889 35.028 403 HA GLU 50 HA GLU 50 4.377 1.392 34.639 404 HB2 GLU 50 HB2 GLU 50 3.191 -0.451 35.490 405 HB3 GLU 50 HB3 GLU 50 1.887 -0.262 34.326 406 HG2 GLU 50 HG2 GLU 50 3.221 -1.108 32.560 407 HG3 GLU 50 HG3 GLU 50 4.681 -1.038 33.545 408 H LEU 51 H LEU 51 1.667 2.270 32.670 409 HA LEU 51 HA LEU 51 3.195 1.751 30.219 410 HB2 LEU 51 HB2 LEU 51 0.942 0.847 30.268 411 HB3 LEU 51 HB3 LEU 51 0.289 2.444 30.628 412 HG LEU 51 HG LEU 51 1.323 3.118 28.351 413 HD11 LEU 51 HD11 LEU 51 2.443 1.510 27.304 414 HD12 LEU 51 HD12 LEU 51 0.893 0.715 27.032 415 HD13 LEU 51 HD13 LEU 51 1.872 0.281 28.433 416 HD21 LEU 51 HD21 LEU 51 -1.074 1.292 28.504 417 HD22 LEU 51 HD22 LEU 51 -0.716 2.421 27.196 418 HD23 LEU 51 HD23 LEU 51 -1.070 3.029 28.814 419 H GLU 52 H GLU 52 1.048 4.301 31.501 420 HA GLU 52 HA GLU 52 2.112 6.284 29.743 421 HB2 GLU 52 HB2 GLU 52 -0.169 6.480 30.514 422 HB3 GLU 52 HB3 GLU 52 0.356 6.504 32.191 423 HG2 GLU 52 HG2 GLU 52 1.550 8.631 31.726 424 HG3 GLU 52 HG3 GLU 52 0.844 8.621 30.111 425 H GLY 53 H GLY 53 2.789 5.245 33.012 426 HA2 GLY 53 HA2 GLY 53 4.479 7.534 33.574 427 HA3 GLY 53 HA3 GLY 53 4.199 6.158 34.629 428 H LEU 54 H LEU 54 5.050 4.015 33.420 429 HA LEU 54 HA LEU 54 7.892 4.545 32.984 430 HB2 LEU 54 HB2 LEU 54 6.401 1.989 33.557 431 HB3 LEU 54 HB3 LEU 54 8.143 2.098 33.316 432 HG LEU 54 HG LEU 54 6.537 3.248 35.593 433 HD11 LEU 54 HD11 LEU 54 8.424 1.779 36.745 434 HD12 LEU 54 HD12 LEU 54 8.313 0.906 35.217 435 HD13 LEU 54 HD13 LEU 54 6.881 1.096 36.229 436 HD21 LEU 54 HD21 LEU 54 9.173 3.588 36.234 437 HD22 LEU 54 HD22 LEU 54 8.094 4.854 35.650 438 HD23 LEU 54 HD23 LEU 54 9.148 4.003 34.520 439 H ILE 55 H ILE 55 8.117 5.100 30.866 440 HA ILE 55 HA ILE 55 6.947 4.591 28.601 441 HB ILE 55 HB ILE 55 9.039 4.367 27.404 442 HG12 ILE 55 HG12 ILE 55 10.282 3.811 30.107 443 HG13 ILE 55 HG13 ILE 55 10.063 2.632 28.819 444 HG21 ILE 55 HG21 ILE 55 10.048 6.371 28.076 445 HG22 ILE 55 HG22 ILE 55 8.373 6.518 28.605 446 HG23 ILE 55 HG23 ILE 55 9.634 6.114 29.770 447 HD11 ILE 55 HD11 ILE 55 11.828 5.065 28.748 448 HD12 ILE 55 HD12 ILE 55 12.341 3.381 28.852 449 HD13 ILE 55 HD13 ILE 55 11.556 3.975 27.389 450 HA PRO 56 HA PRO 56 6.262 0.340 27.752 451 HB2 PRO 56 HB2 PRO 56 6.626 0.232 25.063 452 HB3 PRO 56 HB3 PRO 56 5.221 1.001 25.812 453 HG2 PRO 56 HG2 PRO 56 7.721 2.254 24.743 454 HG3 PRO 56 HG3 PRO 56 6.038 2.781 24.559 455 HD2 PRO 56 HD2 PRO 56 7.729 3.903 26.353 456 HD3 PRO 56 HD3 PRO 56 5.984 3.757 26.647 457 H VAL 57 H VAL 57 9.263 1.753 26.610 458 HA VAL 57 HA VAL 57 10.596 -0.549 25.765 459 HB VAL 57 HB VAL 57 11.863 1.819 27.146 460 HG11 VAL 57 HG11 VAL 57 13.767 0.734 26.792 461 HG12 VAL 57 HG12 VAL 57 12.915 -0.576 25.972 462 HG13 VAL 57 HG13 VAL 57 13.461 0.832 25.059 463 HG21 VAL 57 HG21 VAL 57 10.618 2.797 25.434 464 HG22 VAL 57 HG22 VAL 57 12.205 2.556 24.703 465 HG23 VAL 57 HG23 VAL 57 10.887 1.444 24.335 466 H ASP 58 H ASP 58 9.718 0.478 28.921 467 HA ASP 58 HA ASP 58 11.662 -1.251 30.232 468 HB2 ASP 58 HB2 ASP 58 10.108 1.046 30.994 469 HB3 ASP 58 HB3 ASP 58 9.795 -0.277 32.115 470 H LEU 59 H LEU 59 8.114 -0.867 30.347 471 HA LEU 59 HA LEU 59 7.594 -3.299 31.629 472 HB2 LEU 59 HB2 LEU 59 5.542 -2.470 31.631 473 HB3 LEU 59 HB3 LEU 59 6.109 -1.149 30.611 474 HG LEU 59 HG LEU 59 5.158 -3.748 29.442 475 HD11 LEU 59 HD11 LEU 59 3.549 -1.405 30.390 476 HD12 LEU 59 HD12 LEU 59 3.263 -3.126 30.645 477 HD13 LEU 59 HD13 LEU 59 3.001 -2.415 29.052 478 HD21 LEU 59 HD21 LEU 59 6.398 -1.551 28.344 479 HD22 LEU 59 HD22 LEU 59 4.690 -1.248 28.026 480 HD23 LEU 59 HD23 LEU 59 5.440 -2.745 27.468 481 H ALA 60 H ALA 60 8.178 -2.540 28.280 482 HA ALA 60 HA ALA 60 7.133 -4.902 27.133 483 HB1 ALA 60 HB1 ALA 60 8.494 -4.320 25.177 484 HB2 ALA 60 HB2 ALA 60 7.604 -2.928 25.796 485 HB3 ALA 60 HB3 ALA 60 9.328 -3.093 26.131 486 H GLU 61 H GLU 61 10.337 -4.056 28.371 487 HA GLU 61 HA GLU 61 11.746 -6.302 27.526 488 HB2 GLU 61 HB2 GLU 61 12.082 -4.231 29.579 489 HB3 GLU 61 HB3 GLU 61 12.872 -5.753 29.965 490 HG2 GLU 61 HG2 GLU 61 13.955 -5.655 27.708 491 HG3 GLU 61 HG3 GLU 61 13.309 -4.023 27.548 492 H LEU 62 H LEU 62 9.722 -5.829 30.379 493 HA LEU 62 HA LEU 62 10.317 -8.376 31.527 494 HB2 LEU 62 HB2 LEU 62 9.604 -6.717 33.026 495 HB3 LEU 62 HB3 LEU 62 8.214 -6.295 32.028 496 HG LEU 62 HG LEU 62 8.222 -9.043 33.091 497 HD11 LEU 62 HD11 LEU 62 7.277 -8.077 35.283 498 HD12 LEU 62 HD12 LEU 62 8.187 -6.628 34.860 499 HD13 LEU 62 HD13 LEU 62 9.028 -8.162 35.083 500 HD21 LEU 62 HD21 LEU 62 6.361 -8.121 31.806 501 HD22 LEU 62 HD22 LEU 62 6.165 -6.838 33.001 502 HD23 LEU 62 HD23 LEU 62 5.867 -8.517 33.452 503 H LEU 63 H LEU 63 7.657 -7.086 29.577 504 HA LEU 63 HA LEU 63 6.010 -9.353 29.635 505 HB2 LEU 63 HB2 LEU 63 5.649 -6.924 28.702 506 HB3 LEU 63 HB3 LEU 63 6.181 -7.655 27.189 507 HG LEU 63 HG LEU 63 3.813 -7.663 27.168 508 HD11 LEU 63 HD11 LEU 63 3.302 -9.985 26.949 509 HD12 LEU 63 HD12 LEU 63 4.632 -10.434 28.016 510 HD13 LEU 63 HD13 LEU 63 4.970 -9.744 26.429 511 HD21 LEU 63 HD21 LEU 63 2.687 -7.565 29.078 512 HD22 LEU 63 HD22 LEU 63 4.110 -8.063 29.994 513 HD23 LEU 63 HD23 LEU 63 3.024 -9.280 29.321 514 H ILE 64 H ILE 64 8.416 -8.353 27.205 515 HA ILE 64 HA ILE 64 8.166 -10.557 25.514 516 HB ILE 64 HB ILE 64 10.336 -9.989 24.623 517 HG12 ILE 64 HG12 ILE 64 10.666 -8.145 26.998 518 HG13 ILE 64 HG13 ILE 64 11.466 -9.704 26.829 519 HG21 ILE 64 HG21 ILE 64 9.782 -7.257 24.937 520 HG22 ILE 64 HG22 ILE 64 9.267 -8.319 23.627 521 HG23 ILE 64 HG23 ILE 64 8.230 -8.089 25.035 522 HD11 ILE 64 HD11 ILE 64 11.813 -7.757 24.630 523 HD12 ILE 64 HD12 ILE 64 12.630 -7.424 26.157 524 HD13 ILE 64 HD13 ILE 64 12.945 -8.932 25.299 525 H SER 65 H SER 65 9.854 -10.190 28.542 526 HA SER 65 HA SER 65 11.385 -12.613 28.256 527 HB2 SER 65 HB2 SER 65 12.540 -11.255 29.684 528 HB3 SER 65 HB3 SER 65 11.079 -10.494 30.311 529 HG SER 65 HG SER 65 11.232 -11.797 31.936 530 H LYS 66 H LYS 66 8.337 -11.657 29.668 531 HA LYS 66 HA LYS 66 7.805 -13.728 31.402 532 HB2 LYS 66 HB2 LYS 66 6.230 -11.977 31.302 533 HB3 LYS 66 HB3 LYS 66 6.016 -12.153 29.565 534 HG2 LYS 66 HG2 LYS 66 4.098 -12.963 30.905 535 HG3 LYS 66 HG3 LYS 66 4.803 -14.194 29.854 536 HD2 LYS 66 HD2 LYS 66 4.339 -15.170 32.008 537 HD3 LYS 66 HD3 LYS 66 6.087 -15.048 31.797 538 HE2 LYS 66 HE2 LYS 66 5.834 -12.788 33.032 539 HE3 LYS 66 HE3 LYS 66 4.272 -13.426 33.544 540 HZ1 LYS 66 HZ1 LYS 66 5.320 -14.522 35.137 541 HZ2 LYS 66 HZ2 LYS 66 6.826 -13.990 34.582 542 HZ3 LYS 66 HZ3 LYS 66 6.159 -15.422 33.976 543 H TYR 67 H TYR 67 6.670 -13.649 28.018 544 HA TYR 67 HA TYR 67 6.890 -16.588 27.989 545 HB2 TYR 67 HB2 TYR 67 4.597 -15.059 27.630 546 HB3 TYR 67 HB3 TYR 67 5.081 -15.484 25.992 547 HD1 TYR 67 HD1 TYR 67 5.515 -17.968 25.500 548 HD2 TYR 67 HD2 TYR 67 3.443 -16.598 28.955 549 HE1 TYR 67 HE1 TYR 67 4.516 -20.199 25.779 550 HE2 TYR 67 HE2 TYR 67 2.440 -18.824 29.244 551 HH TYR 67 HH TYR 67 3.532 -21.565 27.568 552 H GLY 68 H GLY 68 7.215 -13.612 26.112 553 HA2 GLY 68 HA2 GLY 68 9.528 -14.140 24.813 554 HA3 GLY 68 HA3 GLY 68 8.341 -14.988 23.834 555 H GLU 69 H GLU 69 10.008 -12.765 23.049 556 HA GLU 69 HA GLU 69 8.533 -10.349 23.035 557 HB2 GLU 69 HB2 GLU 69 10.086 -9.700 21.184 558 HB3 GLU 69 HB3 GLU 69 10.894 -10.266 22.640 559 HG2 GLU 69 HG2 GLU 69 11.718 -12.115 21.637 560 HG3 GLU 69 HG3 GLU 69 10.329 -12.291 20.568 561 H LYS 70 H LYS 70 8.398 -13.220 21.112 562 HA LYS 70 HA LYS 70 7.174 -12.170 18.799 563 HB2 LYS 70 HB2 LYS 70 7.055 -14.926 20.031 564 HB3 LYS 70 HB3 LYS 70 6.387 -14.531 18.452 565 HG2 LYS 70 HG2 LYS 70 9.281 -14.302 19.254 566 HG3 LYS 70 HG3 LYS 70 8.573 -15.570 18.249 567 HD2 LYS 70 HD2 LYS 70 8.847 -14.305 16.443 568 HD3 LYS 70 HD3 LYS 70 7.841 -13.044 17.159 569 HE2 LYS 70 HE2 LYS 70 9.674 -11.917 18.048 570 HE3 LYS 70 HE3 LYS 70 10.719 -13.333 17.937 571 HZ1 LYS 70 HZ1 LYS 70 9.637 -12.124 15.483 572 HZ2 LYS 70 HZ2 LYS 70 11.055 -13.020 15.698 573 HZ3 LYS 70 HZ3 LYS 70 10.976 -11.420 16.240 574 H GLU 71 H GLU 71 5.444 -14.416 20.907 575 HA GLU 71 HA GLU 71 2.901 -13.579 20.292 576 HB2 GLU 71 HB2 GLU 71 2.264 -14.515 22.568 577 HB3 GLU 71 HB3 GLU 71 3.126 -15.602 21.488 578 HG2 GLU 71 HG2 GLU 71 4.937 -14.106 23.176 579 HG3 GLU 71 HG3 GLU 71 3.761 -15.024 24.116 580 H ALA 72 H ALA 72 5.195 -12.109 22.446 581 HA ALA 72 HA ALA 72 3.641 -10.584 24.116 582 HB1 ALA 72 HB1 ALA 72 5.808 -10.235 24.632 583 HB2 ALA 72 HB2 ALA 72 6.332 -10.296 22.949 584 HB3 ALA 72 HB3 ALA 72 5.607 -8.824 23.594 585 H VAL 73 H VAL 73 4.972 -9.364 21.035 586 HA VAL 73 HA VAL 73 3.446 -7.037 20.928 587 HB VAL 73 HB VAL 73 4.695 -8.678 18.732 588 HG11 VAL 73 HG11 VAL 73 2.965 -6.266 18.560 589 HG12 VAL 73 HG12 VAL 73 4.359 -6.376 17.484 590 HG13 VAL 73 HG13 VAL 73 3.117 -7.629 17.453 591 HG21 VAL 73 HG21 VAL 73 6.492 -7.704 19.674 592 HG22 VAL 73 HG22 VAL 73 5.960 -6.282 18.777 593 HG23 VAL 73 HG23 VAL 73 5.529 -6.465 20.477 594 H LYS 74 H LYS 74 2.819 -10.204 19.437 595 HA LYS 74 HA LYS 74 0.467 -9.594 18.101 596 HB2 LYS 74 HB2 LYS 74 1.426 -12.143 19.390 597 HB3 LYS 74 HB3 LYS 74 -0.086 -12.063 18.496 598 HG2 LYS 74 HG2 LYS 74 0.961 -12.185 16.542 599 HG3 LYS 74 HG3 LYS 74 2.108 -10.921 16.994 600 HD2 LYS 74 HD2 LYS 74 3.572 -12.649 16.816 601 HD3 LYS 74 HD3 LYS 74 3.075 -12.908 18.490 602 HE2 LYS 74 HE2 LYS 74 2.445 -14.960 17.914 603 HE3 LYS 74 HE3 LYS 74 1.174 -14.238 16.928 604 HZ1 LYS 74 HZ1 LYS 74 2.895 -14.082 15.122 605 HZ2 LYS 74 HZ2 LYS 74 2.389 -15.647 15.514 606 HZ3 LYS 74 HZ3 LYS 74 3.882 -15.076 16.070 607 H VAL 75 H VAL 75 0.966 -10.471 21.483 608 HA VAL 75 HA VAL 75 -1.746 -10.745 22.196 609 HB VAL 75 HB VAL 75 0.676 -10.033 23.846 610 HG11 VAL 75 HG11 VAL 75 -2.180 -10.444 24.683 611 HG12 VAL 75 HG12 VAL 75 -0.829 -10.690 25.791 612 HG13 VAL 75 HG13 VAL 75 -1.102 -9.103 25.071 613 HG21 VAL 75 HG21 VAL 75 1.057 -12.220 23.868 614 HG22 VAL 75 HG22 VAL 75 -0.559 -12.519 24.507 615 HG23 VAL 75 HG23 VAL 75 -0.299 -12.454 22.764 616 H VAL 76 H VAL 76 0.217 -7.977 21.598 617 HA VAL 76 HA VAL 76 -1.426 -6.126 23.072 618 HB VAL 76 HB VAL 76 1.006 -5.945 21.403 619 HG11 VAL 76 HG11 VAL 76 0.690 -3.414 21.307 620 HG12 VAL 76 HG12 VAL 76 -0.200 -4.384 20.131 621 HG13 VAL 76 HG13 VAL 76 -1.026 -3.739 21.550 622 HG21 VAL 76 HG21 VAL 76 1.456 -5.862 23.665 623 HG22 VAL 76 HG22 VAL 76 1.405 -4.148 23.251 624 HG23 VAL 76 HG23 VAL 76 0.015 -4.911 24.025 625 H LEU 77 H LEU 77 -0.816 -6.733 19.613 626 HA LEU 77 HA LEU 77 -2.815 -4.947 18.699 627 HB2 LEU 77 HB2 LEU 77 -2.548 -6.170 16.534 628 HB3 LEU 77 HB3 LEU 77 -1.061 -5.511 17.213 629 HG LEU 77 HG LEU 77 -1.006 -8.049 18.187 630 HD11 LEU 77 HD11 LEU 77 -1.694 -8.686 15.416 631 HD12 LEU 77 HD12 LEU 77 -3.066 -8.208 16.414 632 HD13 LEU 77 HD13 LEU 77 -2.046 -9.560 16.906 633 HD21 LEU 77 HD21 LEU 77 0.171 -8.015 15.570 634 HD22 LEU 77 HD22 LEU 77 0.954 -7.953 17.150 635 HD23 LEU 77 HD23 LEU 77 0.423 -6.463 16.369 636 H LYS 78 H LYS 78 -2.750 -8.498 18.966 637 HA LYS 78 HA LYS 78 -5.258 -9.098 18.019 638 HB2 LYS 78 HB2 LYS 78 -3.354 -10.625 18.959 639 HB3 LYS 78 HB3 LYS 78 -4.233 -10.481 20.475 640 HG2 LYS 78 HG2 LYS 78 -5.715 -11.279 18.019 641 HG3 LYS 78 HG3 LYS 78 -4.695 -12.464 18.838 642 HD2 LYS 78 HD2 LYS 78 -6.841 -10.848 20.208 643 HD3 LYS 78 HD3 LYS 78 -7.088 -12.473 19.565 644 HE2 LYS 78 HE2 LYS 78 -4.737 -12.253 21.277 645 HE3 LYS 78 HE3 LYS 78 -6.239 -11.851 22.107 646 HZ1 LYS 78 HZ1 LYS 78 -5.896 -14.162 22.355 647 HZ2 LYS 78 HZ2 LYS 78 -5.572 -14.378 20.709 648 HZ3 LYS 78 HZ3 LYS 78 -7.138 -13.990 21.219 649 H GLY 79 H GLY 79 -4.368 -8.042 21.285 650 HA2 GLY 79 HA2 GLY 79 -7.122 -8.136 22.183 651 HA3 GLY 79 HA3 GLY 79 -5.734 -7.606 23.121 652 H LEU 80 H LEU 80 -5.121 -5.870 20.608 653 HA LEU 80 HA LEU 80 -6.300 -3.492 21.661 654 HB2 LEU 80 HB2 LEU 80 -4.201 -4.173 19.872 655 HB3 LEU 80 HB3 LEU 80 -5.279 -3.051 19.045 656 HG LEU 80 HG LEU 80 -4.938 -1.382 20.735 657 HD11 LEU 80 HD11 LEU 80 -4.679 -2.165 22.816 658 HD12 LEU 80 HD12 LEU 80 -2.961 -2.200 22.418 659 HD13 LEU 80 HD13 LEU 80 -3.931 -3.665 22.267 660 HD21 LEU 80 HD21 LEU 80 -2.156 -1.857 20.644 661 HD22 LEU 80 HD22 LEU 80 -3.117 -0.796 19.613 662 HD23 LEU 80 HD23 LEU 80 -2.840 -2.473 19.140 663 H LYS 81 H LYS 81 -7.062 -5.689 19.070 664 HA LYS 81 HA LYS 81 -8.685 -4.151 17.449 665 HB2 LYS 81 HB2 LYS 81 -8.684 -7.049 18.198 666 HB3 LYS 81 HB3 LYS 81 -10.005 -6.414 17.226 667 HG2 LYS 81 HG2 LYS 81 -7.881 -5.423 15.882 668 HG3 LYS 81 HG3 LYS 81 -7.205 -6.929 16.509 669 HD2 LYS 81 HD2 LYS 81 -9.731 -7.631 15.587 670 HD3 LYS 81 HD3 LYS 81 -9.117 -6.504 14.375 671 HE2 LYS 81 HE2 LYS 81 -6.989 -8.228 15.048 672 HE3 LYS 81 HE3 LYS 81 -8.413 -9.242 14.822 673 HZ1 LYS 81 HZ1 LYS 81 -7.668 -7.168 12.853 674 HZ2 LYS 81 HZ2 LYS 81 -8.676 -8.509 12.640 675 HZ3 LYS 81 HZ3 LYS 81 -7.005 -8.723 12.788 676 H VAL 82 H VAL 82 -9.762 -6.147 20.205 677 HA VAL 82 HA VAL 82 -12.423 -5.291 20.207 678 HB VAL 82 HB VAL 82 -10.960 -6.027 22.729 679 HG11 VAL 82 HG11 VAL 82 -12.997 -6.226 23.594 680 HG12 VAL 82 HG12 VAL 82 -13.638 -5.521 22.109 681 HG13 VAL 82 HG13 VAL 82 -13.515 -7.273 22.273 682 HG21 VAL 82 HG21 VAL 82 -11.609 -8.421 22.045 683 HG22 VAL 82 HG22 VAL 82 -11.682 -7.779 20.404 684 HG23 VAL 82 HG23 VAL 82 -10.173 -7.705 21.314 685 H MET 83 H MET 83 -9.729 -3.453 20.736 686 HA MET 83 HA MET 83 -11.098 -1.633 22.594 687 HB2 MET 83 HB2 MET 83 -8.185 -1.758 21.794 688 HB3 MET 83 HB3 MET 83 -8.876 -0.597 22.919 689 HG2 MET 83 HG2 MET 83 -8.740 -3.580 23.281 690 HG3 MET 83 HG3 MET 83 -7.772 -2.370 24.119 691 HE1 MET 83 HE1 MET 83 -10.514 -0.143 25.249 692 HE2 MET 83 HE2 MET 83 -9.649 -0.804 26.636 693 HE3 MET 83 HE3 MET 83 -8.775 -0.418 25.153 694 H ASN 84 H ASN 84 -10.676 -2.094 19.366 695 HA ASN 84 HA ASN 84 -11.002 -0.799 17.526 696 HB2 ASN 84 HB2 ASN 84 -12.827 0.112 19.151 697 HB3 ASN 84 HB3 ASN 84 -11.775 1.519 19.269 698 HD21 ASN 84 HD21 ASN 84 -11.839 3.008 17.711 699 HD22 ASN 84 HD22 ASN 84 -12.741 2.869 16.244 700 H LEU 85 H LEU 85 -8.419 -0.887 18.716 701 HA LEU 85 HA LEU 85 -7.361 1.819 18.415 702 HB2 LEU 85 HB2 LEU 85 -6.446 -0.687 19.663 703 HB3 LEU 85 HB3 LEU 85 -5.188 0.285 18.903 704 HG LEU 85 HG LEU 85 -5.235 0.869 21.201 705 HD11 LEU 85 HD11 LEU 85 -5.359 3.147 21.027 706 HD12 LEU 85 HD12 LEU 85 -6.851 3.108 20.089 707 HD13 LEU 85 HD13 LEU 85 -5.316 2.702 19.321 708 HD21 LEU 85 HD21 LEU 85 -7.053 0.794 22.480 709 HD22 LEU 85 HD22 LEU 85 -7.929 0.195 21.072 710 HD23 LEU 85 HD23 LEU 85 -7.917 1.921 21.434 711 H LEU 86 H LEU 86 -8.402 0.214 16.147 712 HA LEU 86 HA LEU 86 -6.294 -0.779 14.573 713 HB2 LEU 86 HB2 LEU 86 -7.819 -0.832 12.788 714 HB3 LEU 86 HB3 LEU 86 -8.770 -1.133 14.242 715 HG LEU 86 HG LEU 86 -9.123 1.515 14.036 716 HD11 LEU 86 HD11 LEU 86 -8.010 2.079 12.108 717 HD12 LEU 86 HD12 LEU 86 -9.631 1.773 11.487 718 HD13 LEU 86 HD13 LEU 86 -8.376 0.546 11.317 719 HD21 LEU 86 HD21 LEU 86 -10.713 -0.443 12.392 720 HD22 LEU 86 HD22 LEU 86 -11.280 1.044 13.152 721 HD23 LEU 86 HD23 LEU 86 -10.816 -0.335 14.149 722 H GLU 87 H GLU 87 -7.055 2.384 15.480 723 HA GLU 87 HA GLU 87 -6.423 3.927 13.273 724 HB2 GLU 87 HB2 GLU 87 -7.243 5.038 15.193 725 HB3 GLU 87 HB3 GLU 87 -5.976 4.376 16.215 726 HG2 GLU 87 HG2 GLU 87 -4.468 5.939 15.602 727 HG3 GLU 87 HG3 GLU 87 -5.095 6.061 13.960 728 H LEU 88 H LEU 88 -4.092 3.575 15.926 729 HA LEU 88 HA LEU 88 -1.882 4.019 14.169 730 HB2 LEU 88 HB2 LEU 88 -0.597 4.165 16.047 731 HB3 LEU 88 HB3 LEU 88 -2.183 4.529 16.722 732 HG LEU 88 HG LEU 88 -1.022 3.067 18.222 733 HD11 LEU 88 HD11 LEU 88 -2.920 2.007 18.649 734 HD12 LEU 88 HD12 LEU 88 -2.672 0.931 17.275 735 HD13 LEU 88 HD13 LEU 88 -3.506 2.469 17.051 736 HD21 LEU 88 HD21 LEU 88 0.187 2.047 15.979 737 HD22 LEU 88 HD22 LEU 88 -0.876 0.732 16.480 738 HD23 LEU 88 HD23 LEU 88 0.313 1.384 17.609 739 H VAL 89 H VAL 89 -3.507 1.226 15.435 740 HA VAL 89 HA VAL 89 -1.542 -0.725 15.206 741 HB VAL 89 HB VAL 89 -4.508 -0.742 15.101 742 HG11 VAL 89 HG11 VAL 89 -4.403 -3.252 14.710 743 HG12 VAL 89 HG12 VAL 89 -4.181 -2.218 13.297 744 HG13 VAL 89 HG13 VAL 89 -2.785 -2.976 14.065 745 HG21 VAL 89 HG21 VAL 89 -2.598 -1.154 17.032 746 HG22 VAL 89 HG22 VAL 89 -4.296 -1.616 17.150 747 HG23 VAL 89 HG23 VAL 89 -3.096 -2.794 16.616 748 H ASP 90 H ASP 90 -3.411 0.883 12.742 749 HA ASP 90 HA ASP 90 -3.345 -0.745 10.585 750 HB2 ASP 90 HB2 ASP 90 -4.028 1.761 10.793 751 HB3 ASP 90 HB3 ASP 90 -2.382 2.079 10.251 752 H GLN 91 H GLN 91 -0.625 1.326 11.591 753 HA GLN 91 HA GLN 91 1.148 0.156 9.657 754 HB2 GLN 91 HB2 GLN 91 1.135 2.539 10.911 755 HB3 GLN 91 HB3 GLN 91 2.264 1.673 11.945 756 HG2 GLN 91 HG2 GLN 91 3.368 1.022 9.659 757 HG3 GLN 91 HG3 GLN 91 2.526 2.463 9.091 758 HE21 GLN 91 HE21 GLN 91 4.419 1.487 11.935 759 HE22 GLN 91 HE22 GLN 91 5.410 2.901 11.971 760 H LEU 92 H LEU 92 1.213 0.249 13.226 761 HA LEU 92 HA LEU 92 3.216 -1.374 13.878 762 HB2 LEU 92 HB2 LEU 92 1.840 -0.573 15.611 763 HB3 LEU 92 HB3 LEU 92 0.415 -1.380 14.960 764 HG LEU 92 HG LEU 92 1.486 -2.327 17.089 765 HD11 LEU 92 HD11 LEU 92 1.354 -4.574 15.238 766 HD12 LEU 92 HD12 LEU 92 0.005 -3.451 15.076 767 HD13 LEU 92 HD13 LEU 92 0.351 -4.194 16.638 768 HD21 LEU 92 HD21 LEU 92 3.775 -2.282 15.644 769 HD22 LEU 92 HD22 LEU 92 3.259 -3.951 15.398 770 HD23 LEU 92 HD23 LEU 92 3.497 -3.333 17.033 771 H SER 93 H SER 93 0.048 -2.597 12.814 772 HA SER 93 HA SER 93 0.726 -5.328 12.912 773 HB2 SER 93 HB2 SER 93 -1.532 -5.204 12.712 774 HB3 SER 93 HB3 SER 93 -1.467 -3.702 11.789 775 HG SER 93 HG SER 93 -2.225 -5.540 10.579 776 H HIS 94 H HIS 94 0.706 -3.027 10.200 777 HA HIS 94 HA HIS 94 1.720 -4.904 8.313 778 HB2 HIS 94 HB2 HIS 94 0.898 -2.118 8.325 779 HB3 HIS 94 HB3 HIS 94 2.349 -2.361 7.356 780 HD1 HIS 94 HD1 HIS 94 1.717 -5.084 6.103 781 HD2 HIS 94 HD2 HIS 94 -1.030 -1.982 6.414 782 HE1 HIS 94 HE1 HIS 94 0.006 -5.520 4.313 783 H ILE 95 H ILE 95 3.170 -3.561 10.928 784 HA ILE 95 HA ILE 95 5.794 -3.239 9.672 785 HB ILE 95 HB ILE 95 4.779 -2.583 12.431 786 HG12 ILE 95 HG12 ILE 95 4.250 -0.974 10.656 787 HG13 ILE 95 HG13 ILE 95 5.407 -0.294 11.795 788 HG21 ILE 95 HG21 ILE 95 7.599 -2.664 11.403 789 HG22 ILE 95 HG22 ILE 95 7.123 -1.642 12.758 790 HG23 ILE 95 HG23 ILE 95 6.939 -3.392 12.867 791 HD11 ILE 95 HD11 ILE 95 7.174 -1.129 10.090 792 HD12 ILE 95 HD12 ILE 95 5.811 -1.148 8.970 793 HD13 ILE 95 HD13 ILE 95 6.274 0.353 9.770 794 H CYS 96 H CYS 96 4.125 -5.171 12.114 795 HA CYS 96 HA CYS 96 6.467 -6.755 12.685 796 HB2 CYS 96 HB2 CYS 96 4.585 -6.200 14.327 797 HB3 CYS 96 HB3 CYS 96 3.635 -7.414 13.479 798 HG CYS 96 HG CYS 96 6.535 -8.727 14.241 799 H LEU 97 H LEU 97 4.501 -6.645 10.096 800 HA LEU 97 HA LEU 97 4.109 -8.038 8.342 801 HB2 LEU 97 HB2 LEU 97 6.481 -9.042 9.598 802 HB3 LEU 97 HB3 LEU 97 5.520 -10.388 8.987 803 HG LEU 97 HG LEU 97 7.188 -9.699 7.360 804 HD11 LEU 97 HD11 LEU 97 5.715 -9.364 5.441 805 HD12 LEU 97 HD12 LEU 97 4.388 -8.952 6.527 806 HD13 LEU 97 HD13 LEU 97 5.068 -10.579 6.544 807 HD21 LEU 97 HD21 LEU 97 5.818 -7.015 7.489 808 HD22 LEU 97 HD22 LEU 97 7.018 -7.482 6.283 809 HD23 LEU 97 HD23 LEU 97 7.470 -7.384 7.986 810 H HIS 98 H HIS 98 3.682 -10.668 8.022 811 HA HIS 98 HA HIS 98 1.166 -11.115 9.086 812 HB2 HIS 98 HB2 HIS 98 3.216 -12.946 7.875 813 HB3 HIS 98 HB3 HIS 98 1.700 -13.590 8.496 814 HD1 HIS 98 HD1 HIS 98 0.459 -14.149 6.408 815 HD2 HIS 98 HD2 HIS 98 2.091 -10.330 6.295 816 HE1 HIS 98 HE1 HIS 98 -0.428 -13.101 4.302 817 H ASP 99 H ASP 99 4.266 -11.662 10.495 818 HA ASP 99 HA ASP 99 3.549 -13.619 12.407 819 HB2 ASP 99 HB2 ASP 99 5.738 -11.532 12.486 820 HB3 ASP 99 HB3 ASP 99 5.606 -12.897 13.592 821 H TYR 100 H TYR 100 2.514 -10.480 12.077 822 HA TYR 100 HA TYR 100 2.452 -9.618 14.780 823 HB2 TYR 100 HB2 TYR 100 1.289 -7.773 14.014 824 HB3 TYR 100 HB3 TYR 100 2.109 -8.285 12.544 825 HD1 TYR 100 HD1 TYR 100 0.662 -10.179 11.215 826 HD2 TYR 100 HD2 TYR 100 -0.907 -7.148 13.756 827 HE1 TYR 100 HE1 TYR 100 -1.503 -10.340 10.059 828 HE2 TYR 100 HE2 TYR 100 -3.077 -7.301 12.608 829 HH TYR 100 HH TYR 100 -4.240 -9.440 11.149 830 H ARG 101 H ARG 101 0.461 -11.728 12.891 831 HA ARG 101 HA ARG 101 -0.967 -12.620 15.186 832 HB2 ARG 101 HB2 ARG 101 -2.287 -10.639 14.879 833 HB3 ARG 101 HB3 ARG 101 -2.440 -10.944 13.154 834 HG2 ARG 101 HG2 ARG 101 -4.209 -12.259 13.444 835 HG3 ARG 101 HG3 ARG 101 -3.429 -13.153 14.751 836 HD2 ARG 101 HD2 ARG 101 -4.511 -11.992 16.323 837 HD3 ARG 101 HD3 ARG 101 -4.170 -10.453 15.531 838 HE ARG 101 HE ARG 101 -6.248 -10.527 14.565 839 HH11 ARG 101 HH11 ARG 101 -5.468 -13.663 15.859 840 HH12 ARG 101 HH12 ARG 101 -7.055 -14.309 15.601 841 HH21 ARG 101 HH21 ARG 101 -8.341 -11.365 14.220 842 HH22 ARG 101 HH22 ARG 101 -8.688 -13.001 14.668 843 H GLU 102 H GLU 102 -1.654 -14.664 14.883 844 HA GLU 102 HA GLU 102 -1.876 -16.701 13.887 845 HB2 GLU 102 HB2 GLU 102 -3.087 -14.938 11.755 846 HB3 GLU 102 HB3 GLU 102 -3.158 -16.694 11.721 847 HG2 GLU 102 HG2 GLU 102 -4.379 -16.690 13.834 848 HG3 GLU 102 HG3 GLU 102 -4.306 -14.929 13.872 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.216 12.690 24.184 2 HA2 GLY 1 HA2 GLY 1 2.530 14.236 22.379 3 HA3 GLY 1 HA3 GLY 1 1.583 15.415 23.275 4 H ALA 2 H ALA 2 4.706 13.861 22.983 5 HA ALA 2 HA ALA 2 5.935 16.187 24.245 6 HB1 ALA 2 HB1 ALA 2 5.765 14.753 26.127 7 HB2 ALA 2 HB2 ALA 2 6.330 13.361 25.202 8 HB3 ALA 2 HB3 ALA 2 7.440 14.678 25.581 9 H MET 3 H MET 3 7.199 12.975 23.396 10 HA MET 3 HA MET 3 9.006 14.293 21.486 11 HB2 MET 3 HB2 MET 3 9.276 11.729 23.051 12 HB3 MET 3 HB3 MET 3 10.363 12.166 21.740 13 HG2 MET 3 HG2 MET 3 11.366 13.830 22.934 14 HG3 MET 3 HG3 MET 3 9.943 14.125 23.929 15 HE1 MET 3 HE1 MET 3 9.749 11.276 26.275 16 HE2 MET 3 HE2 MET 3 10.141 12.910 26.811 17 HE3 MET 3 HE3 MET 3 9.014 12.666 25.476 18 H ALA 4 H ALA 4 6.572 13.957 20.451 19 HA ALA 4 HA ALA 4 6.448 11.404 19.055 20 HB1 ALA 4 HB1 ALA 4 4.255 11.778 18.854 21 HB2 ALA 4 HB2 ALA 4 4.506 13.093 20.003 22 HB3 ALA 4 HB3 ALA 4 4.499 13.425 18.272 23 H MET 5 H MET 5 5.350 12.103 16.647 24 HA MET 5 HA MET 5 5.861 12.732 14.522 25 HB2 MET 5 HB2 MET 5 6.096 15.011 15.919 26 HB3 MET 5 HB3 MET 5 7.762 14.845 15.380 27 HG2 MET 5 HG2 MET 5 5.492 14.637 13.444 28 HG3 MET 5 HG3 MET 5 6.120 16.204 13.949 29 HE1 MET 5 HE1 MET 5 9.089 16.906 12.251 30 HE2 MET 5 HE2 MET 5 8.223 17.013 13.783 31 HE3 MET 5 HE3 MET 5 9.620 15.946 13.632 32 H ALA 6 H ALA 6 7.114 10.582 14.979 33 HA ALA 6 HA ALA 6 9.771 10.961 13.848 34 HB1 ALA 6 HB1 ALA 6 10.065 10.890 16.319 35 HB2 ALA 6 HB2 ALA 6 9.388 9.261 16.306 36 HB3 ALA 6 HB3 ALA 6 10.899 9.594 15.459 37 H LYS 7 H LYS 7 9.189 9.975 11.960 38 HA LYS 7 HA LYS 7 7.572 7.754 11.621 39 HB2 LYS 7 HB2 LYS 7 8.244 9.099 9.735 40 HB3 LYS 7 HB3 LYS 7 9.935 8.687 9.985 41 HG2 LYS 7 HG2 LYS 7 9.730 6.653 9.009 42 HG3 LYS 7 HG3 LYS 7 8.059 6.443 9.539 43 HD2 LYS 7 HD2 LYS 7 8.909 8.378 7.389 44 HD3 LYS 7 HD3 LYS 7 8.349 6.736 7.067 45 HE2 LYS 7 HE2 LYS 7 6.270 7.521 7.054 46 HE3 LYS 7 HE3 LYS 7 6.441 7.854 8.777 47 HZ1 LYS 7 HZ1 LYS 7 6.637 9.685 6.502 48 HZ2 LYS 7 HZ2 LYS 7 7.593 10.006 7.860 49 HZ3 LYS 7 HZ3 LYS 7 5.910 9.915 8.012 50 H ALA 8 H ALA 8 11.064 7.499 11.049 51 HA ALA 8 HA ALA 8 12.413 5.637 11.213 52 HB1 ALA 8 HB1 ALA 8 11.442 5.563 14.051 53 HB2 ALA 8 HB2 ALA 8 13.060 5.243 13.425 54 HB3 ALA 8 HB3 ALA 8 12.431 6.891 13.443 55 H ARG 9 H ARG 9 11.012 4.308 9.847 56 HA ARG 9 HA ARG 9 9.004 2.625 10.842 57 HB2 ARG 9 HB2 ARG 9 9.547 1.226 8.787 58 HB3 ARG 9 HB3 ARG 9 9.106 2.904 8.500 59 HG2 ARG 9 HG2 ARG 9 11.200 3.485 7.811 60 HG3 ARG 9 HG3 ARG 9 11.986 2.244 8.788 61 HD2 ARG 9 HD2 ARG 9 10.231 1.463 6.497 62 HD3 ARG 9 HD3 ARG 9 11.887 1.989 6.199 63 HE ARG 9 HE ARG 9 11.997 0.059 8.187 64 HH11 ARG 9 HH11 ARG 9 11.036 0.281 4.849 65 HH12 ARG 9 HH12 ARG 9 11.426 -1.369 4.491 66 HH21 ARG 9 HH21 ARG 9 12.514 -2.115 7.729 67 HH22 ARG 9 HH22 ARG 9 12.265 -2.731 6.131 68 H LYS 10 H LYS 10 9.569 1.578 12.716 69 HA LYS 10 HA LYS 10 11.505 -0.604 12.400 70 HB2 LYS 10 HB2 LYS 10 11.438 1.471 14.565 71 HB3 LYS 10 HB3 LYS 10 12.038 -0.145 14.915 72 HG2 LYS 10 HG2 LYS 10 13.151 1.186 12.525 73 HG3 LYS 10 HG3 LYS 10 13.605 1.854 14.094 74 HD2 LYS 10 HD2 LYS 10 14.077 -0.639 14.703 75 HD3 LYS 10 HD3 LYS 10 14.151 -0.855 12.953 76 HE2 LYS 10 HE2 LYS 10 15.658 1.458 13.880 77 HE3 LYS 10 HE3 LYS 10 16.225 -0.056 14.582 78 HZ1 LYS 10 HZ1 LYS 10 16.022 0.646 11.711 79 HZ2 LYS 10 HZ2 LYS 10 16.264 -0.939 12.249 80 HZ3 LYS 10 HZ3 LYS 10 17.415 0.254 12.588 81 HA PRO 11 HA PRO 11 8.204 -3.037 14.013 82 HB2 PRO 11 HB2 PRO 11 9.635 -5.218 14.764 83 HB3 PRO 11 HB3 PRO 11 9.279 -4.838 13.075 84 HG2 PRO 11 HG2 PRO 11 11.777 -4.331 14.646 85 HG3 PRO 11 HG3 PRO 11 11.601 -4.936 12.988 86 HD2 PRO 11 HD2 PRO 11 12.218 -2.358 13.539 87 HD3 PRO 11 HD3 PRO 11 11.261 -2.828 12.120 88 H ARG 12 H ARG 12 11.161 -3.314 16.001 89 HA ARG 12 HA ARG 12 9.932 -3.906 18.410 90 HB2 ARG 12 HB2 ARG 12 12.018 -2.820 19.435 91 HB3 ARG 12 HB3 ARG 12 12.260 -4.177 18.343 92 HG2 ARG 12 HG2 ARG 12 12.282 -1.807 16.791 93 HG3 ARG 12 HG3 ARG 12 13.332 -1.557 18.188 94 HD2 ARG 12 HD2 ARG 12 13.829 -4.165 17.222 95 HD3 ARG 12 HD3 ARG 12 13.811 -3.089 15.826 96 HE ARG 12 HE ARG 12 15.361 -1.834 17.727 97 HH11 ARG 12 HH11 ARG 12 15.423 -4.851 15.991 98 HH12 ARG 12 HH12 ARG 12 17.151 -4.978 16.013 99 HH21 ARG 12 HH21 ARG 12 17.636 -1.990 17.763 100 HH22 ARG 12 HH22 ARG 12 18.409 -3.351 17.022 101 H GLU 13 H GLU 13 10.792 -0.722 17.089 102 HA GLU 13 HA GLU 13 9.746 0.720 19.319 103 HB2 GLU 13 HB2 GLU 13 10.598 1.527 16.545 104 HB3 GLU 13 HB3 GLU 13 9.916 2.683 17.680 105 HG2 GLU 13 HG2 GLU 13 11.886 1.405 19.138 106 HG3 GLU 13 HG3 GLU 13 12.587 1.583 17.531 107 H ALA 14 H ALA 14 8.354 -0.741 16.568 108 HA ALA 14 HA ALA 14 6.087 0.963 16.275 109 HB1 ALA 14 HB1 ALA 14 6.073 -0.208 14.382 110 HB2 ALA 14 HB2 ALA 14 7.081 -1.480 15.074 111 HB3 ALA 14 HB3 ALA 14 5.333 -1.517 15.306 112 H LEU 15 H LEU 15 6.795 -1.903 18.179 113 HA LEU 15 HA LEU 15 4.083 -2.278 19.045 114 HB2 LEU 15 HB2 LEU 15 4.849 -4.106 20.231 115 HB3 LEU 15 HB3 LEU 15 5.971 -4.021 18.874 116 HG LEU 15 HG LEU 15 7.376 -2.614 20.655 117 HD11 LEU 15 HD11 LEU 15 6.309 -2.642 22.631 118 HD12 LEU 15 HD12 LEU 15 6.994 -4.261 22.767 119 HD13 LEU 15 HD13 LEU 15 5.335 -4.050 22.206 120 HD21 LEU 15 HD21 LEU 15 7.398 -5.596 20.897 121 HD22 LEU 15 HD22 LEU 15 8.752 -4.468 20.850 122 HD23 LEU 15 HD23 LEU 15 7.843 -4.818 19.379 123 H LEU 16 H LEU 16 6.962 -0.704 20.302 124 HA LEU 16 HA LEU 16 5.964 -0.223 22.912 125 HB2 LEU 16 HB2 LEU 16 8.010 1.425 21.447 126 HB3 LEU 16 HB3 LEU 16 7.821 1.245 23.190 127 HG LEU 16 HG LEU 16 8.507 -1.126 21.494 128 HD11 LEU 16 HD11 LEU 16 10.790 0.179 22.733 129 HD12 LEU 16 HD12 LEU 16 10.059 1.147 21.453 130 HD13 LEU 16 HD13 LEU 16 10.609 -0.494 21.112 131 HD21 LEU 16 HD21 LEU 16 8.151 -1.907 23.597 132 HD22 LEU 16 HD22 LEU 16 8.558 -0.369 24.360 133 HD23 LEU 16 HD23 LEU 16 9.840 -1.432 23.777 134 H TRP 17 H TRP 17 5.933 1.647 19.916 135 HA TRP 17 HA TRP 17 4.736 3.959 21.102 136 HB2 TRP 17 HB2 TRP 17 5.790 3.213 18.532 137 HB3 TRP 17 HB3 TRP 17 4.204 3.951 18.327 138 HD1 TRP 17 HD1 TRP 17 7.671 4.923 18.385 139 HE1 TRP 17 HE1 TRP 17 7.964 7.414 18.965 140 HE3 TRP 17 HE3 TRP 17 3.004 5.879 20.241 141 HZ2 TRP 17 HZ2 TRP 17 6.421 9.506 20.065 142 HZ3 TRP 17 HZ3 TRP 17 2.494 8.150 21.037 143 HH2 TRP 17 HH2 TRP 17 4.169 9.925 20.951 144 H ALA 18 H ALA 18 3.557 1.071 19.509 145 HA ALA 18 HA ALA 18 0.869 1.997 19.195 146 HB1 ALA 18 HB1 ALA 18 2.324 -0.537 18.767 147 HB2 ALA 18 HB2 ALA 18 0.590 -0.666 19.066 148 HB3 ALA 18 HB3 ALA 18 1.183 0.310 17.722 149 H LEU 19 H LEU 19 2.212 -0.565 21.290 150 HA LEU 19 HA LEU 19 -0.012 -0.943 22.887 151 HB2 LEU 19 HB2 LEU 19 1.379 -2.076 24.391 152 HB3 LEU 19 HB3 LEU 19 2.131 -2.289 22.812 153 HG LEU 19 HG LEU 19 3.589 -0.251 23.541 154 HD11 LEU 19 HD11 LEU 19 3.032 0.546 25.550 155 HD12 LEU 19 HD12 LEU 19 3.853 -0.875 26.195 156 HD13 LEU 19 HD13 LEU 19 2.105 -0.895 25.967 157 HD21 LEU 19 HD21 LEU 19 5.265 -1.725 24.074 158 HD22 LEU 19 HD22 LEU 19 4.117 -2.804 23.281 159 HD23 LEU 19 HD23 LEU 19 4.207 -2.751 25.042 160 H SER 20 H SER 20 2.283 1.648 22.902 161 HA SER 20 HA SER 20 1.399 2.623 25.501 162 HB2 SER 20 HB2 SER 20 3.770 2.808 25.038 163 HB3 SER 20 HB3 SER 20 3.448 3.686 23.542 164 HG SER 20 HG SER 20 2.633 4.618 26.090 165 H ASP 21 H ASP 21 0.668 3.025 22.191 166 HA ASP 21 HA ASP 21 -0.283 5.705 22.271 167 HB2 ASP 21 HB2 ASP 21 -0.020 3.633 20.322 168 HB3 ASP 21 HB3 ASP 21 -1.675 4.234 20.272 169 H LEU 22 H LEU 22 -1.435 2.918 23.688 170 HA LEU 22 HA LEU 22 -4.214 3.888 23.668 171 HB2 LEU 22 HB2 LEU 22 -4.460 1.459 24.748 172 HB3 LEU 22 HB3 LEU 22 -4.516 1.754 23.011 173 HG LEU 22 HG LEU 22 -1.832 1.217 24.075 174 HD11 LEU 22 HD11 LEU 22 -3.666 -1.133 23.857 175 HD12 LEU 22 HD12 LEU 22 -3.495 -0.272 25.386 176 HD13 LEU 22 HD13 LEU 22 -2.085 -1.013 24.629 177 HD21 LEU 22 HD21 LEU 22 -3.430 0.041 21.803 178 HD22 LEU 22 HD22 LEU 22 -1.699 -0.155 22.077 179 HD23 LEU 22 HD23 LEU 22 -2.356 1.434 21.684 180 H GLU 23 H GLU 23 -5.417 3.725 25.683 181 HA GLU 23 HA GLU 23 -3.998 4.851 27.858 182 HB2 GLU 23 HB2 GLU 23 -6.801 3.764 27.611 183 HB3 GLU 23 HB3 GLU 23 -6.189 4.496 29.088 184 HG2 GLU 23 HG2 GLU 23 -5.957 6.604 28.072 185 HG3 GLU 23 HG3 GLU 23 -6.152 5.931 26.454 186 H GLU 24 H GLU 24 -3.580 4.007 29.923 187 HA GLU 24 HA GLU 24 -2.520 1.435 30.019 188 HB2 GLU 24 HB2 GLU 24 -2.594 1.779 32.542 189 HB3 GLU 24 HB3 GLU 24 -1.718 2.981 31.606 190 HG2 GLU 24 HG2 GLU 24 -4.451 3.778 31.864 191 HG3 GLU 24 HG3 GLU 24 -3.789 3.395 33.452 192 H ASN 25 H ASN 25 -5.716 2.615 30.879 193 HA ASN 25 HA ASN 25 -6.577 0.177 32.099 194 HB2 ASN 25 HB2 ASN 25 -8.233 2.457 30.995 195 HB3 ASN 25 HB3 ASN 25 -8.805 1.191 32.078 196 HD21 ASN 25 HD21 ASN 25 -8.503 4.200 32.257 197 HD22 ASN 25 HD22 ASN 25 -7.700 4.448 33.767 198 H ASP 26 H ASP 26 -5.696 0.661 29.055 199 HA ASP 26 HA ASP 26 -7.844 -0.998 27.910 200 HB2 ASP 26 HB2 ASP 26 -5.870 0.815 26.505 201 HB3 ASP 26 HB3 ASP 26 -7.087 -0.176 25.705 202 H PHE 27 H PHE 27 -4.326 -0.464 27.672 203 HA PHE 27 HA PHE 27 -3.767 -2.896 26.367 204 HB2 PHE 27 HB2 PHE 27 -1.702 -2.033 26.268 205 HB3 PHE 27 HB3 PHE 27 -2.312 -0.650 27.170 206 HD1 PHE 27 HD1 PHE 27 -1.897 -0.431 29.546 207 HD2 PHE 27 HD2 PHE 27 -0.398 -3.752 27.345 208 HE1 PHE 27 HE1 PHE 27 -0.379 -0.975 31.405 209 HE2 PHE 27 HE2 PHE 27 1.120 -4.301 29.201 210 HZ PHE 27 HZ PHE 27 1.131 -2.913 31.235 211 H LYS 28 H LYS 28 -3.846 -2.001 29.779 212 HA LYS 28 HA LYS 28 -2.764 -4.357 30.841 213 HB2 LYS 28 HB2 LYS 28 -2.984 -2.459 32.266 214 HB3 LYS 28 HB3 LYS 28 -4.714 -2.350 31.967 215 HG2 LYS 28 HG2 LYS 28 -5.042 -4.469 33.158 216 HG3 LYS 28 HG3 LYS 28 -3.309 -4.542 33.483 217 HD2 LYS 28 HD2 LYS 28 -3.610 -3.302 35.302 218 HD3 LYS 28 HD3 LYS 28 -4.222 -1.987 34.295 219 HE2 LYS 28 HE2 LYS 28 -6.332 -3.795 34.468 220 HE3 LYS 28 HE3 LYS 28 -5.641 -3.757 36.089 221 HZ1 LYS 28 HZ1 LYS 28 -6.475 -1.367 34.537 222 HZ2 LYS 28 HZ2 LYS 28 -5.876 -1.369 36.118 223 HZ3 LYS 28 HZ3 LYS 28 -7.373 -2.081 35.780 224 H LYS 29 H LYS 29 -6.122 -3.475 30.120 225 HA LYS 29 HA LYS 29 -7.404 -5.711 31.143 226 HB2 LYS 29 HB2 LYS 29 -8.037 -3.568 29.305 227 HB3 LYS 29 HB3 LYS 29 -8.773 -5.077 28.781 228 HG2 LYS 29 HG2 LYS 29 -10.346 -3.955 30.154 229 HG3 LYS 29 HG3 LYS 29 -9.719 -5.318 31.083 230 HD2 LYS 29 HD2 LYS 29 -8.473 -3.951 32.486 231 HD3 LYS 29 HD3 LYS 29 -8.461 -2.613 31.336 232 HE2 LYS 29 HE2 LYS 29 -10.018 -1.799 32.773 233 HE3 LYS 29 HE3 LYS 29 -11.089 -2.765 31.759 234 HZ1 LYS 29 HZ1 LYS 29 -10.470 -3.066 34.519 235 HZ2 LYS 29 HZ2 LYS 29 -10.156 -4.496 33.673 236 HZ3 LYS 29 HZ3 LYS 29 -11.696 -3.797 33.610 237 H LEU 30 H LEU 30 -5.706 -5.290 28.093 238 HA LEU 30 HA LEU 30 -6.532 -7.792 26.986 239 HB2 LEU 30 HB2 LEU 30 -4.008 -6.566 26.068 240 HB3 LEU 30 HB3 LEU 30 -5.368 -7.192 25.138 241 HG LEU 30 HG LEU 30 -5.251 -4.511 26.519 242 HD11 LEU 30 HD11 LEU 30 -5.566 -4.732 23.600 243 HD12 LEU 30 HD12 LEU 30 -3.981 -5.168 24.239 244 HD13 LEU 30 HD13 LEU 30 -4.653 -3.570 24.563 245 HD21 LEU 30 HD21 LEU 30 -7.456 -6.096 25.527 246 HD22 LEU 30 HD22 LEU 30 -7.332 -4.555 24.679 247 HD23 LEU 30 HD23 LEU 30 -7.473 -4.585 26.438 248 H LYS 31 H LYS 31 -3.430 -6.638 28.312 249 HA LYS 31 HA LYS 31 -2.072 -9.071 28.202 250 HB2 LYS 31 HB2 LYS 31 -1.721 -6.870 30.245 251 HB3 LYS 31 HB3 LYS 31 -0.541 -8.113 29.847 252 HG2 LYS 31 HG2 LYS 31 -1.555 -6.015 27.939 253 HG3 LYS 31 HG3 LYS 31 -0.025 -5.944 28.818 254 HD2 LYS 31 HD2 LYS 31 0.805 -7.869 27.669 255 HD3 LYS 31 HD3 LYS 31 -0.773 -8.184 26.944 256 HE2 LYS 31 HE2 LYS 31 0.750 -7.160 25.335 257 HE3 LYS 31 HE3 LYS 31 -0.616 -6.101 25.682 258 HZ1 LYS 31 HZ1 LYS 31 2.165 -5.635 26.066 259 HZ2 LYS 31 HZ2 LYS 31 1.310 -5.405 27.507 260 HZ3 LYS 31 HZ3 LYS 31 0.878 -4.539 26.120 261 H PHE 32 H PHE 32 -4.464 -7.914 30.432 262 HA PHE 32 HA PHE 32 -3.911 -9.702 32.564 263 HB2 PHE 32 HB2 PHE 32 -5.256 -7.650 32.843 264 HB3 PHE 32 HB3 PHE 32 -6.519 -8.350 31.836 265 HD1 PHE 32 HD2 PHE 32 -4.518 -9.293 34.845 266 HD2 PHE 32 HD1 PHE 32 -8.319 -9.237 32.932 267 HE1 PHE 32 HE2 PHE 32 -5.532 -10.316 36.839 268 HE2 PHE 32 HE1 PHE 32 -9.341 -10.259 34.924 269 HZ PHE 32 HZ PHE 32 -7.947 -10.802 36.880 270 H TYR 33 H TYR 33 -6.130 -9.831 29.806 271 HA TYR 33 HA TYR 33 -6.892 -12.561 30.527 272 HB2 TYR 33 HB2 TYR 33 -8.169 -10.381 29.127 273 HB3 TYR 33 HB3 TYR 33 -8.176 -11.836 28.137 274 HD1 TYR 33 HD2 TYR 33 -8.505 -11.360 31.827 275 HD2 TYR 33 HD1 TYR 33 -10.306 -12.739 28.227 276 HE1 TYR 33 HE2 TYR 33 -10.412 -12.223 33.118 277 HE2 TYR 33 HE1 TYR 33 -12.218 -13.604 29.509 278 HH TYR 33 HH TYR 33 -12.836 -12.757 32.686 279 H LEU 34 H LEU 34 -5.789 -10.806 27.624 280 HA LEU 34 HA LEU 34 -5.284 -12.996 26.007 281 HB2 LEU 34 HB2 LEU 34 -4.080 -10.260 26.163 282 HB3 LEU 34 HB3 LEU 34 -3.471 -11.441 25.006 283 HG LEU 34 HG LEU 34 -5.036 -9.940 23.932 284 HD11 LEU 34 HD11 LEU 34 -4.963 -12.276 23.196 285 HD12 LEU 34 HD12 LEU 34 -6.567 -11.573 22.991 286 HD13 LEU 34 HD13 LEU 34 -6.251 -12.670 24.334 287 HD21 LEU 34 HD21 LEU 34 -7.246 -10.963 25.674 288 HD22 LEU 34 HD22 LEU 34 -7.206 -9.532 24.644 289 HD23 LEU 34 HD23 LEU 34 -6.296 -9.557 26.155 290 H ARG 35 H ARG 35 -2.868 -11.215 27.940 291 HA ARG 35 HA ARG 35 -0.771 -13.026 27.529 292 HB2 ARG 35 HB2 ARG 35 -1.086 -10.601 28.831 293 HB3 ARG 35 HB3 ARG 35 -0.693 -11.715 30.134 294 HG2 ARG 35 HG2 ARG 35 1.082 -12.269 28.014 295 HG3 ARG 35 HG3 ARG 35 1.034 -10.516 28.215 296 HD2 ARG 35 HD2 ARG 35 1.210 -12.129 30.686 297 HD3 ARG 35 HD3 ARG 35 2.634 -12.126 29.647 298 HE ARG 35 HE ARG 35 1.542 -9.516 30.241 299 HH11 ARG 35 HH11 ARG 35 3.804 -12.000 31.152 300 HH12 ARG 35 HH12 ARG 35 4.828 -10.923 32.042 301 HH21 ARG 35 HH21 ARG 35 2.882 -8.088 31.410 302 HH22 ARG 35 HH22 ARG 35 4.302 -8.698 32.189 303 H ASP 36 H ASP 36 -3.273 -12.885 30.010 304 HA ASP 36 HA ASP 36 -2.332 -14.748 31.814 305 HB2 ASP 36 HB2 ASP 36 -4.268 -13.787 32.573 306 HB3 ASP 36 HB3 ASP 36 -5.036 -13.828 30.988 307 H MET 37 H MET 37 -4.344 -15.363 28.939 308 HA MET 37 HA MET 37 -3.975 -18.228 29.246 309 HB2 MET 37 HB2 MET 37 -5.962 -16.589 28.111 310 HB3 MET 37 HB3 MET 37 -5.243 -17.471 26.770 311 HG2 MET 37 HG2 MET 37 -6.059 -19.456 27.455 312 HG3 MET 37 HG3 MET 37 -5.890 -19.060 29.164 313 HE1 MET 37 HE1 MET 37 -9.258 -18.915 26.364 314 HE2 MET 37 HE2 MET 37 -8.655 -17.260 26.283 315 HE3 MET 37 HE3 MET 37 -7.567 -18.612 25.967 316 H THR 38 H THR 38 -3.620 -16.024 26.462 317 HA THR 38 HA THR 38 -2.129 -17.601 24.814 318 HB THR 38 HB THR 38 -1.351 -15.655 23.698 319 HG1 THR 38 HG1 THR 38 -0.418 -14.353 25.153 320 HG21 THR 38 HG21 THR 38 -3.417 -15.072 23.102 321 HG22 THR 38 HG22 THR 38 -3.635 -14.182 24.609 322 HG23 THR 38 HG23 THR 38 -4.032 -15.899 24.532 323 H LEU 39 H LEU 39 -0.899 -15.557 27.440 324 HA LEU 39 HA LEU 39 1.719 -16.872 27.147 325 HB2 LEU 39 HB2 LEU 39 0.887 -14.143 27.958 326 HB3 LEU 39 HB3 LEU 39 2.301 -14.830 28.753 327 HG LEU 39 HG LEU 39 2.782 -15.271 26.063 328 HD11 LEU 39 HD11 LEU 39 0.846 -13.225 26.233 329 HD12 LEU 39 HD12 LEU 39 1.755 -13.755 24.818 330 HD13 LEU 39 HD13 LEU 39 2.384 -12.458 25.835 331 HD21 LEU 39 HD21 LEU 39 4.540 -13.662 26.344 332 HD22 LEU 39 HD22 LEU 39 4.353 -14.557 27.853 333 HD23 LEU 39 HD23 LEU 39 3.706 -12.921 27.711 334 H SER 40 H SER 40 2.924 -16.708 29.422 335 HA SER 40 HA SER 40 1.166 -18.109 31.309 336 HB2 SER 40 HB2 SER 40 3.915 -18.476 30.448 337 HB3 SER 40 HB3 SER 40 3.797 -18.382 32.205 338 HG SER 40 HG SER 40 1.922 -19.938 31.774 339 H GLU 41 H GLU 41 1.830 -17.826 33.669 340 HA GLU 41 HA GLU 41 1.392 -15.175 34.438 341 HB2 GLU 41 HB2 GLU 41 1.553 -17.674 35.711 342 HB3 GLU 41 HB3 GLU 41 2.741 -16.658 36.515 343 HG2 GLU 41 HG2 GLU 41 0.789 -16.360 37.745 344 HG3 GLU 41 HG3 GLU 41 0.884 -14.930 36.719 345 H GLY 42 H GLY 42 3.060 -14.387 36.367 346 HA2 GLY 42 HA2 GLY 42 5.361 -13.935 36.861 347 HA3 GLY 42 HA3 GLY 42 5.759 -14.337 35.198 348 H GLN 43 H GLN 43 3.112 -12.242 36.180 349 HA GLN 43 HA GLN 43 4.553 -9.981 34.958 350 HB2 GLN 43 HB2 GLN 43 2.425 -9.116 34.185 351 HB3 GLN 43 HB3 GLN 43 2.635 -10.765 33.610 352 HG2 GLN 43 HG2 GLN 43 0.821 -11.481 34.677 353 HG3 GLN 43 HG3 GLN 43 1.254 -10.635 36.162 354 HE21 GLN 43 HE21 GLN 43 -0.967 -10.121 36.412 355 HE22 GLN 43 HE22 GLN 43 -1.680 -8.827 35.516 356 HA PRO 44 HA PRO 44 4.086 -7.701 38.678 357 HB2 PRO 44 HB2 PRO 44 3.802 -5.177 37.720 358 HB3 PRO 44 HB3 PRO 44 5.338 -6.051 37.684 359 HG2 PRO 44 HG2 PRO 44 3.328 -5.661 35.499 360 HG3 PRO 44 HG3 PRO 44 5.097 -5.560 35.423 361 HD2 PRO 44 HD2 PRO 44 3.726 -7.743 34.595 362 HD3 PRO 44 HD3 PRO 44 5.349 -7.848 35.308 363 HA PRO 45 HA PRO 45 -0.119 -6.906 39.684 364 HB2 PRO 45 HB2 PRO 45 0.046 -4.773 41.356 365 HB3 PRO 45 HB3 PRO 45 0.572 -6.397 41.816 366 HG2 PRO 45 HG2 PRO 45 2.206 -4.073 40.871 367 HG3 PRO 45 HG3 PRO 45 2.539 -5.213 42.188 368 HD2 PRO 45 HD2 PRO 45 3.701 -5.423 39.752 369 HD3 PRO 45 HD3 PRO 45 3.319 -6.839 40.753 370 H LEU 46 H LEU 46 -1.912 -5.656 39.169 371 HA LEU 46 HA LEU 46 -1.841 -4.080 36.907 372 HB2 LEU 46 HB2 LEU 46 -3.887 -3.773 39.091 373 HB3 LEU 46 HB3 LEU 46 -4.099 -3.488 37.365 374 HG LEU 46 HG LEU 46 -3.724 -6.167 38.701 375 HD11 LEU 46 HD11 LEU 46 -5.973 -4.730 38.713 376 HD12 LEU 46 HD12 LEU 46 -5.960 -6.487 38.565 377 HD13 LEU 46 HD13 LEU 46 -6.131 -5.482 37.126 378 HD21 LEU 46 HD21 LEU 46 -4.073 -5.427 35.800 379 HD22 LEU 46 HD22 LEU 46 -4.215 -7.064 36.439 380 HD23 LEU 46 HD23 LEU 46 -2.676 -6.209 36.540 381 H ALA 47 H ALA 47 -1.156 -2.090 36.500 382 HA ALA 47 HA ALA 47 -1.482 0.043 38.414 383 HB1 ALA 47 HB1 ALA 47 0.854 -1.368 38.621 384 HB2 ALA 47 HB2 ALA 47 1.309 -0.035 37.559 385 HB3 ALA 47 HB3 ALA 47 0.615 0.299 39.146 386 H ARG 48 H ARG 48 -1.837 1.912 37.382 387 HA ARG 48 HA ARG 48 -1.878 1.981 34.535 388 HB2 ARG 48 HB2 ARG 48 -2.524 4.388 34.883 389 HB3 ARG 48 HB3 ARG 48 -3.554 3.218 35.697 390 HG2 ARG 48 HG2 ARG 48 -2.618 3.715 37.806 391 HG3 ARG 48 HG3 ARG 48 -1.288 4.620 37.081 392 HD2 ARG 48 HD2 ARG 48 -2.847 6.196 37.968 393 HD3 ARG 48 HD3 ARG 48 -2.971 6.245 36.210 394 HE ARG 48 HE ARG 48 -4.874 4.437 37.131 395 HH11 ARG 48 HH11 ARG 48 -4.186 7.843 37.352 396 HH12 ARG 48 HH12 ARG 48 -5.848 8.300 37.525 397 HH21 ARG 48 HH21 ARG 48 -7.066 5.027 37.358 398 HH22 ARG 48 HH22 ARG 48 -7.485 6.698 37.529 399 H GLY 49 H GLY 49 0.401 2.957 36.964 400 HA2 GLY 49 HA2 GLY 49 1.887 4.749 35.285 401 HA3 GLY 49 HA3 GLY 49 2.396 4.115 36.843 402 H GLU 50 H GLU 50 1.523 1.485 35.111 403 HA GLU 50 HA GLU 50 4.274 0.777 34.593 404 HB2 GLU 50 HB2 GLU 50 1.656 -0.682 34.490 405 HB3 GLU 50 HB3 GLU 50 3.082 -1.382 33.737 406 HG2 GLU 50 HG2 GLU 50 3.390 -0.426 36.512 407 HG3 GLU 50 HG3 GLU 50 2.377 -1.848 36.269 408 H LEU 51 H LEU 51 1.767 2.212 32.846 409 HA LEU 51 HA LEU 51 3.052 1.500 30.291 410 HB2 LEU 51 HB2 LEU 51 0.800 0.677 30.343 411 HB3 LEU 51 HB3 LEU 51 0.194 2.241 30.885 412 HG LEU 51 HG LEU 51 1.371 2.890 28.507 413 HD11 LEU 51 HD11 LEU 51 0.012 0.937 27.164 414 HD12 LEU 51 HD12 LEU 51 0.768 0.033 28.476 415 HD13 LEU 51 HD13 LEU 51 1.761 0.998 27.384 416 HD21 LEU 51 HD21 LEU 51 -0.707 3.573 27.987 417 HD22 LEU 51 HD22 LEU 51 -1.079 3.086 29.641 418 HD23 LEU 51 HD23 LEU 51 -1.420 1.990 28.301 419 H GLU 52 H GLU 52 1.021 4.109 31.641 420 HA GLU 52 HA GLU 52 2.151 6.074 29.904 421 HB2 GLU 52 HB2 GLU 52 -0.116 6.356 30.667 422 HB3 GLU 52 HB3 GLU 52 0.393 6.311 32.348 423 HG2 GLU 52 HG2 GLU 52 1.430 8.425 32.193 424 HG3 GLU 52 HG3 GLU 52 1.311 8.433 30.435 425 H GLY 53 H GLY 53 2.596 5.201 33.304 426 HA2 GLY 53 HA2 GLY 53 4.391 7.349 33.877 427 HA3 GLY 53 HA3 GLY 53 4.122 5.926 34.872 428 H LEU 54 H LEU 54 4.921 3.859 33.381 429 HA LEU 54 HA LEU 54 7.776 4.419 32.994 430 HB2 LEU 54 HB2 LEU 54 6.297 1.857 33.555 431 HB3 LEU 54 HB3 LEU 54 8.022 1.939 33.206 432 HG LEU 54 HG LEU 54 6.592 3.071 35.607 433 HD11 LEU 54 HD11 LEU 54 6.983 1.037 36.417 434 HD12 LEU 54 HD12 LEU 54 8.695 1.458 36.396 435 HD13 LEU 54 HD13 LEU 54 7.984 0.595 35.033 436 HD21 LEU 54 HD21 LEU 54 8.968 3.611 36.334 437 HD22 LEU 54 HD22 LEU 54 8.250 4.664 35.114 438 HD23 LEU 54 HD23 LEU 54 9.414 3.427 34.637 439 H ILE 55 H ILE 55 7.878 5.087 30.883 440 HA ILE 55 HA ILE 55 6.665 4.603 28.639 441 HB ILE 55 HB ILE 55 8.731 4.496 27.373 442 HG12 ILE 55 HG12 ILE 55 9.715 2.794 29.114 443 HG13 ILE 55 HG13 ILE 55 10.791 3.859 28.216 444 HG21 ILE 55 HG21 ILE 55 9.907 6.438 28.378 445 HG22 ILE 55 HG22 ILE 55 8.159 6.644 28.281 446 HG23 ILE 55 HG23 ILE 55 8.915 6.241 29.822 447 HD11 ILE 55 HD11 ILE 55 11.289 3.651 30.650 448 HD12 ILE 55 HD12 ILE 55 11.038 5.304 30.086 449 HD13 ILE 55 HD13 ILE 55 9.761 4.471 30.972 450 HA PRO 56 HA PRO 56 6.119 0.356 27.676 451 HB2 PRO 56 HB2 PRO 56 6.367 0.357 24.973 452 HB3 PRO 56 HB3 PRO 56 4.965 1.036 25.809 453 HG2 PRO 56 HG2 PRO 56 7.358 2.435 24.680 454 HG3 PRO 56 HG3 PRO 56 5.648 2.893 24.588 455 HD2 PRO 56 HD2 PRO 56 7.367 4.026 26.346 456 HD3 PRO 56 HD3 PRO 56 5.645 3.793 26.710 457 H VAL 57 H VAL 57 9.002 1.940 26.456 458 HA VAL 57 HA VAL 57 10.393 -0.270 25.472 459 HB VAL 57 HB VAL 57 11.612 2.109 26.877 460 HG11 VAL 57 HG11 VAL 57 12.672 -0.093 25.196 461 HG12 VAL 57 HG12 VAL 57 13.359 1.517 24.967 462 HG13 VAL 57 HG13 VAL 57 13.411 0.752 26.556 463 HG21 VAL 57 HG21 VAL 57 10.381 1.797 24.191 464 HG22 VAL 57 HG22 VAL 57 10.406 3.193 25.269 465 HG23 VAL 57 HG23 VAL 57 11.838 2.782 24.326 466 H ASP 58 H ASP 58 9.614 0.607 28.697 467 HA ASP 58 HA ASP 58 11.694 -1.058 29.867 468 HB2 ASP 58 HB2 ASP 58 10.044 1.112 30.772 469 HB3 ASP 58 HB3 ASP 58 9.834 -0.269 31.846 470 H LEU 59 H LEU 59 8.136 -0.899 30.111 471 HA LEU 59 HA LEU 59 7.822 -3.417 31.305 472 HB2 LEU 59 HB2 LEU 59 5.726 -2.719 31.445 473 HB3 LEU 59 HB3 LEU 59 6.168 -1.311 30.482 474 HG LEU 59 HG LEU 59 5.316 -3.888 29.197 475 HD11 LEU 59 HD11 LEU 59 3.503 -1.608 29.966 476 HD12 LEU 59 HD12 LEU 59 3.574 -3.159 30.801 477 HD13 LEU 59 HD13 LEU 59 3.053 -3.088 29.118 478 HD21 LEU 59 HD21 LEU 59 4.615 -1.354 27.959 479 HD22 LEU 59 HD22 LEU 59 5.454 -2.751 27.283 480 HD23 LEU 59 HD23 LEU 59 6.353 -1.537 28.194 481 H ALA 60 H ALA 60 8.191 -2.457 27.976 482 HA ALA 60 HA ALA 60 7.216 -4.795 26.740 483 HB1 ALA 60 HB1 ALA 60 8.510 -4.060 24.781 484 HB2 ALA 60 HB2 ALA 60 7.562 -2.751 25.487 485 HB3 ALA 60 HB3 ALA 60 9.299 -2.838 25.779 486 H GLU 61 H GLU 61 10.471 -3.870 27.810 487 HA GLU 61 HA GLU 61 11.874 -6.066 26.838 488 HB2 GLU 61 HB2 GLU 61 12.289 -4.107 29.034 489 HB3 GLU 61 HB3 GLU 61 13.270 -5.566 29.066 490 HG2 GLU 61 HG2 GLU 61 13.077 -3.927 26.576 491 HG3 GLU 61 HG3 GLU 61 14.167 -3.459 27.879 492 H LEU 62 H LEU 62 9.951 -5.708 29.758 493 HA LEU 62 HA LEU 62 10.735 -8.216 30.890 494 HB2 LEU 62 HB2 LEU 62 10.001 -6.633 32.440 495 HB3 LEU 62 HB3 LEU 62 8.583 -6.217 31.479 496 HG LEU 62 HG LEU 62 8.597 -8.987 32.422 497 HD11 LEU 62 HD11 LEU 62 7.969 -8.336 34.742 498 HD12 LEU 62 HD12 LEU 62 8.562 -6.712 34.396 499 HD13 LEU 62 HD13 LEU 62 9.672 -8.081 34.357 500 HD21 LEU 62 HD21 LEU 62 6.746 -7.478 31.354 501 HD22 LEU 62 HD22 LEU 62 6.514 -6.935 33.016 502 HD23 LEU 62 HD23 LEU 62 6.332 -8.643 32.613 503 H LEU 63 H LEU 63 7.885 -7.061 29.118 504 HA LEU 63 HA LEU 63 6.424 -9.456 29.206 505 HB2 LEU 63 HB2 LEU 63 5.985 -6.940 28.253 506 HB3 LEU 63 HB3 LEU 63 6.130 -7.865 26.760 507 HG LEU 63 HG LEU 63 4.264 -8.749 28.933 508 HD11 LEU 63 HD11 LEU 63 4.061 -6.249 27.872 509 HD12 LEU 63 HD12 LEU 63 2.709 -7.204 28.480 510 HD13 LEU 63 HD13 LEU 63 3.077 -7.196 26.755 511 HD21 LEU 63 HD21 LEU 63 3.076 -9.368 26.631 512 HD22 LEU 63 HD22 LEU 63 4.274 -10.416 27.393 513 HD23 LEU 63 HD23 LEU 63 4.749 -9.346 26.072 514 H ILE 64 H ILE 64 8.537 -8.163 26.646 515 HA ILE 64 HA ILE 64 8.336 -10.296 24.871 516 HB ILE 64 HB ILE 64 10.519 -9.566 23.971 517 HG12 ILE 64 HG12 ILE 64 11.172 -7.252 25.244 518 HG13 ILE 64 HG13 ILE 64 10.637 -8.233 26.604 519 HG21 ILE 64 HG21 ILE 64 9.583 -7.791 22.947 520 HG22 ILE 64 HG22 ILE 64 8.151 -8.283 23.849 521 HG23 ILE 64 HG23 ILE 64 9.181 -6.992 24.466 522 HD11 ILE 64 HD11 ILE 64 13.146 -8.212 25.731 523 HD12 ILE 64 HD12 ILE 64 12.401 -9.635 26.458 524 HD13 ILE 64 HD13 ILE 64 12.511 -9.497 24.704 525 H SER 65 H SER 65 10.251 -9.935 27.773 526 HA SER 65 HA SER 65 11.877 -12.257 27.257 527 HB2 SER 65 HB2 SER 65 12.803 -10.430 28.577 528 HB3 SER 65 HB3 SER 65 11.509 -10.597 29.763 529 HG SER 65 HG SER 65 13.739 -11.705 30.016 530 H LYS 66 H LYS 66 8.830 -11.591 28.724 531 HA LYS 66 HA LYS 66 8.506 -13.590 30.574 532 HB2 LYS 66 HB2 LYS 66 6.769 -11.969 30.214 533 HB3 LYS 66 HB3 LYS 66 6.530 -12.516 28.559 534 HG2 LYS 66 HG2 LYS 66 4.738 -13.377 29.834 535 HG3 LYS 66 HG3 LYS 66 5.819 -14.733 29.502 536 HD2 LYS 66 HD2 LYS 66 6.449 -13.311 31.976 537 HD3 LYS 66 HD3 LYS 66 4.839 -14.036 31.969 538 HE2 LYS 66 HE2 LYS 66 7.386 -15.499 31.284 539 HE3 LYS 66 HE3 LYS 66 6.605 -15.534 32.864 540 HZ1 LYS 66 HZ1 LYS 66 4.760 -16.659 31.996 541 HZ2 LYS 66 HZ2 LYS 66 6.095 -17.434 31.304 542 HZ3 LYS 66 HZ3 LYS 66 5.189 -16.335 30.392 543 H TYR 67 H TYR 67 7.441 -13.900 27.182 544 HA TYR 67 HA TYR 67 8.201 -16.741 27.299 545 HB2 TYR 67 HB2 TYR 67 5.651 -16.126 27.428 546 HB3 TYR 67 HB3 TYR 67 5.826 -15.871 25.695 547 HD1 TYR 67 HD1 TYR 67 6.841 -17.825 24.334 548 HD2 TYR 67 HD2 TYR 67 5.241 -18.265 28.251 549 HE1 TYR 67 HE1 TYR 67 6.574 -20.239 23.947 550 HE2 TYR 67 HE2 TYR 67 4.971 -20.680 27.876 551 HH TYR 67 HH TYR 67 5.521 -22.124 24.734 552 H GLY 68 H GLY 68 7.590 -13.906 25.281 553 HA2 GLY 68 HA2 GLY 68 9.827 -14.315 23.642 554 HA3 GLY 68 HA3 GLY 68 8.429 -15.000 22.827 555 H GLU 69 H GLU 69 10.188 -12.628 22.255 556 HA GLU 69 HA GLU 69 8.657 -10.276 22.652 557 HB2 GLU 69 HB2 GLU 69 10.168 -9.250 21.021 558 HB3 GLU 69 HB3 GLU 69 11.059 -10.197 22.204 559 HG2 GLU 69 HG2 GLU 69 12.044 -11.284 20.557 560 HG3 GLU 69 HG3 GLU 69 10.478 -11.926 20.065 561 H LYS 70 H LYS 70 8.680 -12.756 20.199 562 HA LYS 70 HA LYS 70 7.328 -11.414 18.149 563 HB2 LYS 70 HB2 LYS 70 8.456 -13.703 18.075 564 HB3 LYS 70 HB3 LYS 70 6.979 -14.340 18.786 565 HG2 LYS 70 HG2 LYS 70 7.156 -14.536 16.293 566 HG3 LYS 70 HG3 LYS 70 5.697 -13.743 16.890 567 HD2 LYS 70 HD2 LYS 70 6.610 -11.572 16.375 568 HD3 LYS 70 HD3 LYS 70 8.159 -12.290 15.925 569 HE2 LYS 70 HE2 LYS 70 6.460 -11.628 14.073 570 HE3 LYS 70 HE3 LYS 70 7.333 -13.155 13.950 571 HZ1 LYS 70 HZ1 LYS 70 4.800 -13.120 13.571 572 HZ2 LYS 70 HZ2 LYS 70 4.696 -13.065 15.258 573 HZ3 LYS 70 HZ3 LYS 70 5.468 -14.366 14.500 574 H GLU 71 H GLU 71 5.787 -13.973 20.072 575 HA GLU 71 HA GLU 71 3.177 -13.276 19.573 576 HB2 GLU 71 HB2 GLU 71 4.001 -15.347 20.747 577 HB3 GLU 71 HB3 GLU 71 4.153 -14.381 22.208 578 HG2 GLU 71 HG2 GLU 71 1.929 -14.324 22.571 579 HG3 GLU 71 HG3 GLU 71 1.537 -14.285 20.853 580 H ALA 72 H ALA 72 5.425 -11.802 21.776 581 HA ALA 72 HA ALA 72 3.815 -10.495 23.573 582 HB1 ALA 72 HB1 ALA 72 6.491 -10.264 22.671 583 HB2 ALA 72 HB2 ALA 72 5.800 -8.642 22.738 584 HB3 ALA 72 HB3 ALA 72 5.782 -9.668 24.172 585 H VAL 73 H VAL 73 4.979 -9.013 20.539 586 HA VAL 73 HA VAL 73 3.323 -6.775 20.617 587 HB VAL 73 HB VAL 73 4.532 -8.211 18.255 588 HG11 VAL 73 HG11 VAL 73 4.133 -5.894 17.163 589 HG12 VAL 73 HG12 VAL 73 2.805 -7.053 17.232 590 HG13 VAL 73 HG13 VAL 73 2.877 -5.722 18.388 591 HG21 VAL 73 HG21 VAL 73 5.396 -6.060 20.102 592 HG22 VAL 73 HG22 VAL 73 6.338 -7.333 19.325 593 HG23 VAL 73 HG23 VAL 73 5.856 -5.907 18.406 594 H LYS 74 H LYS 74 2.804 -9.918 19.052 595 HA LYS 74 HA LYS 74 0.365 -9.339 17.818 596 HB2 LYS 74 HB2 LYS 74 1.755 -11.825 18.688 597 HB3 LYS 74 HB3 LYS 74 0.048 -11.946 18.281 598 HG2 LYS 74 HG2 LYS 74 0.567 -12.044 16.137 599 HG3 LYS 74 HG3 LYS 74 1.312 -10.447 16.239 600 HD2 LYS 74 HD2 LYS 74 2.944 -11.984 15.392 601 HD3 LYS 74 HD3 LYS 74 3.401 -11.548 17.041 602 HE2 LYS 74 HE2 LYS 74 3.705 -13.874 16.917 603 HE3 LYS 74 HE3 LYS 74 2.175 -13.658 17.766 604 HZ1 LYS 74 HZ1 LYS 74 1.506 -13.783 15.109 605 HZ2 LYS 74 HZ2 LYS 74 1.300 -15.007 16.259 606 HZ3 LYS 74 HZ3 LYS 74 2.691 -14.976 15.297 607 H VAL 75 H VAL 75 1.117 -10.273 21.114 608 HA VAL 75 HA VAL 75 -1.535 -10.859 21.928 609 HB VAL 75 HB VAL 75 0.954 -11.065 23.102 610 HG11 VAL 75 HG11 VAL 75 0.960 -9.786 25.111 611 HG12 VAL 75 HG12 VAL 75 0.708 -8.659 23.777 612 HG13 VAL 75 HG13 VAL 75 -0.652 -9.152 24.785 613 HG21 VAL 75 HG21 VAL 75 -1.140 -11.357 25.060 614 HG22 VAL 75 HG22 VAL 75 -1.648 -12.000 23.499 615 HG23 VAL 75 HG23 VAL 75 -0.173 -12.595 24.260 616 H VAL 76 H VAL 76 0.145 -7.921 21.359 617 HA VAL 76 HA VAL 76 -1.495 -6.282 23.066 618 HB VAL 76 HB VAL 76 0.784 -5.854 21.264 619 HG11 VAL 76 HG11 VAL 76 -1.402 -3.802 21.503 620 HG12 VAL 76 HG12 VAL 76 0.263 -3.387 21.090 621 HG13 VAL 76 HG13 VAL 76 -0.670 -4.450 20.035 622 HG21 VAL 76 HG21 VAL 76 -0.184 -4.909 23.919 623 HG22 VAL 76 HG22 VAL 76 1.347 -5.668 23.484 624 HG23 VAL 76 HG23 VAL 76 1.054 -3.977 23.078 625 H LEU 77 H LEU 77 -1.217 -6.793 19.555 626 HA LEU 77 HA LEU 77 -3.418 -5.104 18.914 627 HB2 LEU 77 HB2 LEU 77 -3.266 -6.237 16.678 628 HB3 LEU 77 HB3 LEU 77 -1.798 -5.437 17.234 629 HG LEU 77 HG LEU 77 -1.468 -8.038 18.096 630 HD11 LEU 77 HD11 LEU 77 -2.980 -7.982 15.512 631 HD12 LEU 77 HD12 LEU 77 -3.210 -9.025 16.915 632 HD13 LEU 77 HD13 LEU 77 -1.815 -9.260 15.861 633 HD21 LEU 77 HD21 LEU 77 0.281 -6.683 17.169 634 HD22 LEU 77 HD22 LEU 77 -0.510 -6.657 15.593 635 HD23 LEU 77 HD23 LEU 77 0.159 -8.165 16.220 636 H LYS 78 H LYS 78 -3.027 -8.626 19.152 637 HA LYS 78 HA LYS 78 -5.517 -9.466 18.346 638 HB2 LYS 78 HB2 LYS 78 -4.001 -11.176 18.799 639 HB3 LYS 78 HB3 LYS 78 -3.579 -10.519 20.375 640 HG2 LYS 78 HG2 LYS 78 -4.854 -12.554 20.626 641 HG3 LYS 78 HG3 LYS 78 -5.780 -11.178 21.230 642 HD2 LYS 78 HD2 LYS 78 -6.357 -11.526 18.459 643 HD3 LYS 78 HD3 LYS 78 -6.534 -13.082 19.273 644 HE2 LYS 78 HE2 LYS 78 -7.693 -11.077 20.921 645 HE3 LYS 78 HE3 LYS 78 -8.304 -10.860 19.282 646 HZ1 LYS 78 HZ1 LYS 78 -9.682 -12.532 19.664 647 HZ2 LYS 78 HZ2 LYS 78 -8.991 -12.834 21.178 648 HZ3 LYS 78 HZ3 LYS 78 -8.362 -13.581 19.797 649 H GLY 79 H GLY 79 -4.559 -8.622 21.680 650 HA2 GLY 79 HA2 GLY 79 -7.252 -8.818 22.653 651 HA3 GLY 79 HA3 GLY 79 -5.863 -8.209 23.541 652 H LEU 80 H LEU 80 -5.454 -6.363 21.089 653 HA LEU 80 HA LEU 80 -6.807 -4.119 22.232 654 HB2 LEU 80 HB2 LEU 80 -4.822 -4.602 20.129 655 HB3 LEU 80 HB3 LEU 80 -5.891 -3.235 19.819 656 HG LEU 80 HG LEU 80 -4.045 -3.605 22.175 657 HD11 LEU 80 HD11 LEU 80 -4.023 -1.313 20.263 658 HD12 LEU 80 HD12 LEU 80 -3.246 -2.833 19.821 659 HD13 LEU 80 HD13 LEU 80 -2.720 -1.961 21.260 660 HD21 LEU 80 HD21 LEU 80 -6.404 -1.894 21.795 661 HD22 LEU 80 HD22 LEU 80 -4.954 -1.059 22.351 662 HD23 LEU 80 HD23 LEU 80 -5.602 -2.414 23.277 663 H LYS 81 H LYS 81 -7.382 -6.266 19.545 664 HA LYS 81 HA LYS 81 -9.135 -4.800 17.994 665 HB2 LYS 81 HB2 LYS 81 -8.697 -7.677 18.525 666 HB3 LYS 81 HB3 LYS 81 -10.258 -7.257 17.833 667 HG2 LYS 81 HG2 LYS 81 -8.226 -5.863 16.407 668 HG3 LYS 81 HG3 LYS 81 -7.783 -7.568 16.516 669 HD2 LYS 81 HD2 LYS 81 -10.297 -7.934 15.846 670 HD3 LYS 81 HD3 LYS 81 -10.145 -6.293 15.212 671 HE2 LYS 81 HE2 LYS 81 -8.043 -7.142 14.030 672 HE3 LYS 81 HE3 LYS 81 -8.623 -8.760 14.421 673 HZ1 LYS 81 HZ1 LYS 81 -10.261 -8.633 12.907 674 HZ2 LYS 81 HZ2 LYS 81 -9.268 -7.466 12.192 675 HZ3 LYS 81 HZ3 LYS 81 -10.559 -6.990 13.177 676 H VAL 82 H VAL 82 -10.062 -7.056 20.602 677 HA VAL 82 HA VAL 82 -12.777 -6.380 20.644 678 HB VAL 82 HB VAL 82 -11.359 -8.279 21.884 679 HG11 VAL 82 HG11 VAL 82 -11.987 -6.357 24.118 680 HG12 VAL 82 HG12 VAL 82 -11.189 -7.926 24.239 681 HG13 VAL 82 HG13 VAL 82 -10.375 -6.580 23.439 682 HG21 VAL 82 HG21 VAL 82 -13.500 -8.291 23.508 683 HG22 VAL 82 HG22 VAL 82 -14.063 -7.159 22.278 684 HG23 VAL 82 HG23 VAL 82 -13.563 -8.786 21.816 685 H MET 83 H MET 83 -10.179 -4.456 21.411 686 HA MET 83 HA MET 83 -11.689 -2.880 23.378 687 HB2 MET 83 HB2 MET 83 -8.794 -3.246 22.802 688 HB3 MET 83 HB3 MET 83 -9.308 -1.668 23.385 689 HG2 MET 83 HG2 MET 83 -9.764 -4.303 24.765 690 HG3 MET 83 HG3 MET 83 -8.574 -3.082 25.211 691 HE1 MET 83 HE1 MET 83 -10.422 -0.087 26.023 692 HE2 MET 83 HE2 MET 83 -9.771 -0.966 27.406 693 HE3 MET 83 HE3 MET 83 -8.903 -0.970 25.870 694 H ASN 84 H ASN 84 -11.254 -3.034 20.139 695 HA ASN 84 HA ASN 84 -11.588 -1.599 18.407 696 HB2 ASN 84 HB2 ASN 84 -12.901 -0.172 20.688 697 HB3 ASN 84 HB3 ASN 84 -12.732 0.654 19.142 698 HD21 ASN 84 HD21 ASN 84 -14.820 0.690 18.527 699 HD22 ASN 84 HD22 ASN 84 -15.768 -0.721 18.218 700 H LEU 85 H LEU 85 -9.097 -1.603 18.728 701 HA LEU 85 HA LEU 85 -8.226 1.200 18.988 702 HB2 LEU 85 HB2 LEU 85 -7.155 -1.265 20.156 703 HB3 LEU 85 HB3 LEU 85 -5.945 -0.245 19.382 704 HG LEU 85 HG LEU 85 -5.888 0.439 21.597 705 HD11 LEU 85 HD11 LEU 85 -7.966 2.348 20.596 706 HD12 LEU 85 HD12 LEU 85 -6.368 2.269 19.855 707 HD13 LEU 85 HD13 LEU 85 -6.529 2.672 21.564 708 HD21 LEU 85 HD21 LEU 85 -8.780 0.890 21.968 709 HD22 LEU 85 HD22 LEU 85 -7.566 0.294 23.101 710 HD23 LEU 85 HD23 LEU 85 -8.257 -0.793 21.896 711 H LEU 86 H LEU 86 -9.150 -0.291 16.626 712 HA LEU 86 HA LEU 86 -7.018 -1.102 14.997 713 HB2 LEU 86 HB2 LEU 86 -9.832 -0.324 14.608 714 HB3 LEU 86 HB3 LEU 86 -8.795 -0.153 13.194 715 HG LEU 86 HG LEU 86 -8.830 -2.737 14.696 716 HD11 LEU 86 HD11 LEU 86 -11.118 -2.574 14.415 717 HD12 LEU 86 HD12 LEU 86 -10.614 -3.388 12.934 718 HD13 LEU 86 HD13 LEU 86 -10.975 -1.662 12.912 719 HD21 LEU 86 HD21 LEU 86 -8.680 -3.357 12.103 720 HD22 LEU 86 HD22 LEU 86 -7.264 -2.948 13.071 721 HD23 LEU 86 HD23 LEU 86 -8.010 -1.727 12.038 722 H GLU 87 H GLU 87 -7.803 1.964 16.155 723 HA GLU 87 HA GLU 87 -7.196 3.693 14.084 724 HB2 GLU 87 HB2 GLU 87 -8.031 4.463 16.243 725 HB3 GLU 87 HB3 GLU 87 -6.528 3.982 17.018 726 HG2 GLU 87 HG2 GLU 87 -6.447 6.326 16.729 727 HG3 GLU 87 HG3 GLU 87 -5.343 5.621 15.549 728 H LEU 88 H LEU 88 -4.837 3.220 16.684 729 HA LEU 88 HA LEU 88 -2.653 3.768 14.923 730 HB2 LEU 88 HB2 LEU 88 -1.266 3.600 16.820 731 HB3 LEU 88 HB3 LEU 88 -2.766 4.346 17.367 732 HG LEU 88 HG LEU 88 -2.019 2.796 19.034 733 HD11 LEU 88 HD11 LEU 88 -4.450 2.938 18.542 734 HD12 LEU 88 HD12 LEU 88 -3.955 1.399 19.247 735 HD13 LEU 88 HD13 LEU 88 -4.284 1.511 17.518 736 HD21 LEU 88 HD21 LEU 88 -2.308 0.346 17.490 737 HD22 LEU 88 HD22 LEU 88 -1.042 0.834 18.617 738 HD23 LEU 88 HD23 LEU 88 -0.975 1.358 16.933 739 H VAL 89 H VAL 89 -4.252 0.911 16.042 740 HA VAL 89 HA VAL 89 -2.217 -0.985 15.678 741 HB VAL 89 HB VAL 89 -5.211 -1.160 15.597 742 HG11 VAL 89 HG11 VAL 89 -3.255 -3.372 15.002 743 HG12 VAL 89 HG12 VAL 89 -4.936 -3.644 15.462 744 HG13 VAL 89 HG13 VAL 89 -4.557 -2.781 13.971 745 HG21 VAL 89 HG21 VAL 89 -3.065 -2.195 17.440 746 HG22 VAL 89 HG22 VAL 89 -4.273 -0.955 17.781 747 HG23 VAL 89 HG23 VAL 89 -4.768 -2.635 17.574 748 H ASP 90 H ASP 90 -4.352 0.600 13.410 749 HA ASP 90 HA ASP 90 -4.378 -0.956 11.207 750 HB2 ASP 90 HB2 ASP 90 -5.156 1.499 11.525 751 HB3 ASP 90 HB3 ASP 90 -3.561 1.921 10.909 752 H GLN 91 H GLN 91 -1.663 1.171 12.096 753 HA GLN 91 HA GLN 91 -0.002 0.157 9.983 754 HB2 GLN 91 HB2 GLN 91 0.382 2.080 12.249 755 HB3 GLN 91 HB3 GLN 91 1.783 1.464 11.382 756 HG2 GLN 91 HG2 GLN 91 -0.445 2.552 9.766 757 HG3 GLN 91 HG3 GLN 91 0.532 3.696 10.685 758 HE21 GLN 91 HE21 GLN 91 0.500 3.855 7.985 759 HE22 GLN 91 HE22 GLN 91 2.016 3.343 7.335 760 H LEU 92 H LEU 92 0.320 0.074 13.538 761 HA LEU 92 HA LEU 92 2.409 -1.492 13.986 762 HB2 LEU 92 HB2 LEU 92 1.039 -0.842 15.812 763 HB3 LEU 92 HB3 LEU 92 -0.327 -1.773 15.202 764 HG LEU 92 HG LEU 92 0.901 -2.695 17.228 765 HD11 LEU 92 HD11 LEU 92 -0.444 -3.916 15.180 766 HD12 LEU 92 HD12 LEU 92 0.035 -4.683 16.694 767 HD13 LEU 92 HD13 LEU 92 1.052 -4.846 15.263 768 HD21 LEU 92 HD21 LEU 92 2.913 -4.024 16.722 769 HD22 LEU 92 HD22 LEU 92 3.174 -2.294 16.505 770 HD23 LEU 92 HD23 LEU 92 2.940 -3.334 15.100 771 H SER 93 H SER 93 -0.742 -2.802 12.986 772 HA SER 93 HA SER 93 0.100 -5.497 12.865 773 HB2 SER 93 HB2 SER 93 -2.099 -4.428 11.123 774 HB3 SER 93 HB3 SER 93 -2.004 -5.969 11.974 775 HG SER 93 HG SER 93 -2.966 -3.567 12.828 776 H HIS 94 H HIS 94 -0.222 -2.995 10.364 777 HA HIS 94 HA HIS 94 0.665 -4.645 8.231 778 HB2 HIS 94 HB2 HIS 94 -0.074 -1.845 8.614 779 HB3 HIS 94 HB3 HIS 94 1.241 -2.049 7.460 780 HD1 HIS 94 HD1 HIS 94 -0.314 -1.342 5.510 781 HD2 HIS 94 HD2 HIS 94 -1.542 -4.763 7.522 782 HE1 HIS 94 HE1 HIS 94 -2.074 -2.387 4.048 783 H ILE 95 H ILE 95 2.313 -3.551 10.859 784 HA ILE 95 HA ILE 95 4.868 -3.418 9.397 785 HB ILE 95 HB ILE 95 4.246 -2.323 12.142 786 HG12 ILE 95 HG12 ILE 95 4.686 -0.900 9.508 787 HG13 ILE 95 HG13 ILE 95 3.151 -1.040 10.358 788 HG21 ILE 95 HG21 ILE 95 6.721 -2.896 10.777 789 HG22 ILE 95 HG22 ILE 95 6.582 -1.178 11.147 790 HG23 ILE 95 HG23 ILE 95 6.449 -2.371 12.439 791 HD11 ILE 95 HD11 ILE 95 4.962 0.052 12.195 792 HD12 ILE 95 HD12 ILE 95 5.223 0.899 10.670 793 HD13 ILE 95 HD13 ILE 95 3.614 0.854 11.390 794 H CYS 96 H CYS 96 3.003 -5.176 11.655 795 HA CYS 96 HA CYS 96 5.350 -6.824 12.332 796 HB2 CYS 96 HB2 CYS 96 4.189 -5.509 14.225 797 HB3 CYS 96 HB3 CYS 96 2.880 -6.670 14.044 798 HG CYS 96 HG CYS 96 6.019 -7.865 14.497 799 H LEU 97 H LEU 97 3.347 -6.954 10.095 800 HA LEU 97 HA LEU 97 2.286 -8.568 8.895 801 HB2 LEU 97 HB2 LEU 97 4.130 -9.977 10.610 802 HB3 LEU 97 HB3 LEU 97 2.686 -10.942 10.308 803 HG LEU 97 HG LEU 97 3.091 -10.580 7.849 804 HD11 LEU 97 HD11 LEU 97 5.742 -9.559 8.857 805 HD12 LEU 97 HD12 LEU 97 4.519 -8.620 8.003 806 HD13 LEU 97 HD13 LEU 97 5.356 -9.935 7.178 807 HD21 LEU 97 HD21 LEU 97 4.870 -12.268 7.731 808 HD22 LEU 97 HD22 LEU 97 3.651 -12.674 8.939 809 HD23 LEU 97 HD23 LEU 97 5.209 -12.018 9.443 810 H HIS 98 H HIS 98 0.149 -8.288 9.045 811 HA HIS 98 HA HIS 98 -1.265 -8.846 11.513 812 HB2 HIS 98 HB2 HIS 98 -1.881 -6.875 10.193 813 HB3 HIS 98 HB3 HIS 98 -2.284 -7.906 8.823 814 HD1 HIS 98 HD1 HIS 98 -4.514 -9.193 8.924 815 HD2 HIS 98 HD2 HIS 98 -3.780 -6.827 12.259 816 HE1 HIS 98 HE1 HIS 98 -6.695 -9.094 10.170 817 H ASP 99 H ASP 99 -0.650 -10.370 8.467 818 HA ASP 99 HA ASP 99 -2.815 -12.146 8.347 819 HB2 ASP 99 HB2 ASP 99 0.020 -12.554 7.370 820 HB3 ASP 99 HB3 ASP 99 -1.376 -13.509 6.881 821 H TYR 100 H TYR 100 -0.146 -12.028 10.472 822 HA TYR 100 HA TYR 100 0.032 -14.796 11.105 823 HB2 TYR 100 HB2 TYR 100 1.308 -12.355 11.925 824 HB3 TYR 100 HB3 TYR 100 0.853 -13.286 13.348 825 HD1 TYR 100 HD1 TYR 100 1.404 -15.917 13.068 826 HD2 TYR 100 HD2 TYR 100 3.415 -12.736 11.083 827 HE1 TYR 100 HE1 TYR 100 3.370 -17.362 12.758 828 HE2 TYR 100 HE2 TYR 100 5.386 -14.173 10.766 829 HH TYR 100 HH TYR 100 6.361 -16.116 11.354 830 H ARG 101 H ARG 101 -2.109 -12.258 12.026 831 HA ARG 101 HA ARG 101 -3.394 -14.073 13.956 832 HB2 ARG 101 HB2 ARG 101 -3.179 -11.065 14.188 833 HB3 ARG 101 HB3 ARG 101 -4.048 -12.120 15.295 834 HG2 ARG 101 HG2 ARG 101 -1.289 -12.937 14.949 835 HG3 ARG 101 HG3 ARG 101 -1.433 -11.279 15.535 836 HD2 ARG 101 HD2 ARG 101 -1.317 -13.032 17.324 837 HD3 ARG 101 HD3 ARG 101 -2.720 -11.967 17.411 838 HE ARG 101 HE ARG 101 -4.066 -13.780 17.057 839 HH11 ARG 101 HH11 ARG 101 -0.809 -14.591 16.132 840 HH12 ARG 101 HH12 ARG 101 -1.163 -16.267 15.868 841 HH21 ARG 101 HH21 ARG 101 -4.544 -15.983 16.713 842 HH22 ARG 101 HH22 ARG 101 -3.287 -17.057 16.198 843 H GLU 102 H GLU 102 -5.730 -13.343 14.381 844 HA GLU 102 HA GLU 102 -6.978 -12.880 11.771 845 HB2 GLU 102 HB2 GLU 102 -8.110 -13.993 14.343 846 HB3 GLU 102 HB3 GLU 102 -9.035 -13.759 12.866 847 HG2 GLU 102 HG2 GLU 102 -7.538 -15.324 11.705 848 HG3 GLU 102 HG3 GLU 102 -6.671 -15.589 13.217 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -5.567 -7.037 -4.199 2 HA2 GLY 1 HA2 GLY 1 -6.125 -7.464 -1.466 3 HA3 GLY 1 HA3 GLY 1 -5.169 -8.808 -2.072 4 H ALA 2 H ALA 2 -3.754 -7.840 -0.304 5 HA ALA 2 HA ALA 2 -2.119 -5.645 -1.390 6 HB1 ALA 2 HB1 ALA 2 -2.105 -4.758 0.643 7 HB2 ALA 2 HB2 ALA 2 -3.222 -6.019 1.165 8 HB3 ALA 2 HB3 ALA 2 -1.483 -6.256 1.336 9 H MET 3 H MET 3 -0.689 -6.747 -2.676 10 HA MET 3 HA MET 3 0.984 -8.771 -1.339 11 HB2 MET 3 HB2 MET 3 0.387 -8.462 -4.287 12 HB3 MET 3 HB3 MET 3 1.466 -9.663 -3.591 13 HG2 MET 3 HG2 MET 3 -0.300 -10.817 -2.569 14 HG3 MET 3 HG3 MET 3 -1.419 -9.477 -2.803 15 HE1 MET 3 HE1 MET 3 0.582 -12.321 -4.308 16 HE2 MET 3 HE2 MET 3 -0.021 -12.501 -5.956 17 HE3 MET 3 HE3 MET 3 1.072 -11.174 -5.556 18 H ALA 4 H ALA 4 3.168 -8.922 -2.771 19 HA ALA 4 HA ALA 4 5.185 -7.964 -3.212 20 HB1 ALA 4 HB1 ALA 4 3.612 -5.498 -3.938 21 HB2 ALA 4 HB2 ALA 4 5.242 -5.921 -4.463 22 HB3 ALA 4 HB3 ALA 4 3.862 -6.871 -5.016 23 H MET 5 H MET 5 5.201 -8.121 -0.742 24 HA MET 5 HA MET 5 6.444 -5.802 0.288 25 HB2 MET 5 HB2 MET 5 4.768 -5.473 2.189 26 HB3 MET 5 HB3 MET 5 4.327 -4.828 0.614 27 HG2 MET 5 HG2 MET 5 2.665 -6.359 0.293 28 HG3 MET 5 HG3 MET 5 3.435 -7.571 1.314 29 HE1 MET 5 HE1 MET 5 1.974 -3.726 3.132 30 HE2 MET 5 HE2 MET 5 2.615 -3.974 1.507 31 HE3 MET 5 HE3 MET 5 0.888 -4.166 1.813 32 H ALA 6 H ALA 6 7.900 -6.481 1.720 33 HA ALA 6 HA ALA 6 7.328 -8.452 3.709 34 HB1 ALA 6 HB1 ALA 6 7.848 -10.280 2.556 35 HB2 ALA 6 HB2 ALA 6 8.434 -9.333 1.188 36 HB3 ALA 6 HB3 ALA 6 9.514 -9.699 2.533 37 H LYS 7 H LYS 7 8.132 -7.088 5.236 38 HA LYS 7 HA LYS 7 10.946 -6.998 5.604 39 HB2 LYS 7 HB2 LYS 7 9.976 -4.970 3.970 40 HB3 LYS 7 HB3 LYS 7 10.100 -4.212 5.553 41 HG2 LYS 7 HG2 LYS 7 12.423 -4.710 5.697 42 HG3 LYS 7 HG3 LYS 7 12.350 -5.731 4.259 43 HD2 LYS 7 HD2 LYS 7 11.484 -2.899 4.004 44 HD3 LYS 7 HD3 LYS 7 13.212 -3.225 4.158 45 HE2 LYS 7 HE2 LYS 7 13.118 -3.463 1.923 46 HE3 LYS 7 HE3 LYS 7 12.513 -5.073 2.310 47 HZ1 LYS 7 HZ1 LYS 7 11.238 -3.357 0.727 48 HZ2 LYS 7 HZ2 LYS 7 10.516 -2.970 2.207 49 HZ3 LYS 7 HZ3 LYS 7 10.451 -4.557 1.623 50 H ALA 8 H ALA 8 11.551 -5.926 7.621 51 HA ALA 8 HA ALA 8 9.345 -5.227 9.401 52 HB1 ALA 8 HB1 ALA 8 10.327 -6.749 11.170 53 HB2 ALA 8 HB2 ALA 8 9.465 -7.540 9.850 54 HB3 ALA 8 HB3 ALA 8 11.228 -7.524 9.866 55 H ARG 9 H ARG 9 10.183 -4.426 11.541 56 HA ARG 9 HA ARG 9 12.869 -3.259 11.317 57 HB2 ARG 9 HB2 ARG 9 10.268 -1.838 11.654 58 HB3 ARG 9 HB3 ARG 9 11.671 -1.214 12.511 59 HG2 ARG 9 HG2 ARG 9 12.623 -0.422 10.641 60 HG3 ARG 9 HG3 ARG 9 12.125 -1.813 9.675 61 HD2 ARG 9 HD2 ARG 9 9.868 -0.190 10.505 62 HD3 ARG 9 HD3 ARG 9 11.049 0.740 9.583 63 HE ARG 9 HE ARG 9 9.278 -1.241 8.573 64 HH11 ARG 9 HH11 ARG 9 12.466 0.100 8.173 65 HH12 ARG 9 HH12 ARG 9 12.579 -0.331 6.499 66 HH21 ARG 9 HH21 ARG 9 9.415 -1.813 6.369 67 HH22 ARG 9 HH22 ARG 9 10.842 -1.417 5.474 68 H LYS 10 H LYS 10 13.097 -1.901 13.596 69 HA LYS 10 HA LYS 10 12.306 -3.742 15.748 70 HB2 LYS 10 HB2 LYS 10 15.046 -2.803 15.007 71 HB3 LYS 10 HB3 LYS 10 14.673 -3.079 16.703 72 HG2 LYS 10 HG2 LYS 10 13.749 -5.310 15.195 73 HG3 LYS 10 HG3 LYS 10 15.419 -4.964 14.740 74 HD2 LYS 10 HD2 LYS 10 15.571 -4.716 17.431 75 HD3 LYS 10 HD3 LYS 10 14.309 -5.943 17.287 76 HE2 LYS 10 HE2 LYS 10 16.353 -6.615 15.454 77 HE3 LYS 10 HE3 LYS 10 17.135 -6.222 16.984 78 HZ1 LYS 10 HZ1 LYS 10 15.193 -8.352 16.390 79 HZ2 LYS 10 HZ2 LYS 10 15.319 -7.749 17.965 80 HZ3 LYS 10 HZ3 LYS 10 16.665 -8.449 17.218 81 HA PRO 11 HA PRO 11 11.560 0.829 16.652 82 HB2 PRO 11 HB2 PRO 11 8.861 0.661 16.889 83 HB3 PRO 11 HB3 PRO 11 9.672 0.992 15.354 84 HG2 PRO 11 HG2 PRO 11 8.572 -1.590 16.397 85 HG3 PRO 11 HG3 PRO 11 8.452 -0.899 14.768 86 HD2 PRO 11 HD2 PRO 11 10.231 -2.840 15.399 87 HD3 PRO 11 HD3 PRO 11 10.569 -1.595 14.179 88 H ARG 12 H ARG 12 12.671 -0.695 18.483 89 HA ARG 12 HA ARG 12 11.100 -1.687 20.572 90 HB2 ARG 12 HB2 ARG 12 13.913 -0.615 20.477 91 HB3 ARG 12 HB3 ARG 12 13.201 -1.215 21.970 92 HG2 ARG 12 HG2 ARG 12 12.909 -3.401 21.013 93 HG3 ARG 12 HG3 ARG 12 13.454 -2.823 19.438 94 HD2 ARG 12 HD2 ARG 12 15.114 -2.874 21.956 95 HD3 ARG 12 HD3 ARG 12 15.211 -4.051 20.646 96 HE ARG 12 HE ARG 12 15.636 -1.291 19.880 97 HH11 ARG 12 HH11 ARG 12 17.072 -4.307 20.860 98 HH12 ARG 12 HH12 ARG 12 18.630 -3.929 20.201 99 HH21 ARG 12 HH21 ARG 12 17.681 -0.782 19.008 100 HH22 ARG 12 HH22 ARG 12 18.975 -1.923 19.148 101 H GLU 13 H GLU 13 12.568 1.523 20.144 102 HA GLU 13 HA GLU 13 11.614 2.606 22.571 103 HB2 GLU 13 HB2 GLU 13 12.396 3.985 19.997 104 HB3 GLU 13 HB3 GLU 13 12.114 4.805 21.526 105 HG2 GLU 13 HG2 GLU 13 13.943 2.867 22.193 106 HG3 GLU 13 HG3 GLU 13 14.453 3.365 20.581 107 H ALA 14 H ALA 14 10.116 2.040 19.519 108 HA ALA 14 HA ALA 14 8.015 3.957 19.774 109 HB1 ALA 14 HB1 ALA 14 7.542 1.544 18.141 110 HB2 ALA 14 HB2 ALA 14 7.337 3.249 17.738 111 HB3 ALA 14 HB3 ALA 14 8.943 2.522 17.704 112 H LEU 15 H LEU 15 8.249 0.461 20.368 113 HA LEU 15 HA LEU 15 5.626 -0.054 21.076 114 HB2 LEU 15 HB2 LEU 15 7.041 -1.899 20.836 115 HB3 LEU 15 HB3 LEU 15 8.232 -1.243 21.957 116 HG LEU 15 HG LEU 15 6.679 -1.678 23.822 117 HD11 LEU 15 HD11 LEU 15 4.720 -1.725 21.956 118 HD12 LEU 15 HD12 LEU 15 4.568 -2.401 23.577 119 HD13 LEU 15 HD13 LEU 15 4.972 -3.451 22.219 120 HD21 LEU 15 HD21 LEU 15 7.958 -3.502 23.897 121 HD22 LEU 15 HD22 LEU 15 7.957 -3.673 22.142 122 HD23 LEU 15 HD23 LEU 15 6.631 -4.341 23.094 123 H LEU 16 H LEU 16 8.242 1.281 23.027 124 HA LEU 16 HA LEU 16 6.838 1.232 25.494 125 HB2 LEU 16 HB2 LEU 16 8.999 3.197 24.819 126 HB3 LEU 16 HB3 LEU 16 8.616 2.471 26.379 127 HG LEU 16 HG LEU 16 9.800 0.969 24.047 128 HD11 LEU 16 HD11 LEU 16 11.842 1.602 24.659 129 HD12 LEU 16 HD12 LEU 16 11.495 1.336 26.367 130 HD13 LEU 16 HD13 LEU 16 11.066 2.869 25.609 131 HD21 LEU 16 HD21 LEU 16 9.407 0.241 26.947 132 HD22 LEU 16 HD22 LEU 16 10.284 -0.728 25.763 133 HD23 LEU 16 HD23 LEU 16 8.553 -0.447 25.566 134 H TRP 17 H TRP 17 7.162 3.609 22.916 135 HA TRP 17 HA TRP 17 5.799 5.689 24.335 136 HB2 TRP 17 HB2 TRP 17 7.330 5.532 22.009 137 HB3 TRP 17 HB3 TRP 17 5.715 5.950 21.442 138 HD1 TRP 17 HD1 TRP 17 4.942 7.804 23.992 139 HE1 TRP 17 HE1 TRP 17 6.003 10.144 24.158 140 HE3 TRP 17 HE3 TRP 17 8.977 7.086 20.935 141 HZ2 TRP 17 HZ2 TRP 17 8.251 11.505 23.129 142 HZ3 TRP 17 HZ3 TRP 17 10.534 8.958 20.578 143 HH2 TRP 17 HH2 TRP 17 10.177 11.121 21.653 144 H ALA 18 H ALA 18 4.871 3.134 22.128 145 HA ALA 18 HA ALA 18 2.238 4.118 21.624 146 HB1 ALA 18 HB1 ALA 18 1.917 1.619 20.936 147 HB2 ALA 18 HB2 ALA 18 2.937 2.683 19.967 148 HB3 ALA 18 HB3 ALA 18 3.672 1.554 21.104 149 H LEU 19 H LEU 19 3.358 1.289 23.496 150 HA LEU 19 HA LEU 19 0.943 0.653 24.689 151 HB2 LEU 19 HB2 LEU 19 2.213 -0.551 26.343 152 HB3 LEU 19 HB3 LEU 19 2.950 -0.759 24.756 153 HG LEU 19 HG LEU 19 4.494 1.206 25.568 154 HD11 LEU 19 HD11 LEU 19 3.176 0.238 28.048 155 HD12 LEU 19 HD12 LEU 19 3.730 1.855 27.617 156 HD13 LEU 19 HD13 LEU 19 4.896 0.626 28.108 157 HD21 LEU 19 HD21 LEU 19 5.169 -1.109 24.993 158 HD22 LEU 19 HD22 LEU 19 4.820 -1.588 26.654 159 HD23 LEU 19 HD23 LEU 19 6.099 -0.419 26.323 160 H SER 20 H SER 20 3.116 3.251 25.378 161 HA SER 20 HA SER 20 1.930 3.810 27.970 162 HB2 SER 20 HB2 SER 20 4.367 4.161 27.552 163 HB3 SER 20 HB3 SER 20 3.950 5.440 26.412 164 HG SER 20 HG SER 20 2.902 5.542 29.009 165 H ASP 21 H ASP 21 1.415 4.621 24.702 166 HA ASP 21 HA ASP 21 0.249 7.200 25.101 167 HB2 ASP 21 HB2 ASP 21 0.926 5.544 22.884 168 HB3 ASP 21 HB3 ASP 21 -0.775 5.978 22.736 169 H LEU 22 H LEU 22 -0.778 4.120 25.872 170 HA LEU 22 HA LEU 22 -3.612 4.914 25.757 171 HB2 LEU 22 HB2 LEU 22 -3.825 2.307 26.175 172 HB3 LEU 22 HB3 LEU 22 -3.670 2.995 24.560 173 HG LEU 22 HG LEU 22 -1.109 2.325 25.810 174 HD11 LEU 22 HD11 LEU 22 -2.607 -0.054 24.875 175 HD12 LEU 22 HD12 LEU 22 -2.947 0.534 26.502 176 HD13 LEU 22 HD13 LEU 22 -1.303 0.077 26.056 177 HD21 LEU 22 HD21 LEU 22 -2.287 1.385 23.208 178 HD22 LEU 22 HD22 LEU 22 -0.586 1.559 23.642 179 HD23 LEU 22 HD23 LEU 22 -1.589 2.992 23.412 180 H GLU 23 H GLU 23 -4.970 4.172 27.545 181 HA GLU 23 HA GLU 23 -3.731 4.726 30.066 182 HB2 GLU 23 HB2 GLU 23 -6.538 3.955 29.281 183 HB3 GLU 23 HB3 GLU 23 -6.061 4.224 30.951 184 HG2 GLU 23 HG2 GLU 23 -5.456 6.511 30.443 185 HG3 GLU 23 HG3 GLU 23 -5.839 6.255 28.742 186 H GLU 24 H GLU 24 -3.624 3.359 31.889 187 HA GLU 24 HA GLU 24 -2.696 0.769 31.405 188 HB2 GLU 24 HB2 GLU 24 -2.804 0.466 33.851 189 HB3 GLU 24 HB3 GLU 24 -2.068 1.998 33.402 190 HG2 GLU 24 HG2 GLU 24 -4.983 1.932 33.978 191 HG3 GLU 24 HG3 GLU 24 -3.846 1.846 35.322 192 H ASN 25 H ASN 25 -5.901 1.964 32.120 193 HA ASN 25 HA ASN 25 -7.038 -0.598 32.698 194 HB2 ASN 25 HB2 ASN 25 -8.396 1.989 31.909 195 HB3 ASN 25 HB3 ASN 25 -9.196 0.573 32.583 196 HD21 ASN 25 HD21 ASN 25 -8.970 3.348 33.557 197 HD22 ASN 25 HD22 ASN 25 -8.319 3.222 35.152 198 H ASP 26 H ASP 26 -5.764 0.498 29.937 199 HA ASP 26 HA ASP 26 -7.789 -0.785 28.226 200 HB2 ASP 26 HB2 ASP 26 -5.660 1.256 27.565 201 HB3 ASP 26 HB3 ASP 26 -6.625 0.424 26.348 202 H PHE 27 H PHE 27 -4.251 -0.348 28.400 203 HA PHE 27 HA PHE 27 -3.621 -2.509 26.721 204 HB2 PHE 27 HB2 PHE 27 -1.543 -1.715 26.978 205 HB3 PHE 27 HB3 PHE 27 -2.203 -0.526 28.096 206 HD1 PHE 27 HD1 PHE 27 -0.477 -3.747 27.804 207 HD2 PHE 27 HD2 PHE 27 -1.905 -0.745 30.462 208 HE1 PHE 27 HE1 PHE 27 0.854 -4.731 29.625 209 HE2 PHE 27 HE2 PHE 27 -0.576 -1.723 32.287 210 HZ PHE 27 HZ PHE 27 0.806 -3.718 31.869 211 H LYS 28 H LYS 28 -4.124 -2.301 30.194 212 HA LYS 28 HA LYS 28 -3.175 -4.876 30.858 213 HB2 LYS 28 HB2 LYS 28 -3.451 -3.238 32.592 214 HB3 LYS 28 HB3 LYS 28 -5.160 -3.053 32.220 215 HG2 LYS 28 HG2 LYS 28 -4.990 -4.344 34.204 216 HG3 LYS 28 HG3 LYS 28 -5.486 -5.433 32.907 217 HD2 LYS 28 HD2 LYS 28 -3.756 -6.742 33.393 218 HD3 LYS 28 HD3 LYS 28 -2.667 -5.432 32.931 219 HE2 LYS 28 HE2 LYS 28 -3.831 -5.913 35.672 220 HE3 LYS 28 HE3 LYS 28 -2.165 -6.209 35.178 221 HZ1 LYS 28 HZ1 LYS 28 -2.723 -3.579 34.523 222 HZ2 LYS 28 HZ2 LYS 28 -1.717 -4.136 35.763 223 HZ3 LYS 28 HZ3 LYS 28 -3.345 -3.806 36.080 224 H LYS 29 H LYS 29 -6.419 -3.667 30.084 225 HA LYS 29 HA LYS 29 -7.877 -5.984 30.532 226 HB2 LYS 29 HB2 LYS 29 -8.253 -3.489 29.088 227 HB3 LYS 29 HB3 LYS 29 -9.052 -4.834 28.284 228 HG2 LYS 29 HG2 LYS 29 -10.592 -3.776 29.788 229 HG3 LYS 29 HG3 LYS 29 -10.192 -5.382 30.403 230 HD2 LYS 29 HD2 LYS 29 -8.299 -3.891 31.633 231 HD3 LYS 29 HD3 LYS 29 -9.616 -2.720 31.528 232 HE2 LYS 29 HE2 LYS 29 -9.835 -3.867 33.606 233 HE3 LYS 29 HE3 LYS 29 -11.117 -4.445 32.543 234 HZ1 LYS 29 HZ1 LYS 29 -10.225 -6.343 33.554 235 HZ2 LYS 29 HZ2 LYS 29 -8.627 -5.840 33.323 236 HZ3 LYS 29 HZ3 LYS 29 -9.556 -6.337 32.000 237 H LEU 30 H LEU 30 -6.133 -4.966 27.619 238 HA LEU 30 HA LEU 30 -6.900 -7.211 26.055 239 HB2 LEU 30 HB2 LEU 30 -4.334 -5.914 25.432 240 HB3 LEU 30 HB3 LEU 30 -5.718 -6.251 24.394 241 HG LEU 30 HG LEU 30 -5.410 -3.924 26.289 242 HD11 LEU 30 HD11 LEU 30 -4.427 -2.934 24.565 243 HD12 LEU 30 HD12 LEU 30 -5.936 -3.094 23.667 244 HD13 LEU 30 HD13 LEU 30 -4.698 -4.344 23.540 245 HD21 LEU 30 HD21 LEU 30 -7.749 -5.032 24.835 246 HD22 LEU 30 HD22 LEU 30 -7.564 -3.278 24.884 247 HD23 LEU 30 HD23 LEU 30 -7.669 -4.197 26.387 248 H LYS 31 H LYS 31 -3.824 -6.388 27.663 249 HA LYS 31 HA LYS 31 -2.476 -8.760 27.117 250 HB2 LYS 31 HB2 LYS 31 -2.240 -6.911 29.496 251 HB3 LYS 31 HB3 LYS 31 -1.099 -8.199 29.132 252 HG2 LYS 31 HG2 LYS 31 -1.710 -5.866 27.329 253 HG3 LYS 31 HG3 LYS 31 -0.309 -5.996 28.395 254 HD2 LYS 31 HD2 LYS 31 0.564 -7.830 27.165 255 HD3 LYS 31 HD3 LYS 31 -0.938 -8.024 26.259 256 HE2 LYS 31 HE2 LYS 31 0.959 -6.912 25.022 257 HE3 LYS 31 HE3 LYS 31 -0.567 -6.030 25.041 258 HZ1 LYS 31 HZ1 LYS 31 1.845 -5.010 25.728 259 HZ2 LYS 31 HZ2 LYS 31 1.162 -5.361 27.235 260 HZ3 LYS 31 HZ3 LYS 31 0.348 -4.347 26.154 261 H PHE 32 H PHE 32 -4.934 -8.059 29.474 262 HA PHE 32 HA PHE 32 -4.494 -10.220 31.226 263 HB2 PHE 32 HB2 PHE 32 -5.991 -8.195 31.601 264 HB3 PHE 32 HB3 PHE 32 -7.188 -9.013 30.602 265 HD1 PHE 32 HD2 PHE 32 -5.018 -9.689 33.560 266 HD2 PHE 32 HD1 PHE 32 -8.776 -10.291 31.654 267 HE1 PHE 32 HE2 PHE 32 -5.819 -10.917 35.536 268 HE2 PHE 32 HE1 PHE 32 -9.583 -11.519 33.627 269 HZ PHE 32 HZ PHE 32 -8.104 -11.835 35.571 270 H TYR 33 H TYR 33 -6.603 -9.890 28.388 271 HA TYR 33 HA TYR 33 -7.245 -12.736 28.515 272 HB2 TYR 33 HB2 TYR 33 -8.714 -10.498 27.767 273 HB3 TYR 33 HB3 TYR 33 -8.336 -11.285 26.238 274 HD1 TYR 33 HD1 TYR 33 -8.467 -14.093 26.772 275 HD2 TYR 33 HD2 TYR 33 -10.892 -10.977 28.357 276 HE1 TYR 33 HE1 TYR 33 -10.283 -15.708 27.151 277 HE2 TYR 33 HE2 TYR 33 -12.715 -12.583 28.741 278 HH TYR 33 HH TYR 33 -12.260 -16.025 28.277 279 H LEU 34 H LEU 34 -6.034 -10.401 26.108 280 HA LEU 34 HA LEU 34 -5.388 -12.162 24.085 281 HB2 LEU 34 HB2 LEU 34 -4.213 -9.553 24.958 282 HB3 LEU 34 HB3 LEU 34 -3.498 -10.446 23.617 283 HG LEU 34 HG LEU 34 -5.026 -8.665 22.875 284 HD11 LEU 34 HD11 LEU 34 -4.653 -10.816 21.606 285 HD12 LEU 34 HD12 LEU 34 -6.128 -9.934 21.216 286 HD13 LEU 34 HD13 LEU 34 -6.203 -11.361 22.249 287 HD21 LEU 34 HD21 LEU 34 -7.425 -8.891 23.226 288 HD22 LEU 34 HD22 LEU 34 -6.580 -8.733 24.766 289 HD23 LEU 34 HD23 LEU 34 -7.157 -10.313 24.234 290 H ARG 35 H ARG 35 -3.129 -10.925 26.558 291 HA ARG 35 HA ARG 35 -1.003 -12.622 25.887 292 HB2 ARG 35 HB2 ARG 35 -1.248 -10.524 27.541 293 HB3 ARG 35 HB3 ARG 35 -1.314 -11.820 28.728 294 HG2 ARG 35 HG2 ARG 35 0.823 -12.695 27.767 295 HG3 ARG 35 HG3 ARG 35 0.903 -11.231 26.784 296 HD2 ARG 35 HD2 ARG 35 1.995 -10.316 28.503 297 HD3 ARG 35 HD3 ARG 35 0.430 -10.259 29.314 298 HE ARG 35 HE ARG 35 1.302 -12.727 29.921 299 HH11 ARG 35 HH11 ARG 35 2.809 -9.594 30.116 300 HH12 ARG 35 HH12 ARG 35 3.804 -10.013 31.471 301 HH21 ARG 35 HH21 ARG 35 2.608 -13.290 31.705 302 HH22 ARG 35 HH22 ARG 35 3.690 -12.115 32.374 303 H ASP 36 H ASP 36 -3.606 -12.990 28.260 304 HA ASP 36 HA ASP 36 -2.820 -15.252 29.590 305 HB2 ASP 36 HB2 ASP 36 -4.800 -14.425 30.415 306 HB3 ASP 36 HB3 ASP 36 -5.475 -14.145 28.812 307 H MET 37 H MET 37 -4.556 -15.114 26.490 308 HA MET 37 HA MET 37 -4.268 -17.989 26.155 309 HB2 MET 37 HB2 MET 37 -6.390 -16.945 25.530 310 HB3 MET 37 HB3 MET 37 -5.557 -15.908 24.380 311 HG2 MET 37 HG2 MET 37 -5.519 -17.487 22.812 312 HG3 MET 37 HG3 MET 37 -5.030 -18.736 23.954 313 HE1 MET 37 HE1 MET 37 -6.415 -19.513 21.761 314 HE2 MET 37 HE2 MET 37 -7.108 -20.777 22.778 315 HE3 MET 37 HE3 MET 37 -8.161 -19.761 21.793 316 H THR 38 H THR 38 -3.621 -15.193 24.033 317 HA THR 38 HA THR 38 -2.035 -16.367 22.162 318 HB THR 38 HB THR 38 -0.996 -14.226 21.743 319 HG1 THR 38 HG1 THR 38 -0.658 -13.838 24.107 320 HG21 THR 38 HG21 THR 38 -2.988 -13.710 20.874 321 HG22 THR 38 HG22 THR 38 -3.333 -12.851 22.375 322 HG23 THR 38 HG23 THR 38 -3.841 -14.528 22.182 323 H LEU 39 H LEU 39 -0.983 -15.159 25.327 324 HA LEU 39 HA LEU 39 1.618 -16.466 24.895 325 HB2 LEU 39 HB2 LEU 39 0.755 -14.077 26.441 326 HB3 LEU 39 HB3 LEU 39 2.115 -15.017 27.052 327 HG LEU 39 HG LEU 39 3.137 -14.693 24.721 328 HD11 LEU 39 HD11 LEU 39 1.331 -13.915 23.443 329 HD12 LEU 39 HD12 LEU 39 2.350 -12.499 23.701 330 HD13 LEU 39 HD13 LEU 39 0.880 -12.713 24.652 331 HD21 LEU 39 HD21 LEU 39 3.395 -12.069 25.547 332 HD22 LEU 39 HD22 LEU 39 4.393 -13.430 26.059 333 HD23 LEU 39 HD23 LEU 39 3.003 -12.940 27.030 334 H SER 40 H SER 40 0.584 -15.528 28.059 335 HA SER 40 HA SER 40 -0.745 -17.727 29.017 336 HB2 SER 40 HB2 SER 40 1.980 -18.385 28.357 337 HB3 SER 40 HB3 SER 40 1.732 -18.546 30.095 338 HG SER 40 HG SER 40 1.026 -20.247 28.243 339 H GLU 41 H GLU 41 0.239 -18.209 31.482 340 HA GLU 41 HA GLU 41 -0.177 -15.693 32.796 341 HB2 GLU 41 HB2 GLU 41 0.560 -18.362 34.009 342 HB3 GLU 41 HB3 GLU 41 -0.102 -16.973 34.860 343 HG2 GLU 41 HG2 GLU 41 -2.166 -17.174 33.543 344 HG3 GLU 41 HG3 GLU 41 -1.502 -18.603 32.752 345 H GLY 42 H GLY 42 1.270 -15.067 34.676 346 HA2 GLY 42 HA2 GLY 42 3.628 -15.359 35.504 347 HA3 GLY 42 HA3 GLY 42 4.086 -15.287 33.809 348 H GLN 43 H GLN 43 1.627 -13.298 35.359 349 HA GLN 43 HA GLN 43 3.385 -10.962 35.004 350 HB2 GLN 43 HB2 GLN 43 1.141 -9.728 34.578 351 HB3 GLN 43 HB3 GLN 43 1.866 -10.658 33.273 352 HG2 GLN 43 HG2 GLN 43 0.062 -12.239 34.913 353 HG3 GLN 43 HG3 GLN 43 -0.725 -10.849 34.165 354 HE21 GLN 43 HE21 GLN 43 -0.892 -10.740 31.937 355 HE22 GLN 43 HE22 GLN 43 -0.610 -12.107 30.919 356 HA PRO 44 HA PRO 44 2.471 -9.739 39.115 357 HB2 PRO 44 HB2 PRO 44 2.204 -7.046 38.898 358 HB3 PRO 44 HB3 PRO 44 3.760 -7.872 38.755 359 HG2 PRO 44 HG2 PRO 44 1.941 -6.871 36.598 360 HG3 PRO 44 HG3 PRO 44 3.707 -6.752 36.717 361 HD2 PRO 44 HD2 PRO 44 2.473 -8.605 35.176 362 HD3 PRO 44 HD3 PRO 44 4.028 -8.910 35.975 363 HA PRO 45 HA PRO 45 -1.820 -9.240 39.935 364 HB2 PRO 45 HB2 PRO 45 -1.858 -7.613 42.108 365 HB3 PRO 45 HB3 PRO 45 -1.324 -9.297 42.178 366 HG2 PRO 45 HG2 PRO 45 0.312 -6.795 42.013 367 HG3 PRO 45 HG3 PRO 45 0.569 -8.235 43.015 368 HD2 PRO 45 HD2 PRO 45 1.935 -7.796 40.718 369 HD3 PRO 45 HD3 PRO 45 1.515 -9.426 41.283 370 H LEU 46 H LEU 46 -3.623 -7.848 39.773 371 HA LEU 46 HA LEU 46 -3.515 -5.830 37.915 372 HB2 LEU 46 HB2 LEU 46 -5.509 -5.973 40.168 373 HB3 LEU 46 HB3 LEU 46 -5.736 -5.209 38.595 374 HG LEU 46 HG LEU 46 -5.098 -8.048 38.402 375 HD11 LEU 46 HD11 LEU 46 -7.030 -8.964 39.349 376 HD12 LEU 46 HD12 LEU 46 -7.781 -7.384 39.569 377 HD13 LEU 46 HD13 LEU 46 -6.417 -7.860 40.581 378 HD21 LEU 46 HD21 LEU 46 -7.004 -6.075 37.254 379 HD22 LEU 46 HD22 LEU 46 -7.395 -7.790 37.131 380 HD23 LEU 46 HD23 LEU 46 -5.890 -7.177 36.444 381 H ALA 47 H ALA 47 -2.793 -3.809 37.904 382 HA ALA 47 HA ALA 47 -2.977 -2.119 40.232 383 HB1 ALA 47 HB1 ALA 47 -0.203 -2.352 39.185 384 HB2 ALA 47 HB2 ALA 47 -0.773 -1.886 40.788 385 HB3 ALA 47 HB3 ALA 47 -0.785 -3.582 40.307 386 H ARG 48 H ARG 48 -3.866 -0.390 39.306 387 HA ARG 48 HA ARG 48 -3.639 0.340 36.619 388 HB2 ARG 48 HB2 ARG 48 -4.532 1.771 39.095 389 HB3 ARG 48 HB3 ARG 48 -4.376 2.660 37.586 390 HG2 ARG 48 HG2 ARG 48 -6.352 1.927 36.920 391 HG3 ARG 48 HG3 ARG 48 -5.815 0.254 37.085 392 HD2 ARG 48 HD2 ARG 48 -7.350 0.079 38.697 393 HD3 ARG 48 HD3 ARG 48 -6.246 1.030 39.689 394 HE ARG 48 HE ARG 48 -7.915 2.701 38.109 395 HH11 ARG 48 HH11 ARG 48 -7.883 0.719 40.971 396 HH12 ARG 48 HH12 ARG 48 -9.144 1.608 41.759 397 HH21 ARG 48 HH21 ARG 48 -9.576 3.879 39.135 398 HH22 ARG 48 HH22 ARG 48 -10.108 3.405 40.713 399 H GLY 49 H GLY 49 -1.478 0.807 39.237 400 HA2 GLY 49 HA2 GLY 49 -0.135 3.108 38.139 401 HA3 GLY 49 HA3 GLY 49 0.399 2.139 39.505 402 H GLU 50 H GLU 50 -0.192 -0.083 37.229 403 HA GLU 50 HA GLU 50 2.487 -0.723 36.770 404 HB2 GLU 50 HB2 GLU 50 0.294 -2.126 36.475 405 HB3 GLU 50 HB3 GLU 50 0.359 -1.529 34.823 406 HG2 GLU 50 HG2 GLU 50 2.689 -2.440 34.687 407 HG3 GLU 50 HG3 GLU 50 2.403 -3.208 36.247 408 H LEU 51 H LEU 51 0.306 1.368 35.032 409 HA LEU 51 HA LEU 51 2.422 1.880 33.046 410 HB2 LEU 51 HB2 LEU 51 0.166 0.933 32.286 411 HB3 LEU 51 HB3 LEU 51 -0.484 2.528 32.660 412 HG LEU 51 HG LEU 51 1.827 2.235 30.777 413 HD11 LEU 51 HD11 LEU 51 -0.257 2.446 29.090 414 HD12 LEU 51 HD12 LEU 51 -0.969 1.418 30.333 415 HD13 LEU 51 HD13 LEU 51 0.509 0.915 29.513 416 HD21 LEU 51 HD21 LEU 51 -0.244 4.285 31.423 417 HD22 LEU 51 HD22 LEU 51 0.476 4.251 29.813 418 HD23 LEU 51 HD23 LEU 51 1.500 4.467 31.233 419 H GLU 52 H GLU 52 0.017 3.318 35.177 420 HA GLU 52 HA GLU 52 0.626 6.019 34.482 421 HB2 GLU 52 HB2 GLU 52 -1.536 5.528 35.408 422 HB3 GLU 52 HB3 GLU 52 -0.816 4.810 36.842 423 HG2 GLU 52 HG2 GLU 52 -1.757 7.074 37.199 424 HG3 GLU 52 HG3 GLU 52 -0.049 6.930 37.611 425 H GLY 53 H GLY 53 1.342 4.063 37.381 426 HA2 GLY 53 HA2 GLY 53 3.135 6.031 38.444 427 HA3 GLY 53 HA3 GLY 53 2.888 4.405 39.062 428 H LEU 54 H LEU 54 3.703 2.713 37.259 429 HA LEU 54 HA LEU 54 6.523 2.996 37.241 430 HB2 LEU 54 HB2 LEU 54 4.596 1.014 36.104 431 HB3 LEU 54 HB3 LEU 54 6.299 0.942 35.657 432 HG LEU 54 HG LEU 54 6.234 1.087 38.464 433 HD11 LEU 54 HD11 LEU 54 4.795 -0.649 39.167 434 HD12 LEU 54 HD12 LEU 54 4.396 -1.093 37.507 435 HD13 LEU 54 HD13 LEU 54 3.814 0.432 38.176 436 HD21 LEU 54 HD21 LEU 54 7.588 -0.724 38.300 437 HD22 LEU 54 HD22 LEU 54 7.625 -0.231 36.607 438 HD23 LEU 54 HD23 LEU 54 6.553 -1.534 37.124 439 H ILE 55 H ILE 55 7.432 2.080 34.853 440 HA ILE 55 HA ILE 55 6.622 4.167 32.936 441 HB ILE 55 HB ILE 55 9.004 4.160 32.145 442 HG12 ILE 55 HG12 ILE 55 9.369 2.556 34.680 443 HG13 ILE 55 HG13 ILE 55 9.780 2.067 33.040 444 HG21 ILE 55 HG21 ILE 55 7.967 5.854 33.709 445 HG22 ILE 55 HG22 ILE 55 8.765 4.993 35.024 446 HG23 ILE 55 HG23 ILE 55 9.726 5.740 33.748 447 HD11 ILE 55 HD11 ILE 55 11.201 3.905 34.888 448 HD12 ILE 55 HD12 ILE 55 11.835 2.638 33.837 449 HD13 ILE 55 HD13 ILE 55 11.329 4.182 33.152 450 HA PRO 56 HA PRO 56 6.158 1.081 29.852 451 HB2 PRO 56 HB2 PRO 56 7.101 2.334 27.637 452 HB3 PRO 56 HB3 PRO 56 5.565 2.760 28.401 453 HG2 PRO 56 HG2 PRO 56 8.236 4.091 28.645 454 HG3 PRO 56 HG3 PRO 56 6.632 4.826 28.457 455 HD2 PRO 56 HD2 PRO 56 7.887 4.660 30.850 456 HD3 PRO 56 HD3 PRO 56 6.121 4.583 30.691 457 H VAL 57 H VAL 57 9.337 2.659 29.863 458 HA VAL 57 HA VAL 57 10.703 0.699 28.373 459 HB VAL 57 HB VAL 57 11.904 2.451 30.516 460 HG11 VAL 57 HG11 VAL 57 13.622 1.075 29.913 461 HG12 VAL 57 HG12 VAL 57 12.979 0.797 28.293 462 HG13 VAL 57 HG13 VAL 57 13.794 2.315 28.671 463 HG21 VAL 57 HG21 VAL 57 11.245 3.072 27.643 464 HG22 VAL 57 HG22 VAL 57 10.662 3.901 29.087 465 HG23 VAL 57 HG23 VAL 57 12.358 4.030 28.620 466 H ASP 58 H ASP 58 9.540 0.702 31.590 467 HA ASP 58 HA ASP 58 11.344 -1.445 32.416 468 HB2 ASP 58 HB2 ASP 58 10.763 0.511 33.934 469 HB3 ASP 58 HB3 ASP 58 9.149 -0.185 34.059 470 H LEU 59 H LEU 59 7.826 -0.845 32.508 471 HA LEU 59 HA LEU 59 7.032 -3.456 33.013 472 HB2 LEU 59 HB2 LEU 59 5.055 -2.465 33.042 473 HB3 LEU 59 HB3 LEU 59 5.796 -1.005 32.392 474 HG LEU 59 HG LEU 59 4.853 -3.199 30.577 475 HD11 LEU 59 HD11 LEU 59 2.727 -1.979 30.357 476 HD12 LEU 59 HD12 LEU 59 3.201 -0.943 31.703 477 HD13 LEU 59 HD13 LEU 59 2.946 -2.668 31.966 478 HD21 LEU 59 HD21 LEU 59 6.222 -0.831 30.168 479 HD22 LEU 59 HD22 LEU 59 4.556 -0.435 29.749 480 HD23 LEU 59 HD23 LEU 59 5.373 -1.775 28.945 481 H ALA 60 H ALA 60 7.793 -1.881 29.958 482 HA ALA 60 HA ALA 60 6.851 -3.879 28.225 483 HB1 ALA 60 HB1 ALA 60 9.098 -1.904 27.851 484 HB2 ALA 60 HB2 ALA 60 8.386 -2.880 26.566 485 HB3 ALA 60 HB3 ALA 60 7.406 -1.679 27.406 486 H GLU 61 H GLU 61 10.001 -3.424 29.780 487 HA GLU 61 HA GLU 61 11.425 -5.440 28.507 488 HB2 GLU 61 HB2 GLU 61 11.612 -4.303 31.290 489 HB3 GLU 61 HB3 GLU 61 12.720 -5.543 30.719 490 HG2 GLU 61 HG2 GLU 61 12.330 -3.023 29.162 491 HG3 GLU 61 HG3 GLU 61 13.405 -3.064 30.559 492 H LEU 62 H LEU 62 9.079 -5.626 31.099 493 HA LEU 62 HA LEU 62 9.631 -8.330 31.817 494 HB2 LEU 62 HB2 LEU 62 8.570 -6.933 33.422 495 HB3 LEU 62 HB3 LEU 62 7.276 -6.520 32.298 496 HG LEU 62 HG LEU 62 6.694 -8.114 34.181 497 HD11 LEU 62 HD11 LEU 62 4.992 -8.817 32.917 498 HD12 LEU 62 HD12 LEU 62 6.057 -9.620 31.763 499 HD13 LEU 62 HD13 LEU 62 5.752 -7.889 31.624 500 HD21 LEU 62 HD21 LEU 62 7.315 -10.417 33.962 501 HD22 LEU 62 HD22 LEU 62 8.788 -9.447 33.991 502 HD23 LEU 62 HD23 LEU 62 8.185 -10.090 32.462 503 H LEU 63 H LEU 63 7.191 -6.773 29.764 504 HA LEU 63 HA LEU 63 5.729 -9.054 29.090 505 HB2 LEU 63 HB2 LEU 63 4.988 -6.772 28.618 506 HB3 LEU 63 HB3 LEU 63 6.270 -6.600 27.422 507 HG LEU 63 HG LEU 63 5.214 -8.192 25.971 508 HD11 LEU 63 HD11 LEU 63 3.200 -8.576 28.181 509 HD12 LEU 63 HD12 LEU 63 4.388 -9.756 27.628 510 HD13 LEU 63 HD13 LEU 63 3.079 -9.253 26.557 511 HD21 LEU 63 HD21 LEU 63 2.895 -6.555 26.890 512 HD22 LEU 63 HD22 LEU 63 3.463 -6.886 25.253 513 HD23 LEU 63 HD23 LEU 63 4.337 -5.746 26.276 514 H ILE 64 H ILE 64 8.436 -7.526 27.351 515 HA ILE 64 HA ILE 64 8.598 -9.374 25.259 516 HB ILE 64 HB ILE 64 10.863 -8.573 24.888 517 HG12 ILE 64 HG12 ILE 64 10.604 -7.057 27.490 518 HG13 ILE 64 HG13 ILE 64 11.492 -8.568 27.328 519 HG21 ILE 64 HG21 ILE 64 10.349 -6.338 24.407 520 HG22 ILE 64 HG22 ILE 64 8.793 -7.166 24.390 521 HG23 ILE 64 HG23 ILE 64 9.262 -6.199 25.789 522 HD11 ILE 64 HD11 ILE 64 12.638 -6.172 27.139 523 HD12 ILE 64 HD12 ILE 64 13.224 -7.589 26.267 524 HD13 ILE 64 HD13 ILE 64 12.202 -6.409 25.447 525 H SER 65 H SER 65 9.727 -9.533 28.546 526 HA SER 65 HA SER 65 11.506 -11.748 28.111 527 HB2 SER 65 HB2 SER 65 11.899 -10.173 29.952 528 HB3 SER 65 HB3 SER 65 10.359 -10.629 30.681 529 HG SER 65 HG SER 65 11.658 -11.973 31.701 530 H LYS 66 H LYS 66 8.143 -11.332 28.776 531 HA LYS 66 HA LYS 66 7.426 -13.670 30.035 532 HB2 LYS 66 HB2 LYS 66 5.772 -11.994 29.608 533 HB3 LYS 66 HB3 LYS 66 6.003 -12.123 27.870 534 HG2 LYS 66 HG2 LYS 66 3.923 -13.192 28.773 535 HG3 LYS 66 HG3 LYS 66 4.950 -14.239 27.791 536 HD2 LYS 66 HD2 LYS 66 5.892 -15.228 29.812 537 HD3 LYS 66 HD3 LYS 66 4.905 -14.157 30.809 538 HE2 LYS 66 HE2 LYS 66 3.077 -15.428 30.561 539 HE3 LYS 66 HE3 LYS 66 3.368 -15.669 28.839 540 HZ1 LYS 66 HZ1 LYS 66 4.934 -17.399 29.345 541 HZ2 LYS 66 HZ2 LYS 66 3.475 -17.739 30.131 542 HZ3 LYS 66 HZ3 LYS 66 4.784 -17.122 31.007 543 H TYR 67 H TYR 67 7.315 -13.218 26.496 544 HA TYR 67 HA TYR 67 8.114 -16.033 26.199 545 HB2 TYR 67 HB2 TYR 67 5.589 -14.913 25.525 546 HB3 TYR 67 HB3 TYR 67 6.421 -15.289 24.021 547 HD1 TYR 67 HD2 TYR 67 5.959 -16.907 27.367 548 HD2 TYR 67 HD1 TYR 67 5.934 -17.354 23.135 549 HE1 TYR 67 HE2 TYR 67 5.343 -19.274 27.626 550 HE2 TYR 67 HE1 TYR 67 5.316 -19.722 23.383 551 HH TYR 67 HH TYR 67 5.210 -21.273 26.532 552 H GLY 68 H GLY 68 7.898 -12.824 24.737 553 HA2 GLY 68 HA2 GLY 68 10.474 -12.821 23.693 554 HA3 GLY 68 HA3 GLY 68 9.422 -13.426 22.422 555 H GLU 69 H GLU 69 11.010 -10.906 22.702 556 HA GLU 69 HA GLU 69 9.303 -8.713 23.105 557 HB2 GLU 69 HB2 GLU 69 10.985 -7.436 21.786 558 HB3 GLU 69 HB3 GLU 69 11.687 -8.396 23.081 559 HG2 GLU 69 HG2 GLU 69 12.283 -10.129 21.432 560 HG3 GLU 69 HG3 GLU 69 11.655 -9.091 20.153 561 H LYS 70 H LYS 70 9.739 -10.845 20.401 562 HA LYS 70 HA LYS 70 8.701 -9.258 18.341 563 HB2 LYS 70 HB2 LYS 70 9.207 -12.112 18.794 564 HB3 LYS 70 HB3 LYS 70 7.881 -11.795 17.683 565 HG2 LYS 70 HG2 LYS 70 9.776 -11.977 16.330 566 HG3 LYS 70 HG3 LYS 70 9.483 -10.242 16.462 567 HD2 LYS 70 HD2 LYS 70 11.196 -11.191 18.591 568 HD3 LYS 70 HD3 LYS 70 11.861 -11.586 17.004 569 HE2 LYS 70 HE2 LYS 70 10.831 -8.839 17.632 570 HE3 LYS 70 HE3 LYS 70 12.473 -9.321 18.057 571 HZ1 LYS 70 HZ1 LYS 70 13.011 -9.664 15.807 572 HZ2 LYS 70 HZ2 LYS 70 12.194 -8.184 15.851 573 HZ3 LYS 70 HZ3 LYS 70 11.397 -9.573 15.309 574 H GLU 71 H GLU 71 6.891 -12.045 19.559 575 HA GLU 71 HA GLU 71 4.389 -11.186 18.810 576 HB2 GLU 71 HB2 GLU 71 3.531 -12.702 20.645 577 HB3 GLU 71 HB3 GLU 71 4.644 -13.440 19.502 578 HG2 GLU 71 HG2 GLU 71 6.476 -13.062 21.144 579 HG3 GLU 71 HG3 GLU 71 5.258 -12.515 22.296 580 H ALA 72 H ALA 72 6.290 -10.183 21.529 581 HA ALA 72 HA ALA 72 4.449 -9.213 23.313 582 HB1 ALA 72 HB1 ALA 72 6.473 -7.243 23.108 583 HB2 ALA 72 HB2 ALA 72 6.325 -8.546 24.288 584 HB3 ALA 72 HB3 ALA 72 7.214 -8.812 22.789 585 H VAL 73 H VAL 73 5.956 -7.203 20.774 586 HA VAL 73 HA VAL 73 4.229 -5.025 21.052 587 HB VAL 73 HB VAL 73 5.987 -5.966 18.815 588 HG11 VAL 73 HG11 VAL 73 5.431 -3.763 17.688 589 HG12 VAL 73 HG12 VAL 73 4.209 -5.032 17.576 590 HG13 VAL 73 HG13 VAL 73 4.004 -3.707 18.723 591 HG21 VAL 73 HG21 VAL 73 5.987 -3.430 20.445 592 HG22 VAL 73 HG22 VAL 73 6.939 -4.865 20.824 593 HG23 VAL 73 HG23 VAL 73 7.241 -3.975 19.332 594 H LYS 74 H LYS 74 4.004 -7.898 19.014 595 HA LYS 74 HA LYS 74 1.799 -7.103 17.467 596 HB2 LYS 74 HB2 LYS 74 3.033 -8.980 16.719 597 HB3 LYS 74 HB3 LYS 74 2.868 -9.804 18.264 598 HG2 LYS 74 HG2 LYS 74 0.374 -9.179 16.801 599 HG3 LYS 74 HG3 LYS 74 1.415 -10.436 16.130 600 HD2 LYS 74 HD2 LYS 74 1.055 -10.675 19.011 601 HD3 LYS 74 HD3 LYS 74 -0.464 -10.775 18.118 602 HE2 LYS 74 HE2 LYS 74 0.021 -12.896 17.664 603 HE3 LYS 74 HE3 LYS 74 1.362 -12.325 16.673 604 HZ1 LYS 74 HZ1 LYS 74 1.424 -13.681 19.172 605 HZ2 LYS 74 HZ2 LYS 74 2.283 -12.226 19.257 606 HZ3 LYS 74 HZ3 LYS 74 2.686 -13.379 18.086 607 H VAL 75 H VAL 75 2.031 -8.548 20.655 608 HA VAL 75 HA VAL 75 -0.728 -9.193 20.918 609 HB VAL 75 HB VAL 75 1.388 -8.748 23.027 610 HG11 VAL 75 HG11 VAL 75 -0.460 -8.523 24.331 611 HG12 VAL 75 HG12 VAL 75 -1.495 -9.413 23.212 612 HG13 VAL 75 HG13 VAL 75 -0.391 -10.284 24.276 613 HG21 VAL 75 HG21 VAL 75 1.075 -10.809 21.187 614 HG22 VAL 75 HG22 VAL 75 2.059 -10.839 22.651 615 HG23 VAL 75 HG23 VAL 75 0.403 -11.445 22.689 616 H VAL 76 H VAL 76 1.036 -6.268 21.123 617 HA VAL 76 HA VAL 76 -0.822 -4.897 22.849 618 HB VAL 76 HB VAL 76 1.662 -4.170 21.399 619 HG11 VAL 76 HG11 VAL 76 1.160 -1.728 21.970 620 HG12 VAL 76 HG12 VAL 76 0.388 -2.405 20.534 621 HG13 VAL 76 HG13 VAL 76 -0.532 -2.221 22.028 622 HG21 VAL 76 HG21 VAL 76 1.920 -2.922 23.657 623 HG22 VAL 76 HG22 VAL 76 0.538 -3.896 24.160 624 HG23 VAL 76 HG23 VAL 76 2.025 -4.683 23.631 625 H LEU 77 H LEU 77 0.017 -4.714 19.391 626 HA LEU 77 HA LEU 77 -2.018 -2.866 18.727 627 HB2 LEU 77 HB2 LEU 77 -1.562 -3.520 16.401 628 HB3 LEU 77 HB3 LEU 77 -0.098 -3.141 17.306 629 HG LEU 77 HG LEU 77 -0.209 -5.833 17.618 630 HD11 LEU 77 HD11 LEU 77 -0.582 -6.254 14.926 631 HD12 LEU 77 HD12 LEU 77 -1.906 -5.170 15.352 632 HD13 LEU 77 HD13 LEU 77 -1.706 -6.696 16.211 633 HD21 LEU 77 HD21 LEU 77 1.730 -4.513 16.936 634 HD22 LEU 77 HD22 LEU 77 1.044 -4.331 15.321 635 HD23 LEU 77 HD23 LEU 77 1.523 -5.926 15.902 636 H LYS 78 H LYS 78 -1.820 -6.400 18.406 637 HA LYS 78 HA LYS 78 -4.247 -6.886 17.179 638 HB2 LYS 78 HB2 LYS 78 -2.972 -8.791 17.363 639 HB3 LYS 78 HB3 LYS 78 -2.496 -8.443 19.021 640 HG2 LYS 78 HG2 LYS 78 -3.946 -10.401 18.879 641 HG3 LYS 78 HG3 LYS 78 -4.690 -9.104 19.817 642 HD2 LYS 78 HD2 LYS 78 -5.537 -8.610 17.232 643 HD3 LYS 78 HD3 LYS 78 -5.577 -10.371 17.353 644 HE2 LYS 78 HE2 LYS 78 -6.693 -8.841 19.629 645 HE3 LYS 78 HE3 LYS 78 -7.607 -8.806 18.122 646 HZ1 LYS 78 HZ1 LYS 78 -8.151 -10.639 19.763 647 HZ2 LYS 78 HZ2 LYS 78 -6.679 -11.345 19.322 648 HZ3 LYS 78 HZ3 LYS 78 -7.886 -11.112 18.160 649 H GLY 79 H GLY 79 -3.571 -6.621 20.663 650 HA2 GLY 79 HA2 GLY 79 -6.324 -6.967 21.395 651 HA3 GLY 79 HA3 GLY 79 -5.014 -6.483 22.462 652 H LEU 80 H LEU 80 -4.354 -4.266 20.508 653 HA LEU 80 HA LEU 80 -5.963 -2.266 21.771 654 HB2 LEU 80 HB2 LEU 80 -3.554 -2.381 20.193 655 HB3 LEU 80 HB3 LEU 80 -4.611 -1.092 19.622 656 HG LEU 80 HG LEU 80 -4.664 -0.204 21.957 657 HD11 LEU 80 HD11 LEU 80 -3.737 -1.279 23.666 658 HD12 LEU 80 HD12 LEU 80 -2.228 -1.521 22.787 659 HD13 LEU 80 HD13 LEU 80 -3.554 -2.666 22.592 660 HD21 LEU 80 HD21 LEU 80 -1.843 -0.046 21.565 661 HD22 LEU 80 HD22 LEU 80 -3.080 1.164 21.225 662 HD23 LEU 80 HD23 LEU 80 -2.644 -0.022 19.994 663 H LYS 81 H LYS 81 -5.993 -3.916 18.705 664 HA LYS 81 HA LYS 81 -7.491 -2.194 17.140 665 HB2 LYS 81 HB2 LYS 81 -7.227 -5.172 17.257 666 HB3 LYS 81 HB3 LYS 81 -8.438 -4.461 16.199 667 HG2 LYS 81 HG2 LYS 81 -6.078 -3.037 15.715 668 HG3 LYS 81 HG3 LYS 81 -5.613 -4.737 15.805 669 HD2 LYS 81 HD2 LYS 81 -6.221 -4.745 13.632 670 HD3 LYS 81 HD3 LYS 81 -7.845 -4.924 14.299 671 HE2 LYS 81 HE2 LYS 81 -7.454 -2.203 14.346 672 HE3 LYS 81 HE3 LYS 81 -6.639 -2.689 12.860 673 HZ1 LYS 81 HZ1 LYS 81 -9.443 -2.595 13.457 674 HZ2 LYS 81 HZ2 LYS 81 -8.971 -4.075 12.788 675 HZ3 LYS 81 HZ3 LYS 81 -8.659 -2.634 11.958 676 H VAL 82 H VAL 82 -8.798 -4.922 19.038 677 HA VAL 82 HA VAL 82 -11.493 -4.246 18.730 678 HB VAL 82 HB VAL 82 -10.268 -6.369 19.795 679 HG11 VAL 82 HG11 VAL 82 -9.608 -5.048 21.808 680 HG12 VAL 82 HG12 VAL 82 -11.319 -4.923 22.221 681 HG13 VAL 82 HG13 VAL 82 -10.537 -6.503 22.167 682 HG21 VAL 82 HG21 VAL 82 -13.023 -5.328 19.901 683 HG22 VAL 82 HG22 VAL 82 -12.407 -6.846 19.248 684 HG23 VAL 82 HG23 VAL 82 -12.667 -6.674 20.984 685 H MET 83 H MET 83 -9.131 -2.542 20.332 686 HA MET 83 HA MET 83 -10.984 -1.416 22.307 687 HB2 MET 83 HB2 MET 83 -8.688 -2.177 23.011 688 HB3 MET 83 HB3 MET 83 -8.025 -0.879 22.029 689 HG2 MET 83 HG2 MET 83 -8.112 -0.207 24.338 690 HG3 MET 83 HG3 MET 83 -9.240 0.757 23.387 691 HE1 MET 83 HE1 MET 83 -9.639 -1.522 27.001 692 HE2 MET 83 HE2 MET 83 -8.507 -0.351 26.326 693 HE3 MET 83 HE3 MET 83 -10.011 0.201 27.065 694 H ASN 84 H ASN 84 -9.648 -0.801 19.250 695 HA ASN 84 HA ASN 84 -9.984 0.922 17.790 696 HB2 ASN 84 HB2 ASN 84 -12.068 1.235 19.566 697 HB3 ASN 84 HB3 ASN 84 -11.268 2.802 19.633 698 HD21 ASN 84 HD21 ASN 84 -12.198 4.197 18.339 699 HD22 ASN 84 HD22 ASN 84 -12.835 3.868 16.767 700 H LEU 85 H LEU 85 -7.648 0.696 19.384 701 HA LEU 85 HA LEU 85 -6.934 3.412 20.151 702 HB2 LEU 85 HB2 LEU 85 -5.944 0.731 20.699 703 HB3 LEU 85 HB3 LEU 85 -4.651 1.873 20.336 704 HG LEU 85 HG LEU 85 -4.889 1.842 22.687 705 HD11 LEU 85 HD11 LEU 85 -5.051 4.125 21.280 706 HD12 LEU 85 HD12 LEU 85 -4.963 4.067 23.040 707 HD13 LEU 85 HD13 LEU 85 -6.524 4.254 22.241 708 HD21 LEU 85 HD21 LEU 85 -6.790 1.445 23.782 709 HD22 LEU 85 HD22 LEU 85 -7.502 1.113 22.203 710 HD23 LEU 85 HD23 LEU 85 -7.651 2.719 22.918 711 H LEU 86 H LEU 86 -7.481 2.745 17.347 712 HA LEU 86 HA LEU 86 -5.140 2.486 15.834 713 HB2 LEU 86 HB2 LEU 86 -6.420 3.022 13.984 714 HB3 LEU 86 HB3 LEU 86 -7.605 2.368 15.112 715 HG LEU 86 HG LEU 86 -7.743 5.035 15.659 716 HD11 LEU 86 HD11 LEU 86 -6.613 6.086 14.021 717 HD12 LEU 86 HD12 LEU 86 -8.077 5.774 13.089 718 HD13 LEU 86 HD13 LEU 86 -6.686 4.700 12.932 719 HD21 LEU 86 HD21 LEU 86 -9.372 3.814 13.459 720 HD22 LEU 86 HD22 LEU 86 -9.875 4.933 14.726 721 HD23 LEU 86 HD23 LEU 86 -9.518 3.252 15.124 722 H GLU 87 H GLU 87 -6.061 4.981 17.858 723 HA GLU 87 HA GLU 87 -5.331 7.313 16.571 724 HB2 GLU 87 HB2 GLU 87 -6.307 7.383 18.769 725 HB3 GLU 87 HB3 GLU 87 -4.948 6.504 19.455 726 HG2 GLU 87 HG2 GLU 87 -3.853 8.385 19.833 727 HG3 GLU 87 HG3 GLU 87 -4.004 8.866 18.144 728 H LEU 88 H LEU 88 -3.138 5.986 19.008 729 HA LEU 88 HA LEU 88 -0.854 7.066 17.681 730 HB2 LEU 88 HB2 LEU 88 0.409 6.248 19.494 731 HB3 LEU 88 HB3 LEU 88 -1.133 6.778 20.162 732 HG LEU 88 HG LEU 88 -0.468 4.745 21.246 733 HD11 LEU 88 HD11 LEU 88 -2.870 5.090 20.662 734 HD12 LEU 88 HD12 LEU 88 -2.406 3.403 20.882 735 HD13 LEU 88 HD13 LEU 88 -2.620 4.054 19.257 736 HD21 LEU 88 HD21 LEU 88 -0.643 2.987 18.925 737 HD22 LEU 88 HD22 LEU 88 0.528 3.013 20.244 738 HD23 LEU 88 HD23 LEU 88 0.728 4.095 18.865 739 H VAL 89 H VAL 89 -2.493 4.024 17.632 740 HA VAL 89 HA VAL 89 -0.465 2.290 16.844 741 HB VAL 89 HB VAL 89 -3.407 2.333 16.218 742 HG11 VAL 89 HG11 VAL 89 -2.520 1.242 14.322 743 HG12 VAL 89 HG12 VAL 89 -1.330 0.366 15.288 744 HG13 VAL 89 HG13 VAL 89 -3.042 -0.041 15.413 745 HG21 VAL 89 HG21 VAL 89 -1.745 0.453 17.892 746 HG22 VAL 89 HG22 VAL 89 -2.648 1.830 18.526 747 HG23 VAL 89 HG23 VAL 89 -3.504 0.488 17.766 748 H ASP 90 H ASP 90 -2.088 4.795 15.075 749 HA ASP 90 HA ASP 90 -1.886 4.151 12.462 750 HB2 ASP 90 HB2 ASP 90 -2.578 6.380 13.462 751 HB3 ASP 90 HB3 ASP 90 -0.867 6.798 13.495 752 H GLN 91 H GLN 91 0.810 5.575 14.315 753 HA GLN 91 HA GLN 91 2.683 4.990 12.205 754 HB2 GLN 91 HB2 GLN 91 2.648 6.912 14.065 755 HB3 GLN 91 HB3 GLN 91 3.633 5.733 14.922 756 HG2 GLN 91 HG2 GLN 91 5.174 5.666 13.003 757 HG3 GLN 91 HG3 GLN 91 4.207 6.909 12.212 758 HE21 GLN 91 HE21 GLN 91 3.820 8.877 13.671 759 HE22 GLN 91 HE22 GLN 91 5.213 9.479 14.497 760 H LEU 92 H LEU 92 2.545 4.036 15.643 761 HA LEU 92 HA LEU 92 4.446 2.223 15.925 762 HB2 LEU 92 HB2 LEU 92 2.912 2.501 17.693 763 HB3 LEU 92 HB3 LEU 92 1.560 1.943 16.708 764 HG LEU 92 HG LEU 92 2.459 0.390 18.543 765 HD11 LEU 92 HD11 LEU 92 1.151 -0.062 16.187 766 HD12 LEU 92 HD12 LEU 92 1.406 -1.256 17.459 767 HD13 LEU 92 HD13 LEU 92 2.507 -1.185 16.084 768 HD21 LEU 92 HD21 LEU 92 4.865 0.832 17.508 769 HD22 LEU 92 HD22 LEU 92 4.418 -0.566 16.530 770 HD23 LEU 92 HD23 LEU 92 4.443 -0.693 18.289 771 H SER 93 H SER 93 1.367 1.425 14.324 772 HA SER 93 HA SER 93 2.153 -1.196 13.581 773 HB2 SER 93 HB2 SER 93 0.167 -1.142 12.110 774 HB3 SER 93 HB3 SER 93 -0.206 -0.561 13.732 775 HG SER 93 HG SER 93 -0.787 1.253 12.870 776 H HIS 94 H HIS 94 2.232 1.922 11.925 777 HA HIS 94 HA HIS 94 3.021 0.961 9.395 778 HB2 HIS 94 HB2 HIS 94 2.126 3.257 9.887 779 HB3 HIS 94 HB3 HIS 94 3.692 3.656 10.588 780 HD1 HIS 94 HD1 HIS 94 3.443 1.615 7.455 781 HD2 HIS 94 HD2 HIS 94 4.297 5.515 8.605 782 HE1 HIS 94 HE1 HIS 94 4.375 2.732 5.403 783 H ILE 95 H ILE 95 4.630 0.739 12.256 784 HA ILE 95 HA ILE 95 7.266 0.789 10.937 785 HB ILE 95 HB ILE 95 6.833 1.009 13.909 786 HG12 ILE 95 HG12 ILE 95 7.209 3.264 11.926 787 HG13 ILE 95 HG13 ILE 95 5.711 2.896 12.775 788 HG21 ILE 95 HG21 ILE 95 9.124 2.015 13.781 789 HG22 ILE 95 HG22 ILE 95 9.037 0.311 13.340 790 HG23 ILE 95 HG23 ILE 95 9.167 1.541 12.083 791 HD11 ILE 95 HD11 ILE 95 6.384 4.341 14.314 792 HD12 ILE 95 HD12 ILE 95 7.580 3.137 14.795 793 HD13 ILE 95 HD13 ILE 95 8.016 4.403 13.648 794 H CYS 96 H CYS 96 4.940 -1.097 12.605 795 HA CYS 96 HA CYS 96 6.861 -3.247 13.116 796 HB2 CYS 96 HB2 CYS 96 5.043 -2.418 14.797 797 HB3 CYS 96 HB3 CYS 96 3.948 -3.390 13.821 798 HG CYS 96 HG CYS 96 6.777 -4.859 14.971 799 H LEU 97 H LEU 97 3.966 -2.496 11.258 800 HA LEU 97 HA LEU 97 3.106 -3.432 9.368 801 HB2 LEU 97 HB2 LEU 97 5.848 -4.129 9.316 802 HB3 LEU 97 HB3 LEU 97 4.933 -5.557 8.839 803 HG LEU 97 HG LEU 97 3.771 -4.035 7.147 804 HD11 LEU 97 HD11 LEU 97 5.526 -2.183 6.483 805 HD12 LEU 97 HD12 LEU 97 5.884 -2.235 8.209 806 HD13 LEU 97 HD13 LEU 97 4.250 -1.864 7.658 807 HD21 LEU 97 HD21 LEU 97 5.361 -4.539 5.514 808 HD22 LEU 97 HD22 LEU 97 5.635 -5.756 6.762 809 HD23 LEU 97 HD23 LEU 97 6.709 -4.362 6.638 810 H HIS 98 H HIS 98 3.232 -4.780 12.244 811 HA HIS 98 HA HIS 98 2.366 -7.467 11.578 812 HB2 HIS 98 HB2 HIS 98 3.352 -6.114 13.928 813 HB3 HIS 98 HB3 HIS 98 1.856 -6.966 14.299 814 HD1 HIS 98 HD1 HIS 98 5.301 -7.515 14.461 815 HD2 HIS 98 HD2 HIS 98 2.126 -9.786 13.039 816 HE1 HIS 98 HE1 HIS 98 6.129 -9.890 14.440 817 H ASP 99 H ASP 99 0.970 -4.386 12.203 818 HA ASP 99 HA ASP 99 -1.509 -4.977 13.248 819 HB2 ASP 99 HB2 ASP 99 -0.795 -2.687 12.888 820 HB3 ASP 99 HB3 ASP 99 -0.797 -2.926 11.142 821 H TYR 100 H TYR 100 -0.238 -5.827 10.178 822 HA TYR 100 HA TYR 100 -2.686 -6.119 8.766 823 HB2 TYR 100 HB2 TYR 100 -1.417 -6.971 7.034 824 HB3 TYR 100 HB3 TYR 100 -0.201 -6.045 7.908 825 HD1 TYR 100 HD1 TYR 100 0.771 -7.612 10.003 826 HD2 TYR 100 HD2 TYR 100 -0.600 -8.953 6.205 827 HE1 TYR 100 HE1 TYR 100 2.157 -9.632 10.223 828 HE2 TYR 100 HE2 TYR 100 0.781 -10.977 6.415 829 HH TYR 100 HH TYR 100 2.515 -11.720 9.379 830 H ARG 101 H ARG 101 -1.595 -7.715 11.421 831 HA ARG 101 HA ARG 101 -1.935 -10.410 11.009 832 HB2 ARG 101 HB2 ARG 101 -1.572 -8.823 13.202 833 HB3 ARG 101 HB3 ARG 101 -3.204 -9.419 13.472 834 HG2 ARG 101 HG2 ARG 101 -2.411 -11.713 13.303 835 HG3 ARG 101 HG3 ARG 101 -0.775 -11.132 12.989 836 HD2 ARG 101 HD2 ARG 101 -0.431 -10.511 15.154 837 HD3 ARG 101 HD3 ARG 101 -2.133 -10.142 15.431 838 HE ARG 101 HE ARG 101 -0.812 -12.649 15.877 839 HH11 ARG 101 HH11 ARG 101 -3.860 -11.121 15.174 840 HH12 ARG 101 HH12 ARG 101 -4.808 -12.412 15.834 841 HH21 ARG 101 HH21 ARG 101 -2.049 -14.355 16.749 842 HH22 ARG 101 HH22 ARG 101 -3.777 -14.251 16.730 843 H GLU 102 H GLU 102 -3.751 -11.832 11.521 844 HA GLU 102 HA GLU 102 -6.151 -10.926 10.206 845 HB2 GLU 102 HB2 GLU 102 -5.520 -13.591 11.486 846 HB3 GLU 102 HB3 GLU 102 -6.908 -13.248 10.464 847 HG2 GLU 102 HG2 GLU 102 -5.365 -12.732 8.606 848 HG3 GLU 102 HG3 GLU 102 -4.015 -13.198 9.639
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