NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
624635 | 5wpx | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 12.164 -2.234 -1.111 2 H2 MET 1 H2 MET 1 11.056 -2.303 0.175 3 H3 MET 1 H3 MET 1 10.550 -2.662 -1.407 4 HA MET 1 HA MET 1 12.669 -4.244 -0.097 5 HB2 MET 1 HB3 MET 1 9.668 -4.664 0.064 6 HB3 MET 1 HB2 MET 1 10.879 -5.842 0.571 7 HG2 MET 1 HG3 MET 1 11.794 -4.158 2.168 8 HG3 MET 1 HG2 MET 1 10.486 -3.063 1.718 9 HE1 MET 1 HE1 MET 1 9.510 -2.829 4.153 10 HE2 MET 1 HE2 MET 1 11.008 -3.666 4.547 11 HE3 MET 1 HE3 MET 1 9.494 -4.197 5.275 12 H GLN 2 H GLN 2 10.828 -6.528 -1.030 13 HA GLN 2 HA GLN 2 12.069 -7.012 -3.538 14 HB2 GLN 2 HB3 GLN 2 9.481 -8.127 -2.412 15 HB3 GLN 2 HB2 GLN 2 10.329 -8.781 -3.815 16 HG2 GLN 2 HG3 GLN 2 12.313 -9.224 -2.436 17 HG3 GLN 2 HG2 GLN 2 11.505 -8.527 -1.031 18 HE21 GLN 2 HE21 GLN 2 12.388 -11.237 -0.984 19 HE22 GLN 2 HE22 GLN 2 11.028 -12.253 -0.965 20 H HIS 3 H HIS 3 8.989 -5.484 -2.719 21 HA HIS 3 HA HIS 3 8.893 -4.284 -5.407 22 HB2 HIS 3 HB3 HIS 3 7.397 -6.625 -4.823 23 HB3 HIS 3 HB2 HIS 3 6.253 -5.285 -4.831 24 HD1 HIS 3 HD1 HIS 3 5.203 -5.396 -7.109 25 HD2 HIS 3 HD2 HIS 3 9.356 -5.747 -7.293 26 HE1 HIS 3 HE1 HIS 3 5.817 -5.392 -9.569 27 HE2 HIS 3 HE2 HIS 3 8.342 -5.608 -9.690 28 H ALA 4 H ALA 4 9.187 -3.421 -2.578 29 HA ALA 4 HA ALA 4 6.781 -2.275 -1.582 30 HB1 ALA 4 HB1 ALA 4 9.592 -1.180 -1.286 31 HB2 ALA 4 HB2 ALA 4 8.916 -2.474 -0.296 32 HB3 ALA 4 HB3 ALA 4 8.221 -0.854 -0.226 33 H SER 5 H SER 5 9.075 -1.132 -4.016 34 HA SER 5 HA SER 5 8.179 1.568 -4.150 35 HB2 SER 5 HB3 SER 5 9.211 1.630 -6.344 36 HB3 SER 5 HB2 SER 5 10.220 0.642 -5.292 37 HG SER 5 HG SER 5 9.383 -0.096 -7.559 38 H VAL 6 H VAL 6 6.912 -1.391 -5.616 39 HA VAL 6 HA VAL 6 5.005 -0.076 -7.330 40 HB VAL 6 HB VAL 6 5.012 -2.849 -6.120 41 HG11 VAL 6 HG11 VAL 6 2.816 -2.810 -6.732 42 HG12 VAL 6 HG12 VAL 6 3.460 -2.999 -8.363 43 HG13 VAL 6 HG13 VAL 6 3.032 -1.397 -7.764 44 HG21 VAL 6 HG21 VAL 6 5.361 -2.980 -8.882 45 HG22 VAL 6 HG22 VAL 6 6.630 -3.161 -7.670 46 HG23 VAL 6 HG23 VAL 6 6.329 -1.586 -8.402 47 H ILE 7 H ILE 7 4.895 -1.253 -3.998 48 HA ILE 7 HA ILE 7 2.108 -0.855 -3.563 49 HB ILE 7 HB ILE 7 4.413 -0.628 -1.605 50 HG12 ILE 7 HG13 ILE 7 2.592 -2.972 -2.244 51 HG13 ILE 7 HG12 ILE 7 4.227 -2.788 -2.881 52 HG21 ILE 7 HG21 ILE 7 2.402 0.363 -0.667 53 HG22 ILE 7 HG22 ILE 7 2.627 -1.227 0.063 54 HG23 ILE 7 HG23 ILE 7 1.427 -1.003 -1.210 55 HD11 ILE 7 HD11 ILE 7 4.872 -2.485 -0.351 56 HD12 ILE 7 HD12 ILE 7 4.615 -4.104 -0.997 57 HD13 ILE 7 HD13 ILE 7 3.344 -3.316 -0.061 58 H ALA 8 H ALA 8 4.869 1.317 -2.890 59 HA ALA 8 HA ALA 8 3.260 3.533 -2.030 60 HB1 ALA 8 HB1 ALA 8 6.071 3.248 -3.065 61 HB2 ALA 8 HB2 ALA 8 5.527 3.732 -1.459 62 HB3 ALA 8 HB3 ALA 8 5.380 4.851 -2.815 63 H GLN 9 H GLN 9 4.657 2.680 -5.179 64 HA GLN 9 HA GLN 9 3.637 4.953 -6.599 65 HB2 GLN 9 HB3 GLN 9 5.438 3.448 -7.448 66 HB3 GLN 9 HB2 GLN 9 4.241 2.170 -7.647 67 HG2 GLN 9 HG3 GLN 9 3.084 4.332 -8.948 68 HG3 GLN 9 HG2 GLN 9 4.792 4.478 -9.356 69 HE21 GLN 9 HE21 GLN 9 2.332 1.842 -9.081 70 HE22 GLN 9 HE22 GLN 9 2.844 1.026 -10.479 71 H PHE 10 H PHE 10 2.391 1.676 -6.118 72 HA PHE 10 HA PHE 10 0.025 1.982 -7.694 73 HB2 PHE 10 HB3 PHE 10 0.979 -0.199 -6.931 74 HB3 PHE 10 HB2 PHE 10 0.461 0.187 -5.291 75 HD1 PHE 10 HD1 PHE 10 -1.850 0.051 -4.637 76 HD2 PHE 10 HD2 PHE 10 -0.694 -0.557 -8.728 77 HE1 PHE 10 HE1 PHE 10 -4.111 -0.834 -5.145 78 HE2 PHE 10 HE2 PHE 10 -2.954 -1.441 -9.237 79 HZ PHE 10 HZ PHE 10 -4.660 -1.582 -7.444 80 H VAL 11 H VAL 11 0.593 2.327 -4.200 81 HA VAL 11 HA VAL 11 -2.114 3.055 -3.562 82 HB VAL 11 HB VAL 11 0.496 3.596 -2.121 83 HG11 VAL 11 HG11 VAL 11 -1.020 5.183 -1.239 84 HG12 VAL 11 HG12 VAL 11 -1.138 3.814 -0.133 85 HG13 VAL 11 HG13 VAL 11 -2.383 4.070 -1.356 86 HG21 VAL 11 HG21 VAL 11 -1.288 1.730 -0.850 87 HG22 VAL 11 HG22 VAL 11 0.343 1.449 -1.460 88 HG23 VAL 11 HG23 VAL 11 -1.044 1.242 -2.528 89 H VAL 12 H VAL 12 0.817 5.019 -4.085 90 HA VAL 12 HA VAL 12 -0.462 7.550 -3.695 91 HB VAL 12 HB VAL 12 2.027 6.768 -5.204 92 HG11 VAL 12 HG11 VAL 12 2.438 9.353 -4.710 93 HG12 VAL 12 HG12 VAL 12 0.678 9.405 -4.797 94 HG13 VAL 12 HG13 VAL 12 1.611 8.828 -6.177 95 HG21 VAL 12 HG21 VAL 12 3.061 6.877 -3.196 96 HG22 VAL 12 HG22 VAL 12 1.450 6.878 -2.476 97 HG23 VAL 12 HG23 VAL 12 2.273 8.405 -2.801 98 H GLU 13 H GLU 13 -0.054 5.519 -6.550 99 HA GLU 13 HA GLU 13 -0.679 7.350 -8.578 100 HB2 GLU 13 HB3 GLU 13 -0.056 4.964 -8.950 101 HB3 GLU 13 HB2 GLU 13 -1.666 4.500 -8.417 102 HG2 GLU 13 HG3 GLU 13 -2.623 5.931 -10.237 103 HG3 GLU 13 HG2 GLU 13 -0.978 6.205 -10.810 104 H GLU 14 H GLU 14 -2.867 5.697 -6.348 105 HA GLU 14 HA GLU 14 -5.297 6.514 -7.638 106 HB2 GLU 14 HB3 GLU 14 -4.738 5.778 -4.754 107 HB3 GLU 14 HB2 GLU 14 -6.351 5.982 -5.436 108 HG2 GLU 14 HG3 GLU 14 -5.846 4.213 -7.106 109 HG3 GLU 14 HG2 GLU 14 -4.268 3.978 -6.354 110 H PHE 15 H PHE 15 -3.235 8.080 -5.221 111 HA PHE 15 HA PHE 15 -5.211 10.272 -4.946 112 HB2 PHE 15 HB3 PHE 15 -2.520 9.931 -3.594 113 HB3 PHE 15 HB2 PHE 15 -3.781 11.084 -3.152 114 HD1 PHE 15 HD1 PHE 15 -2.688 7.607 -3.028 115 HD2 PHE 15 HD2 PHE 15 -5.931 10.292 -2.194 116 HE1 PHE 15 HE1 PHE 15 -3.762 5.866 -1.634 117 HE2 PHE 15 HE2 PHE 15 -7.009 8.553 -0.792 118 HZ PHE 15 HZ PHE 15 -5.927 6.341 -0.511 119 H LEU 16 H LEU 16 -1.656 10.209 -5.462 120 HA LEU 16 HA LEU 16 -2.037 12.512 -7.342 121 HB2 LEU 16 HB3 LEU 16 -0.261 12.157 -5.009 122 HB3 LEU 16 HB2 LEU 16 0.524 12.810 -6.447 123 HG LEU 16 HG LEU 16 -1.231 14.548 -6.609 124 HD11 LEU 16 HD11 LEU 16 -3.191 13.890 -5.639 125 HD12 LEU 16 HD12 LEU 16 -2.497 14.640 -4.202 126 HD13 LEU 16 HD13 LEU 16 -2.377 12.895 -4.432 127 HD21 LEU 16 HD21 LEU 16 -0.211 15.921 -5.064 128 HD22 LEU 16 HD22 LEU 16 0.916 14.566 -4.989 129 HD23 LEU 16 HD23 LEU 16 -0.344 14.734 -3.767 130 HA PRO 17 HA PRO 17 0.212 9.213 -9.627 131 HB2 PRO 17 HB3 PRO 17 -1.395 9.190 -11.818 132 HB3 PRO 17 HB2 PRO 17 -1.767 8.275 -10.348 133 HG2 PRO 17 HG3 PRO 17 -2.967 10.761 -11.367 134 HG3 PRO 17 HG2 PRO 17 -3.674 9.485 -10.369 135 HD2 PRO 17 HD3 PRO 17 -2.722 11.988 -9.458 136 HD3 PRO 17 HD2 PRO 17 -3.174 10.599 -8.450 137 H ASP 18 H ASP 18 -0.810 12.448 -10.473 138 HA ASP 18 HA ASP 18 0.775 12.620 -12.906 139 HB2 ASP 18 HB3 ASP 18 -0.504 14.723 -11.151 140 HB3 ASP 18 HB2 ASP 18 0.306 15.075 -12.673 141 H VAL 19 H VAL 19 1.579 12.428 -9.697 142 HA VAL 19 HA VAL 19 4.073 14.037 -10.072 143 HB VAL 19 HB VAL 19 2.786 13.132 -7.477 144 HG11 VAL 19 HG11 VAL 19 4.384 15.014 -6.653 145 HG12 VAL 19 HG12 VAL 19 5.207 14.778 -8.195 146 HG13 VAL 19 HG13 VAL 19 5.080 13.444 -7.048 147 HG21 VAL 19 HG21 VAL 19 2.247 15.582 -7.242 148 HG22 VAL 19 HG22 VAL 19 1.358 14.783 -8.537 149 HG23 VAL 19 HG23 VAL 19 2.746 15.800 -8.919 150 H ALA 20 H ALA 20 6.048 12.946 -9.788 151 HA ALA 20 HA ALA 20 6.073 10.136 -10.176 152 HB1 ALA 20 HB1 ALA 20 8.136 10.868 -10.776 153 HB2 ALA 20 HB2 ALA 20 8.539 10.660 -9.071 154 HB3 ALA 20 HB3 ALA 20 8.057 12.244 -9.676 155 HA PRO 21 HA PRO 21 5.060 9.212 -5.852 156 HB2 PRO 21 HB3 PRO 21 5.244 6.463 -6.061 157 HB3 PRO 21 HB2 PRO 21 3.800 7.415 -6.456 158 HG2 PRO 21 HG3 PRO 21 5.811 6.202 -8.248 159 HG3 PRO 21 HG2 PRO 21 4.079 6.470 -8.496 160 HD2 PRO 21 HD3 PRO 21 6.051 8.015 -9.624 161 HD3 PRO 21 HD2 PRO 21 4.394 8.589 -9.328 162 H ALA 22 H ALA 22 7.853 7.938 -7.565 163 HA ALA 22 HA ALA 22 9.249 7.021 -5.194 164 HB1 ALA 22 HB1 ALA 22 9.658 6.451 -7.731 165 HB2 ALA 22 HB2 ALA 22 11.032 6.539 -6.628 166 HB3 ALA 22 HB3 ALA 22 10.669 7.895 -7.696 167 H ASP 23 H ASP 23 8.600 10.091 -6.532 168 HA ASP 23 HA ASP 23 10.979 11.379 -5.362 169 HB2 ASP 23 HB3 ASP 23 8.550 12.492 -6.796 170 HB3 ASP 23 HB2 ASP 23 9.883 13.481 -6.201 171 H VAL 24 H VAL 24 8.338 10.099 -4.032 172 HA VAL 24 HA VAL 24 7.789 12.367 -2.183 173 HB VAL 24 HB VAL 24 6.397 9.679 -2.416 174 HG11 VAL 24 HG11 VAL 24 6.271 11.866 -0.509 175 HG12 VAL 24 HG12 VAL 24 5.483 10.289 -0.448 176 HG13 VAL 24 HG13 VAL 24 4.713 11.627 -1.300 177 HG21 VAL 24 HG21 VAL 24 4.603 10.996 -3.533 178 HG22 VAL 24 HG22 VAL 24 6.104 11.008 -4.458 179 HG23 VAL 24 HG23 VAL 24 5.648 12.415 -3.498 180 H ASP 25 H ASP 25 8.430 12.254 -0.040 181 HA ASP 25 HA ASP 25 10.522 10.450 0.684 182 HB2 ASP 25 HB3 ASP 25 8.711 12.166 2.409 183 HB3 ASP 25 HB2 ASP 25 10.143 11.326 3.006 184 H VAL 26 H VAL 26 9.697 8.320 0.265 185 HA VAL 26 HA VAL 26 7.285 7.283 1.393 186 HB VAL 26 HB VAL 26 8.217 5.081 0.917 187 HG11 VAL 26 HG11 VAL 26 8.884 5.432 -1.451 188 HG12 VAL 26 HG12 VAL 26 9.075 7.154 -1.126 189 HG13 VAL 26 HG13 VAL 26 7.482 6.408 -1.013 190 HG21 VAL 26 HG21 VAL 26 10.718 6.522 1.375 191 HG22 VAL 26 HG22 VAL 26 10.767 5.564 -0.105 192 HG23 VAL 26 HG23 VAL 26 10.401 4.788 1.435 193 H ASP 27 H ASP 27 9.884 8.502 3.003 194 HA ASP 27 HA ASP 27 9.899 6.508 5.188 195 HB2 ASP 27 HB3 ASP 27 11.388 9.125 4.808 196 HB3 ASP 27 HB2 ASP 27 11.579 8.069 6.208 197 H LEU 28 H LEU 28 7.788 8.753 4.270 198 HA LEU 28 HA LEU 28 7.360 10.023 6.913 199 HB2 LEU 28 HB3 LEU 28 7.153 11.356 4.806 200 HB3 LEU 28 HB2 LEU 28 5.792 10.341 4.338 201 HG LEU 28 HG LEU 28 5.086 11.075 6.889 202 HD11 LEU 28 HD11 LEU 28 7.056 12.627 6.936 203 HD12 LEU 28 HD12 LEU 28 5.508 13.449 7.135 204 HD13 LEU 28 HD13 LEU 28 6.342 13.502 5.581 205 HD21 LEU 28 HD21 LEU 28 3.594 12.745 5.702 206 HD22 LEU 28 HD22 LEU 28 3.561 11.117 5.022 207 HD23 LEU 28 HD23 LEU 28 4.490 12.389 4.224 208 H ASP 29 H ASP 29 5.693 9.425 8.270 209 HA ASP 29 HA ASP 29 4.457 6.876 7.944 210 HB2 ASP 29 HB3 ASP 29 3.670 9.244 9.673 211 HB3 ASP 29 HB2 ASP 29 2.947 7.640 9.806 212 H LEU 30 H LEU 30 2.839 6.356 6.549 213 HA LEU 30 HA LEU 30 1.488 8.413 5.033 214 HB2 LEU 30 HB3 LEU 30 0.327 6.589 3.935 215 HB3 LEU 30 HB2 LEU 30 2.018 6.133 4.142 216 HG LEU 30 HG LEU 30 0.743 5.309 6.505 217 HD11 LEU 30 HD11 LEU 30 -1.439 5.523 5.462 218 HD12 LEU 30 HD12 LEU 30 -1.041 3.809 5.569 219 HD13 LEU 30 HD13 LEU 30 -0.883 4.655 4.031 220 HD21 LEU 30 HD21 LEU 30 2.600 4.194 5.317 221 HD22 LEU 30 HD22 LEU 30 1.490 3.721 4.031 222 HD23 LEU 30 HD23 LEU 30 1.290 3.063 5.655 223 H VAL 31 H VAL 31 1.039 7.625 8.162 224 HA VAL 31 HA VAL 31 -1.701 7.103 8.521 225 HB VAL 31 HB VAL 31 0.112 7.409 10.323 226 HG11 VAL 31 HG11 VAL 31 -0.815 10.284 10.238 227 HG12 VAL 31 HG12 VAL 31 0.652 9.755 9.414 228 HG13 VAL 31 HG13 VAL 31 0.517 9.595 11.165 229 HG21 VAL 31 HG21 VAL 31 -1.839 7.037 11.432 230 HG22 VAL 31 HG22 VAL 31 -2.748 8.119 10.377 231 HG23 VAL 31 HG23 VAL 31 -1.823 8.776 11.727 232 H ASP 32 H ASP 32 -0.066 10.139 7.753 233 HA ASP 32 HA ASP 32 -2.312 11.876 7.953 234 HB2 ASP 32 HB3 ASP 32 0.048 11.935 6.040 235 HB3 ASP 32 HB2 ASP 32 -1.107 13.255 6.223 236 H ASN 33 H ASN 33 -1.250 9.635 5.466 237 HA ASN 33 HA ASN 33 -3.408 10.386 3.626 238 HB2 ASN 33 HB3 ASN 33 -1.467 8.069 3.527 239 HB3 ASN 33 HB2 ASN 33 -2.523 8.587 2.214 240 HD21 ASN 33 HD21 ASN 33 0.596 8.665 2.838 241 HD22 ASN 33 HD22 ASN 33 1.024 10.218 2.304 242 H GLY 34 H GLY 34 -3.703 9.136 6.451 243 HA2 GLY 34 HA3 GLY 34 -4.682 6.556 6.471 244 HA3 GLY 34 HA2 GLY 34 -5.435 7.851 7.403 245 H VAL 35 H VAL 35 -5.828 9.125 4.552 246 HA VAL 35 HA VAL 35 -8.580 8.628 4.277 247 HB VAL 35 HB VAL 35 -6.516 9.351 2.176 248 HG11 VAL 35 HG11 VAL 35 -9.542 9.288 2.025 249 HG12 VAL 35 HG12 VAL 35 -8.405 8.402 1.008 250 HG13 VAL 35 HG13 VAL 35 -8.525 10.157 0.876 251 HG21 VAL 35 HG21 VAL 35 -7.014 10.896 4.164 252 HG22 VAL 35 HG22 VAL 35 -8.624 11.089 3.472 253 HG23 VAL 35 HG23 VAL 35 -7.204 11.601 2.559 254 H ILE 36 H ILE 36 -5.830 6.840 2.959 255 HA ILE 36 HA ILE 36 -7.383 5.097 1.268 256 HB ILE 36 HB ILE 36 -4.803 5.553 1.310 257 HG12 ILE 36 HG13 ILE 36 -6.148 2.886 0.856 258 HG13 ILE 36 HG12 ILE 36 -5.650 4.080 -0.345 259 HG21 ILE 36 HG21 ILE 36 -3.500 4.148 2.691 260 HG22 ILE 36 HG22 ILE 36 -4.866 3.090 3.050 261 HG23 ILE 36 HG23 ILE 36 -4.786 4.702 3.763 262 HD11 ILE 36 HD11 ILE 36 -3.907 2.575 -0.549 263 HD12 ILE 36 HD12 ILE 36 -3.996 2.083 1.142 264 HD13 ILE 36 HD13 ILE 36 -3.253 3.622 0.710 265 H ASP 37 H ASP 37 -6.682 5.153 4.669 266 HA ASP 37 HA ASP 37 -6.932 2.430 5.343 267 HB2 ASP 37 HB3 ASP 37 -7.883 4.853 6.895 268 HB3 ASP 37 HB2 ASP 37 -7.698 3.235 7.565 269 H SER 38 H SER 38 -9.474 4.790 4.608 270 HA SER 38 HA SER 38 -11.481 2.620 5.053 271 HB2 SER 38 2HB SER 38 -11.464 5.476 5.656 272 HB3 SER 38 1HB SER 38 -12.892 4.987 4.752 273 H LEU 39 H LEU 39 -11.260 5.534 2.977 274 HA LEU 39 HA LEU 39 -13.002 4.461 0.999 275 HB2 LEU 39 HB3 LEU 39 -12.567 6.855 1.193 276 HB3 LEU 39 HB2 LEU 39 -10.893 6.594 0.715 277 HG LEU 39 HG LEU 39 -11.614 5.750 -1.457 278 HD11 LEU 39 HD11 LEU 39 -13.658 4.673 -1.182 279 HD12 LEU 39 HD12 LEU 39 -14.186 6.193 -1.904 280 HD13 LEU 39 HD13 LEU 39 -14.309 5.954 -0.161 281 HD21 LEU 39 HD21 LEU 39 -12.893 8.355 -0.612 282 HD22 LEU 39 HD22 LEU 39 -12.730 7.850 -2.293 283 HD23 LEU 39 HD23 LEU 39 -11.292 8.139 -1.315 284 H GLY 40 H GLY 40 -9.455 4.762 0.959 285 HA2 GLY 40 HA3 GLY 40 -9.182 3.302 -1.512 286 HA3 GLY 40 HA2 GLY 40 -7.879 3.671 -0.393 287 H LEU 41 H LEU 41 -9.073 2.381 1.902 288 HA LEU 41 HA LEU 41 -8.052 -0.245 1.581 289 HB2 LEU 41 HB3 LEU 41 -8.345 0.788 3.787 290 HB3 LEU 41 HB2 LEU 41 -10.097 0.753 3.585 291 HG LEU 41 HG LEU 41 -8.770 -1.847 3.144 292 HD11 LEU 41 HD11 LEU 41 -7.377 -1.449 4.959 293 HD12 LEU 41 HD12 LEU 41 -8.801 -2.090 5.777 294 HD13 LEU 41 HD13 LEU 41 -8.519 -0.351 5.734 295 HD21 LEU 41 HD21 LEU 41 -11.294 -1.182 3.361 296 HD22 LEU 41 HD22 LEU 41 -10.975 -1.216 5.095 297 HD23 LEU 41 HD23 LEU 41 -10.736 -2.669 4.125 298 H LEU 42 H LEU 42 -11.390 0.954 1.355 299 HA LEU 42 HA LEU 42 -12.554 -1.644 0.939 300 HB2 LEU 42 HB3 LEU 42 -13.501 1.122 0.159 301 HB3 LEU 42 HB2 LEU 42 -14.478 -0.325 -0.007 302 HG LEU 42 HG LEU 42 -13.279 0.665 2.593 303 HD11 LEU 42 HD11 LEU 42 -15.716 1.362 1.153 304 HD12 LEU 42 HD12 LEU 42 -15.026 2.099 2.599 305 HD13 LEU 42 HD13 LEU 42 -16.070 0.685 2.741 306 HD21 LEU 42 HD21 LEU 42 -13.601 -1.539 3.078 307 HD22 LEU 42 HD22 LEU 42 -14.699 -1.777 1.720 308 HD23 LEU 42 HD23 LEU 42 -15.292 -1.059 3.217 309 H LYS 43 H LYS 43 -11.428 0.890 -1.302 310 HA LYS 43 HA LYS 43 -12.142 -0.538 -3.685 311 HB2 LYS 43 HB3 LYS 43 -10.061 1.597 -3.196 312 HB3 LYS 43 HB2 LYS 43 -10.550 1.033 -4.789 313 HG2 LYS 43 HG3 LYS 43 -12.903 1.675 -4.247 314 HG3 LYS 43 HG2 LYS 43 -12.329 2.350 -2.721 315 HD2 LYS 43 HD3 LYS 43 -10.801 3.852 -4.006 316 HD3 LYS 43 HD2 LYS 43 -11.506 3.236 -5.501 317 HE2 LYS 43 HE3 LYS 43 -12.840 4.863 -3.336 318 HE3 LYS 43 HE2 LYS 43 -12.719 5.223 -5.058 319 HZ1 LYS 43 HZ1 LYS 43 -14.925 4.372 -4.326 320 HZ2 LYS 43 HZ2 LYS 43 -14.184 2.885 -3.971 321 HZ3 LYS 43 HZ3 LYS 43 -14.207 3.467 -5.568 322 H VAL 44 H VAL 44 -9.142 -0.360 -1.782 323 HA VAL 44 HA VAL 44 -7.575 -1.971 -3.568 324 HB VAL 44 HB VAL 44 -7.299 -1.477 -0.591 325 HG11 VAL 44 HG11 VAL 44 -5.406 -2.725 -2.604 326 HG12 VAL 44 HG12 VAL 44 -6.093 -3.500 -1.175 327 HG13 VAL 44 HG13 VAL 44 -4.923 -2.194 -0.994 328 HG21 VAL 44 HG21 VAL 44 -7.043 0.293 -2.681 329 HG22 VAL 44 HG22 VAL 44 -5.393 -0.306 -2.512 330 HG23 VAL 44 HG23 VAL 44 -6.205 0.442 -1.137 331 H ILE 45 H ILE 45 -9.501 -2.783 -0.686 332 HA ILE 45 HA ILE 45 -8.821 -5.535 -0.566 333 HB ILE 45 HB ILE 45 -10.968 -3.791 0.477 334 HG12 ILE 45 HG13 ILE 45 -10.361 -4.826 2.551 335 HG13 ILE 45 HG12 ILE 45 -9.583 -6.175 1.725 336 HG21 ILE 45 HG21 ILE 45 -12.446 -5.430 -0.453 337 HG22 ILE 45 HG22 ILE 45 -12.267 -5.835 1.253 338 HG23 ILE 45 HG23 ILE 45 -11.388 -6.756 0.035 339 HD11 ILE 45 HD11 ILE 45 -8.544 -3.488 1.032 340 HD12 ILE 45 HD12 ILE 45 -7.671 -4.991 1.320 341 HD13 ILE 45 HD13 ILE 45 -8.230 -4.022 2.681 342 H ALA 46 H ALA 46 -11.593 -3.954 -2.196 343 HA ALA 46 HA ALA 46 -12.560 -6.386 -3.385 344 HB1 ALA 46 HB1 ALA 46 -14.174 -4.717 -3.417 345 HB2 ALA 46 HB2 ALA 46 -13.565 -4.599 -5.067 346 HB3 ALA 46 HB3 ALA 46 -13.014 -3.459 -3.840 347 H TRP 47 H TRP 47 -10.302 -3.881 -4.477 348 HA TRP 47 HA TRP 47 -9.993 -4.920 -7.146 349 HB2 TRP 47 HB3 TRP 47 -9.288 -2.675 -6.801 350 HB3 TRP 47 HB2 TRP 47 -8.300 -3.119 -5.409 351 HD1 TRP 47 HD1 TRP 47 -8.447 -3.821 -9.212 352 HE1 TRP 47 HE1 TRP 47 -6.032 -4.141 -10.057 353 HE3 TRP 47 HE3 TRP 47 -5.912 -3.458 -4.796 354 HZ2 TRP 47 HZ2 TRP 47 -3.374 -4.228 -8.997 355 HZ3 TRP 47 HZ3 TRP 47 -3.443 -3.662 -4.741 356 HH2 TRP 47 HH2 TRP 47 -2.172 -4.046 -6.835 357 H LEU 48 H LEU 48 -8.215 -5.422 -4.111 358 HA LEU 48 HA LEU 48 -6.091 -6.968 -5.139 359 HB2 LEU 48 HB3 LEU 48 -6.338 -6.118 -2.771 360 HB3 LEU 48 HB2 LEU 48 -7.492 -7.410 -2.493 361 HG LEU 48 HG LEU 48 -5.636 -8.979 -3.372 362 HD11 LEU 48 HD11 LEU 48 -4.360 -6.537 -3.749 363 HD12 LEU 48 HD12 LEU 48 -3.585 -8.120 -3.768 364 HD13 LEU 48 HD13 LEU 48 -3.622 -7.172 -2.282 365 HD21 LEU 48 HD21 LEU 48 -4.466 -8.662 -0.996 366 HD22 LEU 48 HD22 LEU 48 -6.109 -9.289 -1.126 367 HD23 LEU 48 HD23 LEU 48 -5.842 -7.591 -0.732 368 H GLU 49 H GLU 49 -9.288 -8.049 -3.964 369 HA GLU 49 HA GLU 49 -8.808 -10.824 -4.603 370 HB2 GLU 49 HB3 GLU 49 -10.513 -10.368 -2.997 371 HB3 GLU 49 HB2 GLU 49 -11.321 -9.226 -4.060 372 HG2 GLU 49 HG3 GLU 49 -12.494 -11.419 -3.945 373 HG3 GLU 49 HG2 GLU 49 -11.949 -11.043 -5.573 374 H ASP 50 H ASP 50 -10.194 -8.092 -6.359 375 HA ASP 50 HA ASP 50 -11.250 -9.579 -8.553 376 HB2 ASP 50 HB3 ASP 50 -11.717 -7.164 -8.037 377 HB3 ASP 50 HB2 ASP 50 -10.106 -6.790 -8.644 378 H ARG 51 H ARG 51 -8.071 -8.021 -8.124 379 HA ARG 51 HA ARG 51 -7.158 -9.117 -10.693 380 HB2 ARG 51 HB3 ARG 51 -6.511 -6.836 -9.961 381 HB3 ARG 51 HB2 ARG 51 -5.619 -7.546 -8.614 382 HG2 ARG 51 HG3 ARG 51 -4.226 -8.818 -10.220 383 HG3 ARG 51 HG2 ARG 51 -5.095 -8.063 -11.556 384 HD2 ARG 51 HD3 ARG 51 -3.515 -6.568 -9.443 385 HD3 ARG 51 HD2 ARG 51 -2.955 -6.904 -11.081 386 HE ARG 51 HE ARG 51 -5.517 -5.465 -10.901 387 HH11 ARG 51 HH11 ARG 51 -5.497 -3.417 -11.854 388 HH12 ARG 51 HH12 ARG 51 -3.985 -2.702 -12.306 389 HH21 ARG 51 HH21 ARG 51 -2.082 -5.384 -11.210 390 HH22 ARG 51 HH22 ARG 51 -2.054 -3.815 -11.942 391 H PHE 52 H PHE 52 -5.893 -9.347 -7.332 392 HA PHE 52 HA PHE 52 -4.193 -11.584 -8.080 393 HB2 PHE 52 HB3 PHE 52 -4.858 -10.321 -5.415 394 HB3 PHE 52 HB2 PHE 52 -3.692 -11.626 -5.618 395 HD1 PHE 52 HD1 PHE 52 -1.627 -11.283 -6.950 396 HD2 PHE 52 HD2 PHE 52 -4.362 -8.073 -6.139 397 HE1 PHE 52 HE1 PHE 52 0.106 -9.638 -7.613 398 HE2 PHE 52 HE2 PHE 52 -2.629 -6.428 -6.801 399 HZ PHE 52 HZ PHE 52 -0.394 -7.210 -7.539 400 H GLY 53 H GLY 53 -7.421 -11.323 -6.724 401 HA2 GLY 53 HA3 GLY 53 -8.969 -13.106 -6.437 402 HA3 GLY 53 HA2 GLY 53 -7.710 -14.226 -6.951 403 H ILE 54 H ILE 54 -7.286 -11.885 -4.357 404 HA ILE 54 HA ILE 54 -6.925 -14.172 -2.476 405 HB ILE 54 HB ILE 54 -6.012 -11.288 -2.236 406 HG12 ILE 54 HG13 ILE 54 -4.332 -13.746 -2.782 407 HG13 ILE 54 HG12 ILE 54 -4.963 -12.725 -4.075 408 HG21 ILE 54 HG21 ILE 54 -5.639 -11.822 -0.080 409 HG22 ILE 54 HG22 ILE 54 -4.499 -13.052 -0.625 410 HG23 ILE 54 HG23 ILE 54 -6.191 -13.474 -0.356 411 HD11 ILE 54 HD11 ILE 54 -2.628 -12.124 -3.343 412 HD12 ILE 54 HD12 ILE 54 -3.297 -11.678 -1.773 413 HD13 ILE 54 HD13 ILE 54 -3.785 -10.798 -3.221 414 H ALA 55 H ALA 55 -8.084 -14.204 -0.517 415 HA ALA 55 HA ALA 55 -10.661 -13.000 -0.493 416 HB1 ALA 55 HB1 ALA 55 -10.062 -15.029 0.814 417 HB2 ALA 55 HB2 ALA 55 -10.814 -13.792 1.823 418 HB3 ALA 55 HB3 ALA 55 -9.066 -14.031 1.873 419 H ALA 56 H ALA 56 -11.465 -11.202 0.651 420 HA ALA 56 HA ALA 56 -9.811 -8.912 0.801 421 HB1 ALA 56 HB1 ALA 56 -11.680 -7.885 2.069 422 HB2 ALA 56 HB2 ALA 56 -12.404 -9.480 2.270 423 HB3 ALA 56 HB3 ALA 56 -12.261 -8.773 0.660 424 H ASP 57 H ASP 57 -10.616 -11.333 3.239 425 HA ASP 57 HA ASP 57 -9.789 -11.658 5.410 426 HB2 ASP 57 HB3 ASP 57 -7.463 -10.163 4.186 427 HB3 ASP 57 HB2 ASP 57 -7.401 -11.001 5.733 428 H ASP 58 H ASP 58 -11.552 -9.498 5.185 429 HA ASP 58 HA ASP 58 -10.302 -7.266 6.682 430 HB2 ASP 58 HB3 ASP 58 -12.408 -6.086 6.293 431 HB3 ASP 58 HB2 ASP 58 -11.820 -6.761 4.773 432 H VAL 59 H VAL 59 -11.240 -10.150 7.627 433 HA VAL 59 HA VAL 59 -13.313 -9.821 9.522 434 HB VAL 59 HB VAL 59 -10.891 -11.621 9.556 435 HG11 VAL 59 HG11 VAL 59 -13.075 -11.202 11.522 436 HG12 VAL 59 HG12 VAL 59 -11.444 -11.827 11.769 437 HG13 VAL 59 HG13 VAL 59 -12.704 -12.880 11.126 438 HG21 VAL 59 HG21 VAL 59 -13.787 -12.304 9.022 439 HG22 VAL 59 HG22 VAL 59 -12.360 -13.278 8.667 440 HG23 VAL 59 HG23 VAL 59 -12.685 -11.817 7.734 441 H GLU 60 H GLU 60 -9.812 -9.303 9.873 442 HA GLU 60 HA GLU 60 -10.383 -7.932 12.473 443 HB2 GLU 60 HB3 GLU 60 -8.933 -9.948 12.665 444 HB3 GLU 60 HB2 GLU 60 -7.783 -9.194 11.566 445 HG2 GLU 60 HG3 GLU 60 -7.569 -7.292 13.130 446 HG3 GLU 60 HG2 GLU 60 -8.661 -8.107 14.243 447 H LEU 61 H LEU 61 -9.785 -5.803 12.636 448 HA LEU 61 HA LEU 61 -8.411 -4.615 10.272 449 HB2 LEU 61 HB3 LEU 61 -10.030 -3.148 12.363 450 HB3 LEU 61 HB2 LEU 61 -9.530 -2.560 10.782 451 HG LEU 61 HG LEU 61 -11.506 -4.774 11.345 452 HD11 LEU 61 HD11 LEU 61 -12.015 -2.158 11.414 453 HD12 LEU 61 HD12 LEU 61 -13.159 -3.297 10.703 454 HD13 LEU 61 HD13 LEU 61 -12.073 -2.372 9.664 455 HD21 LEU 61 HD21 LEU 61 -10.338 -5.492 9.410 456 HD22 LEU 61 HD22 LEU 61 -10.184 -3.847 8.794 457 HD23 LEU 61 HD23 LEU 61 -11.753 -4.651 8.778 458 H SER 62 H SER 62 -6.530 -3.417 10.596 459 HA SER 62 HA SER 62 -5.601 -3.096 13.411 460 HB2 SER 62 HB3 SER 62 -4.357 -4.560 11.189 461 HB3 SER 62 HB2 SER 62 -3.276 -3.435 11.998 462 HG SER 62 HG SER 62 -3.827 -5.787 12.816 463 HA PRO 63 HA PRO 63 -5.637 1.005 11.217 464 HB2 PRO 63 HB3 PRO 63 -5.562 1.854 14.060 465 HB3 PRO 63 HB2 PRO 63 -6.614 2.406 12.747 466 HG2 PRO 63 HG3 PRO 63 -7.490 0.801 14.705 467 HG3 PRO 63 HG2 PRO 63 -8.111 0.712 13.049 468 HD2 PRO 63 HD3 PRO 63 -6.271 -1.150 14.468 469 HD3 PRO 63 HD2 PRO 63 -7.433 -1.483 13.166 470 H GLU 64 H GLU 64 -3.614 -0.300 13.777 471 HA GLU 64 HA GLU 64 -1.568 1.725 13.681 472 HB2 GLU 64 HB3 GLU 64 -1.473 -1.160 14.563 473 HB3 GLU 64 HB2 GLU 64 -0.165 -0.007 14.805 474 HG2 GLU 64 HG3 GLU 64 -2.984 0.339 15.838 475 HG3 GLU 64 HG2 GLU 64 -1.616 -0.196 16.803 476 H HIS 65 H HIS 65 -2.451 -0.798 11.571 477 HA HIS 65 HA HIS 65 0.103 -1.457 10.447 478 HB2 HIS 65 HB3 HIS 65 -2.118 -2.699 10.173 479 HB3 HIS 65 HB2 HIS 65 -2.535 -1.480 8.971 480 HD1 HIS 65 HD1 HIS 65 -2.352 -2.867 6.860 481 HD2 HIS 65 HD2 HIS 65 1.054 -3.154 9.251 482 HE1 HIS 65 HE1 HIS 65 -0.629 -4.137 5.504 483 HE2 HIS 65 HE2 HIS 65 1.449 -4.316 6.950 484 H PHE 66 H PHE 66 -2.056 1.258 9.973 485 HA PHE 66 HA PHE 66 -0.710 2.078 7.480 486 HB2 PHE 66 HB3 PHE 66 -2.730 3.597 9.155 487 HB3 PHE 66 HB2 PHE 66 -2.261 3.952 7.493 488 HD1 PHE 66 HD1 PHE 66 -2.623 2.063 5.741 489 HD2 PHE 66 HD2 PHE 66 -4.518 2.165 9.592 490 HE1 PHE 66 HE1 PHE 66 -4.370 0.503 4.923 491 HE2 PHE 66 HE2 PHE 66 -6.261 0.606 8.778 492 HZ PHE 66 HZ PHE 66 -6.187 -0.224 6.445 493 H ARG 67 H ARG 67 0.208 2.178 10.631 494 HA ARG 67 HA ARG 67 0.920 4.864 11.117 495 HB2 ARG 67 HB3 ARG 67 1.099 3.097 12.823 496 HB3 ARG 67 HB2 ARG 67 2.425 2.360 11.932 497 HG2 ARG 67 HG3 ARG 67 3.402 3.672 13.692 498 HG3 ARG 67 HG2 ARG 67 3.678 4.545 12.193 499 HD2 ARG 67 HD3 ARG 67 1.902 6.097 12.666 500 HD3 ARG 67 HD2 ARG 67 1.328 5.115 14.014 501 HE ARG 67 HE ARG 67 4.073 5.940 14.406 502 HH11 ARG 67 HH11 ARG 67 4.435 7.528 15.975 503 HH12 ARG 67 HH12 ARG 67 3.109 8.488 16.537 504 HH21 ARG 67 HH21 ARG 67 0.773 6.932 14.503 505 HH22 ARG 67 HH22 ARG 67 1.035 8.152 15.704 506 H SER 68 H SER 68 2.684 2.370 9.270 507 HA SER 68 HA SER 68 4.264 4.584 8.068 508 HB2 SER 68 HB3 SER 68 6.369 3.432 8.399 509 HB3 SER 68 HB2 SER 68 5.580 3.598 9.966 510 HG SER 68 HG SER 68 5.685 1.321 8.276 511 H ILE 69 H ILE 69 5.138 4.055 5.982 512 HA ILE 69 HA ILE 69 3.508 2.313 4.400 513 HB ILE 69 HB ILE 69 6.217 3.520 3.769 514 HG12 ILE 69 HG13 ILE 69 3.438 4.544 3.162 515 HG13 ILE 69 HG12 ILE 69 4.470 5.165 4.441 516 HG21 ILE 69 HG21 ILE 69 4.558 1.705 2.351 517 HG22 ILE 69 HG22 ILE 69 6.022 2.507 1.783 518 HG23 ILE 69 HG23 ILE 69 4.449 3.268 1.547 519 HD11 ILE 69 HD11 ILE 69 4.454 5.963 1.737 520 HD12 ILE 69 HD12 ILE 69 5.944 5.050 1.965 521 HD13 ILE 69 HD13 ILE 69 5.602 6.450 2.982 522 H ARG 70 H ARG 70 6.707 1.958 5.879 523 HA ARG 70 HA ARG 70 7.473 -0.451 4.573 524 HB2 ARG 70 HB3 ARG 70 8.127 0.543 7.362 525 HB3 ARG 70 HB2 ARG 70 8.948 -0.795 6.559 526 HG2 ARG 70 HG3 ARG 70 9.559 0.754 4.695 527 HG3 ARG 70 HG2 ARG 70 8.842 2.082 5.608 528 HD2 ARG 70 HD3 ARG 70 11.158 0.344 6.508 529 HD3 ARG 70 HD2 ARG 70 11.259 2.028 5.993 530 HE ARG 70 HE ARG 70 9.420 1.609 8.222 531 HH11 ARG 70 HH11 ARG 70 10.052 2.550 10.178 532 HH12 ARG 70 HH12 ARG 70 11.682 3.101 10.371 533 HH21 ARG 70 HH21 ARG 70 12.661 2.154 7.182 534 HH22 ARG 70 HH22 ARG 70 13.160 2.877 8.675 535 H SER 71 H SER 71 5.455 0.104 7.447 536 HA SER 71 HA SER 71 5.271 -2.596 8.308 537 HB2 SER 71 HB3 SER 71 3.090 -0.494 8.415 538 HB3 SER 71 HB2 SER 71 3.236 -1.911 9.447 539 HG SER 71 HG SER 71 5.219 -1.035 10.202 540 H ILE 72 H ILE 72 3.377 -0.776 5.907 541 HA ILE 72 HA ILE 72 1.565 -2.914 5.297 542 HB ILE 72 HB ILE 72 2.457 -0.568 3.598 543 HG12 ILE 72 HG13 ILE 72 0.042 -0.895 5.410 544 HG13 ILE 72 HG12 ILE 72 1.480 0.044 5.814 545 HG21 ILE 72 HG21 ILE 72 -0.219 -1.375 3.105 546 HG22 ILE 72 HG22 ILE 72 0.779 -2.828 3.054 547 HG23 ILE 72 HG23 ILE 72 1.155 -1.462 2.004 548 HD11 ILE 72 HD11 ILE 72 -0.345 0.542 3.443 549 HD12 ILE 72 HD12 ILE 72 1.100 1.474 3.835 550 HD13 ILE 72 HD13 ILE 72 -0.291 1.505 4.920 551 H ASP 73 H ASP 73 4.698 -1.916 3.984 552 HA ASP 73 HA ASP 73 4.784 -3.589 1.712 553 HB2 ASP 73 HB3 ASP 73 7.017 -2.748 3.584 554 HB3 ASP 73 HB2 ASP 73 7.262 -3.468 1.996 555 H ALA 74 H ALA 74 5.564 -4.302 5.108 556 HA ALA 74 HA ALA 74 6.577 -6.944 4.634 557 HB1 ALA 74 HB1 ALA 74 6.919 -5.674 6.752 558 HB2 ALA 74 HB2 ALA 74 6.266 -7.288 7.033 559 HB3 ALA 74 HB3 ALA 74 5.207 -5.880 7.120 560 H PHE 75 H PHE 75 3.318 -5.712 5.305 561 HA PHE 75 HA PHE 75 2.036 -8.235 5.628 562 HB2 PHE 75 HB3 PHE 75 0.994 -6.023 6.142 563 HB3 PHE 75 HB2 PHE 75 0.856 -5.733 4.411 564 HD1 PHE 75 HD1 PHE 75 -0.277 -7.876 7.209 565 HD2 PHE 75 HD2 PHE 75 -0.797 -6.861 3.068 566 HE1 PHE 75 HE1 PHE 75 -2.386 -9.180 7.155 567 HE2 PHE 75 HE2 PHE 75 -2.907 -8.164 3.014 568 HZ PHE 75 HZ PHE 75 -3.700 -9.324 5.057 569 H VAL 76 H VAL 76 2.488 -6.242 2.695 570 HA VAL 76 HA VAL 76 1.197 -8.079 0.924 571 HB VAL 76 HB VAL 76 3.288 -5.936 0.466 572 HG11 VAL 76 HG11 VAL 76 1.985 -7.887 -1.375 573 HG12 VAL 76 HG12 VAL 76 3.598 -7.179 -1.448 574 HG13 VAL 76 HG13 VAL 76 2.195 -6.232 -1.947 575 HG21 VAL 76 HG21 VAL 76 0.729 -5.456 -0.732 576 HG22 VAL 76 HG22 VAL 76 1.517 -4.546 0.557 577 HG23 VAL 76 HG23 VAL 76 0.473 -5.909 0.954 578 H VAL 77 H VAL 77 4.594 -7.691 1.918 579 HA VAL 77 HA VAL 77 5.710 -9.602 0.138 580 HB VAL 77 HB VAL 77 6.541 -8.682 2.898 581 HG11 VAL 77 HG11 VAL 77 8.808 -9.628 2.043 582 HG12 VAL 77 HG12 VAL 77 7.811 -10.596 0.958 583 HG13 VAL 77 HG13 VAL 77 7.622 -10.753 2.703 584 HG21 VAL 77 HG21 VAL 77 8.075 -8.076 0.422 585 HG22 VAL 77 HG22 VAL 77 7.747 -7.053 1.821 586 HG23 VAL 77 HG23 VAL 77 6.510 -7.279 0.585 587 H GLY 78 H GLY 78 4.432 -9.971 3.449 588 HA2 GLY 78 HA3 GLY 78 5.028 -12.762 3.678 589 HA3 GLY 78 HA2 GLY 78 3.828 -11.899 4.637 590 H ALA 79 H ALA 79 2.132 -11.048 2.505 591 HA ALA 79 HA ALA 79 0.672 -13.538 2.073 592 HB1 ALA 79 HB1 ALA 79 -1.102 -12.165 1.819 593 HB2 ALA 79 HB2 ALA 79 -0.296 -11.254 0.542 594 HB3 ALA 79 HB3 ALA 79 -0.016 -10.838 2.234 595 H THR 80 H THR 80 2.177 -11.116 -0.059 596 HA THR 80 HA THR 80 2.467 -13.265 -2.114 597 HB THR 80 HB THR 80 1.851 -11.757 -3.863 598 HG1 THR 80 HG1 THR 80 1.917 -9.649 -3.633 599 HG21 THR 80 HG21 THR 80 -0.403 -11.547 -3.430 600 HG22 THR 80 HG22 THR 80 -0.136 -10.860 -1.828 601 HG23 THR 80 HG23 THR 80 0.045 -12.595 -2.084 602 H THR 81 H THR 81 4.348 -12.907 -3.533 603 HA THR 81 HA THR 81 6.271 -10.879 -2.525 604 HB THR 81 HB THR 81 6.965 -12.789 -1.312 605 HG1 THR 81 HG1 THR 81 8.481 -11.745 -3.025 606 HG21 THR 81 HG21 THR 81 7.413 -14.938 -2.835 607 HG22 THR 81 HG22 THR 81 6.117 -14.218 -3.790 608 HG23 THR 81 HG23 THR 81 5.839 -14.636 -2.099 609 HA PRO 82 HA PRO 82 6.085 -10.914 -7.146 610 HB2 PRO 82 HB3 PRO 82 6.824 -8.087 -6.804 611 HB3 PRO 82 HB2 PRO 82 5.435 -8.786 -7.653 612 HG2 PRO 82 HG3 PRO 82 5.210 -7.444 -5.326 613 HG3 PRO 82 HG2 PRO 82 4.120 -8.760 -5.794 614 HD2 PRO 82 HD3 PRO 82 6.387 -8.796 -3.837 615 HD3 PRO 82 HD2 PRO 82 4.832 -9.658 -3.785 616 HA PRO 83 HA PRO 83 10.378 -10.847 -8.252 617 HB2 PRO 83 HB3 PRO 83 10.211 -8.382 -9.887 618 HB3 PRO 83 HB2 PRO 83 10.638 -10.031 -10.377 619 HG2 PRO 83 HG3 PRO 83 8.302 -8.895 -11.040 620 HG3 PRO 83 HG2 PRO 83 8.466 -10.632 -10.737 621 HD2 PRO 83 HD3 PRO 83 7.272 -8.519 -8.991 622 HD3 PRO 83 HD2 PRO 83 6.813 -10.226 -9.176 623 H VAL 84 H VAL 84 12.409 -9.899 -7.643 624 HA VAL 84 HA VAL 84 12.127 -7.665 -5.726 625 HB VAL 84 HB VAL 84 13.394 -9.732 -5.109 626 HG11 VAL 84 HG11 VAL 84 15.640 -8.802 -6.857 627 HG12 VAL 84 HG12 VAL 84 14.353 -9.759 -7.589 628 HG13 VAL 84 HG13 VAL 84 15.292 -10.421 -6.249 629 HG21 VAL 84 HG21 VAL 84 15.594 -7.828 -5.064 630 HG22 VAL 84 HG22 VAL 84 14.614 -8.427 -3.726 631 HG23 VAL 84 HG23 VAL 84 14.064 -7.044 -4.672 632 H GLU 85 H GLU 85 12.713 -5.625 -6.227 633 HA GLU 85 HA GLU 85 14.634 -5.190 -8.459 634 HB2 GLU 85 HB3 GLU 85 12.041 -3.675 -8.021 635 HB3 GLU 85 HB2 GLU 85 13.247 -3.303 -9.253 636 HG2 GLU 85 HG3 GLU 85 12.934 -5.576 -10.213 637 HG3 GLU 85 HG2 GLU 85 11.671 -5.883 -9.021 638 H ALA 86 H ALA 86 15.718 -3.057 -8.301 639 HA ALA 86 HA ALA 86 16.319 -2.392 -5.531 640 HB1 ALA 86 HB1 ALA 86 18.229 -1.800 -6.577 641 HB2 ALA 86 HB2 ALA 86 17.377 -0.375 -7.173 642 HB3 ALA 86 HB3 ALA 86 17.441 -1.840 -8.154 643 H LYS 87 H LYS 87 15.181 -0.964 -4.316 644 HA LYS 87 HA LYS 87 12.934 0.484 -5.287 645 HB2 LYS 87 HB3 LYS 87 13.363 -0.101 -2.881 646 HB3 LYS 87 HB2 LYS 87 14.595 1.161 -2.843 647 HG2 LYS 87 HG3 LYS 87 12.887 2.832 -3.505 648 HG3 LYS 87 HG2 LYS 87 11.658 1.566 -3.480 649 HD2 LYS 87 HD3 LYS 87 12.255 1.137 -1.070 650 HD3 LYS 87 HD2 LYS 87 13.296 2.559 -1.134 651 HE2 LYS 87 HE3 LYS 87 10.991 3.025 -0.228 652 HE3 LYS 87 HE2 LYS 87 11.416 3.995 -1.638 653 HZ1 LYS 87 HZ1 LYS 87 9.945 1.434 -1.847 654 HZ2 LYS 87 HZ2 LYS 87 10.128 2.635 -3.035 655 HZ3 LYS 87 HZ3 LYS 87 9.157 2.925 -1.671 656 H LEU 88 H LEU 88 16.321 1.434 -4.867 657 HA LEU 88 HA LEU 88 15.677 4.141 -5.912 658 HB2 LEU 88 HB3 LEU 88 17.136 3.925 -3.889 659 HB3 LEU 88 HB2 LEU 88 18.311 3.055 -4.873 660 HG LEU 88 HG LEU 88 18.386 5.045 -6.417 661 HD11 LEU 88 HD11 LEU 88 16.451 6.286 -6.082 662 HD12 LEU 88 HD12 LEU 88 17.589 7.193 -5.087 663 HD13 LEU 88 HD13 LEU 88 16.477 6.052 -4.334 664 HD21 LEU 88 HD21 LEU 88 20.149 4.763 -4.781 665 HD22 LEU 88 HD22 LEU 88 19.127 5.416 -3.499 666 HD23 LEU 88 HD23 LEU 88 19.697 6.468 -4.796 667 H GLN 89 H GLN 89 16.140 4.668 -8.003 668 HA GLN 89 HA GLN 89 17.136 2.619 -9.809 669 HB2 GLN 89 HB3 GLN 89 16.541 5.562 -10.248 670 HB3 GLN 89 HB2 GLN 89 16.923 4.414 -11.531 671 HG2 GLN 89 HG3 GLN 89 14.966 3.059 -10.930 672 HG3 GLN 89 HG2 GLN 89 14.592 4.164 -9.606 673 HE21 GLN 89 HE21 GLN 89 12.714 3.727 -11.718 674 HE22 GLN 89 HE22 GLN 89 12.577 5.159 -12.620 675 H3 7V9 101 1H1 NIA 101 -11.066 2.979 10.459 676 H4 7V9 101 2H1 NIA 101 -9.848 3.395 9.258 677 H5 7V9 101 1HE1 NIA 101 -11.945 0.243 9.624 678 H6 7V9 101 2HE1 NIA 101 -11.408 0.816 11.203 679 H7 7V9 101 3HE1 NIA 101 -10.639 -0.589 10.465 680 H8 7V9 101 2HE2 NIA 101 -7.977 1.707 9.807 681 H9 7V9 101 3HE2 NIA 101 -8.529 0.297 10.710 682 H10 7V9 101 1HE2 NIA 101 -8.915 1.918 11.285 683 H11 7V9 101 3H NIA 101 -9.006 1.376 7.729 684 H12 7V9 101 3HO NIA 101 -10.833 1.466 6.711 685 H13 7V9 101 5H NIA 101 -7.407 -0.290 7.744 686 H14 7V9 101 1H6 NIA 101 -7.312 -1.910 9.969 687 H15 7V9 101 2H6 NIA 101 -8.101 -2.931 8.769 688 H16 7V9 101 1H7 NIA 101 -5.647 -3.292 8.811 689 H17 7V9 101 2H7 NIA 101 -5.404 -1.593 8.411 690 H18 7V9 101 9H NIA 101 -4.787 -1.551 6.218 691 H19 7V9 101 1H10 NIA 101 -5.588 -4.006 4.716 692 H20 7V9 101 2H10 NIA 101 -5.531 -2.442 3.905 693 H21 7V9 101 1H11 NIA 101 -3.309 -4.218 4.754 694 H22 7V9 101 2H11 NIA 101 -3.051 -2.492 5.004 695 H25 7V9 101 5H1 NIA 101 -1.194 -4.187 1.470 696 H26 7V9 101 7H1 NIA 101 -1.867 -3.916 -2.661 697 H27 7V9 101 8H1 NIA 101 -4.214 -4.662 -2.368 698 H28 7V9 101 9H1 NIA 101 -5.035 -5.223 -0.101 Start of MODEL 2 1 H1 MET 1 H1 MET 1 10.453 -1.409 1.666 2 H2 MET 1 H2 MET 1 9.775 -2.136 0.288 3 H3 MET 1 H3 MET 1 11.344 -1.486 0.225 4 HA MET 1 HA MET 1 12.253 -3.178 1.512 5 HB2 MET 1 HB3 MET 1 9.391 -3.942 2.173 6 HB3 MET 1 HB2 MET 1 10.831 -4.789 2.737 7 HG2 MET 1 HG3 MET 1 11.599 -2.635 3.788 8 HG3 MET 1 HG2 MET 1 10.039 -1.933 3.362 9 HE1 MET 1 HE1 MET 1 11.114 -5.059 6.462 10 HE2 MET 1 HE2 MET 1 12.064 -4.422 5.123 11 HE3 MET 1 HE3 MET 1 10.892 -5.705 4.830 12 H GLN 2 H GLN 2 10.533 -5.759 1.285 13 HA GLN 2 HA GLN 2 11.559 -6.640 -1.218 14 HB2 GLN 2 HB3 GLN 2 9.222 -7.712 0.392 15 HB3 GLN 2 HB2 GLN 2 10.008 -8.566 -0.935 16 HG2 GLN 2 HG3 GLN 2 12.142 -8.530 0.289 17 HG3 GLN 2 HG2 GLN 2 11.373 -7.653 1.613 18 HE21 GLN 2 HE21 GLN 2 12.554 -10.191 2.100 19 HE22 GLN 2 HE22 GLN 2 11.325 -11.313 2.433 20 H HIS 3 H HIS 3 8.392 -5.299 -0.328 21 HA HIS 3 HA HIS 3 7.870 -4.883 -3.231 22 HB2 HIS 3 HB3 HIS 3 5.771 -5.903 -1.299 23 HB3 HIS 3 HB2 HIS 3 5.611 -5.704 -3.045 24 HD1 HIS 3 HD1 HIS 3 6.979 -7.994 -0.442 25 HD2 HIS 3 HD2 HIS 3 7.054 -7.663 -4.600 26 HE1 HIS 3 HE1 HIS 3 7.864 -10.200 -1.322 27 HE2 HIS 3 HE2 HIS 3 7.912 -10.010 -3.851 28 H ALA 4 H ALA 4 8.310 -3.449 -0.359 29 HA ALA 4 HA ALA 4 6.066 -1.751 0.023 30 HB1 ALA 4 HB1 ALA 4 7.386 -0.617 1.527 31 HB2 ALA 4 HB2 ALA 4 8.786 -0.613 0.457 32 HB3 ALA 4 HB3 ALA 4 8.369 -2.070 1.359 33 H SER 5 H SER 5 8.786 -1.516 -2.230 34 HA SER 5 HA SER 5 8.399 1.176 -3.043 35 HB2 SER 5 HB3 SER 5 10.335 -0.294 -3.701 36 HB3 SER 5 HB2 SER 5 9.256 -1.125 -4.818 37 HG SER 5 HG SER 5 9.678 1.681 -4.814 38 H VAL 6 H VAL 6 6.938 -1.824 -4.289 39 HA VAL 6 HA VAL 6 5.359 -0.538 -6.313 40 HB VAL 6 HB VAL 6 4.944 -3.133 -4.814 41 HG11 VAL 6 HG11 VAL 6 3.346 -1.744 -6.917 42 HG12 VAL 6 HG12 VAL 6 2.806 -2.811 -5.621 43 HG13 VAL 6 HG13 VAL 6 3.547 -3.489 -7.072 44 HG21 VAL 6 HG21 VAL 6 6.956 -2.655 -6.448 45 HG22 VAL 6 HG22 VAL 6 5.728 -2.845 -7.700 46 HG23 VAL 6 HG23 VAL 6 6.062 -4.169 -6.585 47 H ILE 7 H ILE 7 4.845 -1.246 -2.907 48 HA ILE 7 HA ILE 7 2.080 -0.500 -2.811 49 HB ILE 7 HB ILE 7 4.201 -0.441 -0.648 50 HG12 ILE 7 HG13 ILE 7 2.115 -2.547 -1.308 51 HG13 ILE 7 HG12 ILE 7 3.810 -2.648 -1.789 52 HG21 ILE 7 HG21 ILE 7 2.282 0.896 0.011 53 HG22 ILE 7 HG22 ILE 7 2.203 -0.644 0.866 54 HG23 ILE 7 HG23 ILE 7 1.169 -0.359 -0.533 55 HD11 ILE 7 HD11 ILE 7 4.317 -3.502 0.223 56 HD12 ILE 7 HD12 ILE 7 2.633 -3.354 0.725 57 HD13 ILE 7 HD13 ILE 7 3.753 -2.016 0.985 58 H ALA 8 H ALA 8 5.079 1.349 -2.252 59 HA ALA 8 HA ALA 8 3.803 3.761 -1.411 60 HB1 ALA 8 HB1 ALA 8 6.020 4.032 -1.006 61 HB2 ALA 8 HB2 ALA 8 6.077 4.644 -2.659 62 HB3 ALA 8 HB3 ALA 8 6.485 2.960 -2.328 63 H GLN 9 H GLN 9 4.977 2.812 -4.652 64 HA GLN 9 HA GLN 9 3.904 5.187 -5.902 65 HB2 GLN 9 HB3 GLN 9 4.237 3.850 -8.046 66 HB3 GLN 9 HB2 GLN 9 5.682 4.089 -7.066 67 HG2 GLN 9 HG3 GLN 9 5.957 1.863 -6.976 68 HG3 GLN 9 HG2 GLN 9 4.426 1.731 -6.116 69 HE21 GLN 9 HE21 GLN 9 2.420 1.551 -7.523 70 HE22 GLN 9 HE22 GLN 9 2.564 0.820 -9.047 71 H PHE 10 H PHE 10 2.753 1.844 -5.571 72 HA PHE 10 HA PHE 10 0.371 2.161 -7.114 73 HB2 PHE 10 HB3 PHE 10 1.294 -0.036 -6.366 74 HB3 PHE 10 HB2 PHE 10 0.804 0.354 -4.717 75 HD1 PHE 10 HD1 PHE 10 -1.516 0.304 -4.044 76 HD2 PHE 10 HD2 PHE 10 -0.400 -0.399 -8.132 77 HE1 PHE 10 HE1 PHE 10 -3.803 -0.524 -4.526 78 HE2 PHE 10 HE2 PHE 10 -2.687 -1.225 -8.615 79 HZ PHE 10 HZ PHE 10 -4.388 -1.287 -6.812 80 H VAL 11 H VAL 11 0.929 2.458 -3.604 81 HA VAL 11 HA VAL 11 -1.761 3.241 -2.971 82 HB VAL 11 HB VAL 11 0.870 3.736 -1.549 83 HG11 VAL 11 HG11 VAL 11 -1.109 3.909 0.348 84 HG12 VAL 11 HG12 VAL 11 -1.853 4.724 -1.029 85 HG13 VAL 11 HG13 VAL 11 -0.309 5.293 -0.396 86 HG21 VAL 11 HG21 VAL 11 -1.397 1.852 -0.853 87 HG22 VAL 11 HG22 VAL 11 0.231 1.875 -0.178 88 HG23 VAL 11 HG23 VAL 11 -0.024 1.363 -1.847 89 H VAL 12 H VAL 12 1.196 5.116 -3.613 90 HA VAL 12 HA VAL 12 -0.015 7.689 -3.259 91 HB VAL 12 HB VAL 12 2.395 6.820 -4.858 92 HG11 VAL 12 HG11 VAL 12 1.010 9.376 -4.712 93 HG12 VAL 12 HG12 VAL 12 2.348 8.886 -5.751 94 HG13 VAL 12 HG13 VAL 12 2.671 9.502 -4.132 95 HG21 VAL 12 HG21 VAL 12 2.607 8.432 -2.378 96 HG22 VAL 12 HG22 VAL 12 3.612 7.097 -2.940 97 HG23 VAL 12 HG23 VAL 12 2.062 6.767 -2.168 98 H GLU 13 H GLU 13 0.339 5.556 -6.055 99 HA GLU 13 HA GLU 13 -0.429 7.296 -8.116 100 HB2 GLU 13 HB3 GLU 13 0.293 4.929 -8.434 101 HB3 GLU 13 HB2 GLU 13 -1.279 4.412 -7.836 102 HG2 GLU 13 HG3 GLU 13 -2.371 5.713 -9.654 103 HG3 GLU 13 HG2 GLU 13 -0.774 6.113 -10.280 104 H GLU 14 H GLU 14 -2.407 5.784 -5.636 105 HA GLU 14 HA GLU 14 -4.955 6.283 -6.856 106 HB2 GLU 14 HB3 GLU 14 -4.176 6.040 -3.936 107 HB3 GLU 14 HB2 GLU 14 -5.838 6.058 -4.526 108 HG2 GLU 14 HG3 GLU 14 -5.339 4.070 -5.930 109 HG3 GLU 14 HG2 GLU 14 -3.706 4.032 -5.263 110 H PHE 15 H PHE 15 -2.774 8.292 -4.956 111 HA PHE 15 HA PHE 15 -4.493 10.624 -5.611 112 HB2 PHE 15 HB3 PHE 15 -4.423 11.473 -3.333 113 HB3 PHE 15 HB2 PHE 15 -5.108 9.849 -3.310 114 HD1 PHE 15 HD1 PHE 15 -3.603 7.889 -2.727 115 HD2 PHE 15 HD2 PHE 15 -2.423 11.979 -2.148 116 HE1 PHE 15 HE1 PHE 15 -1.827 7.155 -1.160 117 HE2 PHE 15 HE2 PHE 15 -0.645 11.244 -0.586 118 HZ PHE 15 HZ PHE 15 -0.346 8.832 -0.091 119 H LEU 16 H LEU 16 -2.066 9.914 -6.843 120 HA LEU 16 HA LEU 16 0.105 11.348 -5.547 121 HB2 LEU 16 HB3 LEU 16 1.474 10.446 -7.130 122 HB3 LEU 16 HB2 LEU 16 0.142 9.323 -7.281 123 HG LEU 16 HG LEU 16 0.608 11.754 -9.044 124 HD11 LEU 16 HD11 LEU 16 0.720 8.845 -9.825 125 HD12 LEU 16 HD12 LEU 16 2.146 9.710 -9.251 126 HD13 LEU 16 HD13 LEU 16 1.321 10.244 -10.715 127 HD21 LEU 16 HD21 LEU 16 -1.253 9.630 -9.901 128 HD22 LEU 16 HD22 LEU 16 -1.430 11.380 -10.002 129 HD23 LEU 16 HD23 LEU 16 -1.814 10.542 -8.504 130 HA PRO 17 HA PRO 17 -1.118 15.252 -7.398 131 HB2 PRO 17 HB3 PRO 17 0.917 16.784 -6.457 132 HB3 PRO 17 HB2 PRO 17 -0.377 16.196 -5.398 133 HG2 PRO 17 HG3 PRO 17 2.389 15.156 -5.758 134 HG3 PRO 17 HG2 PRO 17 1.442 15.352 -4.275 135 HD2 PRO 17 HD3 PRO 17 1.742 12.949 -5.589 136 HD3 PRO 17 HD2 PRO 17 0.360 13.349 -4.548 137 H ASP 18 H ASP 18 1.046 17.085 -8.176 138 HA ASP 18 HA ASP 18 1.717 15.886 -10.748 139 HB2 ASP 18 HB3 ASP 18 2.400 18.548 -9.490 140 HB3 ASP 18 HB2 ASP 18 2.854 18.094 -11.127 141 H VAL 19 H VAL 19 2.899 15.023 -7.993 142 HA VAL 19 HA VAL 19 5.784 15.253 -8.762 143 HB VAL 19 HB VAL 19 4.597 14.626 -6.044 144 HG11 VAL 19 HG11 VAL 19 6.753 13.745 -5.998 145 HG12 VAL 19 HG12 VAL 19 7.052 15.402 -5.474 146 HG13 VAL 19 HG13 VAL 19 7.373 14.934 -7.144 147 HG21 VAL 19 HG21 VAL 19 5.925 17.195 -6.944 148 HG22 VAL 19 HG22 VAL 19 5.051 16.900 -5.440 149 HG23 VAL 19 HG23 VAL 19 4.176 16.973 -6.970 150 H ALA 20 H ALA 20 6.904 13.369 -9.148 151 HA ALA 20 HA ALA 20 5.414 10.908 -9.437 152 HB1 ALA 20 HB1 ALA 20 8.002 11.924 -10.201 153 HB2 ALA 20 HB2 ALA 20 7.112 10.557 -10.872 154 HB3 ALA 20 HB3 ALA 20 8.177 10.321 -9.486 155 HA PRO 21 HA PRO 21 5.735 9.290 -5.277 156 HB2 PRO 21 HB3 PRO 21 6.510 6.710 -6.538 157 HB3 PRO 21 HB2 PRO 21 5.200 7.061 -5.398 158 HG2 PRO 21 HG3 PRO 21 4.800 6.614 -8.032 159 HG3 PRO 21 HG2 PRO 21 3.746 7.630 -7.039 160 HD2 PRO 21 HD3 PRO 21 5.640 8.432 -9.153 161 HD3 PRO 21 HD2 PRO 21 4.257 9.313 -8.468 162 H ALA 22 H ALA 22 8.272 8.679 -7.643 163 HA ALA 22 HA ALA 22 10.280 7.729 -5.831 164 HB1 ALA 22 HB1 ALA 22 10.614 7.436 -8.199 165 HB2 ALA 22 HB2 ALA 22 11.872 8.535 -7.633 166 HB3 ALA 22 HB3 ALA 22 10.467 9.169 -8.490 167 H ASP 23 H ASP 23 9.055 10.908 -6.554 168 HA ASP 23 HA ASP 23 11.304 12.202 -5.118 169 HB2 ASP 23 HB3 ASP 23 8.917 13.336 -6.605 170 HB3 ASP 23 HB2 ASP 23 10.127 14.322 -5.784 171 H VAL 24 H VAL 24 8.668 10.595 -4.195 172 HA VAL 24 HA VAL 24 7.856 12.554 -2.098 173 HB VAL 24 HB VAL 24 6.562 9.921 -2.877 174 HG11 VAL 24 HG11 VAL 24 6.289 11.532 -0.582 175 HG12 VAL 24 HG12 VAL 24 5.215 10.231 -1.099 176 HG13 VAL 24 HG13 VAL 24 4.882 11.894 -1.583 177 HG21 VAL 24 HG21 VAL 24 4.932 11.243 -4.080 178 HG22 VAL 24 HG22 VAL 24 6.530 11.715 -4.659 179 HG23 VAL 24 HG23 VAL 24 5.665 12.746 -3.520 180 H ASP 25 H ASP 25 8.338 12.126 0.040 181 HA ASP 25 HA ASP 25 10.330 10.122 0.617 182 HB2 ASP 25 HB3 ASP 25 8.624 11.839 2.445 183 HB3 ASP 25 HB2 ASP 25 9.955 10.821 2.999 184 H VAL 26 H VAL 26 9.357 8.111 0.007 185 HA VAL 26 HA VAL 26 6.825 7.183 0.928 186 HB VAL 26 HB VAL 26 7.610 4.963 0.350 187 HG11 VAL 26 HG11 VAL 26 8.689 5.466 -1.897 188 HG12 VAL 26 HG12 VAL 26 8.729 7.159 -1.408 189 HG13 VAL 26 HG13 VAL 26 7.184 6.328 -1.579 190 HG21 VAL 26 HG21 VAL 26 10.209 6.171 1.053 191 HG22 VAL 26 HG22 VAL 26 10.251 5.147 -0.381 192 HG23 VAL 26 HG23 VAL 26 9.688 4.490 1.155 193 H ASP 27 H ASP 27 9.381 8.118 2.775 194 HA ASP 27 HA ASP 27 9.070 6.021 4.845 195 HB2 ASP 27 HB3 ASP 27 10.844 8.478 4.687 196 HB3 ASP 27 HB2 ASP 27 10.833 7.349 6.041 197 H LEU 28 H LEU 28 7.203 8.426 3.924 198 HA LEU 28 HA LEU 28 6.798 9.759 6.528 199 HB2 LEU 28 HB3 LEU 28 6.637 11.012 4.362 200 HB3 LEU 28 HB2 LEU 28 5.225 10.041 3.953 201 HG LEU 28 HG LEU 28 4.396 10.858 6.345 202 HD11 LEU 28 HD11 LEU 28 6.731 12.071 6.500 203 HD12 LEU 28 HD12 LEU 28 5.279 12.867 7.108 204 HD13 LEU 28 HD13 LEU 28 5.926 13.302 5.527 205 HD21 LEU 28 HD21 LEU 28 3.404 12.884 5.156 206 HD22 LEU 28 HD22 LEU 28 3.145 11.332 4.357 207 HD23 LEU 28 HD23 LEU 28 4.387 12.435 3.761 208 H ASP 29 H ASP 29 5.112 9.289 7.908 209 HA ASP 29 HA ASP 29 3.764 6.777 7.663 210 HB2 ASP 29 HB3 ASP 29 3.125 9.210 9.363 211 HB3 ASP 29 HB2 ASP 29 2.339 7.641 9.545 212 H LEU 30 H LEU 30 2.095 6.312 6.318 213 HA LEU 30 HA LEU 30 0.831 8.355 4.734 214 HB2 LEU 30 HB3 LEU 30 -0.648 6.494 3.963 215 HB3 LEU 30 HB2 LEU 30 1.067 6.090 3.867 216 HG LEU 30 HG LEU 30 -0.077 5.436 6.473 217 HD11 LEU 30 HD11 LEU 30 -2.119 4.958 5.333 218 HD12 LEU 30 HD12 LEU 30 -1.299 3.405 5.508 219 HD13 LEU 30 HD13 LEU 30 -1.269 4.250 3.960 220 HD21 LEU 30 HD21 LEU 30 1.223 3.705 4.352 221 HD22 LEU 30 HD22 LEU 30 1.107 3.360 6.077 222 HD23 LEU 30 HD23 LEU 30 2.123 4.686 5.508 223 H VAL 31 H VAL 31 0.475 8.039 7.897 224 HA VAL 31 HA VAL 31 -2.271 7.658 8.435 225 HB VAL 31 HB VAL 31 -0.387 9.657 9.727 226 HG11 VAL 31 HG11 VAL 31 -2.252 10.289 10.837 227 HG12 VAL 31 HG12 VAL 31 -2.189 8.711 11.621 228 HG13 VAL 31 HG13 VAL 31 -3.185 8.942 10.183 229 HG21 VAL 31 HG21 VAL 31 -0.106 6.930 9.600 230 HG22 VAL 31 HG22 VAL 31 -1.033 7.128 11.088 231 HG23 VAL 31 HG23 VAL 31 0.521 7.943 10.900 232 H ASP 32 H ASP 32 -0.534 10.587 7.443 233 HA ASP 32 HA ASP 32 -2.721 12.394 7.485 234 HB2 ASP 32 HB3 ASP 32 -0.351 12.249 5.592 235 HB3 ASP 32 HB2 ASP 32 -1.463 13.616 5.677 236 H ASN 33 H ASN 33 -1.707 9.991 5.126 237 HA ASN 33 HA ASN 33 -3.884 10.684 3.277 238 HB2 ASN 33 HB3 ASN 33 -1.930 8.377 3.225 239 HB3 ASN 33 HB2 ASN 33 -3.009 8.844 1.912 240 HD21 ASN 33 HD21 ASN 33 0.117 8.960 2.478 241 HD22 ASN 33 HD22 ASN 33 0.527 10.497 1.887 242 H GLY 34 H GLY 34 -4.155 9.559 6.144 243 HA2 GLY 34 HA3 GLY 34 -5.081 6.967 6.296 244 HA3 GLY 34 HA2 GLY 34 -5.871 8.292 7.154 245 H VAL 35 H VAL 35 -6.296 9.429 4.263 246 HA VAL 35 HA VAL 35 -9.028 8.784 3.995 247 HB VAL 35 HB VAL 35 -6.988 9.582 1.898 248 HG11 VAL 35 HG11 VAL 35 -9.794 8.745 1.637 249 HG12 VAL 35 HG12 VAL 35 -8.554 8.925 0.395 250 HG13 VAL 35 HG13 VAL 35 -9.465 10.333 0.944 251 HG21 VAL 35 HG21 VAL 35 -7.644 11.133 3.849 252 HG22 VAL 35 HG22 VAL 35 -9.235 11.215 3.092 253 HG23 VAL 35 HG23 VAL 35 -7.813 11.790 2.220 254 H ILE 36 H ILE 36 -6.172 7.154 2.715 255 HA ILE 36 HA ILE 36 -7.599 5.250 1.083 256 HB ILE 36 HB ILE 36 -5.056 5.928 1.112 257 HG12 ILE 36 HG13 ILE 36 -6.203 3.169 0.654 258 HG13 ILE 36 HG12 ILE 36 -5.803 4.399 -0.546 259 HG21 ILE 36 HG21 ILE 36 -4.918 3.459 2.840 260 HG22 ILE 36 HG22 ILE 36 -4.968 5.067 3.565 261 HG23 ILE 36 HG23 ILE 36 -3.645 4.628 2.485 262 HD11 ILE 36 HD11 ILE 36 -3.930 3.088 -0.781 263 HD12 ILE 36 HD12 ILE 36 -4.015 2.489 0.876 264 HD13 ILE 36 HD13 ILE 36 -3.374 4.098 0.553 265 H ASP 37 H ASP 37 -6.888 5.443 4.482 266 HA ASP 37 HA ASP 37 -6.846 2.745 5.233 267 HB2 ASP 37 HB3 ASP 37 -8.070 5.095 6.695 268 HB3 ASP 37 HB2 ASP 37 -7.786 3.515 7.420 269 H SER 38 H SER 38 -9.669 4.699 4.348 270 HA SER 38 HA SER 38 -11.341 2.260 4.818 271 HB2 SER 38 2HB SER 38 -11.791 5.107 5.403 272 HB3 SER 38 1HB SER 38 -13.148 4.299 4.624 273 H LEU 39 H LEU 39 -11.571 5.211 2.791 274 HA LEU 39 HA LEU 39 -13.168 3.945 0.808 275 HB2 LEU 39 HB3 LEU 39 -12.929 6.409 1.077 276 HB3 LEU 39 HB2 LEU 39 -11.294 6.284 0.435 277 HG LEU 39 HG LEU 39 -13.351 4.978 -1.220 278 HD11 LEU 39 HD11 LEU 39 -14.031 7.230 -2.183 279 HD12 LEU 39 HD12 LEU 39 -13.331 7.969 -0.743 280 HD13 LEU 39 HD13 LEU 39 -14.700 6.867 -0.593 281 HD21 LEU 39 HD21 LEU 39 -11.394 7.119 -2.034 282 HD22 LEU 39 HD22 LEU 39 -11.980 5.745 -2.971 283 HD23 LEU 39 HD23 LEU 39 -10.826 5.490 -1.663 284 H GLY 40 H GLY 40 -9.681 4.673 0.751 285 HA2 GLY 40 HA3 GLY 40 -9.242 3.224 -1.706 286 HA3 GLY 40 HA2 GLY 40 -7.991 3.795 -0.610 287 H LEU 41 H LEU 41 -8.946 2.415 1.723 288 HA LEU 41 HA LEU 41 -7.581 -0.045 1.473 289 HB2 LEU 41 HB3 LEU 41 -8.058 1.138 3.612 290 HB3 LEU 41 HB2 LEU 41 -9.749 0.670 3.463 291 HG LEU 41 HG LEU 41 -8.857 -1.751 3.294 292 HD11 LEU 41 HD11 LEU 41 -6.424 -0.258 4.298 293 HD12 LEU 41 HD12 LEU 41 -6.521 -1.407 2.964 294 HD13 LEU 41 HD13 LEU 41 -6.674 -1.971 4.627 295 HD21 LEU 41 HD21 LEU 41 -8.451 -0.290 5.916 296 HD22 LEU 41 HD22 LEU 41 -8.915 -1.974 5.697 297 HD23 LEU 41 HD23 LEU 41 -10.038 -0.692 5.259 298 H LEU 42 H LEU 42 -11.085 0.629 1.329 299 HA LEU 42 HA LEU 42 -11.861 -2.117 1.033 300 HB2 LEU 42 HB3 LEU 42 -13.221 0.444 0.172 301 HB3 LEU 42 HB2 LEU 42 -13.980 -1.137 0.093 302 HG LEU 42 HG LEU 42 -12.874 0.125 2.615 303 HD11 LEU 42 HD11 LEU 42 -15.649 -0.268 2.811 304 HD12 LEU 42 HD12 LEU 42 -15.399 0.447 1.219 305 HD13 LEU 42 HD13 LEU 42 -14.814 1.278 2.660 306 HD21 LEU 42 HD21 LEU 42 -12.867 -2.078 3.198 307 HD22 LEU 42 HD22 LEU 42 -13.944 -2.528 1.879 308 HD23 LEU 42 HD23 LEU 42 -14.606 -1.841 3.361 309 H LYS 43 H LYS 43 -11.155 0.441 -1.345 310 HA LYS 43 HA LYS 43 -11.751 -1.124 -3.655 311 HB2 LYS 43 HB3 LYS 43 -9.836 1.183 -3.268 312 HB3 LYS 43 HB2 LYS 43 -10.279 0.520 -4.836 313 HG2 LYS 43 HG3 LYS 43 -12.678 0.985 -4.303 314 HG3 LYS 43 HG2 LYS 43 -12.155 1.773 -2.814 315 HD2 LYS 43 HD3 LYS 43 -10.776 3.346 -4.164 316 HD3 LYS 43 HD2 LYS 43 -11.401 2.595 -5.634 317 HE2 LYS 43 HE3 LYS 43 -13.666 3.257 -5.082 318 HE3 LYS 43 HE2 LYS 43 -13.152 3.851 -3.503 319 HZ1 LYS 43 HZ1 LYS 43 -13.023 5.131 -6.057 320 HZ2 LYS 43 HZ2 LYS 43 -11.521 5.139 -5.264 321 HZ3 LYS 43 HZ3 LYS 43 -12.888 5.802 -4.505 322 H VAL 44 H VAL 44 -8.867 -0.828 -1.651 323 HA VAL 44 HA VAL 44 -7.026 -2.153 -3.368 324 HB VAL 44 HB VAL 44 -7.192 -2.042 -0.347 325 HG11 VAL 44 HG11 VAL 44 -5.031 -3.103 -2.184 326 HG12 VAL 44 HG12 VAL 44 -5.870 -3.975 -0.901 327 HG13 VAL 44 HG13 VAL 44 -4.744 -2.680 -0.496 328 HG21 VAL 44 HG21 VAL 44 -6.467 -0.155 -2.352 329 HG22 VAL 44 HG22 VAL 44 -4.979 -0.655 -1.547 330 HG23 VAL 44 HG23 VAL 44 -6.310 0.016 -0.603 331 H ILE 45 H ILE 45 -9.302 -3.465 -0.965 332 HA ILE 45 HA ILE 45 -8.471 -6.167 -1.084 333 HB ILE 45 HB ILE 45 -11.292 -5.114 -0.733 334 HG12 ILE 45 HG13 ILE 45 -9.836 -3.999 0.854 335 HG13 ILE 45 HG12 ILE 45 -10.717 -5.256 1.718 336 HG21 ILE 45 HG21 ILE 45 -11.187 -7.521 -1.096 337 HG22 ILE 45 HG22 ILE 45 -11.564 -7.191 0.594 338 HG23 ILE 45 HG23 ILE 45 -9.932 -7.674 0.132 339 HD11 ILE 45 HD11 ILE 45 -8.526 -5.603 2.457 340 HD12 ILE 45 HD12 ILE 45 -7.828 -5.201 0.889 341 HD13 ILE 45 HD13 ILE 45 -8.644 -6.747 1.122 342 H ALA 46 H ALA 46 -11.020 -4.512 -2.980 343 HA ALA 46 HA ALA 46 -11.605 -6.813 -4.606 344 HB1 ALA 46 HB1 ALA 46 -11.988 -3.898 -5.346 345 HB2 ALA 46 HB2 ALA 46 -13.102 -4.806 -4.322 346 HB3 ALA 46 HB3 ALA 46 -12.859 -5.285 -6.002 347 H TRP 47 H TRP 47 -9.327 -4.133 -4.937 348 HA TRP 47 HA TRP 47 -8.566 -4.675 -7.652 349 HB2 TRP 47 HB3 TRP 47 -7.968 -2.549 -6.776 350 HB3 TRP 47 HB2 TRP 47 -7.208 -3.262 -5.354 351 HD1 TRP 47 HD1 TRP 47 -6.670 -2.822 -9.127 352 HE1 TRP 47 HE1 TRP 47 -4.159 -3.126 -9.631 353 HE3 TRP 47 HE3 TRP 47 -5.017 -4.272 -4.520 354 HZ2 TRP 47 HZ2 TRP 47 -1.766 -3.884 -8.258 355 HZ3 TRP 47 HZ3 TRP 47 -2.620 -4.776 -4.145 356 HH2 TRP 47 HH2 TRP 47 -0.994 -4.585 -6.005 357 H LEU 48 H LEU 48 -7.272 -5.763 -4.528 358 HA LEU 48 HA LEU 48 -5.013 -7.153 -5.540 359 HB2 LEU 48 HB3 LEU 48 -5.527 -6.625 -3.118 360 HB3 LEU 48 HB2 LEU 48 -6.679 -7.951 -3.144 361 HG LEU 48 HG LEU 48 -4.655 -9.320 -4.088 362 HD11 LEU 48 HD11 LEU 48 -3.008 -7.575 -2.356 363 HD12 LEU 48 HD12 LEU 48 -3.429 -6.906 -3.932 364 HD13 LEU 48 HD13 LEU 48 -2.564 -8.439 -3.827 365 HD21 LEU 48 HD21 LEU 48 -5.337 -10.151 -2.062 366 HD22 LEU 48 HD22 LEU 48 -5.425 -8.550 -1.326 367 HD23 LEU 48 HD23 LEU 48 -3.868 -9.361 -1.490 368 H GLU 49 H GLU 49 -8.354 -8.260 -4.968 369 HA GLU 49 HA GLU 49 -7.862 -10.979 -5.767 370 HB2 GLU 49 HB3 GLU 49 -9.839 -10.329 -4.446 371 HB3 GLU 49 HB2 GLU 49 -10.447 -9.395 -5.805 372 HG2 GLU 49 HG3 GLU 49 -10.514 -11.458 -7.168 373 HG3 GLU 49 HG2 GLU 49 -9.967 -12.379 -5.773 374 H ASP 50 H ASP 50 -8.858 -8.080 -7.551 375 HA ASP 50 HA ASP 50 -9.550 -9.357 -9.987 376 HB2 ASP 50 HB3 ASP 50 -9.929 -6.937 -9.409 377 HB3 ASP 50 HB2 ASP 50 -8.216 -6.664 -9.721 378 H ARG 51 H ARG 51 -6.386 -8.124 -8.890 379 HA ARG 51 HA ARG 51 -5.112 -9.128 -11.339 380 HB2 ARG 51 HB3 ARG 51 -4.032 -7.748 -8.875 381 HB3 ARG 51 HB2 ARG 51 -3.030 -8.248 -10.233 382 HG2 ARG 51 HG3 ARG 51 -4.432 -6.872 -11.754 383 HG3 ARG 51 HG2 ARG 51 -5.373 -6.331 -10.363 384 HD2 ARG 51 HD3 ARG 51 -3.714 -4.636 -10.812 385 HD3 ARG 51 HD2 ARG 51 -3.222 -5.485 -9.348 386 HE ARG 51 HE ARG 51 -1.388 -6.423 -10.544 387 HH11 ARG 51 HH11 ARG 51 -0.008 -6.417 -12.332 388 HH12 ARG 51 HH12 ARG 51 -0.529 -5.680 -13.810 389 HH21 ARG 51 HH21 ARG 51 -3.625 -4.744 -12.564 390 HH22 ARG 51 HH22 ARG 51 -2.576 -4.734 -13.941 391 H PHE 52 H PHE 52 -4.705 -9.787 -7.829 392 HA PHE 52 HA PHE 52 -3.019 -12.088 -8.401 393 HB2 PHE 52 HB3 PHE 52 -4.250 -11.063 -5.835 394 HB3 PHE 52 HB2 PHE 52 -3.111 -12.403 -5.927 395 HD1 PHE 52 HD1 PHE 52 -3.529 -8.778 -6.157 396 HD2 PHE 52 HD2 PHE 52 -0.778 -12.035 -6.673 397 HE1 PHE 52 HE1 PHE 52 -1.638 -7.174 -6.189 398 HE2 PHE 52 HE2 PHE 52 1.115 -10.432 -6.706 399 HZ PHE 52 HZ PHE 52 0.684 -8.002 -6.464 400 H GLY 53 H GLY 53 -6.451 -11.631 -7.834 401 HA2 GLY 53 HA3 GLY 53 -8.161 -13.257 -8.131 402 HA3 GLY 53 HA2 GLY 53 -6.907 -14.449 -8.476 403 H ILE 54 H ILE 54 -6.874 -12.455 -5.586 404 HA ILE 54 HA ILE 54 -7.180 -14.940 -3.970 405 HB ILE 54 HB ILE 54 -6.097 -12.219 -3.177 406 HG12 ILE 54 HG13 ILE 54 -4.562 -14.785 -3.646 407 HG13 ILE 54 HG12 ILE 54 -4.778 -13.566 -4.903 408 HG21 ILE 54 HG21 ILE 54 -5.148 -14.262 -1.492 409 HG22 ILE 54 HG22 ILE 54 -6.871 -14.582 -1.684 410 HG23 ILE 54 HG23 ILE 54 -6.328 -13.017 -1.081 411 HD11 ILE 54 HD11 ILE 54 -3.811 -11.869 -3.312 412 HD12 ILE 54 HD12 ILE 54 -2.672 -13.122 -3.804 413 HD13 ILE 54 HD13 ILE 54 -3.433 -13.195 -2.214 414 H ALA 55 H ALA 55 -8.681 -14.988 -2.243 415 HA ALA 55 HA ALA 55 -11.127 -13.582 -2.625 416 HB1 ALA 55 HB1 ALA 55 -11.014 -14.359 0.088 417 HB2 ALA 55 HB2 ALA 55 -10.081 -15.564 -0.800 418 HB3 ALA 55 HB3 ALA 55 -11.757 -15.245 -1.243 419 H ALA 56 H ALA 56 -12.099 -11.967 -1.189 420 HA ALA 56 HA ALA 56 -10.522 -9.684 -0.788 421 HB1 ALA 56 HB1 ALA 56 -13.176 -10.605 0.197 422 HB2 ALA 56 HB2 ALA 56 -12.751 -9.135 -0.679 423 HB3 ALA 56 HB3 ALA 56 -12.438 -9.252 1.052 424 H ASP 57 H ASP 57 -11.257 -12.300 1.505 425 HA ASP 57 HA ASP 57 -10.330 -12.753 3.620 426 HB2 ASP 57 HB3 ASP 57 -7.994 -11.377 2.280 427 HB3 ASP 57 HB2 ASP 57 -7.883 -12.281 3.788 428 H ASP 58 H ASP 58 -11.985 -10.600 3.756 429 HA ASP 58 HA ASP 58 -10.698 -8.201 4.717 430 HB2 ASP 58 HB3 ASP 58 -13.018 -8.277 3.793 431 HB3 ASP 58 HB2 ASP 58 -13.519 -9.149 5.239 432 H VAL 59 H VAL 59 -9.615 -8.067 6.591 433 HA VAL 59 HA VAL 59 -10.687 -9.527 8.967 434 HB VAL 59 HB VAL 59 -8.373 -9.967 9.688 435 HG11 VAL 59 HG11 VAL 59 -7.732 -11.511 7.735 436 HG12 VAL 59 HG12 VAL 59 -9.169 -10.891 6.922 437 HG13 VAL 59 HG13 VAL 59 -9.325 -11.761 8.448 438 HG21 VAL 59 HG21 VAL 59 -7.646 -8.704 7.024 439 HG22 VAL 59 HG22 VAL 59 -6.512 -9.522 8.098 440 HG23 VAL 59 HG23 VAL 59 -7.300 -8.032 8.618 441 H GLU 60 H GLU 60 -9.982 -8.457 11.043 442 HA GLU 60 HA GLU 60 -10.055 -5.530 10.672 443 HB2 GLU 60 HB3 GLU 60 -11.542 -6.597 12.341 444 HB3 GLU 60 HB2 GLU 60 -10.127 -7.163 13.222 445 HG2 GLU 60 HG3 GLU 60 -9.383 -4.846 13.530 446 HG3 GLU 60 HG2 GLU 60 -10.793 -4.276 12.649 447 H LEU 61 H LEU 61 -8.246 -4.344 10.682 448 HA LEU 61 HA LEU 61 -5.818 -5.444 12.024 449 HB2 LEU 61 HB3 LEU 61 -5.896 -3.456 9.738 450 HB3 LEU 61 HB2 LEU 61 -4.480 -4.275 10.388 451 HG LEU 61 HG LEU 61 -6.798 -5.556 8.936 452 HD11 LEU 61 HD11 LEU 61 -4.550 -4.331 7.930 453 HD12 LEU 61 HD12 LEU 61 -5.461 -5.596 7.105 454 HD13 LEU 61 HD13 LEU 61 -4.032 -6.012 8.052 455 HD21 LEU 61 HD21 LEU 61 -6.248 -7.200 10.488 456 HD22 LEU 61 HD22 LEU 61 -4.563 -6.686 10.589 457 HD23 LEU 61 HD23 LEU 61 -5.129 -7.585 9.182 458 H SER 62 H SER 62 -4.659 -4.020 13.375 459 HA SER 62 HA SER 62 -6.186 -1.875 14.562 460 HB2 SER 62 HB3 SER 62 -3.671 -1.436 15.485 461 HB3 SER 62 HB2 SER 62 -4.746 -2.659 16.155 462 HG SER 62 HG SER 62 -2.498 -3.253 15.386 463 HA PRO 63 HA PRO 63 -5.139 1.551 11.986 464 HB2 PRO 63 HB3 PRO 63 -4.614 3.483 13.925 465 HB3 PRO 63 HB2 PRO 63 -6.222 3.055 13.315 466 HG2 PRO 63 HG3 PRO 63 -4.864 2.232 15.819 467 HG3 PRO 63 HG2 PRO 63 -6.580 2.546 15.509 468 HD2 PRO 63 HD3 PRO 63 -5.585 0.026 15.738 469 HD3 PRO 63 HD2 PRO 63 -6.961 0.413 14.681 470 H GLU 64 H GLU 64 -2.937 0.665 14.564 471 HA GLU 64 HA GLU 64 -0.720 2.306 13.794 472 HB2 GLU 64 HB3 GLU 64 -0.794 -0.355 15.221 473 HB3 GLU 64 HB2 GLU 64 0.630 0.668 15.099 474 HG2 GLU 64 HG3 GLU 64 -0.620 2.494 16.209 475 HG3 GLU 64 HG2 GLU 64 -1.996 1.414 16.391 476 H HIS 65 H HIS 65 -2.009 -0.665 12.504 477 HA HIS 65 HA HIS 65 0.376 -1.579 11.188 478 HB2 HIS 65 HB3 HIS 65 -1.592 -3.027 11.533 479 HB3 HIS 65 HB2 HIS 65 -2.523 -2.024 10.421 480 HD1 HIS 65 HD1 HIS 65 -2.353 -2.593 7.981 481 HD2 HIS 65 HD2 HIS 65 0.752 -4.288 10.194 482 HE1 HIS 65 HE1 HIS 65 -1.049 -4.066 6.381 483 HE2 HIS 65 HE2 HIS 65 0.846 -5.095 7.717 484 H PHE 66 H PHE 66 -1.984 0.880 10.372 485 HA PHE 66 HA PHE 66 -0.861 1.084 7.626 486 HB2 PHE 66 HB3 PHE 66 -3.121 2.671 8.883 487 HB3 PHE 66 HB2 PHE 66 -2.721 2.569 7.166 488 HD1 PHE 66 HD1 PHE 66 -4.213 0.838 10.032 489 HD2 PHE 66 HD2 PHE 66 -3.151 0.505 5.884 490 HE1 PHE 66 HE1 PHE 66 -5.624 -1.190 9.837 491 HE2 PHE 66 HE2 PHE 66 -4.564 -1.526 5.688 492 HZ PHE 66 HZ PHE 66 -5.798 -2.375 7.668 493 H ARG 67 H ARG 67 0.074 2.065 10.545 494 HA ARG 67 HA ARG 67 0.364 4.870 10.458 495 HB2 ARG 67 HB3 ARG 67 0.920 3.401 12.413 496 HB3 ARG 67 HB2 ARG 67 2.373 2.883 11.565 497 HG2 ARG 67 HG3 ARG 67 3.185 4.616 12.906 498 HG3 ARG 67 HG2 ARG 67 2.858 5.452 11.391 499 HD2 ARG 67 HD3 ARG 67 0.642 6.149 12.268 500 HD3 ARG 67 HD2 ARG 67 1.011 5.348 13.792 501 HE ARG 67 HE ARG 67 2.001 7.937 12.960 502 HH11 ARG 67 HH11 ARG 67 3.466 8.945 14.354 503 HH12 ARG 67 HH12 ARG 67 4.269 8.008 15.570 504 HH21 ARG 67 HH21 ARG 67 2.721 5.036 14.678 505 HH22 ARG 67 HH22 ARG 67 3.847 5.795 15.753 506 H SER 68 H SER 68 2.356 2.337 8.961 507 HA SER 68 HA SER 68 3.646 4.481 7.336 508 HB2 SER 68 HB3 SER 68 5.829 3.446 7.595 509 HB3 SER 68 HB2 SER 68 5.172 3.782 9.195 510 HG SER 68 HG SER 68 4.859 1.684 9.520 511 H ILE 69 H ILE 69 4.375 3.764 5.251 512 HA ILE 69 HA ILE 69 2.701 1.827 3.990 513 HB ILE 69 HB ILE 69 5.316 3.043 3.057 514 HG12 ILE 69 HG13 ILE 69 2.473 3.861 2.448 515 HG13 ILE 69 HG12 ILE 69 3.475 4.646 3.660 516 HG21 ILE 69 HG21 ILE 69 3.529 1.079 1.918 517 HG22 ILE 69 HG22 ILE 69 5.079 1.658 1.309 518 HG23 ILE 69 HG23 ILE 69 3.596 2.527 0.917 519 HD11 ILE 69 HD11 ILE 69 4.573 5.835 2.091 520 HD12 ILE 69 HD12 ILE 69 3.388 5.249 0.923 521 HD13 ILE 69 HD13 ILE 69 4.906 4.379 1.151 522 H ARG 70 H ARG 70 6.011 1.663 5.251 523 HA ARG 70 HA ARG 70 6.745 -0.835 4.111 524 HB2 ARG 70 HB3 ARG 70 7.565 0.407 6.752 525 HB3 ARG 70 HB2 ARG 70 8.366 -0.974 6.003 526 HG2 ARG 70 HG3 ARG 70 8.794 0.432 3.978 527 HG3 ARG 70 HG2 ARG 70 8.111 1.813 4.836 528 HD2 ARG 70 HD3 ARG 70 10.537 0.203 5.681 529 HD3 ARG 70 HD2 ARG 70 10.546 1.849 5.049 530 HE ARG 70 HE ARG 70 8.876 1.988 7.261 531 HH11 ARG 70 HH11 ARG 70 9.645 2.475 9.330 532 HH12 ARG 70 HH12 ARG 70 11.302 2.153 9.721 533 HH21 ARG 70 HH21 ARG 70 12.073 0.886 6.588 534 HH22 ARG 70 HH22 ARG 70 12.676 1.254 8.169 535 H SER 71 H SER 71 4.924 -0.093 7.072 536 HA SER 71 HA SER 71 4.908 -2.729 8.148 537 HB2 SER 71 HB3 SER 71 2.990 -1.984 9.445 538 HB3 SER 71 HB2 SER 71 4.157 -0.671 9.353 539 HG SER 71 HG SER 71 1.838 -1.028 7.748 540 H ILE 72 H ILE 72 2.867 -1.173 5.705 541 HA ILE 72 HA ILE 72 0.906 -3.243 5.524 542 HB ILE 72 HB ILE 72 1.884 -1.312 3.399 543 HG12 ILE 72 HG13 ILE 72 -0.452 -1.099 5.326 544 HG13 ILE 72 HG12 ILE 72 1.082 -0.250 5.521 545 HG21 ILE 72 HG21 ILE 72 -0.686 -2.892 3.665 546 HG22 ILE 72 HG22 ILE 72 0.592 -3.191 2.488 547 HG23 ILE 72 HG23 ILE 72 -0.346 -1.700 2.411 548 HD11 ILE 72 HD11 ILE 72 0.216 1.398 4.249 549 HD12 ILE 72 HD12 ILE 72 -1.175 0.406 3.806 550 HD13 ILE 72 HD13 ILE 72 0.324 0.286 2.884 551 H ASP 73 H ASP 73 4.001 -2.706 3.859 552 HA ASP 73 HA ASP 73 3.807 -4.839 1.994 553 HB2 ASP 73 HB3 ASP 73 5.591 -3.032 2.066 554 HB3 ASP 73 HB2 ASP 73 6.354 -3.946 3.368 555 H ALA 74 H ALA 74 4.820 -4.811 5.390 556 HA ALA 74 HA ALA 74 5.836 -7.471 5.485 557 HB1 ALA 74 HB1 ALA 74 6.002 -7.115 7.735 558 HB2 ALA 74 HB2 ALA 74 4.341 -6.537 7.863 559 HB3 ALA 74 HB3 ALA 74 5.613 -5.451 7.301 560 H PHE 75 H PHE 75 2.542 -6.201 5.882 561 HA PHE 75 HA PHE 75 1.332 -8.704 6.580 562 HB2 PHE 75 HB3 PHE 75 0.230 -6.471 6.828 563 HB3 PHE 75 HB2 PHE 75 0.069 -6.406 5.075 564 HD1 PHE 75 HD1 PHE 75 -0.974 -8.210 8.135 565 HD2 PHE 75 HD2 PHE 75 -1.567 -7.735 3.907 566 HE1 PHE 75 HE1 PHE 75 -3.047 -9.566 8.272 567 HE2 PHE 75 HE2 PHE 75 -3.639 -9.092 4.045 568 HZ PHE 75 HZ PHE 75 -4.378 -10.006 6.228 569 H VAL 76 H VAL 76 1.672 -7.053 3.429 570 HA VAL 76 HA VAL 76 0.455 -9.135 1.895 571 HB VAL 76 HB VAL 76 2.459 -6.982 1.171 572 HG11 VAL 76 HG11 VAL 76 2.709 -8.723 -0.457 573 HG12 VAL 76 HG12 VAL 76 1.679 -7.490 -1.185 574 HG13 VAL 76 HG13 VAL 76 0.966 -8.972 -0.546 575 HG21 VAL 76 HG21 VAL 76 -0.543 -7.278 0.842 576 HG22 VAL 76 HG22 VAL 76 0.407 -5.995 0.093 577 HG23 VAL 76 HG23 VAL 76 0.301 -6.103 1.850 578 H VAL 77 H VAL 77 3.863 -8.463 2.733 579 HA VAL 77 HA VAL 77 5.027 -10.555 1.211 580 HB VAL 77 HB VAL 77 5.859 -9.242 3.809 581 HG11 VAL 77 HG11 VAL 77 8.125 -10.227 3.206 582 HG12 VAL 77 HG12 VAL 77 7.269 -11.275 2.076 583 HG13 VAL 77 HG13 VAL 77 6.929 -11.376 3.802 584 HG21 VAL 77 HG21 VAL 77 5.927 -8.462 1.062 585 HG22 VAL 77 HG22 VAL 77 7.588 -8.780 1.569 586 HG23 VAL 77 HG23 VAL 77 6.606 -7.609 2.449 587 H GLY 78 H GLY 78 3.701 -10.523 4.503 588 HA2 GLY 78 HA3 GLY 78 4.462 -13.148 5.257 589 HA3 GLY 78 HA2 GLY 78 3.068 -12.286 5.905 590 H ALA 79 H ALA 79 1.773 -12.033 3.242 591 HA ALA 79 HA ALA 79 0.787 -14.837 3.091 592 HB1 ALA 79 HB1 ALA 79 -0.463 -12.191 2.891 593 HB2 ALA 79 HB2 ALA 79 -1.175 -13.740 3.342 594 HB3 ALA 79 HB3 ALA 79 -0.989 -13.318 1.640 595 H THR 80 H THR 80 1.520 -12.098 0.910 596 HA THR 80 HA THR 80 2.261 -14.123 -1.162 597 HB THR 80 HB THR 80 1.169 -12.863 -2.874 598 HG1 THR 80 HG1 THR 80 1.531 -10.871 -1.132 599 HG21 THR 80 HG21 THR 80 -0.962 -13.437 -2.327 600 HG22 THR 80 HG22 THR 80 -0.944 -12.482 -0.845 601 HG23 THR 80 HG23 THR 80 -0.216 -14.089 -0.870 602 H THR 81 H THR 81 3.809 -13.284 -2.766 603 HA THR 81 HA THR 81 5.272 -10.849 -1.886 604 HB THR 81 HB THR 81 6.612 -12.504 -0.892 605 HG1 THR 81 HG1 THR 81 7.622 -12.294 -3.532 606 HG21 THR 81 HG21 THR 81 7.234 -14.604 -2.178 607 HG22 THR 81 HG22 THR 81 6.011 -14.143 -3.362 608 HG23 THR 81 HG23 THR 81 5.541 -14.490 -1.699 609 HA PRO 82 HA PRO 82 4.490 -10.824 -6.439 610 HB2 PRO 82 HB3 PRO 82 4.571 -7.913 -6.113 611 HB3 PRO 82 HB2 PRO 82 3.266 -8.931 -6.740 612 HG2 PRO 82 HG3 PRO 82 3.166 -7.647 -4.351 613 HG3 PRO 82 HG2 PRO 82 2.281 -9.137 -4.710 614 HD2 PRO 82 HD3 PRO 82 4.755 -8.764 -3.081 615 HD3 PRO 82 HD2 PRO 82 3.446 -9.952 -2.897 616 HA PRO 83 HA PRO 83 8.462 -9.735 -8.073 617 HB2 PRO 83 HB3 PRO 83 7.500 -7.447 -9.675 618 HB3 PRO 83 HB2 PRO 83 8.220 -8.973 -10.214 619 HG2 PRO 83 HG3 PRO 83 5.611 -8.396 -10.536 620 HG3 PRO 83 HG2 PRO 83 6.214 -10.045 -10.299 621 HD2 PRO 83 HD3 PRO 83 4.803 -8.260 -8.363 622 HD3 PRO 83 HD2 PRO 83 4.755 -10.029 -8.516 623 H VAL 84 H VAL 84 10.250 -8.309 -7.729 624 HA VAL 84 HA VAL 84 9.601 -5.921 -6.047 625 HB VAL 84 HB VAL 84 12.189 -7.495 -6.206 626 HG11 VAL 84 HG11 VAL 84 11.848 -6.001 -3.795 627 HG12 VAL 84 HG12 VAL 84 11.533 -4.917 -5.151 628 HG13 VAL 84 HG13 VAL 84 13.069 -5.778 -5.048 629 HG21 VAL 84 HG21 VAL 84 11.184 -7.862 -3.688 630 HG22 VAL 84 HG22 VAL 84 10.969 -9.007 -5.011 631 HG23 VAL 84 HG23 VAL 84 9.702 -7.837 -4.643 632 H GLU 85 H GLU 85 10.128 -3.944 -6.853 633 HA GLU 85 HA GLU 85 12.190 -3.781 -8.988 634 HB2 GLU 85 HB3 GLU 85 9.451 -2.483 -9.100 635 HB3 GLU 85 HB2 GLU 85 10.746 -2.234 -10.270 636 HG2 GLU 85 HG3 GLU 85 10.735 -4.673 -10.763 637 HG3 GLU 85 HG2 GLU 85 9.376 -4.868 -9.655 638 H ALA 86 H ALA 86 13.149 -1.631 -9.155 639 HA ALA 86 HA ALA 86 12.911 -0.120 -6.596 640 HB1 ALA 86 HB1 ALA 86 15.153 0.105 -6.699 641 HB2 ALA 86 HB2 ALA 86 15.062 0.752 -8.336 642 HB3 ALA 86 HB3 ALA 86 15.136 -0.991 -8.080 643 H LYS 87 H LYS 87 12.334 2.054 -6.617 644 HA LYS 87 HA LYS 87 10.786 3.055 -8.780 645 HB2 LYS 87 HB3 LYS 87 12.175 4.552 -6.536 646 HB3 LYS 87 HB2 LYS 87 10.960 5.253 -7.605 647 HG2 LYS 87 HG3 LYS 87 9.360 3.472 -6.881 648 HG3 LYS 87 HG2 LYS 87 10.568 2.908 -5.725 649 HD2 LYS 87 HD3 LYS 87 10.585 5.174 -4.686 650 HD3 LYS 87 HD2 LYS 87 9.295 5.659 -5.789 651 HE2 LYS 87 HE3 LYS 87 9.189 3.836 -3.433 652 HE3 LYS 87 HE2 LYS 87 7.986 4.984 -4.023 653 HZ1 LYS 87 HZ1 LYS 87 8.552 2.248 -4.960 654 HZ2 LYS 87 HZ2 LYS 87 7.824 3.374 -6.004 655 HZ3 LYS 87 HZ3 LYS 87 7.064 2.949 -4.545 656 H LEU 88 H LEU 88 14.215 3.421 -8.004 657 HA LEU 88 HA LEU 88 14.555 5.174 -10.384 658 HB2 LEU 88 HB3 LEU 88 15.619 5.839 -8.215 659 HB3 LEU 88 HB2 LEU 88 16.593 4.371 -8.285 660 HG LEU 88 HG LEU 88 17.439 5.133 -10.538 661 HD11 LEU 88 HD11 LEU 88 15.938 6.703 -11.367 662 HD12 LEU 88 HD12 LEU 88 17.182 7.761 -10.704 663 HD13 LEU 88 HD13 LEU 88 15.702 7.465 -9.795 664 HD21 LEU 88 HD21 LEU 88 19.014 6.759 -9.591 665 HD22 LEU 88 HD22 LEU 88 18.721 5.463 -8.432 666 HD23 LEU 88 HD23 LEU 88 17.937 7.029 -8.221 667 H GLN 89 H GLN 89 15.401 4.353 -12.247 668 HA GLN 89 HA GLN 89 16.174 1.500 -12.278 669 HB2 GLN 89 HB3 GLN 89 15.796 3.518 -14.513 670 HB3 GLN 89 HB2 GLN 89 16.188 1.814 -14.756 671 HG2 GLN 89 HG3 GLN 89 14.116 1.154 -13.616 672 HG3 GLN 89 HG2 GLN 89 13.727 2.848 -13.315 673 HE21 GLN 89 HE21 GLN 89 11.966 1.193 -14.846 674 HE22 GLN 89 HE22 GLN 89 11.976 1.740 -16.452 675 H3 7V9 101 1H1 NIA 101 -10.951 3.744 10.337 676 H4 7V9 101 2H1 NIA 101 -9.670 3.787 9.126 677 H5 7V9 101 1HE1 NIA 101 -9.678 1.018 12.123 678 H6 7V9 101 2HE1 NIA 101 -11.269 1.679 11.748 679 H7 7V9 101 3HE1 NIA 101 -9.938 2.762 12.154 680 H8 7V9 101 2HE2 NIA 101 -7.849 1.220 10.659 681 H9 7V9 101 3HE2 NIA 101 -7.953 2.961 10.395 682 H10 7V9 101 1HE2 NIA 101 -8.016 1.855 9.022 683 H11 7V9 101 3H NIA 101 -9.989 0.705 8.425 684 H12 7V9 101 3HO NIA 101 -12.044 1.406 10.030 685 H13 7V9 101 5H NIA 101 -7.868 -1.045 10.074 686 H14 7V9 101 1H6 NIA 101 -9.701 -1.474 7.779 687 H15 7V9 101 2H6 NIA 101 -7.943 -1.591 7.724 688 H16 7V9 101 1H7 NIA 101 -9.831 -3.568 9.040 689 H17 7V9 101 2H7 NIA 101 -8.072 -3.666 9.094 690 H18 7V9 101 9H NIA 101 -7.085 -3.401 6.742 691 H19 7V9 101 1H10 NIA 101 -8.525 -5.278 4.942 692 H20 7V9 101 2H10 NIA 101 -8.183 -3.654 4.347 693 H21 7V9 101 1H11 NIA 101 -6.328 -5.934 4.813 694 H22 7V9 101 2H11 NIA 101 -5.719 -4.330 5.217 695 H25 7V9 101 5H1 NIA 101 -3.211 -4.057 2.951 696 H26 7V9 101 7H1 NIA 101 -1.999 -3.656 -1.044 697 H27 7V9 101 8H1 NIA 101 -3.813 -5.185 -1.775 698 H28 7V9 101 9H1 NIA 101 -4.904 -6.616 -0.020 Start of MODEL 3 1 H1 MET 1 H1 MET 1 13.456 -4.577 4.723 2 H2 MET 1 H2 MET 1 12.169 -3.864 3.875 3 H3 MET 1 H3 MET 1 13.654 -4.138 3.096 4 HA MET 1 HA MET 1 12.933 -6.608 4.030 5 HB2 MET 1 HB3 MET 1 10.566 -5.255 2.704 6 HB3 MET 1 HB2 MET 1 10.651 -6.921 3.273 7 HG2 MET 1 HG3 MET 1 10.785 -4.426 4.990 8 HG3 MET 1 HG2 MET 1 9.451 -5.577 4.917 9 HE1 MET 1 HE1 MET 1 11.304 -8.538 4.883 10 HE2 MET 1 HE2 MET 1 9.676 -7.913 5.131 11 HE3 MET 1 HE3 MET 1 10.520 -8.704 6.460 12 H GLN 2 H GLN 2 11.182 -6.868 1.453 13 HA GLN 2 HA GLN 2 13.514 -6.825 -0.418 14 HB2 GLN 2 HB3 GLN 2 10.961 -8.465 -0.514 15 HB3 GLN 2 HB2 GLN 2 12.281 -8.557 -1.680 16 HG2 GLN 2 HG3 GLN 2 13.826 -9.256 0.102 17 HG3 GLN 2 HG2 GLN 2 12.522 -9.141 1.285 18 HE21 GLN 2 HE21 GLN 2 13.847 -11.626 0.852 19 HE22 GLN 2 HE22 GLN 2 12.762 -12.701 0.111 20 H HIS 3 H HIS 3 13.325 -5.670 -2.333 21 HA HIS 3 HA HIS 3 12.467 -3.965 -3.715 22 HB2 HIS 3 HB3 HIS 3 9.965 -5.653 -3.393 23 HB3 HIS 3 HB2 HIS 3 10.279 -4.502 -4.693 24 HD1 HIS 3 HD1 HIS 3 11.206 -7.917 -3.468 25 HD2 HIS 3 HD2 HIS 3 12.225 -5.371 -6.612 26 HE1 HIS 3 HE1 HIS 3 12.519 -9.314 -5.126 27 HE2 HIS 3 HE2 HIS 3 13.145 -7.774 -7.042 28 H ALA 4 H ALA 4 12.420 -3.347 -0.915 29 HA ALA 4 HA ALA 4 9.915 -2.365 0.009 30 HB1 ALA 4 HB1 ALA 4 11.113 -1.436 1.739 31 HB2 ALA 4 HB2 ALA 4 12.377 -0.822 0.673 32 HB3 ALA 4 HB3 ALA 4 12.353 -2.527 1.123 33 H SER 5 H SER 5 12.332 -0.939 -2.139 34 HA SER 5 HA SER 5 11.352 1.726 -2.166 35 HB2 SER 5 HB3 SER 5 12.542 0.195 -4.496 36 HB3 SER 5 HB2 SER 5 12.478 1.947 -4.319 37 HG SER 5 HG SER 5 13.800 1.732 -2.478 38 H VAL 6 H VAL 6 10.289 -1.153 -3.930 39 HA VAL 6 HA VAL 6 8.487 0.164 -5.714 40 HB VAL 6 HB VAL 6 8.452 -2.617 -4.538 41 HG11 VAL 6 HG11 VAL 6 6.882 -3.100 -6.462 42 HG12 VAL 6 HG12 VAL 6 6.724 -1.358 -6.683 43 HG13 VAL 6 HG13 VAL 6 6.183 -2.111 -5.182 44 HG21 VAL 6 HG21 VAL 6 9.476 -3.286 -6.573 45 HG22 VAL 6 HG22 VAL 6 10.324 -1.809 -6.117 46 HG23 VAL 6 HG23 VAL 6 9.079 -1.760 -7.365 47 H ILE 7 H ILE 7 8.062 -1.118 -2.440 48 HA ILE 7 HA ILE 7 5.260 -0.711 -2.230 49 HB ILE 7 HB ILE 7 7.374 -0.498 -0.067 50 HG12 ILE 7 HG13 ILE 7 5.672 -2.866 -0.904 51 HG13 ILE 7 HG12 ILE 7 7.343 -2.630 -1.417 52 HG21 ILE 7 HG21 ILE 7 5.472 -1.145 1.423 53 HG22 ILE 7 HG22 ILE 7 4.380 -0.978 0.048 54 HG23 ILE 7 HG23 ILE 7 5.240 0.431 0.667 55 HD11 ILE 7 HD11 ILE 7 7.281 -2.258 1.398 56 HD12 ILE 7 HD12 ILE 7 8.038 -3.575 0.499 57 HD13 ILE 7 HD13 ILE 7 6.371 -3.729 1.051 58 H ALA 8 H ALA 8 7.967 1.488 -1.494 59 HA ALA 8 HA ALA 8 6.349 3.651 -0.544 60 HB1 ALA 8 HB1 ALA 8 8.463 4.969 -1.558 61 HB2 ALA 8 HB2 ALA 8 9.138 3.338 -1.539 62 HB3 ALA 8 HB3 ALA 8 8.554 4.069 -0.043 63 H GLN 9 H GLN 9 7.697 2.980 -3.774 64 HA GLN 9 HA GLN 9 6.409 5.247 -4.996 65 HB2 GLN 9 HB3 GLN 9 7.506 4.615 -6.891 66 HB3 GLN 9 HB2 GLN 9 8.394 3.577 -5.783 67 HG2 GLN 9 HG3 GLN 9 7.732 2.127 -7.522 68 HG3 GLN 9 HG2 GLN 9 6.555 1.829 -6.250 69 HE21 GLN 9 HE21 GLN 9 4.662 1.381 -7.456 70 HE22 GLN 9 HE22 GLN 9 4.002 2.440 -8.608 71 H PHE 10 H PHE 10 5.461 1.905 -4.463 72 HA PHE 10 HA PHE 10 3.215 1.858 -6.219 73 HB2 PHE 10 HB3 PHE 10 4.235 -0.128 -5.072 74 HB3 PHE 10 HB2 PHE 10 3.509 0.426 -3.566 75 HD1 PHE 10 HD1 PHE 10 1.149 0.191 -3.146 76 HD2 PHE 10 HD2 PHE 10 2.808 -0.846 -6.970 77 HE1 PHE 10 HE1 PHE 10 -0.972 -0.937 -3.762 78 HE2 PHE 10 HE2 PHE 10 0.686 -1.972 -7.586 79 HZ PHE 10 HZ PHE 10 -1.200 -2.021 -5.979 80 H VAL 11 H VAL 11 3.348 2.553 -2.715 81 HA VAL 11 HA VAL 11 0.561 3.348 -2.630 82 HB VAL 11 HB VAL 11 1.956 2.432 -0.694 83 HG11 VAL 11 HG11 VAL 11 3.325 3.965 0.546 84 HG12 VAL 11 HG12 VAL 11 2.817 5.325 -0.454 85 HG13 VAL 11 HG13 VAL 11 3.850 4.067 -1.135 86 HG21 VAL 11 HG21 VAL 11 -0.146 4.394 -0.757 87 HG22 VAL 11 HG22 VAL 11 0.901 4.725 0.621 88 HG23 VAL 11 HG23 VAL 11 0.148 3.141 0.448 89 H VAL 12 H VAL 12 3.639 5.157 -2.618 90 HA VAL 12 HA VAL 12 2.460 7.746 -2.356 91 HB VAL 12 HB VAL 12 5.087 6.869 -3.543 92 HG11 VAL 12 HG11 VAL 12 4.776 8.993 -4.497 93 HG12 VAL 12 HG12 VAL 12 5.635 9.363 -3.001 94 HG13 VAL 12 HG13 VAL 12 3.888 9.593 -3.096 95 HG21 VAL 12 HG21 VAL 12 4.728 6.422 -1.123 96 HG22 VAL 12 HG22 VAL 12 4.376 8.132 -0.880 97 HG23 VAL 12 HG23 VAL 12 5.986 7.629 -1.392 98 H GLU 13 H GLU 13 3.307 5.853 -5.237 99 HA GLU 13 HA GLU 13 2.845 7.876 -7.165 100 HB2 GLU 13 HB3 GLU 13 3.849 5.663 -7.682 101 HB3 GLU 13 HB2 GLU 13 2.266 4.925 -7.460 102 HG2 GLU 13 HG3 GLU 13 1.366 6.407 -9.252 103 HG3 GLU 13 HG2 GLU 13 2.999 7.016 -9.512 104 H GLU 14 H GLU 14 0.602 5.924 -5.324 105 HA GLU 14 HA GLU 14 -1.708 6.360 -6.956 106 HB2 GLU 14 HB3 GLU 14 -1.536 4.654 -5.134 107 HB3 GLU 14 HB2 GLU 14 -1.610 5.963 -3.955 108 HG2 GLU 14 HG3 GLU 14 -3.796 6.666 -4.921 109 HG3 GLU 14 HG2 GLU 14 -3.734 5.276 -6.005 110 H PHE 15 H PHE 15 -0.309 8.240 -4.277 111 HA PHE 15 HA PHE 15 -2.498 10.224 -4.572 112 HB2 PHE 15 HB3 PHE 15 -0.220 10.516 -2.637 113 HB3 PHE 15 HB2 PHE 15 -1.891 11.055 -2.479 114 HD1 PHE 15 HD1 PHE 15 0.394 8.696 -1.343 115 HD2 PHE 15 HD2 PHE 15 -3.658 9.002 -2.730 116 HE1 PHE 15 HE1 PHE 15 -0.166 6.590 -0.165 117 HE2 PHE 15 HE2 PHE 15 -4.221 6.896 -1.553 118 HZ PHE 15 HZ PHE 15 -2.475 5.688 -0.269 119 H LEU 16 H LEU 16 1.073 10.085 -4.741 120 HA LEU 16 HA LEU 16 0.958 12.605 -6.359 121 HB2 LEU 16 HB3 LEU 16 2.778 11.802 -4.110 122 HB3 LEU 16 HB2 LEU 16 3.362 12.900 -5.358 123 HG LEU 16 HG LEU 16 0.683 13.557 -4.306 124 HD11 LEU 16 HD11 LEU 16 1.649 14.580 -2.235 125 HD12 LEU 16 HD12 LEU 16 3.160 13.734 -2.566 126 HD13 LEU 16 HD13 LEU 16 1.695 12.816 -2.220 127 HD21 LEU 16 HD21 LEU 16 3.252 15.126 -4.703 128 HD22 LEU 16 HD22 LEU 16 1.673 15.824 -4.341 129 HD23 LEU 16 HD23 LEU 16 1.939 14.993 -5.874 130 HA PRO 17 HA PRO 17 3.164 9.410 -8.829 131 HB2 PRO 17 HB3 PRO 17 1.576 9.946 -11.103 132 HB3 PRO 17 HB2 PRO 17 1.407 8.576 -9.994 133 HG2 PRO 17 HG3 PRO 17 -0.385 10.723 -10.353 134 HG3 PRO 17 HG2 PRO 17 -0.470 9.435 -9.147 135 HD2 PRO 17 HD3 PRO 17 0.415 12.236 -8.822 136 HD3 PRO 17 HD2 PRO 17 -0.178 11.087 -7.602 137 H ASP 18 H ASP 18 2.293 12.746 -9.480 138 HA ASP 18 HA ASP 18 4.149 13.029 -11.719 139 HB2 ASP 18 HB3 ASP 18 2.599 15.037 -10.076 140 HB3 ASP 18 HB2 ASP 18 3.597 15.465 -11.460 141 H VAL 19 H VAL 19 4.556 12.735 -8.436 142 HA VAL 19 HA VAL 19 7.024 14.428 -8.450 143 HB VAL 19 HB VAL 19 5.477 13.393 -6.057 144 HG11 VAL 19 HG11 VAL 19 8.100 14.417 -6.339 145 HG12 VAL 19 HG12 VAL 19 7.221 14.124 -4.838 146 HG13 VAL 19 HG13 VAL 19 7.139 15.706 -5.614 147 HG21 VAL 19 HG21 VAL 19 5.103 16.031 -5.934 148 HG22 VAL 19 HG22 VAL 19 4.012 14.999 -6.859 149 HG23 VAL 19 HG23 VAL 19 5.286 15.898 -7.683 150 H ALA 20 H ALA 20 8.984 13.402 -7.947 151 HA ALA 20 HA ALA 20 9.178 10.608 -8.413 152 HB1 ALA 20 HB1 ALA 20 11.015 12.735 -7.433 153 HB2 ALA 20 HB2 ALA 20 11.219 11.606 -8.771 154 HB3 ALA 20 HB3 ALA 20 11.485 11.065 -7.114 155 HA PRO 21 HA PRO 21 7.669 9.486 -4.286 156 HB2 PRO 21 HB3 PRO 21 8.053 6.754 -4.561 157 HB3 PRO 21 HB2 PRO 21 6.599 7.638 -5.058 158 HG2 PRO 21 HG3 PRO 21 8.812 6.583 -6.689 159 HG3 PRO 21 HG2 PRO 21 7.112 6.844 -7.107 160 HD2 PRO 21 HD3 PRO 21 9.194 8.465 -7.923 161 HD3 PRO 21 HD2 PRO 21 7.493 8.979 -7.843 162 H ALA 22 H ALA 22 10.725 8.401 -5.649 163 HA ALA 22 HA ALA 22 11.855 7.457 -3.163 164 HB1 ALA 22 HB1 ALA 22 12.625 7.365 -5.806 165 HB2 ALA 22 HB2 ALA 22 13.658 6.933 -4.445 166 HB3 ALA 22 HB3 ALA 22 13.744 8.553 -5.138 167 H ASP 23 H ASP 23 11.276 10.567 -4.501 168 HA ASP 23 HA ASP 23 13.299 11.902 -2.818 169 HB2 ASP 23 HB3 ASP 23 11.190 12.980 -4.714 170 HB3 ASP 23 HB2 ASP 23 12.335 13.989 -3.829 171 H VAL 24 H VAL 24 10.387 10.538 -2.258 172 HA VAL 24 HA VAL 24 9.457 12.668 -0.395 173 HB VAL 24 HB VAL 24 8.075 10.097 -1.232 174 HG11 VAL 24 HG11 VAL 24 7.501 12.233 0.712 175 HG12 VAL 24 HG12 VAL 24 6.837 10.603 0.604 176 HG13 VAL 24 HG13 VAL 24 6.168 11.895 -0.393 177 HG21 VAL 24 HG21 VAL 24 6.636 11.674 -2.573 178 HG22 VAL 24 HG22 VAL 24 8.295 11.556 -3.160 179 HG23 VAL 24 HG23 VAL 24 7.794 12.955 -2.212 180 H ASP 25 H ASP 25 9.500 12.300 1.825 181 HA ASP 25 HA ASP 25 11.290 10.270 2.799 182 HB2 ASP 25 HB3 ASP 25 10.837 12.482 3.922 183 HB3 ASP 25 HB2 ASP 25 9.264 11.848 4.408 184 H VAL 26 H VAL 26 10.506 8.222 2.205 185 HA VAL 26 HA VAL 26 7.822 7.316 2.522 186 HB VAL 26 HB VAL 26 8.724 5.078 2.307 187 HG11 VAL 26 HG11 VAL 26 10.281 7.162 0.756 188 HG12 VAL 26 HG12 VAL 26 8.815 6.324 0.250 189 HG13 VAL 26 HG13 VAL 26 10.335 5.440 0.381 190 HG21 VAL 26 HG21 VAL 26 11.238 4.772 2.421 191 HG22 VAL 26 HG22 VAL 26 10.471 5.126 3.969 192 HG23 VAL 26 HG23 VAL 26 11.336 6.396 3.102 193 H ASP 27 H ASP 27 9.819 8.425 4.887 194 HA ASP 27 HA ASP 27 9.085 6.441 6.947 195 HB2 ASP 27 HB3 ASP 27 10.606 9.063 7.107 196 HB3 ASP 27 HB2 ASP 27 10.342 7.978 8.471 197 H LEU 28 H LEU 28 7.325 8.606 5.402 198 HA LEU 28 HA LEU 28 6.150 10.033 7.691 199 HB2 LEU 28 HB3 LEU 28 6.355 11.095 5.436 200 HB3 LEU 28 HB2 LEU 28 5.210 9.910 4.815 201 HG LEU 28 HG LEU 28 3.571 10.687 6.564 202 HD11 LEU 28 HD11 LEU 28 4.759 11.763 8.243 203 HD12 LEU 28 HD12 LEU 28 4.216 13.152 7.302 204 HD13 LEU 28 HD13 LEU 28 5.860 12.545 7.109 205 HD21 LEU 28 HD21 LEU 28 2.996 11.623 4.541 206 HD22 LEU 28 HD22 LEU 28 4.595 12.325 4.294 207 HD23 LEU 28 HD23 LEU 28 3.449 13.104 5.385 208 H ASP 29 H ASP 29 4.327 9.403 8.759 209 HA ASP 29 HA ASP 29 3.353 6.738 8.464 210 HB2 ASP 29 HB3 ASP 29 2.131 9.155 9.829 211 HB3 ASP 29 HB2 ASP 29 1.501 7.515 9.977 212 H LEU 30 H LEU 30 2.025 5.967 6.902 213 HA LEU 30 HA LEU 30 0.894 7.607 4.879 214 HB2 LEU 30 HB3 LEU 30 0.005 4.837 5.753 215 HB3 LEU 30 HB2 LEU 30 -0.398 5.608 4.219 216 HG LEU 30 HG LEU 30 2.385 4.885 5.181 217 HD11 LEU 30 HD11 LEU 30 1.967 2.907 4.194 218 HD12 LEU 30 HD12 LEU 30 1.715 3.751 2.666 219 HD13 LEU 30 HD13 LEU 30 0.351 3.448 3.740 220 HD21 LEU 30 HD21 LEU 30 1.347 6.541 2.910 221 HD22 LEU 30 HD22 LEU 30 2.754 5.519 2.617 222 HD23 LEU 30 HD23 LEU 30 2.809 6.756 3.873 223 H VAL 31 H VAL 31 -0.100 7.134 8.095 224 HA VAL 31 HA VAL 31 -2.894 7.160 7.977 225 HB VAL 31 HB VAL 31 -1.369 7.223 10.059 226 HG11 VAL 31 HG11 VAL 31 -0.283 9.397 9.263 227 HG12 VAL 31 HG12 VAL 31 -0.789 9.362 10.952 228 HG13 VAL 31 HG13 VAL 31 -1.771 10.207 9.755 229 HG21 VAL 31 HG21 VAL 31 -3.907 7.338 10.023 230 HG22 VAL 31 HG22 VAL 31 -3.754 9.093 10.097 231 HG23 VAL 31 HG23 VAL 31 -3.152 8.099 11.424 232 H ASP 32 H ASP 32 -0.621 9.812 7.422 233 HA ASP 32 HA ASP 32 -2.504 11.939 7.245 234 HB2 ASP 32 HB3 ASP 32 0.073 11.470 5.704 235 HB3 ASP 32 HB2 ASP 32 -0.826 12.988 5.687 236 H ASN 33 H ASN 33 -1.517 9.430 4.995 237 HA ASN 33 HA ASN 33 -3.256 10.449 2.857 238 HB2 ASN 33 HB3 ASN 33 -1.682 7.874 3.046 239 HB3 ASN 33 HB2 ASN 33 -2.477 8.489 1.599 240 HD21 ASN 33 HD21 ASN 33 0.514 8.127 2.560 241 HD22 ASN 33 HD22 ASN 33 1.229 9.591 2.086 242 H GLY 34 H GLY 34 -4.187 9.451 5.593 243 HA2 GLY 34 HA3 GLY 34 -5.484 7.020 5.609 244 HA3 GLY 34 HA2 GLY 34 -6.218 8.474 6.289 245 H VAL 35 H VAL 35 -5.948 9.519 3.330 246 HA VAL 35 HA VAL 35 -8.652 9.274 2.589 247 HB VAL 35 HB VAL 35 -6.177 9.600 0.865 248 HG11 VAL 35 HG11 VAL 35 -8.310 10.691 -0.518 249 HG12 VAL 35 HG12 VAL 35 -8.990 9.204 0.140 250 HG13 VAL 35 HG13 VAL 35 -7.548 9.141 -0.874 251 HG21 VAL 35 HG21 VAL 35 -7.297 11.320 2.687 252 HG22 VAL 35 HG22 VAL 35 -8.116 11.798 1.200 253 HG23 VAL 35 HG23 VAL 35 -6.354 11.827 1.286 254 H ILE 36 H ILE 36 -5.891 7.191 1.803 255 HA ILE 36 HA ILE 36 -7.382 5.406 0.090 256 HB ILE 36 HB ILE 36 -4.803 5.733 0.315 257 HG12 ILE 36 HG13 ILE 36 -6.285 3.133 -0.042 258 HG13 ILE 36 HG12 ILE 36 -5.560 4.163 -1.276 259 HG21 ILE 36 HG21 ILE 36 -5.131 3.450 2.253 260 HG22 ILE 36 HG22 ILE 36 -5.024 5.113 2.826 261 HG23 ILE 36 HG23 ILE 36 -3.688 4.406 1.917 262 HD11 ILE 36 HD11 ILE 36 -3.337 3.606 0.090 263 HD12 ILE 36 HD12 ILE 36 -3.941 2.518 -1.160 264 HD13 ILE 36 HD13 ILE 36 -4.265 2.175 0.539 265 H ASP 37 H ASP 37 -6.952 5.644 3.546 266 HA ASP 37 HA ASP 37 -7.454 2.954 4.262 267 HB2 ASP 37 HB3 ASP 37 -8.108 5.520 5.720 268 HB3 ASP 37 HB2 ASP 37 -8.303 3.921 6.431 269 H SER 38 H SER 38 -9.715 5.429 3.168 270 HA SER 38 HA SER 38 -11.936 3.503 3.719 271 HB2 SER 38 2HB SER 38 -11.783 6.474 3.781 272 HB3 SER 38 1HB SER 38 -13.277 5.757 3.194 273 H LEU 39 H LEU 39 -11.332 6.121 1.339 274 HA LEU 39 HA LEU 39 -13.021 4.879 -0.621 275 HB2 LEU 39 HB3 LEU 39 -10.925 7.032 -0.837 276 HB3 LEU 39 HB2 LEU 39 -11.912 6.523 -2.200 277 HG LEU 39 HG LEU 39 -13.908 6.948 -0.543 278 HD11 LEU 39 HD11 LEU 39 -12.649 7.380 1.468 279 HD12 LEU 39 HD12 LEU 39 -13.361 8.908 0.954 280 HD13 LEU 39 HD13 LEU 39 -11.656 8.585 0.649 281 HD21 LEU 39 HD21 LEU 39 -12.303 9.188 -1.806 282 HD22 LEU 39 HD22 LEU 39 -13.996 9.301 -1.323 283 HD23 LEU 39 HD23 LEU 39 -13.519 8.200 -2.616 284 H GLY 40 H GLY 40 -9.471 5.145 -0.435 285 HA2 GLY 40 HA3 GLY 40 -9.041 3.441 -2.723 286 HA3 GLY 40 HA2 GLY 40 -7.816 3.900 -1.545 287 H LEU 41 H LEU 41 -9.237 2.885 0.753 288 HA LEU 41 HA LEU 41 -8.247 0.240 0.845 289 HB2 LEU 41 HB3 LEU 41 -8.731 1.547 2.855 290 HB3 LEU 41 HB2 LEU 41 -10.453 1.508 2.493 291 HG LEU 41 HG LEU 41 -8.851 -1.039 2.774 292 HD11 LEU 41 HD11 LEU 41 -8.605 0.430 4.822 293 HD12 LEU 41 HD12 LEU 41 -9.367 -1.131 5.118 294 HD13 LEU 41 HD13 LEU 41 -10.355 0.326 5.018 295 HD21 LEU 41 HD21 LEU 41 -10.874 -1.856 2.161 296 HD22 LEU 41 HD22 LEU 41 -11.676 -0.310 2.413 297 HD23 LEU 41 HD23 LEU 41 -11.419 -1.400 3.772 298 H LEU 42 H LEU 42 -11.579 1.372 0.256 299 HA LEU 42 HA LEU 42 -12.717 -1.240 0.045 300 HB2 LEU 42 HB3 LEU 42 -13.519 1.373 -1.256 301 HB3 LEU 42 HB2 LEU 42 -14.500 -0.082 -1.299 302 HG LEU 42 HG LEU 42 -13.571 1.305 1.228 303 HD11 LEU 42 HD11 LEU 42 -15.755 1.859 -0.573 304 HD12 LEU 42 HD12 LEU 42 -15.320 2.693 0.920 305 HD13 LEU 42 HD13 LEU 42 -16.393 1.294 0.972 306 HD21 LEU 42 HD21 LEU 42 -15.670 -0.295 1.892 307 HD22 LEU 42 HD22 LEU 42 -13.984 -0.795 2.014 308 HD23 LEU 42 HD23 LEU 42 -14.935 -1.241 0.599 309 H LYS 43 H LYS 43 -11.304 0.920 -2.404 310 HA LYS 43 HA LYS 43 -11.744 -0.921 -4.584 311 HB2 LYS 43 HB3 LYS 43 -9.853 1.415 -4.285 312 HB3 LYS 43 HB2 LYS 43 -10.145 0.560 -5.795 313 HG2 LYS 43 HG3 LYS 43 -12.575 1.101 -5.584 314 HG3 LYS 43 HG2 LYS 43 -12.201 2.060 -4.151 315 HD2 LYS 43 HD3 LYS 43 -10.642 3.440 -5.534 316 HD3 LYS 43 HD2 LYS 43 -11.158 2.536 -6.958 317 HE2 LYS 43 HE3 LYS 43 -13.467 3.279 -6.632 318 HE3 LYS 43 HE2 LYS 43 -13.009 4.119 -5.151 319 HZ1 LYS 43 HZ1 LYS 43 -11.287 4.959 -7.176 320 HZ2 LYS 43 HZ2 LYS 43 -12.471 5.869 -6.366 321 HZ3 LYS 43 HZ3 LYS 43 -12.862 5.042 -7.797 322 H VAL 44 H VAL 44 -9.066 -0.341 -2.349 323 HA VAL 44 HA VAL 44 -7.104 -1.902 -3.718 324 HB VAL 44 HB VAL 44 -7.428 -1.209 -0.791 325 HG11 VAL 44 HG11 VAL 44 -5.175 -2.593 -2.267 326 HG12 VAL 44 HG12 VAL 44 -6.065 -3.187 -0.865 327 HG13 VAL 44 HG13 VAL 44 -4.964 -1.820 -0.696 328 HG21 VAL 44 HG21 VAL 44 -6.215 0.676 -1.262 329 HG22 VAL 44 HG22 VAL 44 -6.864 0.428 -2.882 330 HG23 VAL 44 HG23 VAL 44 -5.240 -0.137 -2.488 331 H ILE 45 H ILE 45 -9.281 -2.857 -1.021 332 HA ILE 45 HA ILE 45 -8.337 -5.523 -0.856 333 HB ILE 45 HB ILE 45 -11.144 -4.488 -0.354 334 HG12 ILE 45 HG13 ILE 45 -9.525 -3.261 0.985 335 HG13 ILE 45 HG12 ILE 45 -10.354 -4.410 2.031 336 HG21 ILE 45 HG21 ILE 45 -11.455 -6.758 -0.266 337 HG22 ILE 45 HG22 ILE 45 -10.844 -6.510 1.369 338 HG23 ILE 45 HG23 ILE 45 -9.763 -7.083 0.101 339 HD11 ILE 45 HD11 ILE 45 -8.344 -5.991 1.378 340 HD12 ILE 45 HD12 ILE 45 -8.134 -4.769 2.632 341 HD13 ILE 45 HD13 ILE 45 -7.536 -4.469 1.000 342 H ALA 46 H ALA 46 -11.079 -4.219 -2.751 343 HA ALA 46 HA ALA 46 -11.665 -6.742 -4.008 344 HB1 ALA 46 HB1 ALA 46 -13.315 -5.595 -5.103 345 HB2 ALA 46 HB2 ALA 46 -12.249 -4.251 -5.512 346 HB3 ALA 46 HB3 ALA 46 -12.953 -4.358 -3.898 347 H TRP 47 H TRP 47 -9.533 -4.048 -4.837 348 HA TRP 47 HA TRP 47 -8.891 -5.071 -7.476 349 HB2 TRP 47 HB3 TRP 47 -8.692 -2.715 -7.084 350 HB3 TRP 47 HB2 TRP 47 -7.616 -2.981 -5.715 351 HD1 TRP 47 HD1 TRP 47 -7.382 -4.710 -9.151 352 HE1 TRP 47 HE1 TRP 47 -5.078 -4.154 -10.158 353 HE3 TRP 47 HE3 TRP 47 -5.665 -1.459 -5.642 354 HZ2 TRP 47 HZ2 TRP 47 -2.796 -2.530 -9.556 355 HZ3 TRP 47 HZ3 TRP 47 -3.423 -0.410 -5.871 356 HH2 TRP 47 HH2 TRP 47 -1.989 -0.944 -7.826 357 H LEU 48 H LEU 48 -7.023 -4.935 -4.420 358 HA LEU 48 HA LEU 48 -4.789 -6.387 -5.459 359 HB2 LEU 48 HB3 LEU 48 -5.774 -5.716 -2.706 360 HB3 LEU 48 HB2 LEU 48 -4.459 -6.871 -2.894 361 HG LEU 48 HG LEU 48 -3.750 -4.441 -2.598 362 HD11 LEU 48 HD11 LEU 48 -1.864 -5.227 -3.528 363 HD12 LEU 48 HD12 LEU 48 -2.523 -4.899 -5.130 364 HD13 LEU 48 HD13 LEU 48 -2.786 -6.470 -4.375 365 HD21 LEU 48 HD21 LEU 48 -5.644 -3.690 -4.218 366 HD22 LEU 48 HD22 LEU 48 -4.517 -4.134 -5.499 367 HD23 LEU 48 HD23 LEU 48 -4.082 -2.884 -4.334 368 H GLU 49 H GLU 49 -7.718 -7.471 -3.745 369 HA GLU 49 HA GLU 49 -6.859 -10.188 -3.461 370 HB2 GLU 49 HB3 GLU 49 -9.057 -10.652 -2.777 371 HB3 GLU 49 HB2 GLU 49 -8.853 -8.966 -2.339 372 HG2 GLU 49 HG3 GLU 49 -9.896 -8.352 -4.540 373 HG3 GLU 49 HG2 GLU 49 -10.251 -10.059 -4.776 374 H ASP 50 H ASP 50 -8.478 -8.448 -6.070 375 HA ASP 50 HA ASP 50 -9.176 -10.750 -7.623 376 HB2 ASP 50 HB3 ASP 50 -10.012 -8.376 -7.958 377 HB3 ASP 50 HB2 ASP 50 -8.459 -8.032 -8.715 378 H ARG 51 H ARG 51 -6.291 -8.667 -7.640 379 HA ARG 51 HA ARG 51 -5.003 -10.009 -9.821 380 HB2 ARG 51 HB3 ARG 51 -3.916 -8.313 -7.567 381 HB3 ARG 51 HB2 ARG 51 -2.937 -8.891 -8.911 382 HG2 ARG 51 HG3 ARG 51 -4.510 -7.777 -10.492 383 HG3 ARG 51 HG2 ARG 51 -5.393 -7.128 -9.110 384 HD2 ARG 51 HD3 ARG 51 -3.844 -5.430 -9.879 385 HD3 ARG 51 HD2 ARG 51 -3.258 -6.051 -8.336 386 HE ARG 51 HE ARG 51 -2.141 -7.381 -10.707 387 HH11 ARG 51 HH11 ARG 51 0.096 -7.151 -10.938 388 HH12 ARG 51 HH12 ARG 51 0.938 -5.987 -9.968 389 HH21 ARG 51 HH21 ARG 51 -1.915 -4.902 -8.322 390 HH22 ARG 51 HH22 ARG 51 -0.201 -4.714 -8.488 391 H PHE 52 H PHE 52 -4.712 -10.437 -6.277 392 HA PHE 52 HA PHE 52 -2.912 -12.738 -6.777 393 HB2 PHE 52 HB3 PHE 52 -3.706 -11.298 -4.232 394 HB3 PHE 52 HB2 PHE 52 -2.607 -12.672 -4.298 395 HD1 PHE 52 HD1 PHE 52 -0.453 -12.501 -5.562 396 HD2 PHE 52 HD2 PHE 52 -2.999 -9.106 -4.900 397 HE1 PHE 52 HE1 PHE 52 1.417 -10.984 -6.151 398 HE2 PHE 52 HE2 PHE 52 -1.128 -7.588 -5.487 399 HZ PHE 52 HZ PHE 52 1.079 -8.527 -6.114 400 H GLY 53 H GLY 53 -6.213 -12.116 -6.178 401 HA2 GLY 53 HA3 GLY 53 -8.000 -13.600 -5.822 402 HA3 GLY 53 HA2 GLY 53 -6.877 -14.906 -6.201 403 H ILE 54 H ILE 54 -6.679 -12.529 -3.548 404 HA ILE 54 HA ILE 54 -6.559 -14.841 -1.662 405 HB ILE 54 HB ILE 54 -5.732 -11.954 -1.229 406 HG12 ILE 54 HG13 ILE 54 -3.953 -14.360 -1.696 407 HG13 ILE 54 HG12 ILE 54 -4.430 -13.259 -2.990 408 HG21 ILE 54 HG21 ILE 54 -6.236 -14.021 0.595 409 HG22 ILE 54 HG22 ILE 54 -5.335 -12.539 0.913 410 HG23 ILE 54 HG23 ILE 54 -4.481 -14.000 0.416 411 HD11 ILE 54 HD11 ILE 54 -3.393 -11.388 -1.872 412 HD12 ILE 54 HD12 ILE 54 -2.212 -12.696 -1.934 413 HD13 ILE 54 HD13 ILE 54 -3.077 -12.359 -0.434 414 H ALA 55 H ALA 55 -8.232 -15.135 -0.255 415 HA ALA 55 HA ALA 55 -10.610 -13.545 -0.397 416 HB1 ALA 55 HB1 ALA 55 -10.608 -15.907 0.341 417 HB2 ALA 55 HB2 ALA 55 -11.361 -14.863 1.546 418 HB3 ALA 55 HB3 ALA 55 -9.717 -15.448 1.791 419 H ALA 56 H ALA 56 -11.387 -11.929 0.999 420 HA ALA 56 HA ALA 56 -9.463 -10.215 2.226 421 HB1 ALA 56 HB1 ALA 56 -11.229 -8.809 2.558 422 HB2 ALA 56 HB2 ALA 56 -12.227 -10.075 3.273 423 HB3 ALA 56 HB3 ALA 56 -12.084 -9.949 1.520 424 H ASP 57 H ASP 57 -11.456 -12.830 3.492 425 HA ASP 57 HA ASP 57 -11.118 -12.366 6.268 426 HB2 ASP 57 HB3 ASP 57 -11.361 -14.957 4.734 427 HB3 ASP 57 HB2 ASP 57 -11.446 -14.847 6.490 428 H ASP 58 H ASP 58 -8.976 -13.841 3.891 429 HA ASP 58 HA ASP 58 -7.095 -15.073 5.567 430 HB2 ASP 58 HB3 ASP 58 -6.684 -13.549 2.992 431 HB3 ASP 58 HB2 ASP 58 -5.425 -14.514 3.761 432 H VAL 59 H VAL 59 -7.545 -11.648 4.867 433 HA VAL 59 HA VAL 59 -5.375 -11.050 6.846 434 HB VAL 59 HB VAL 59 -4.950 -8.976 5.637 435 HG11 VAL 59 HG11 VAL 59 -4.006 -9.902 3.610 436 HG12 VAL 59 HG12 VAL 59 -5.133 -11.257 3.647 437 HG13 VAL 59 HG13 VAL 59 -3.872 -11.126 4.874 438 HG21 VAL 59 HG21 VAL 59 -6.166 -8.727 3.374 439 HG22 VAL 59 HG22 VAL 59 -7.095 -8.348 4.825 440 HG23 VAL 59 HG23 VAL 59 -7.327 -9.895 4.009 441 H GLU 60 H GLU 60 -5.797 -9.310 8.303 442 HA GLU 60 HA GLU 60 -8.701 -8.644 8.570 443 HB2 GLU 60 HB3 GLU 60 -7.683 -9.969 10.435 444 HB3 GLU 60 HB2 GLU 60 -6.569 -8.638 10.724 445 HG2 GLU 60 HG3 GLU 60 -8.517 -7.135 11.071 446 HG3 GLU 60 HG2 GLU 60 -9.582 -8.524 10.897 447 H LEU 61 H LEU 61 -9.258 -6.459 9.044 448 HA LEU 61 HA LEU 61 -7.314 -4.499 8.048 449 HB2 LEU 61 HB3 LEU 61 -10.118 -4.054 9.112 450 HB3 LEU 61 HB2 LEU 61 -9.162 -2.917 8.166 451 HG LEU 61 HG LEU 61 -10.173 -5.611 7.239 452 HD11 LEU 61 HD11 LEU 61 -11.524 -3.232 7.368 453 HD12 LEU 61 HD12 LEU 61 -11.855 -4.498 6.185 454 HD13 LEU 61 HD13 LEU 61 -10.813 -3.141 5.757 455 HD21 LEU 61 HD21 LEU 61 -8.227 -3.635 6.083 456 HD22 LEU 61 HD22 LEU 61 -9.246 -4.583 4.999 457 HD23 LEU 61 HD23 LEU 61 -8.139 -5.396 6.106 458 H SER 62 H SER 62 -6.297 -2.936 9.294 459 HA SER 62 HA SER 62 -7.031 -2.574 12.114 460 HB2 SER 62 HB3 SER 62 -5.445 -3.896 13.007 461 HB3 SER 62 HB2 SER 62 -5.039 -4.459 11.388 462 HG SER 62 HG SER 62 -3.229 -3.523 12.351 463 HA PRO 63 HA PRO 63 -5.788 1.449 10.325 464 HB2 PRO 63 HB3 PRO 63 -6.082 2.226 13.182 465 HB3 PRO 63 HB2 PRO 63 -6.748 2.994 11.734 466 HG2 PRO 63 HG3 PRO 63 -8.253 1.525 13.385 467 HG3 PRO 63 HG2 PRO 63 -8.539 1.581 11.639 468 HD2 PRO 63 HD3 PRO 63 -7.400 -0.616 13.280 469 HD3 PRO 63 HD2 PRO 63 -8.260 -0.692 11.727 470 H GLU 64 H GLU 64 -4.497 0.066 13.320 471 HA GLU 64 HA GLU 64 -2.139 1.712 13.425 472 HB2 GLU 64 HB3 GLU 64 -2.693 -1.026 14.575 473 HB3 GLU 64 HB2 GLU 64 -1.286 -0.049 14.970 474 HG2 GLU 64 HG3 GLU 64 -2.790 1.751 15.758 475 HG3 GLU 64 HG2 GLU 64 -4.173 0.713 15.429 476 H HIS 65 H HIS 65 -2.976 -1.201 11.681 477 HA HIS 65 HA HIS 65 -0.290 -2.032 11.055 478 HB2 HIS 65 HB3 HIS 65 -2.100 -3.607 10.786 479 HB3 HIS 65 HB2 HIS 65 -2.927 -2.536 9.655 480 HD1 HIS 65 HD1 HIS 65 -2.327 -2.752 7.228 481 HD2 HIS 65 HD2 HIS 65 0.470 -4.615 9.699 482 HE1 HIS 65 HE1 HIS 65 -0.716 -3.969 5.697 483 HE2 HIS 65 HE2 HIS 65 0.995 -5.098 7.190 484 H PHE 66 H PHE 66 -2.424 0.376 9.683 485 HA PHE 66 HA PHE 66 -0.567 0.733 7.384 486 HB2 PHE 66 HB3 PHE 66 -3.295 1.940 7.940 487 HB3 PHE 66 HB2 PHE 66 -2.346 2.198 6.475 488 HD1 PHE 66 HD1 PHE 66 -2.142 0.484 4.787 489 HD2 PHE 66 HD2 PHE 66 -4.174 -0.319 8.482 490 HE1 PHE 66 HE1 PHE 66 -3.000 -1.646 3.851 491 HE2 PHE 66 HE2 PHE 66 -5.038 -2.447 7.546 492 HZ PHE 66 HZ PHE 66 -4.451 -3.110 5.230 493 H ARG 67 H ARG 67 -0.552 1.675 10.433 494 HA ARG 67 HA ARG 67 -0.514 4.495 10.500 495 HB2 ARG 67 HB3 ARG 67 -0.314 2.969 12.485 496 HB3 ARG 67 HB2 ARG 67 1.345 2.629 12.007 497 HG2 ARG 67 HG3 ARG 67 1.620 4.345 13.572 498 HG3 ARG 67 HG2 ARG 67 1.614 5.227 12.047 499 HD2 ARG 67 HD3 ARG 67 -0.745 5.790 12.331 500 HD3 ARG 67 HD2 ARG 67 -0.827 4.813 13.795 501 HE ARG 67 HE ARG 67 0.324 6.536 14.966 502 HH11 ARG 67 HH11 ARG 67 1.068 8.663 15.099 503 HH12 ARG 67 HH12 ARG 67 1.277 9.586 13.648 504 HH21 ARG 67 HH21 ARG 67 0.238 7.027 11.554 505 HH22 ARG 67 HH22 ARG 67 0.806 8.659 11.643 506 H SER 68 H SER 68 1.971 2.207 9.432 507 HA SER 68 HA SER 68 3.396 4.480 8.157 508 HB2 SER 68 HB3 SER 68 5.548 3.792 9.025 509 HB3 SER 68 HB2 SER 68 4.458 4.020 10.390 510 HG SER 68 HG SER 68 4.239 1.519 9.445 511 H ILE 69 H ILE 69 4.871 3.762 6.438 512 HA ILE 69 HA ILE 69 3.782 1.677 4.824 513 HB ILE 69 HB ILE 69 6.504 2.999 4.676 514 HG12 ILE 69 HG13 ILE 69 3.916 3.670 3.270 515 HG13 ILE 69 HG12 ILE 69 4.573 4.566 4.630 516 HG21 ILE 69 HG21 ILE 69 6.863 1.655 2.923 517 HG22 ILE 69 HG22 ILE 69 5.410 2.295 2.157 518 HG23 ILE 69 HG23 ILE 69 5.306 0.875 3.194 519 HD11 ILE 69 HD11 ILE 69 5.230 5.710 2.601 520 HD12 ILE 69 HD12 ILE 69 5.849 4.209 1.911 521 HD13 ILE 69 HD13 ILE 69 6.663 4.946 3.291 522 H ARG 70 H ARG 70 6.543 1.753 7.053 523 HA ARG 70 HA ARG 70 7.699 -0.735 6.304 524 HB2 ARG 70 HB3 ARG 70 7.617 0.628 9.011 525 HB3 ARG 70 HB2 ARG 70 8.664 -0.733 8.606 526 HG2 ARG 70 HG3 ARG 70 9.631 0.629 6.741 527 HG3 ARG 70 HG2 ARG 70 8.672 2.000 7.298 528 HD2 ARG 70 HD3 ARG 70 10.790 0.530 8.893 529 HD3 ARG 70 HD2 ARG 70 10.925 2.158 8.229 530 HE ARG 70 HE ARG 70 8.634 2.148 9.874 531 HH11 ARG 70 HH11 ARG 70 8.769 2.887 12.007 532 HH12 ARG 70 HH12 ARG 70 10.305 2.910 12.806 533 HH21 ARG 70 HH21 ARG 70 12.037 1.640 10.083 534 HH22 ARG 70 HH22 ARG 70 12.156 2.204 11.716 535 H SER 71 H SER 71 5.056 -0.007 8.577 536 HA SER 71 HA SER 71 4.808 -2.638 9.654 537 HB2 SER 71 HB3 SER 71 3.651 -0.577 10.528 538 HB3 SER 71 HB2 SER 71 2.556 -0.670 9.152 539 HG SER 71 HG SER 71 2.263 -1.872 11.413 540 H ILE 72 H ILE 72 3.281 -1.123 6.809 541 HA ILE 72 HA ILE 72 1.714 -3.412 6.084 542 HB ILE 72 HB ILE 72 2.775 -1.150 4.367 543 HG12 ILE 72 HG13 ILE 72 0.087 -1.459 5.742 544 HG13 ILE 72 HG12 ILE 72 1.406 -0.468 6.367 545 HG21 ILE 72 HG21 ILE 72 0.854 -1.727 2.914 546 HG22 ILE 72 HG22 ILE 72 0.492 -3.099 3.962 547 HG23 ILE 72 HG23 ILE 72 1.999 -3.061 3.048 548 HD11 ILE 72 HD11 ILE 72 -0.158 -0.092 3.810 549 HD12 ILE 72 HD12 ILE 72 1.400 0.691 4.072 550 HD13 ILE 72 HD13 ILE 72 0.045 1.046 5.144 551 H ASP 73 H ASP 73 4.952 -2.297 5.144 552 HA ASP 73 HA ASP 73 5.440 -4.182 3.086 553 HB2 ASP 73 HB3 ASP 73 6.883 -2.204 3.659 554 HB3 ASP 73 HB2 ASP 73 7.480 -3.108 5.052 555 H ALA 74 H ALA 74 5.952 -4.468 6.604 556 HA ALA 74 HA ALA 74 7.208 -7.043 6.473 557 HB1 ALA 74 HB1 ALA 74 6.738 -7.184 8.871 558 HB2 ALA 74 HB2 ALA 74 5.587 -5.854 8.740 559 HB3 ALA 74 HB3 ALA 74 7.305 -5.564 8.468 560 H PHE 75 H PHE 75 3.810 -6.090 6.955 561 HA PHE 75 HA PHE 75 2.810 -8.735 7.334 562 HB2 PHE 75 HB3 PHE 75 1.526 -6.646 7.801 563 HB3 PHE 75 HB2 PHE 75 1.368 -6.404 6.063 564 HD1 PHE 75 HD1 PHE 75 0.470 -8.612 8.895 565 HD2 PHE 75 HD2 PHE 75 -0.147 -7.730 4.737 566 HE1 PHE 75 HE1 PHE 75 -1.479 -10.145 8.860 567 HE2 PHE 75 HE2 PHE 75 -2.097 -9.262 4.701 568 HZ PHE 75 HZ PHE 75 -2.762 -10.470 6.763 569 H VAL 76 H VAL 76 3.080 -6.761 4.363 570 HA VAL 76 HA VAL 76 2.011 -8.763 2.624 571 HB VAL 76 HB VAL 76 3.879 -6.430 2.135 572 HG11 VAL 76 HG11 VAL 76 3.054 -6.816 -0.286 573 HG12 VAL 76 HG12 VAL 76 2.651 -8.443 0.260 574 HG13 VAL 76 HG13 VAL 76 4.320 -7.878 0.328 575 HG21 VAL 76 HG21 VAL 76 1.948 -5.245 1.512 576 HG22 VAL 76 HG22 VAL 76 1.380 -6.200 2.882 577 HG23 VAL 76 HG23 VAL 76 1.019 -6.718 1.235 578 H VAL 77 H VAL 77 5.375 -7.965 3.557 579 HA VAL 77 HA VAL 77 6.636 -9.882 1.875 580 HB VAL 77 HB VAL 77 7.429 -8.673 4.534 581 HG11 VAL 77 HG11 VAL 77 8.785 -10.519 4.614 582 HG12 VAL 77 HG12 VAL 77 9.759 -9.537 3.520 583 HG13 VAL 77 HG13 VAL 77 8.699 -10.789 2.875 584 HG21 VAL 77 HG21 VAL 77 7.329 -7.616 1.971 585 HG22 VAL 77 HG22 VAL 77 9.008 -8.136 2.119 586 HG23 VAL 77 HG23 VAL 77 8.330 -7.004 3.289 587 H GLY 78 H GLY 78 5.303 -10.130 5.152 588 HA2 GLY 78 HA3 GLY 78 6.224 -12.730 5.780 589 HA3 GLY 78 HA2 GLY 78 4.745 -12.017 6.422 590 H ALA 79 H ALA 79 3.499 -11.691 3.767 591 HA ALA 79 HA ALA 79 2.747 -14.542 3.385 592 HB1 ALA 79 HB1 ALA 79 0.820 -13.269 3.869 593 HB2 ALA 79 HB2 ALA 79 0.785 -13.447 2.114 594 HB3 ALA 79 HB3 ALA 79 1.340 -11.937 2.837 595 H THR 80 H THR 80 3.368 -11.622 1.404 596 HA THR 80 HA THR 80 4.779 -13.277 -0.560 597 HB THR 80 HB THR 80 2.296 -13.502 -1.090 598 HG1 THR 80 HG1 THR 80 3.831 -13.870 -2.674 599 HG21 THR 80 HG21 THR 80 2.244 -10.801 -0.651 600 HG22 THR 80 HG22 THR 80 1.017 -11.685 -1.556 601 HG23 THR 80 HG23 THR 80 2.323 -10.866 -2.411 602 H THR 81 H THR 81 5.953 -11.993 -2.094 603 HA THR 81 HA THR 81 5.925 -9.056 -1.569 604 HB THR 81 HB THR 81 7.865 -9.809 -0.417 605 HG1 THR 81 HG1 THR 81 9.540 -9.303 -2.214 606 HG21 THR 81 HG21 THR 81 7.883 -11.818 -2.573 607 HG22 THR 81 HG22 THR 81 8.418 -11.957 -0.898 608 HG23 THR 81 HG23 THR 81 9.481 -11.236 -2.107 609 HA PRO 82 HA PRO 82 5.754 -9.765 -6.101 610 HB2 PRO 82 HB3 PRO 82 3.520 -8.384 -6.621 611 HB3 PRO 82 HB2 PRO 82 3.454 -9.989 -5.866 612 HG2 PRO 82 HG3 PRO 82 3.045 -7.317 -4.657 613 HG3 PRO 82 HG2 PRO 82 2.322 -8.877 -4.231 614 HD2 PRO 82 HD3 PRO 82 4.540 -7.614 -2.952 615 HD3 PRO 82 HD2 PRO 82 3.919 -9.251 -2.648 616 HA PRO 83 HA PRO 83 7.543 -5.544 -6.486 617 HB2 PRO 83 HB3 PRO 83 9.479 -6.159 -8.281 618 HB3 PRO 83 HB2 PRO 83 9.650 -6.494 -6.549 619 HG2 PRO 83 HG3 PRO 83 9.030 -8.342 -8.782 620 HG3 PRO 83 HG2 PRO 83 9.960 -8.624 -7.302 621 HD2 PRO 83 HD3 PRO 83 7.308 -9.415 -7.715 622 HD3 PRO 83 HD2 PRO 83 8.107 -9.283 -6.135 623 H VAL 84 H VAL 84 6.965 -3.971 -7.995 624 HA VAL 84 HA VAL 84 6.168 -4.896 -10.720 625 HB VAL 84 HB VAL 84 4.147 -4.586 -9.254 626 HG11 VAL 84 HG11 VAL 84 5.163 -2.716 -7.913 627 HG12 VAL 84 HG12 VAL 84 3.548 -2.357 -8.520 628 HG13 VAL 84 HG13 VAL 84 4.962 -1.667 -9.316 629 HG21 VAL 84 HG21 VAL 84 3.839 -4.335 -11.621 630 HG22 VAL 84 HG22 VAL 84 4.592 -2.741 -11.614 631 HG23 VAL 84 HG23 VAL 84 3.011 -2.973 -10.867 632 H GLU 85 H GLU 85 6.734 -3.466 -12.361 633 HA GLU 85 HA GLU 85 8.780 -1.537 -11.832 634 HB2 GLU 85 HB3 GLU 85 7.003 -1.893 -14.265 635 HB3 GLU 85 HB2 GLU 85 8.437 -0.867 -14.214 636 HG2 GLU 85 HG3 GLU 85 9.808 -2.849 -13.608 637 HG3 GLU 85 HG2 GLU 85 8.371 -3.863 -13.743 638 H ALA 86 H ALA 86 5.280 -1.245 -12.241 639 HA ALA 86 HA ALA 86 5.433 1.470 -11.079 640 HB1 ALA 86 HB1 ALA 86 5.345 2.340 -13.198 641 HB2 ALA 86 HB2 ALA 86 3.625 1.989 -13.025 642 HB3 ALA 86 HB3 ALA 86 4.672 0.862 -13.886 643 H LYS 87 H LYS 87 3.339 2.176 -10.250 644 HA LYS 87 HA LYS 87 1.813 0.123 -9.025 645 HB2 LYS 87 HB3 LYS 87 1.867 2.507 -8.273 646 HB3 LYS 87 HB2 LYS 87 0.887 2.938 -9.677 647 HG2 LYS 87 HG3 LYS 87 -0.874 1.364 -8.901 648 HG3 LYS 87 HG2 LYS 87 0.093 1.018 -7.467 649 HD2 LYS 87 HD3 LYS 87 0.033 3.457 -6.901 650 HD3 LYS 87 HD2 LYS 87 -1.066 3.705 -8.259 651 HE2 LYS 87 HE3 LYS 87 -1.570 2.422 -5.626 652 HE3 LYS 87 HE2 LYS 87 -2.658 3.362 -6.648 653 HZ1 LYS 87 HZ1 LYS 87 -2.498 1.344 -8.205 654 HZ2 LYS 87 HZ2 LYS 87 -3.481 1.228 -6.825 655 HZ3 LYS 87 HZ3 LYS 87 -1.941 0.511 -6.837 656 H LEU 88 H LEU 88 1.329 1.854 -12.079 657 HA LEU 88 HA LEU 88 -1.181 0.362 -12.570 658 HB2 LEU 88 HB3 LEU 88 0.256 2.357 -14.348 659 HB3 LEU 88 HB2 LEU 88 -1.390 1.761 -14.556 660 HG LEU 88 HG LEU 88 -0.360 3.412 -12.231 661 HD11 LEU 88 HD11 LEU 88 -2.667 4.305 -13.837 662 HD12 LEU 88 HD12 LEU 88 -1.142 4.255 -14.721 663 HD13 LEU 88 HD13 LEU 88 -1.279 5.223 -13.253 664 HD21 LEU 88 HD21 LEU 88 -2.906 1.893 -12.712 665 HD22 LEU 88 HD22 LEU 88 -2.968 3.407 -11.808 666 HD23 LEU 88 HD23 LEU 88 -1.978 2.069 -11.223 667 H GLN 89 H GLN 89 -1.363 -1.256 -14.130 668 HA GLN 89 HA GLN 89 1.138 -2.559 -14.925 669 HB2 GLN 89 HB3 GLN 89 -1.758 -3.244 -15.520 670 HB3 GLN 89 HB2 GLN 89 -0.377 -4.269 -15.912 671 HG2 GLN 89 HG3 GLN 89 0.234 -4.303 -13.490 672 HG3 GLN 89 HG2 GLN 89 -1.232 -3.387 -13.140 673 HE21 GLN 89 HE21 GLN 89 -2.068 -5.282 -15.723 674 HE22 GLN 89 HE22 GLN 89 -2.681 -6.636 -14.902 675 H3 7V9 101 1H1 NIA 101 -10.792 5.915 8.805 676 H4 7V9 101 2H1 NIA 101 -9.640 5.372 7.586 677 H5 7V9 101 1HE1 NIA 101 -11.902 4.414 10.160 678 H6 7V9 101 2HE1 NIA 101 -10.400 4.512 11.079 679 H7 7V9 101 3HE1 NIA 101 -11.112 2.939 10.718 680 H8 7V9 101 2HE2 NIA 101 -8.291 4.911 9.370 681 H9 7V9 101 3HE2 NIA 101 -8.114 3.324 8.623 682 H10 7V9 101 1HE2 NIA 101 -8.490 3.453 10.340 683 H11 7V9 101 3H NIA 101 -10.033 2.616 7.311 684 H12 7V9 101 3HO NIA 101 -12.135 2.703 7.251 685 H13 7V9 101 5H NIA 101 -8.054 1.389 9.581 686 H14 7V9 101 1H6 NIA 101 -7.934 -0.751 8.206 687 H15 7V9 101 2H6 NIA 101 -9.117 0.014 7.146 688 H16 7V9 101 1H7 NIA 101 -6.412 1.241 7.720 689 H17 7V9 101 2H7 NIA 101 -7.549 1.680 6.446 690 H18 7V9 101 9H NIA 101 -5.152 1.064 5.292 691 H19 7V9 101 1H10 NIA 101 -5.638 -1.343 3.811 692 H20 7V9 101 2H10 NIA 101 -6.856 -0.139 3.391 693 H21 7V9 101 1H11 NIA 101 -4.052 0.825 3.414 694 H22 7V9 101 2H11 NIA 101 -5.359 1.185 2.287 695 H25 7V9 101 5H1 NIA 101 -0.791 -2.072 1.362 696 H26 7V9 101 7H1 NIA 101 -1.610 -3.148 -2.606 697 H27 7V9 101 8H1 NIA 101 -3.320 -1.351 -2.767 698 H28 7V9 101 9H1 NIA 101 -3.556 0.274 -0.918 Start of MODEL 4 1 H1 MET 1 H1 MET 1 14.785 -1.148 0.026 2 H2 MET 1 H2 MET 1 14.805 -2.113 -1.371 3 H3 MET 1 H3 MET 1 15.526 -2.673 0.061 4 HA MET 1 HA MET 1 13.553 -3.180 1.056 5 HB2 MET 1 HB3 MET 1 11.384 -2.163 0.174 6 HB3 MET 1 HB2 MET 1 12.482 -1.051 0.988 7 HG2 MET 1 HG3 MET 1 13.418 -0.540 -1.363 8 HG3 MET 1 HG2 MET 1 11.980 -1.356 -1.974 9 HE1 MET 1 HE1 MET 1 12.480 2.547 0.229 10 HE2 MET 1 HE2 MET 1 13.535 1.138 0.178 11 HE3 MET 1 HE3 MET 1 12.208 1.195 1.336 12 H GLN 2 H GLN 2 12.823 -5.168 0.520 13 HA GLN 2 HA GLN 2 13.228 -6.310 -2.049 14 HB2 GLN 2 HB3 GLN 2 12.970 -7.558 0.132 15 HB3 GLN 2 HB2 GLN 2 11.235 -7.263 0.022 16 HG2 GLN 2 HG3 GLN 2 11.551 -9.411 -0.948 17 HG3 GLN 2 HG2 GLN 2 11.369 -8.312 -2.317 18 HE21 GLN 2 HE21 GLN 2 12.950 -8.560 -3.895 19 HE22 GLN 2 HE22 GLN 2 14.515 -9.159 -3.623 20 H HIS 3 H HIS 3 10.248 -4.994 -0.566 21 HA HIS 3 HA HIS 3 9.169 -4.628 -3.299 22 HB2 HIS 3 HB3 HIS 3 7.658 -6.154 -1.160 23 HB3 HIS 3 HB2 HIS 3 7.046 -5.733 -2.758 24 HD1 HIS 3 HD1 HIS 3 8.914 -6.599 -4.750 25 HD2 HIS 3 HD2 HIS 3 8.630 -8.729 -1.176 26 HE1 HIS 3 HE1 HIS 3 9.872 -8.900 -5.209 27 HE2 HIS 3 HE2 HIS 3 9.702 -10.205 -3.040 28 H ALA 4 H ALA 4 9.747 -3.312 -0.342 29 HA ALA 4 HA ALA 4 7.289 -1.996 0.283 30 HB1 ALA 4 HB1 ALA 4 9.608 -2.143 1.585 31 HB2 ALA 4 HB2 ALA 4 8.486 -0.811 1.858 32 HB3 ALA 4 HB3 ALA 4 9.873 -0.589 0.794 33 H SER 5 H SER 5 9.850 -1.227 -2.021 34 HA SER 5 HA SER 5 9.132 1.471 -2.553 35 HB2 SER 5 HB3 SER 5 10.301 1.210 -4.655 36 HB3 SER 5 HB2 SER 5 11.170 0.274 -3.443 37 HG SER 5 HG SER 5 10.137 -0.571 -5.714 38 H VAL 6 H VAL 6 7.767 -1.571 -3.719 39 HA VAL 6 HA VAL 6 6.064 -0.415 -5.721 40 HB VAL 6 HB VAL 6 5.816 -2.969 -4.127 41 HG11 VAL 6 HG11 VAL 6 4.117 -1.749 -6.273 42 HG12 VAL 6 HG12 VAL 6 3.628 -2.681 -4.857 43 HG13 VAL 6 HG13 VAL 6 4.331 -3.500 -6.252 44 HG21 VAL 6 HG21 VAL 6 7.526 -2.180 -6.232 45 HG22 VAL 6 HG22 VAL 6 6.312 -3.231 -6.961 46 HG23 VAL 6 HG23 VAL 6 7.287 -3.814 -5.611 47 H ILE 7 H ILE 7 5.674 -1.052 -2.273 48 HA ILE 7 HA ILE 7 2.897 -0.456 -2.082 49 HB ILE 7 HB ILE 7 5.027 0.057 -0.005 50 HG12 ILE 7 HG13 ILE 7 5.248 -2.230 -0.728 51 HG13 ILE 7 HG12 ILE 7 4.366 -2.239 0.795 52 HG21 ILE 7 HG21 ILE 7 3.052 -0.494 1.518 53 HG22 ILE 7 HG22 ILE 7 2.032 -0.317 0.090 54 HG23 ILE 7 HG23 ILE 7 2.972 1.055 0.678 55 HD11 ILE 7 HD11 ILE 7 3.319 -2.690 -1.978 56 HD12 ILE 7 HD12 ILE 7 2.245 -2.135 -0.695 57 HD13 ILE 7 HD13 ILE 7 3.089 -3.675 -0.535 58 H ALA 8 H ALA 8 5.741 1.659 -1.658 59 HA ALA 8 HA ALA 8 4.246 4.020 -1.071 60 HB1 ALA 8 HB1 ALA 8 7.029 3.431 -1.963 61 HB2 ALA 8 HB2 ALA 8 6.468 4.331 -0.555 62 HB3 ALA 8 HB3 ALA 8 6.447 5.086 -2.150 63 H GLN 9 H GLN 9 5.639 2.904 -4.172 64 HA GLN 9 HA GLN 9 4.498 5.100 -5.645 65 HB2 GLN 9 HB3 GLN 9 5.336 4.068 -7.592 66 HB3 GLN 9 HB2 GLN 9 6.473 3.591 -6.334 67 HG2 GLN 9 HG3 GLN 9 6.040 1.560 -7.404 68 HG3 GLN 9 HG2 GLN 9 4.906 1.527 -6.058 69 HE21 GLN 9 HE21 GLN 9 3.190 0.346 -7.053 70 HE22 GLN 9 HE22 GLN 9 2.355 0.901 -8.422 71 H PHE 10 H PHE 10 3.456 1.746 -5.110 72 HA PHE 10 HA PHE 10 1.164 1.844 -6.806 73 HB2 PHE 10 HB3 PHE 10 2.100 -0.244 -5.801 74 HB3 PHE 10 HB2 PHE 10 1.495 0.279 -4.230 75 HD1 PHE 10 HD1 PHE 10 0.511 -0.779 -7.643 76 HD2 PHE 10 HD2 PHE 10 -0.845 0.165 -3.678 77 HE1 PHE 10 HE1 PHE 10 -1.717 -1.725 -8.181 78 HE2 PHE 10 HE2 PHE 10 -3.074 -0.780 -4.216 79 HZ PHE 10 HZ PHE 10 -3.510 -1.726 -6.466 80 H VAL 11 H VAL 11 1.525 2.537 -3.335 81 HA VAL 11 HA VAL 11 -1.232 3.237 -2.921 82 HB VAL 11 HB VAL 11 1.263 4.050 -1.399 83 HG11 VAL 11 HG11 VAL 11 -1.685 4.346 -0.829 84 HG12 VAL 11 HG12 VAL 11 -0.430 5.582 -0.760 85 HG13 VAL 11 HG13 VAL 11 -0.491 4.318 0.469 86 HG21 VAL 11 HG21 VAL 11 0.948 2.138 -0.091 87 HG22 VAL 11 HG22 VAL 11 0.499 1.547 -1.690 88 HG23 VAL 11 HG23 VAL 11 -0.754 1.995 -0.532 89 H VAL 12 H VAL 12 1.679 5.226 -3.478 90 HA VAL 12 HA VAL 12 0.306 7.741 -3.442 91 HB VAL 12 HB VAL 12 2.915 6.904 -4.702 92 HG11 VAL 12 HG11 VAL 12 2.222 8.866 -5.881 93 HG12 VAL 12 HG12 VAL 12 3.352 9.419 -4.645 94 HG13 VAL 12 HG13 VAL 12 1.615 9.618 -4.406 95 HG21 VAL 12 HG21 VAL 12 3.832 7.266 -2.662 96 HG22 VAL 12 HG22 VAL 12 2.182 7.200 -2.042 97 HG23 VAL 12 HG23 VAL 12 2.916 8.755 -2.433 98 H GLU 13 H GLU 13 0.984 5.436 -6.023 99 HA GLU 13 HA GLU 13 0.442 7.014 -8.275 100 HB2 GLU 13 HB3 GLU 13 1.183 4.635 -8.347 101 HB3 GLU 13 HB2 GLU 13 -0.439 4.152 -7.870 102 HG2 GLU 13 HG3 GLU 13 -1.325 5.335 -9.894 103 HG3 GLU 13 HG2 GLU 13 0.343 5.618 -10.387 104 H GLU 14 H GLU 14 -1.831 5.510 -6.027 105 HA GLU 14 HA GLU 14 -4.195 6.074 -7.558 106 HB2 GLU 14 HB3 GLU 14 -3.816 5.654 -4.582 107 HB3 GLU 14 HB2 GLU 14 -5.383 5.712 -5.391 108 HG2 GLU 14 HG3 GLU 14 -4.686 3.812 -6.833 109 HG3 GLU 14 HG2 GLU 14 -3.158 3.729 -5.954 110 H PHE 15 H PHE 15 -2.403 7.963 -5.148 111 HA PHE 15 HA PHE 15 -4.479 10.069 -5.239 112 HB2 PHE 15 HB3 PHE 15 -1.863 10.029 -3.711 113 HB3 PHE 15 HB2 PHE 15 -3.207 11.142 -3.467 114 HD1 PHE 15 HD1 PHE 15 -1.917 7.794 -2.873 115 HD2 PHE 15 HD2 PHE 15 -5.381 10.307 -2.567 116 HE1 PHE 15 HE1 PHE 15 -2.965 6.153 -1.346 117 HE2 PHE 15 HE2 PHE 15 -6.435 8.669 -1.030 118 HZ PHE 15 HZ PHE 15 -5.227 6.590 -0.419 119 H LEU 16 H LEU 16 -0.900 10.124 -5.564 120 HA LEU 16 HA LEU 16 -1.271 12.196 -7.698 121 HB2 LEU 16 HB3 LEU 16 0.341 12.212 -5.229 122 HB3 LEU 16 HB2 LEU 16 1.209 12.731 -6.674 123 HG LEU 16 HG LEU 16 -0.614 14.338 -7.175 124 HD11 LEU 16 HD11 LEU 16 -1.841 12.890 -4.912 125 HD12 LEU 16 HD12 LEU 16 -2.609 13.757 -6.243 126 HD13 LEU 16 HD13 LEU 16 -2.013 14.644 -4.841 127 HD21 LEU 16 HD21 LEU 16 1.360 14.523 -5.203 128 HD22 LEU 16 HD22 LEU 16 -0.093 15.148 -4.422 129 HD23 LEU 16 HD23 LEU 16 0.481 15.871 -5.925 130 HA PRO 17 HA PRO 17 1.311 8.814 -9.446 131 HB2 PRO 17 HB3 PRO 17 -0.118 8.481 -11.738 132 HB3 PRO 17 HB2 PRO 17 -0.546 7.687 -10.213 133 HG2 PRO 17 HG3 PRO 17 -1.810 9.977 -11.558 134 HG3 PRO 17 HG2 PRO 17 -2.511 8.763 -10.480 135 HD2 PRO 17 HD3 PRO 17 -1.778 11.403 -9.778 136 HD3 PRO 17 HD2 PRO 17 -2.219 10.096 -8.660 137 H ASP 18 H ASP 18 0.206 11.887 -10.685 138 HA ASP 18 HA ASP 18 1.962 11.912 -13.006 139 HB2 ASP 18 HB3 ASP 18 0.454 14.096 -11.562 140 HB3 ASP 18 HB2 ASP 18 1.365 14.352 -13.045 141 H VAL 19 H VAL 19 2.522 12.060 -9.747 142 HA VAL 19 HA VAL 19 4.958 13.762 -10.086 143 HB VAL 19 HB VAL 19 3.515 13.023 -7.520 144 HG11 VAL 19 HG11 VAL 19 5.657 15.102 -8.053 145 HG12 VAL 19 HG12 VAL 19 5.978 13.508 -7.368 146 HG13 VAL 19 HG13 VAL 19 4.976 14.663 -6.487 147 HG21 VAL 19 HG21 VAL 19 2.570 15.223 -7.540 148 HG22 VAL 19 HG22 VAL 19 2.268 14.555 -9.143 149 HG23 VAL 19 HG23 VAL 19 3.574 15.715 -8.904 150 H ALA 20 H ALA 20 6.957 12.825 -9.515 151 HA ALA 20 HA ALA 20 7.164 10.001 -9.675 152 HB1 ALA 20 HB1 ALA 20 8.956 11.975 -9.907 153 HB2 ALA 20 HB2 ALA 20 9.443 10.321 -9.536 154 HB3 ALA 20 HB3 ALA 20 9.298 11.508 -8.241 155 HA PRO 21 HA PRO 21 5.791 9.301 -5.418 156 HB2 PRO 21 HB3 PRO 21 6.230 6.564 -5.393 157 HB3 PRO 21 HB2 PRO 21 4.752 7.354 -5.972 158 HG2 PRO 21 HG3 PRO 21 6.989 6.187 -7.498 159 HG3 PRO 21 HG2 PRO 21 5.276 6.329 -7.917 160 HD2 PRO 21 HD3 PRO 21 7.268 7.924 -8.958 161 HD3 PRO 21 HD2 PRO 21 5.554 8.390 -8.885 162 H ALA 22 H ALA 22 8.876 8.369 -6.747 163 HA ALA 22 HA ALA 22 10.108 7.591 -4.243 164 HB1 ALA 22 HB1 ALA 22 11.924 8.727 -6.238 165 HB2 ALA 22 HB2 ALA 22 10.842 7.516 -6.923 166 HB3 ALA 22 HB3 ALA 22 11.881 7.098 -5.563 167 H ASP 23 H ASP 23 9.185 10.591 -5.587 168 HA ASP 23 HA ASP 23 11.227 12.179 -4.206 169 HB2 ASP 23 HB3 ASP 23 8.687 12.949 -5.673 170 HB3 ASP 23 HB2 ASP 23 9.817 14.112 -4.979 171 H VAL 24 H VAL 24 8.714 10.430 -3.108 172 HA VAL 24 HA VAL 24 7.831 12.453 -1.112 173 HB VAL 24 HB VAL 24 6.750 9.667 -1.647 174 HG11 VAL 24 HG11 VAL 24 4.811 11.304 -0.460 175 HG12 VAL 24 HG12 VAL 24 6.296 11.661 0.424 176 HG13 VAL 24 HG13 VAL 24 5.705 10.002 0.325 177 HG21 VAL 24 HG21 VAL 24 4.821 11.021 -2.638 178 HG22 VAL 24 HG22 VAL 24 6.304 10.993 -3.593 179 HG23 VAL 24 HG23 VAL 24 5.909 12.409 -2.618 180 H ASP 25 H ASP 25 8.404 12.221 1.041 181 HA ASP 25 HA ASP 25 10.625 10.533 1.699 182 HB2 ASP 25 HB3 ASP 25 8.659 12.014 3.472 183 HB3 ASP 25 HB2 ASP 25 10.126 11.231 4.060 184 H VAL 26 H VAL 26 9.955 8.384 1.124 185 HA VAL 26 HA VAL 26 7.588 7.131 2.133 186 HB VAL 26 HB VAL 26 8.632 5.036 1.487 187 HG11 VAL 26 HG11 VAL 26 8.433 7.316 -0.193 188 HG12 VAL 26 HG12 VAL 26 8.356 5.620 -0.669 189 HG13 VAL 26 HG13 VAL 26 9.905 6.463 -0.661 190 HG21 VAL 26 HG21 VAL 26 11.083 5.163 0.715 191 HG22 VAL 26 HG22 VAL 26 10.802 5.183 2.456 192 HG23 VAL 26 HG23 VAL 26 11.164 6.684 1.604 193 H ASP 27 H ASP 27 10.105 8.373 3.859 194 HA ASP 27 HA ASP 27 10.173 6.225 5.902 195 HB2 ASP 27 HB3 ASP 27 11.628 8.879 5.689 196 HB3 ASP 27 HB2 ASP 27 11.830 7.742 7.023 197 H LEU 28 H LEU 28 8.067 8.557 5.123 198 HA LEU 28 HA LEU 28 7.585 9.514 7.893 199 HB2 LEU 28 HB3 LEU 28 7.580 11.141 5.993 200 HB3 LEU 28 HB2 LEU 28 6.186 10.301 5.322 201 HG LEU 28 HG LEU 28 5.957 11.077 8.176 202 HD11 LEU 28 HD11 LEU 28 7.054 13.076 7.371 203 HD12 LEU 28 HD12 LEU 28 5.332 13.427 7.505 204 HD13 LEU 28 HD13 LEU 28 6.045 13.105 5.925 205 HD21 LEU 28 HD21 LEU 28 4.224 10.071 6.422 206 HD22 LEU 28 HD22 LEU 28 4.018 11.769 5.998 207 HD23 LEU 28 HD23 LEU 28 3.700 11.227 7.646 208 H ASP 29 H ASP 29 5.806 8.849 9.066 209 HA ASP 29 HA ASP 29 4.516 6.413 8.362 210 HB2 ASP 29 HB3 ASP 29 3.680 8.582 10.313 211 HB3 ASP 29 HB2 ASP 29 2.918 6.994 10.214 212 H LEU 30 H LEU 30 2.983 6.100 6.834 213 HA LEU 30 HA LEU 30 1.819 8.263 5.378 214 HB2 LEU 30 HB3 LEU 30 0.405 6.527 4.328 215 HB3 LEU 30 HB2 LEU 30 2.093 6.022 4.402 216 HG LEU 30 HG LEU 30 0.695 5.257 6.825 217 HD11 LEU 30 HD11 LEU 30 -0.492 4.442 4.167 218 HD12 LEU 30 HD12 LEU 30 -1.328 5.084 5.582 219 HD13 LEU 30 HD13 LEU 30 -0.667 3.450 5.614 220 HD21 LEU 30 HD21 LEU 30 1.609 3.055 6.214 221 HD22 LEU 30 HD22 LEU 30 2.829 4.311 6.001 222 HD23 LEU 30 HD23 LEU 30 1.987 3.653 4.599 223 H VAL 31 H VAL 31 1.212 7.571 8.489 224 HA VAL 31 HA VAL 31 -1.570 7.301 8.784 225 HB VAL 31 HB VAL 31 0.247 7.479 10.614 226 HG11 VAL 31 HG11 VAL 31 -0.501 10.407 10.484 227 HG12 VAL 31 HG12 VAL 31 0.966 9.774 9.736 228 HG13 VAL 31 HG13 VAL 31 0.740 9.648 11.481 229 HG21 VAL 31 HG21 VAL 31 -2.457 8.828 10.808 230 HG22 VAL 31 HG22 VAL 31 -1.440 8.530 12.218 231 HG23 VAL 31 HG23 VAL 31 -2.040 7.175 11.261 232 H ASP 32 H ASP 32 0.336 10.179 8.009 233 HA ASP 32 HA ASP 32 -1.766 12.095 8.153 234 HB2 ASP 32 HB3 ASP 32 0.633 11.950 6.296 235 HB3 ASP 32 HB2 ASP 32 -0.414 13.360 6.447 236 H ASN 33 H ASN 33 -0.820 9.760 5.709 237 HA ASN 33 HA ASN 33 -2.894 10.653 3.831 238 HB2 ASN 33 HB3 ASN 33 -1.067 8.247 3.739 239 HB3 ASN 33 HB2 ASN 33 -2.087 8.815 2.419 240 HD21 ASN 33 HD21 ASN 33 1.021 8.737 3.018 241 HD22 ASN 33 HD22 ASN 33 1.525 10.277 2.515 242 H GLY 34 H GLY 34 -3.382 9.463 6.625 243 HA2 GLY 34 HA3 GLY 34 -4.442 6.917 6.654 244 HA3 GLY 34 HA2 GLY 34 -5.214 8.259 7.502 245 H VAL 35 H VAL 35 -5.403 9.478 4.616 246 HA VAL 35 HA VAL 35 -8.141 9.015 4.161 247 HB VAL 35 HB VAL 35 -5.915 9.707 2.221 248 HG11 VAL 35 HG11 VAL 35 -8.914 9.600 1.807 249 HG12 VAL 35 HG12 VAL 35 -7.674 8.742 0.892 250 HG13 VAL 35 HG13 VAL 35 -7.822 10.493 0.748 251 HG21 VAL 35 HG21 VAL 35 -8.138 11.480 3.232 252 HG22 VAL 35 HG22 VAL 35 -6.584 11.950 2.545 253 HG23 VAL 35 HG23 VAL 35 -6.659 11.258 4.165 254 H ILE 36 H ILE 36 -5.324 7.192 3.075 255 HA ILE 36 HA ILE 36 -6.748 5.438 1.287 256 HB ILE 36 HB ILE 36 -4.188 5.883 1.495 257 HG12 ILE 36 HG13 ILE 36 -5.537 3.230 1.015 258 HG13 ILE 36 HG12 ILE 36 -4.846 4.347 -0.163 259 HG21 ILE 36 HG21 ILE 36 -2.979 4.535 3.018 260 HG22 ILE 36 HG22 ILE 36 -4.370 3.497 3.336 261 HG23 ILE 36 HG23 ILE 36 -4.331 5.139 3.976 262 HD11 ILE 36 HD11 ILE 36 -3.167 2.758 -0.106 263 HD12 ILE 36 HD12 ILE 36 -3.474 2.341 1.579 264 HD13 ILE 36 HD13 ILE 36 -2.609 3.825 1.181 265 H ASP 37 H ASP 37 -6.357 5.535 4.733 266 HA ASP 37 HA ASP 37 -6.635 2.828 5.432 267 HB2 ASP 37 HB3 ASP 37 -7.772 5.269 6.819 268 HB3 ASP 37 HB2 ASP 37 -7.678 3.664 7.539 269 H SER 38 H SER 38 -9.126 5.086 4.329 270 HA SER 38 HA SER 38 -11.098 2.849 4.565 271 HB2 SER 38 2HB SER 38 -11.534 5.836 4.687 272 HB3 SER 38 1HB SER 38 -12.836 4.653 4.631 273 H LEU 39 H LEU 39 -10.786 5.852 2.629 274 HA LEU 39 HA LEU 39 -12.315 4.838 0.461 275 HB2 LEU 39 HB3 LEU 39 -11.878 7.226 0.756 276 HB3 LEU 39 HB2 LEU 39 -10.171 6.956 0.423 277 HG LEU 39 HG LEU 39 -10.713 6.149 -1.822 278 HD11 LEU 39 HD11 LEU 39 -13.227 6.684 -2.476 279 HD12 LEU 39 HD12 LEU 39 -13.501 6.403 -0.757 280 HD13 LEU 39 HD13 LEU 39 -12.800 5.131 -1.757 281 HD21 LEU 39 HD21 LEU 39 -11.710 8.809 -0.887 282 HD22 LEU 39 HD22 LEU 39 -11.968 8.351 -2.570 283 HD23 LEU 39 HD23 LEU 39 -10.330 8.436 -1.919 284 H GLY 40 H GLY 40 -8.778 5.126 0.765 285 HA2 GLY 40 HA3 GLY 40 -8.280 3.678 -1.682 286 HA3 GLY 40 HA2 GLY 40 -7.083 4.046 -0.447 287 H LEU 41 H LEU 41 -8.433 2.790 1.737 288 HA LEU 41 HA LEU 41 -7.456 0.131 1.492 289 HB2 LEU 41 HB3 LEU 41 -7.892 1.337 3.655 290 HB3 LEU 41 HB2 LEU 41 -9.617 1.097 3.390 291 HG LEU 41 HG LEU 41 -7.939 -1.340 3.159 292 HD11 LEU 41 HD11 LEU 41 -8.497 -0.066 5.856 293 HD12 LEU 41 HD12 LEU 41 -6.908 -0.130 5.093 294 HD13 LEU 41 HD13 LEU 41 -7.717 -1.620 5.573 295 HD21 LEU 41 HD21 LEU 41 -10.541 -0.637 4.558 296 HD22 LEU 41 HD22 LEU 41 -9.863 -2.261 4.454 297 HD23 LEU 41 HD23 LEU 41 -10.384 -1.429 2.991 298 H LEU 42 H LEU 42 -10.716 1.469 1.075 299 HA LEU 42 HA LEU 42 -12.053 -1.031 0.702 300 HB2 LEU 42 HB3 LEU 42 -13.217 1.160 1.034 301 HB3 LEU 42 HB2 LEU 42 -12.718 1.630 -0.583 302 HG LEU 42 HG LEU 42 -13.881 -0.409 -1.476 303 HD11 LEU 42 HD11 LEU 42 -15.715 -1.167 0.282 304 HD12 LEU 42 HD12 LEU 42 -14.492 -0.653 1.442 305 HD13 LEU 42 HD13 LEU 42 -14.117 -1.913 0.269 306 HD21 LEU 42 HD21 LEU 42 -15.759 1.348 0.117 307 HD22 LEU 42 HD22 LEU 42 -16.037 0.613 -1.461 308 HD23 LEU 42 HD23 LEU 42 -14.892 1.945 -1.297 309 H LYS 43 H LYS 43 -10.484 1.181 -1.608 310 HA LYS 43 HA LYS 43 -11.071 -0.373 -3.942 311 HB2 LYS 43 HB3 LYS 43 -8.830 1.572 -3.369 312 HB3 LYS 43 HB2 LYS 43 -9.208 0.931 -4.963 313 HG2 LYS 43 HG3 LYS 43 -11.517 1.860 -4.742 314 HG3 LYS 43 HG2 LYS 43 -11.038 2.595 -3.212 315 HD2 LYS 43 HD3 LYS 43 -9.219 3.814 -4.418 316 HD3 LYS 43 HD2 LYS 43 -9.832 3.157 -5.936 317 HE2 LYS 43 HE3 LYS 43 -12.002 4.312 -4.422 318 HE3 LYS 43 HE2 LYS 43 -10.708 5.494 -4.610 319 HZ1 LYS 43 HZ1 LYS 43 -12.461 5.279 -6.454 320 HZ2 LYS 43 HZ2 LYS 43 -11.606 3.883 -6.908 321 HZ3 LYS 43 HZ3 LYS 43 -10.828 5.393 -6.899 322 H VAL 44 H VAL 44 -8.401 -0.399 -1.623 323 HA VAL 44 HA VAL 44 -6.693 -2.188 -3.047 324 HB VAL 44 HB VAL 44 -7.023 -1.711 -0.074 325 HG11 VAL 44 HG11 VAL 44 -5.184 -3.470 -1.653 326 HG12 VAL 44 HG12 VAL 44 -5.903 -3.742 -0.066 327 HG13 VAL 44 HG13 VAL 44 -4.539 -2.637 -0.239 328 HG21 VAL 44 HG21 VAL 44 -5.681 0.086 -0.376 329 HG22 VAL 44 HG22 VAL 44 -6.018 -0.081 -2.099 330 HG23 VAL 44 HG23 VAL 44 -4.577 -0.825 -1.407 331 H ILE 45 H ILE 45 -9.339 -2.793 -0.751 332 HA ILE 45 HA ILE 45 -8.971 -5.598 -0.496 333 HB ILE 45 HB ILE 45 -11.158 -3.654 -0.046 334 HG12 ILE 45 HG13 ILE 45 -11.211 -4.715 2.112 335 HG13 ILE 45 HG12 ILE 45 -10.316 -6.109 1.513 336 HG21 ILE 45 HG21 ILE 45 -12.474 -5.185 -1.328 337 HG22 ILE 45 HG22 ILE 45 -12.774 -5.580 0.362 338 HG23 ILE 45 HG23 ILE 45 -11.685 -6.583 -0.596 339 HD11 ILE 45 HD11 ILE 45 -9.141 -4.046 2.813 340 HD12 ILE 45 HD12 ILE 45 -9.000 -3.476 1.153 341 HD13 ILE 45 HD13 ILE 45 -8.303 -5.028 1.612 342 H ALA 46 H ALA 46 -11.085 -3.792 -2.758 343 HA ALA 46 HA ALA 46 -11.897 -6.145 -4.204 344 HB1 ALA 46 HB1 ALA 46 -11.912 -3.198 -4.883 345 HB2 ALA 46 HB2 ALA 46 -13.279 -4.211 -4.419 346 HB3 ALA 46 HB3 ALA 46 -12.518 -4.425 -5.995 347 H TRP 47 H TRP 47 -9.292 -3.786 -4.663 348 HA TRP 47 HA TRP 47 -8.407 -4.830 -7.198 349 HB2 TRP 47 HB3 TRP 47 -7.764 -2.594 -6.542 350 HB3 TRP 47 HB2 TRP 47 -6.999 -3.195 -5.073 351 HD1 TRP 47 HD1 TRP 47 -6.558 -3.146 -8.876 352 HE1 TRP 47 HE1 TRP 47 -4.095 -3.670 -9.421 353 HE3 TRP 47 HE3 TRP 47 -4.846 -4.305 -4.207 354 HZ2 TRP 47 HZ2 TRP 47 -1.711 -4.474 -8.060 355 HZ3 TRP 47 HZ3 TRP 47 -2.478 -4.945 -3.860 356 HH2 TRP 47 HH2 TRP 47 -0.909 -5.032 -5.778 357 H LEU 48 H LEU 48 -7.391 -5.405 -3.841 358 HA LEU 48 HA LEU 48 -5.215 -7.137 -4.449 359 HB2 LEU 48 HB3 LEU 48 -5.731 -6.076 -2.212 360 HB3 LEU 48 HB2 LEU 48 -7.004 -7.268 -2.015 361 HG LEU 48 HG LEU 48 -5.133 -8.999 -2.533 362 HD11 LEU 48 HD11 LEU 48 -3.664 -6.697 -2.857 363 HD12 LEU 48 HD12 LEU 48 -2.979 -8.291 -2.537 364 HD13 LEU 48 HD13 LEU 48 -3.259 -7.166 -1.208 365 HD21 LEU 48 HD21 LEU 48 -5.853 -9.270 -0.382 366 HD22 LEU 48 HD22 LEU 48 -5.843 -7.536 -0.062 367 HD23 LEU 48 HD23 LEU 48 -4.341 -8.456 0.025 368 H GLU 49 H GLU 49 -8.630 -7.874 -3.697 369 HA GLU 49 HA GLU 49 -8.314 -10.721 -4.001 370 HB2 GLU 49 HB3 GLU 49 -10.202 -9.769 -2.762 371 HB3 GLU 49 HB2 GLU 49 -10.796 -8.991 -4.220 372 HG2 GLU 49 HG3 GLU 49 -11.071 -11.214 -5.273 373 HG3 GLU 49 HG2 GLU 49 -10.525 -11.971 -3.785 374 H ASP 50 H ASP 50 -9.160 -8.116 -6.242 375 HA ASP 50 HA ASP 50 -10.026 -9.734 -8.406 376 HB2 ASP 50 HB3 ASP 50 -10.216 -7.234 -8.253 377 HB3 ASP 50 HB2 ASP 50 -8.495 -7.144 -8.620 378 H ARG 51 H ARG 51 -6.745 -8.563 -7.623 379 HA ARG 51 HA ARG 51 -5.634 -10.077 -9.878 380 HB2 ARG 51 HB3 ARG 51 -4.359 -8.380 -7.723 381 HB3 ARG 51 HB2 ARG 51 -3.462 -9.162 -9.021 382 HG2 ARG 51 HG3 ARG 51 -4.895 -7.962 -10.681 383 HG3 ARG 51 HG2 ARG 51 -5.663 -7.107 -9.344 384 HD2 ARG 51 HD3 ARG 51 -3.384 -6.293 -8.651 385 HD3 ARG 51 HD2 ARG 51 -2.740 -7.002 -10.132 386 HE ARG 51 HE ARG 51 -4.974 -5.141 -10.541 387 HH11 ARG 51 HH11 ARG 51 -4.444 -3.288 -11.723 388 HH12 ARG 51 HH12 ARG 51 -2.779 -2.903 -12.004 389 HH21 ARG 51 HH21 ARG 51 -1.577 -5.665 -10.285 390 HH22 ARG 51 HH22 ARG 51 -1.155 -4.249 -11.190 391 H PHE 52 H PHE 52 -5.241 -10.170 -6.307 392 HA PHE 52 HA PHE 52 -3.682 -12.625 -6.483 393 HB2 PHE 52 HB3 PHE 52 -4.858 -11.115 -4.141 394 HB3 PHE 52 HB2 PHE 52 -3.845 -12.546 -3.980 395 HD1 PHE 52 HD1 PHE 52 -3.926 -8.985 -4.795 396 HD2 PHE 52 HD2 PHE 52 -1.477 -12.512 -4.720 397 HE1 PHE 52 HE1 PHE 52 -1.897 -7.580 -5.031 398 HE2 PHE 52 HE2 PHE 52 0.553 -11.107 -4.956 399 HZ PHE 52 HZ PHE 52 0.344 -8.641 -5.113 400 H GLY 53 H GLY 53 -7.079 -11.874 -6.054 401 HA2 GLY 53 HA3 GLY 53 -8.895 -13.401 -6.105 402 HA3 GLY 53 HA2 GLY 53 -7.727 -14.710 -6.287 403 H ILE 54 H ILE 54 -7.501 -12.362 -3.692 404 HA ILE 54 HA ILE 54 -8.034 -14.572 -1.758 405 HB ILE 54 HB ILE 54 -6.596 -11.932 -1.342 406 HG12 ILE 54 HG13 ILE 54 -5.399 -14.707 -1.492 407 HG13 ILE 54 HG12 ILE 54 -5.519 -13.656 -2.903 408 HG21 ILE 54 HG21 ILE 54 -5.833 -13.046 0.758 409 HG22 ILE 54 HG22 ILE 54 -6.903 -14.400 0.397 410 HG23 ILE 54 HG23 ILE 54 -7.579 -12.804 0.720 411 HD11 ILE 54 HD11 ILE 54 -4.159 -12.884 -0.307 412 HD12 ILE 54 HD12 ILE 54 -4.193 -11.943 -1.798 413 HD13 ILE 54 HD13 ILE 54 -3.314 -13.471 -1.740 414 H ALA 55 H ALA 55 -9.550 -14.256 -0.099 415 HA ALA 55 HA ALA 55 -11.762 -12.548 -0.629 416 HB1 ALA 55 HB1 ALA 55 -10.873 -14.019 1.858 417 HB2 ALA 55 HB2 ALA 55 -12.161 -14.461 0.736 418 HB3 ALA 55 HB3 ALA 55 -12.363 -13.074 1.808 419 H ALA 56 H ALA 56 -12.449 -10.631 0.470 420 HA ALA 56 HA ALA 56 -10.478 -8.646 0.837 421 HB1 ALA 56 HB1 ALA 56 -12.907 -8.209 0.445 422 HB2 ALA 56 HB2 ALA 56 -12.258 -7.279 1.795 423 HB3 ALA 56 HB3 ALA 56 -13.234 -8.715 2.101 424 H ASP 57 H ASP 57 -11.907 -10.888 3.159 425 HA ASP 57 HA ASP 57 -11.376 -11.308 5.407 426 HB2 ASP 57 HB3 ASP 57 -8.734 -10.186 4.455 427 HB3 ASP 57 HB2 ASP 57 -8.968 -11.010 5.992 428 H ASP 58 H ASP 58 -12.796 -8.956 5.046 429 HA ASP 58 HA ASP 58 -11.402 -6.840 6.565 430 HB2 ASP 58 HB3 ASP 58 -14.145 -6.964 5.303 431 HB3 ASP 58 HB2 ASP 58 -13.520 -5.559 6.163 432 H VAL 59 H VAL 59 -12.663 -9.599 7.544 433 HA VAL 59 HA VAL 59 -14.732 -9.006 9.376 434 HB VAL 59 HB VAL 59 -12.504 -11.038 9.553 435 HG11 VAL 59 HG11 VAL 59 -14.068 -12.180 11.173 436 HG12 VAL 59 HG12 VAL 59 -15.018 -10.695 11.205 437 HG13 VAL 59 HG13 VAL 59 -13.354 -10.690 11.787 438 HG21 VAL 59 HG21 VAL 59 -15.411 -11.240 8.709 439 HG22 VAL 59 HG22 VAL 59 -14.278 -12.589 8.794 440 HG23 VAL 59 HG23 VAL 59 -14.021 -11.294 7.625 441 H GLU 60 H GLU 60 -11.210 -8.792 9.770 442 HA GLU 60 HA GLU 60 -11.684 -7.321 12.337 443 HB2 GLU 60 HB3 GLU 60 -9.235 -8.876 11.454 444 HB3 GLU 60 HB2 GLU 60 -9.409 -8.023 12.984 445 HG2 GLU 60 HG3 GLU 60 -11.347 -9.450 13.537 446 HG3 GLU 60 HG2 GLU 60 -11.110 -10.328 12.032 447 H LEU 61 H LEU 61 -10.810 -5.265 12.498 448 HA LEU 61 HA LEU 61 -9.454 -4.232 10.053 449 HB2 LEU 61 HB3 LEU 61 -10.459 -2.366 12.138 450 HB3 LEU 61 HB2 LEU 61 -10.519 -2.226 10.387 451 HG LEU 61 HG LEU 61 -12.272 -3.994 12.099 452 HD11 LEU 61 HD11 LEU 61 -12.497 -1.286 11.090 453 HD12 LEU 61 HD12 LEU 61 -13.565 -2.155 12.193 454 HD13 LEU 61 HD13 LEU 61 -13.787 -2.304 10.450 455 HD21 LEU 61 HD21 LEU 61 -12.436 -5.275 10.236 456 HD22 LEU 61 HD22 LEU 61 -11.573 -4.089 9.258 457 HD23 LEU 61 HD23 LEU 61 -13.307 -3.921 9.519 458 H SER 62 H SER 62 -7.408 -3.329 10.235 459 HA SER 62 HA SER 62 -6.286 -3.038 12.981 460 HB2 SER 62 HB3 SER 62 -4.088 -3.872 11.809 461 HB3 SER 62 HB2 SER 62 -5.275 -5.048 12.367 462 HG SER 62 HG SER 62 -4.935 -4.014 9.744 463 HA PRO 63 HA PRO 63 -5.742 0.787 10.327 464 HB2 PRO 63 HB3 PRO 63 -6.089 2.036 12.987 465 HB3 PRO 63 HB2 PRO 63 -6.884 2.419 11.452 466 HG2 PRO 63 HG3 PRO 63 -8.158 1.180 13.459 467 HG3 PRO 63 HG2 PRO 63 -8.524 0.864 11.755 468 HD2 PRO 63 HD3 PRO 63 -7.013 -0.825 13.702 469 HD3 PRO 63 HD2 PRO 63 -8.037 -1.315 12.334 470 H GLU 64 H GLU 64 -4.366 -0.262 13.392 471 HA GLU 64 HA GLU 64 -2.176 1.574 13.497 472 HB2 GLU 64 HB3 GLU 64 -2.435 -1.231 14.583 473 HB3 GLU 64 HB2 GLU 64 -1.139 -0.121 15.001 474 HG2 GLU 64 HG3 GLU 64 -2.825 1.491 15.830 475 HG3 GLU 64 HG2 GLU 64 -4.089 0.320 15.479 476 H HIS 65 H HIS 65 -2.737 -1.345 11.687 477 HA HIS 65 HA HIS 65 -0.009 -1.958 11.030 478 HB2 HIS 65 HB3 HIS 65 -1.878 -3.559 10.775 479 HB3 HIS 65 HB2 HIS 65 -2.546 -2.562 9.484 480 HD1 HIS 65 HD1 HIS 65 -2.096 -3.824 7.377 481 HD2 HIS 65 HD2 HIS 65 1.236 -3.776 9.887 482 HE1 HIS 65 HE1 HIS 65 -0.218 -4.942 6.097 483 HE2 HIS 65 HE2 HIS 65 1.815 -4.917 7.614 484 H PHE 66 H PHE 66 -2.283 0.370 9.729 485 HA PHE 66 HA PHE 66 -0.666 0.783 7.300 486 HB2 PHE 66 HB3 PHE 66 -3.152 2.147 8.360 487 HB3 PHE 66 HB2 PHE 66 -2.372 2.576 6.839 488 HD1 PHE 66 HD1 PHE 66 -4.418 0.103 8.593 489 HD2 PHE 66 HD2 PHE 66 -2.269 0.948 4.972 490 HE1 PHE 66 HE1 PHE 66 -5.601 -1.757 7.457 491 HE2 PHE 66 HE2 PHE 66 -3.451 -0.912 3.835 492 HZ PHE 66 HZ PHE 66 -5.117 -2.264 5.078 493 H ARG 67 H ARG 67 -0.088 1.616 10.374 494 HA ARG 67 HA ARG 67 0.272 4.434 10.365 495 HB2 ARG 67 HB3 ARG 67 1.856 2.291 11.809 496 HB3 ARG 67 HB2 ARG 67 1.946 4.013 12.164 497 HG2 ARG 67 HG3 ARG 67 -0.706 2.617 12.140 498 HG3 ARG 67 HG2 ARG 67 0.321 2.531 13.569 499 HD2 ARG 67 HD3 ARG 67 0.434 5.062 13.515 500 HD3 ARG 67 HD2 ARG 67 -0.798 5.024 12.256 501 HE ARG 67 HE ARG 67 -2.401 4.448 13.900 502 HH11 ARG 67 HH11 ARG 67 -3.019 4.117 16.048 503 HH12 ARG 67 HH12 ARG 67 -1.803 3.871 17.258 504 HH21 ARG 67 HH21 ARG 67 0.841 4.139 15.031 505 HH22 ARG 67 HH22 ARG 67 0.382 3.884 16.682 506 H SER 68 H SER 68 2.408 1.850 9.170 507 HA SER 68 HA SER 68 4.060 3.998 7.902 508 HB2 SER 68 HB3 SER 68 6.091 2.759 8.404 509 HB3 SER 68 HB2 SER 68 5.216 3.050 9.905 510 HG SER 68 HG SER 68 4.297 0.918 9.589 511 H ILE 69 H ILE 69 4.990 3.429 5.878 512 HA ILE 69 HA ILE 69 3.445 1.649 4.255 513 HB ILE 69 HB ILE 69 6.174 2.871 3.752 514 HG12 ILE 69 HG13 ILE 69 3.449 3.817 2.859 515 HG13 ILE 69 HG12 ILE 69 4.293 4.468 4.256 516 HG21 ILE 69 HG21 ILE 69 4.612 2.531 1.411 517 HG22 ILE 69 HG22 ILE 69 4.610 0.995 2.275 518 HG23 ILE 69 HG23 ILE 69 6.137 1.748 1.818 519 HD11 ILE 69 HD11 ILE 69 4.573 5.330 1.618 520 HD12 ILE 69 HD12 ILE 69 6.019 4.365 1.917 521 HD13 ILE 69 HD13 ILE 69 5.640 5.733 2.962 522 H ARG 70 H ARG 70 6.592 1.334 5.866 523 HA ARG 70 HA ARG 70 7.397 -1.108 4.646 524 HB2 ARG 70 HB3 ARG 70 7.974 -0.034 7.422 525 HB3 ARG 70 HB2 ARG 70 8.817 -1.394 6.682 526 HG2 ARG 70 HG3 ARG 70 9.481 0.098 4.792 527 HG3 ARG 70 HG2 ARG 70 8.736 1.452 5.641 528 HD2 ARG 70 HD3 ARG 70 11.025 -0.254 6.665 529 HD3 ARG 70 HD2 ARG 70 11.142 1.412 6.099 530 HE ARG 70 HE ARG 70 10.079 0.545 8.690 531 HH11 ARG 70 HH11 ARG 70 9.547 2.230 10.100 532 HH12 ARG 70 HH12 ARG 70 9.451 3.850 9.494 533 HH21 ARG 70 HH21 ARG 70 10.263 2.964 6.241 534 HH22 ARG 70 HH22 ARG 70 9.856 4.265 7.309 535 H SER 71 H SER 71 5.335 -0.493 7.479 536 HA SER 71 HA SER 71 5.138 -3.181 8.381 537 HB2 SER 71 HB3 SER 71 2.983 -1.051 8.460 538 HB3 SER 71 HB2 SER 71 3.095 -2.467 9.497 539 HG SER 71 HG SER 71 5.263 -0.697 9.328 540 H ILE 72 H ILE 72 3.278 -1.404 5.920 541 HA ILE 72 HA ILE 72 1.400 -3.493 5.386 542 HB ILE 72 HB ILE 72 2.434 -1.306 3.561 543 HG12 ILE 72 HG13 ILE 72 -0.018 -1.377 5.347 544 HG13 ILE 72 HG12 ILE 72 1.472 -0.517 5.736 545 HG21 ILE 72 HG21 ILE 72 0.604 -3.491 3.165 546 HG22 ILE 72 HG22 ILE 72 1.116 -2.257 2.015 547 HG23 ILE 72 HG23 ILE 72 -0.268 -1.963 3.066 548 HD11 ILE 72 HD11 ILE 72 0.197 1.171 4.745 549 HD12 ILE 72 HD12 ILE 72 -0.540 0.069 3.583 550 HD13 ILE 72 HD13 ILE 72 1.135 0.578 3.375 551 H ASP 73 H ASP 73 4.543 -2.668 3.934 552 HA ASP 73 HA ASP 73 4.507 -4.605 1.856 553 HB2 ASP 73 HB3 ASP 73 6.182 -2.739 2.136 554 HB3 ASP 73 HB2 ASP 73 6.947 -3.698 3.403 555 H ALA 74 H ALA 74 5.505 -4.881 5.257 556 HA ALA 74 HA ALA 74 6.611 -7.506 5.061 557 HB1 ALA 74 HB1 ALA 74 5.157 -6.665 7.536 558 HB2 ALA 74 HB2 ALA 74 6.574 -5.739 7.042 559 HB3 ALA 74 HB3 ALA 74 6.720 -7.464 7.375 560 H PHE 75 H PHE 75 3.301 -6.386 5.693 561 HA PHE 75 HA PHE 75 2.180 -8.956 6.235 562 HB2 PHE 75 HB3 PHE 75 1.032 -6.773 6.657 563 HB3 PHE 75 HB2 PHE 75 0.815 -6.604 4.917 564 HD1 PHE 75 HD1 PHE 75 -0.081 -8.636 7.881 565 HD2 PHE 75 HD2 PHE 75 -0.828 -7.889 3.717 566 HE1 PHE 75 HE1 PHE 75 -2.113 -10.054 7.992 567 HE2 PHE 75 HE2 PHE 75 -2.859 -9.307 3.828 568 HZ PHE 75 HZ PHE 75 -3.501 -10.390 5.964 569 H VAL 76 H VAL 76 2.437 -7.118 3.182 570 HA VAL 76 HA VAL 76 1.180 -9.098 1.554 571 HB VAL 76 HB VAL 76 3.187 -6.919 0.924 572 HG11 VAL 76 HG11 VAL 76 2.373 -7.298 -1.450 573 HG12 VAL 76 HG12 VAL 76 1.680 -8.817 -0.883 574 HG13 VAL 76 HG13 VAL 76 3.423 -8.557 -0.804 575 HG21 VAL 76 HG21 VAL 76 1.072 -6.026 1.641 576 HG22 VAL 76 HG22 VAL 76 0.180 -7.200 0.674 577 HG23 VAL 76 HG23 VAL 76 1.092 -5.916 -0.119 578 H VAL 77 H VAL 77 4.612 -8.503 2.346 579 HA VAL 77 HA VAL 77 5.711 -10.532 0.692 580 HB VAL 77 HB VAL 77 6.643 -9.359 3.323 581 HG11 VAL 77 HG11 VAL 77 8.006 -11.176 3.354 582 HG12 VAL 77 HG12 VAL 77 8.878 -10.316 2.085 583 HG13 VAL 77 HG13 VAL 77 7.698 -11.554 1.660 584 HG21 VAL 77 HG21 VAL 77 7.277 -7.630 2.027 585 HG22 VAL 77 HG22 VAL 77 6.616 -8.437 0.606 586 HG23 VAL 77 HG23 VAL 77 8.289 -8.723 1.084 587 H GLY 78 H GLY 78 4.478 -10.638 4.018 588 HA2 GLY 78 HA3 GLY 78 5.252 -13.293 4.639 589 HA3 GLY 78 HA2 GLY 78 3.879 -12.458 5.361 590 H ALA 79 H ALA 79 2.511 -12.089 2.752 591 HA ALA 79 HA ALA 79 1.511 -14.881 2.505 592 HB1 ALA 79 HB1 ALA 79 0.236 -12.227 1.806 593 HB2 ALA 79 HB2 ALA 79 -0.191 -13.284 3.153 594 HB3 ALA 79 HB3 ALA 79 -0.509 -13.796 1.496 595 H THR 80 H THR 80 2.211 -12.055 0.425 596 HA THR 80 HA THR 80 2.891 -13.998 -1.745 597 HB THR 80 HB THR 80 1.747 -12.691 -3.374 598 HG1 THR 80 HG1 THR 80 0.649 -10.707 -2.452 599 HG21 THR 80 HG21 THR 80 -0.477 -12.956 -2.710 600 HG22 THR 80 HG22 THR 80 -0.149 -12.431 -1.059 601 HG23 THR 80 HG23 THR 80 0.367 -14.031 -1.594 602 H THR 81 H THR 81 4.439 -13.141 -3.314 603 HA THR 81 HA THR 81 5.912 -10.725 -2.401 604 HB THR 81 HB THR 81 7.263 -12.410 -1.465 605 HG1 THR 81 HG1 THR 81 8.673 -12.649 -3.735 606 HG21 THR 81 HG21 THR 81 7.893 -14.444 -2.936 607 HG22 THR 81 HG22 THR 81 6.516 -13.972 -3.933 608 HG23 THR 81 HG23 THR 81 6.271 -14.404 -2.240 609 HA PRO 82 HA PRO 82 5.312 -10.667 -6.956 610 HB2 PRO 82 HB3 PRO 82 4.461 -8.102 -7.153 611 HB3 PRO 82 HB2 PRO 82 3.381 -9.429 -6.688 612 HG2 PRO 82 HG3 PRO 82 4.622 -7.327 -5.014 613 HG3 PRO 82 HG2 PRO 82 3.061 -8.142 -4.838 614 HD2 PRO 82 HD3 PRO 82 5.399 -8.741 -3.391 615 HD3 PRO 82 HD2 PRO 82 3.950 -9.762 -3.495 616 HA PRO 83 HA PRO 83 9.155 -8.808 -8.108 617 HB2 PRO 83 HB3 PRO 83 8.465 -7.655 -10.541 618 HB3 PRO 83 HB2 PRO 83 8.875 -9.363 -10.307 619 HG2 PRO 83 HG3 PRO 83 6.216 -8.071 -10.565 620 HG3 PRO 83 HG2 PRO 83 6.768 -9.653 -11.139 621 HD2 PRO 83 HD3 PRO 83 5.197 -9.369 -8.933 622 HD3 PRO 83 HD2 PRO 83 6.387 -10.680 -9.095 623 H VAL 84 H VAL 84 10.252 -6.772 -8.139 624 HA VAL 84 HA VAL 84 8.498 -4.375 -7.760 625 HB VAL 84 HB VAL 84 9.482 -5.176 -5.610 626 HG11 VAL 84 HG11 VAL 84 12.126 -4.485 -6.923 627 HG12 VAL 84 HG12 VAL 84 11.550 -6.131 -6.661 628 HG13 VAL 84 HG13 VAL 84 11.890 -5.084 -5.282 629 HG21 VAL 84 HG21 VAL 84 9.712 -2.553 -6.800 630 HG22 VAL 84 HG22 VAL 84 11.033 -2.812 -5.661 631 HG23 VAL 84 HG23 VAL 84 9.361 -2.978 -5.126 632 H GLU 85 H GLU 85 9.149 -2.544 -8.843 633 HA GLU 85 HA GLU 85 11.666 -2.745 -10.438 634 HB2 GLU 85 HB3 GLU 85 9.546 -2.770 -11.781 635 HB3 GLU 85 HB2 GLU 85 9.161 -1.179 -11.123 636 HG2 GLU 85 HG3 GLU 85 11.313 -0.316 -12.043 637 HG3 GLU 85 HG2 GLU 85 11.597 -1.892 -12.782 638 H ALA 86 H ALA 86 13.051 -0.948 -10.379 639 HA ALA 86 HA ALA 86 12.951 0.752 -8.098 640 HB1 ALA 86 HB1 ALA 86 14.869 1.807 -8.975 641 HB2 ALA 86 HB2 ALA 86 14.369 1.528 -10.643 642 HB3 ALA 86 HB3 ALA 86 14.951 0.183 -9.660 643 H LYS 87 H LYS 87 12.048 2.770 -7.782 644 HA LYS 87 HA LYS 87 9.892 3.631 -9.427 645 HB2 LYS 87 HB3 LYS 87 11.539 5.190 -7.414 646 HB3 LYS 87 HB2 LYS 87 10.014 5.745 -8.105 647 HG2 LYS 87 HG3 LYS 87 8.910 3.685 -7.220 648 HG3 LYS 87 HG2 LYS 87 10.428 3.249 -6.436 649 HD2 LYS 87 HD3 LYS 87 10.372 5.420 -5.204 650 HD3 LYS 87 HD2 LYS 87 8.793 5.749 -5.919 651 HE2 LYS 87 HE3 LYS 87 7.950 4.682 -4.105 652 HE3 LYS 87 HE2 LYS 87 8.462 3.202 -4.915 653 HZ1 LYS 87 HZ1 LYS 87 10.084 4.783 -2.993 654 HZ2 LYS 87 HZ2 LYS 87 10.597 3.372 -3.788 655 HZ3 LYS 87 HZ3 LYS 87 9.323 3.302 -2.668 656 H LEU 88 H LEU 88 13.314 4.508 -9.408 657 HA LEU 88 HA LEU 88 13.203 6.787 -11.087 658 HB2 LEU 88 HB3 LEU 88 15.255 5.964 -9.910 659 HB3 LEU 88 HB2 LEU 88 15.350 4.644 -11.074 660 HG LEU 88 HG LEU 88 15.410 6.369 -12.913 661 HD11 LEU 88 HD11 LEU 88 16.400 8.594 -11.558 662 HD12 LEU 88 HD12 LEU 88 15.004 8.107 -10.600 663 HD13 LEU 88 HD13 LEU 88 14.813 8.465 -12.315 664 HD21 LEU 88 HD21 LEU 88 17.758 6.809 -12.648 665 HD22 LEU 88 HD22 LEU 88 17.447 5.255 -11.874 666 HD23 LEU 88 HD23 LEU 88 17.640 6.707 -10.891 667 H GLN 89 H GLN 89 13.187 3.333 -11.886 668 HA GLN 89 HA GLN 89 12.930 4.041 -14.770 669 HB2 GLN 89 HB3 GLN 89 14.632 2.330 -14.102 670 HB3 GLN 89 HB2 GLN 89 13.321 1.315 -13.499 671 HG2 GLN 89 HG3 GLN 89 12.311 1.261 -15.740 672 HG3 GLN 89 HG2 GLN 89 13.595 2.303 -16.353 673 HE21 GLN 89 HE21 GLN 89 13.398 -0.125 -17.618 674 HE22 GLN 89 HE22 GLN 89 14.639 -1.173 -17.124 675 H3 7V9 101 1H1 NIA 101 -11.119 1.722 6.547 676 H4 7V9 101 2H1 NIA 101 -12.497 0.915 7.292 677 H5 7V9 101 1HE1 NIA 101 -11.250 1.847 10.288 678 H6 7V9 101 2HE1 NIA 101 -10.819 0.148 10.488 679 H7 7V9 101 3HE1 NIA 101 -12.374 0.587 9.781 680 H8 7V9 101 2HE2 NIA 101 -8.879 1.418 9.456 681 H9 7V9 101 3HE2 NIA 101 -9.545 2.665 8.401 682 H10 7V9 101 1HE2 NIA 101 -8.732 1.263 7.704 683 H11 7V9 101 3H NIA 101 -10.433 -0.622 6.932 684 H12 7V9 101 3HO NIA 101 -11.557 -2.193 7.945 685 H13 7V9 101 5H NIA 101 -7.500 -1.595 7.562 686 H14 7V9 101 1H6 NIA 101 -9.828 -3.423 7.955 687 H15 7V9 101 2H6 NIA 101 -9.098 -3.249 6.363 688 H16 7V9 101 1H7 NIA 101 -8.347 -5.114 8.257 689 H17 7V9 101 2H7 NIA 101 -7.145 -3.842 8.475 690 H18 7V9 101 9H NIA 101 -6.589 -2.910 5.978 691 H19 7V9 101 1H10 NIA 101 -7.329 -4.886 3.930 692 H20 7V9 101 2H10 NIA 101 -6.655 -3.284 3.629 693 H21 7V9 101 1H11 NIA 101 -5.269 -5.870 4.071 694 H22 7V9 101 2H11 NIA 101 -4.542 -4.469 4.858 695 H25 7V9 101 5H1 NIA 101 -1.020 -5.335 2.452 696 H26 7V9 101 7H1 NIA 101 -0.324 -3.443 -1.225 697 H27 7V9 101 8H1 NIA 101 -2.704 -3.726 -1.865 698 H28 7V9 101 9H1 NIA 101 -4.152 -5.196 -0.460 Start of MODEL 5 1 H1 MET 1 H1 MET 1 12.504 -0.860 -0.713 2 H2 MET 1 H2 MET 1 10.888 -0.903 -0.188 3 H3 MET 1 H3 MET 1 11.267 -1.250 -1.807 4 HA MET 1 HA MET 1 12.721 -2.954 -0.072 5 HB2 MET 1 HB3 MET 1 9.693 -2.997 0.145 6 HB3 MET 1 HB2 MET 1 10.785 -4.216 0.802 7 HG2 MET 1 HG3 MET 1 10.732 -1.284 1.583 8 HG3 MET 1 HG2 MET 1 10.114 -2.619 2.553 9 HE1 MET 1 HE1 MET 1 12.680 -4.935 1.997 10 HE2 MET 1 HE2 MET 1 11.291 -4.595 3.027 11 HE3 MET 1 HE3 MET 1 12.910 -4.625 3.724 12 H GLN 2 H GLN 2 10.819 -5.144 -0.700 13 HA GLN 2 HA GLN 2 11.798 -5.857 -3.274 14 HB2 GLN 2 HB3 GLN 2 9.365 -6.867 -1.768 15 HB3 GLN 2 HB2 GLN 2 10.046 -7.639 -3.201 16 HG2 GLN 2 HG3 GLN 2 12.183 -7.964 -2.035 17 HG3 GLN 2 HG2 GLN 2 11.540 -7.152 -0.607 18 HE21 GLN 2 HE21 GLN 2 12.448 -9.849 -0.438 19 HE22 GLN 2 HE22 GLN 2 11.110 -10.858 -0.174 20 H HIS 3 H HIS 3 8.808 -4.244 -2.276 21 HA HIS 3 HA HIS 3 8.433 -3.300 -5.037 22 HB2 HIS 3 HB3 HIS 3 7.092 -5.623 -4.200 23 HB3 HIS 3 HB2 HIS 3 5.894 -4.334 -4.083 24 HD1 HIS 3 HD1 HIS 3 8.704 -4.659 -6.633 25 HD2 HIS 3 HD2 HIS 3 4.534 -4.637 -6.494 26 HE1 HIS 3 HE1 HIS 3 7.904 -4.680 -9.038 27 HE2 HIS 3 HE2 HIS 3 5.370 -4.667 -8.964 28 H ALA 4 H ALA 4 8.915 -2.191 -2.298 29 HA ALA 4 HA ALA 4 6.539 -0.997 -1.267 30 HB1 ALA 4 HB1 ALA 4 8.304 0.820 -0.508 31 HB2 ALA 4 HB2 ALA 4 9.466 -0.370 -1.094 32 HB3 ALA 4 HB3 ALA 4 8.339 -0.798 0.193 33 H SER 5 H SER 5 8.700 -0.047 -3.898 34 HA SER 5 HA SER 5 7.735 2.615 -4.242 35 HB2 SER 5 HB3 SER 5 8.691 2.500 -6.464 36 HB3 SER 5 HB2 SER 5 9.758 1.623 -5.372 37 HG SER 5 HG SER 5 9.446 -0.013 -6.640 38 H VAL 6 H VAL 6 6.521 -0.499 -5.404 39 HA VAL 6 HA VAL 6 4.502 0.611 -7.137 40 HB VAL 6 HB VAL 6 4.670 -2.064 -5.736 41 HG11 VAL 6 HG11 VAL 6 2.355 -1.673 -6.246 42 HG12 VAL 6 HG12 VAL 6 2.980 -2.729 -7.512 43 HG13 VAL 6 HG13 VAL 6 2.756 -1.008 -7.829 44 HG21 VAL 6 HG21 VAL 6 4.988 -2.530 -8.397 45 HG22 VAL 6 HG22 VAL 6 6.335 -2.264 -7.292 46 HG23 VAL 6 HG23 VAL 6 5.720 -0.931 -8.267 47 H ILE 7 H ILE 7 4.571 -0.300 -3.722 48 HA ILE 7 HA ILE 7 1.791 -0.014 -3.196 49 HB ILE 7 HB ILE 7 4.142 0.575 -1.372 50 HG12 ILE 7 HG13 ILE 7 2.496 -1.955 -1.698 51 HG13 ILE 7 HG12 ILE 7 4.098 -1.718 -2.395 52 HG21 ILE 7 HG21 ILE 7 2.113 1.506 -0.440 53 HG22 ILE 7 HG22 ILE 7 2.452 0.001 0.414 54 HG23 ILE 7 HG23 ILE 7 1.205 0.046 -0.833 55 HD11 ILE 7 HD11 ILE 7 3.358 -2.389 0.346 56 HD12 ILE 7 HD12 ILE 7 4.420 -0.983 0.273 57 HD13 ILE 7 HD13 ILE 7 4.926 -2.509 -0.451 58 H ALA 8 H ALA 8 4.440 2.359 -2.856 59 HA ALA 8 HA ALA 8 2.740 4.563 -2.160 60 HB1 ALA 8 HB1 ALA 8 5.141 5.295 -3.667 61 HB2 ALA 8 HB2 ALA 8 5.476 4.156 -2.363 62 HB3 ALA 8 HB3 ALA 8 4.694 5.697 -2.010 63 H GLN 9 H GLN 9 4.147 3.540 -5.261 64 HA GLN 9 HA GLN 9 2.966 5.606 -6.846 65 HB2 GLN 9 HB3 GLN 9 4.813 4.113 -7.613 66 HB3 GLN 9 HB2 GLN 9 3.672 2.771 -7.667 67 HG2 GLN 9 HG3 GLN 9 2.386 4.764 -9.113 68 HG3 GLN 9 HG2 GLN 9 4.076 4.937 -9.586 69 HE21 GLN 9 HE21 GLN 9 1.664 2.299 -9.067 70 HE22 GLN 9 HE22 GLN 9 2.198 1.358 -10.376 71 H PHE 10 H PHE 10 1.886 2.329 -6.048 72 HA PHE 10 HA PHE 10 -0.535 2.403 -7.573 73 HB2 PHE 10 HB3 PHE 10 0.529 0.333 -6.650 74 HB3 PHE 10 HB2 PHE 10 0.038 0.845 -5.037 75 HD1 PHE 10 HD1 PHE 10 -1.190 -0.208 -8.373 76 HD2 PHE 10 HD2 PHE 10 -2.233 0.640 -4.294 77 HE1 PHE 10 HE1 PHE 10 -3.425 -1.219 -8.735 78 HE2 PHE 10 HE2 PHE 10 -4.469 -0.369 -4.656 79 HZ PHE 10 HZ PHE 10 -5.064 -1.301 -6.876 80 H VAL 11 H VAL 11 0.136 3.084 -4.151 81 HA VAL 11 HA VAL 11 -2.583 3.786 -3.500 82 HB VAL 11 HB VAL 11 0.034 4.508 -2.151 83 HG11 VAL 11 HG11 VAL 11 -2.854 4.827 -1.331 84 HG12 VAL 11 HG12 VAL 11 -1.591 6.056 -1.361 85 HG13 VAL 11 HG13 VAL 11 -1.548 4.776 -0.148 86 HG21 VAL 11 HG21 VAL 11 -0.238 2.570 -0.862 87 HG22 VAL 11 HG22 VAL 11 -0.787 2.032 -2.450 88 HG23 VAL 11 HG23 VAL 11 -1.965 2.465 -1.210 89 H VAL 12 H VAL 12 0.303 5.759 -4.215 90 HA VAL 12 HA VAL 12 -0.991 8.291 -3.960 91 HB VAL 12 HB VAL 12 1.442 7.435 -5.517 92 HG11 VAL 12 HG11 VAL 12 0.241 10.168 -5.042 93 HG12 VAL 12 HG12 VAL 12 0.692 9.437 -6.582 94 HG13 VAL 12 HG13 VAL 12 1.943 9.944 -5.447 95 HG21 VAL 12 HG21 VAL 12 0.925 7.845 -2.762 96 HG22 VAL 12 HG22 VAL 12 1.879 9.226 -3.303 97 HG23 VAL 12 HG23 VAL 12 2.492 7.588 -3.529 98 H GLU 13 H GLU 13 -0.673 6.091 -6.701 99 HA GLU 13 HA GLU 13 -1.414 7.790 -8.804 100 HB2 GLU 13 HB3 GLU 13 -0.765 5.390 -9.052 101 HB3 GLU 13 HB2 GLU 13 -2.350 4.941 -8.436 102 HG2 GLU 13 HG3 GLU 13 -3.386 6.250 -10.304 103 HG3 GLU 13 HG2 GLU 13 -1.765 6.504 -10.950 104 H GLU 14 H GLU 14 -3.471 6.247 -6.380 105 HA GLU 14 HA GLU 14 -5.969 6.949 -7.610 106 HB2 GLU 14 HB3 GLU 14 -5.277 6.385 -4.716 107 HB3 GLU 14 HB2 GLU 14 -6.921 6.524 -5.340 108 HG2 GLU 14 HG3 GLU 14 -6.452 4.673 -6.930 109 HG3 GLU 14 HG2 GLU 14 -4.840 4.506 -6.232 110 H PHE 15 H PHE 15 -3.852 8.673 -5.347 111 HA PHE 15 HA PHE 15 -5.848 10.844 -5.105 112 HB2 PHE 15 HB3 PHE 15 -3.074 10.642 -3.904 113 HB3 PHE 15 HB2 PHE 15 -4.328 11.800 -3.460 114 HD1 PHE 15 HD1 PHE 15 -6.365 11.060 -2.268 115 HD2 PHE 15 HD2 PHE 15 -3.188 8.339 -3.220 116 HE1 PHE 15 HE1 PHE 15 -7.310 9.402 -0.683 117 HE2 PHE 15 HE2 PHE 15 -4.127 6.680 -1.643 118 HZ PHE 15 HZ PHE 15 -6.190 7.210 -0.368 119 H LEU 16 H LEU 16 -2.333 10.813 -5.841 120 HA LEU 16 HA LEU 16 -2.877 12.984 -7.833 121 HB2 LEU 16 HB3 LEU 16 -1.001 12.850 -5.566 122 HB3 LEU 16 HB2 LEU 16 -0.271 13.386 -7.079 123 HG LEU 16 HG LEU 16 -2.821 14.552 -5.929 124 HD11 LEU 16 HD11 LEU 16 -0.981 15.083 -4.434 125 HD12 LEU 16 HD12 LEU 16 -1.357 16.518 -5.388 126 HD13 LEU 16 HD13 LEU 16 0.046 15.531 -5.795 127 HD21 LEU 16 HD21 LEU 16 -1.486 14.734 -8.475 128 HD22 LEU 16 HD22 LEU 16 -1.438 16.307 -7.680 129 HD23 LEU 16 HD23 LEU 16 -2.985 15.508 -7.963 130 HA PRO 17 HA PRO 17 -0.637 9.604 -10.005 131 HB2 PRO 17 HB3 PRO 17 -2.335 9.406 -12.120 132 HB3 PRO 17 HB2 PRO 17 -2.612 8.569 -10.584 133 HG2 PRO 17 HG3 PRO 17 -3.937 10.953 -11.690 134 HG3 PRO 17 HG2 PRO 17 -4.556 9.719 -10.585 135 HD2 PRO 17 HD3 PRO 17 -3.648 12.301 -9.872 136 HD3 PRO 17 HD2 PRO 17 -4.006 10.963 -8.761 137 H ASP 18 H ASP 18 -1.771 12.759 -10.990 138 HA ASP 18 HA ASP 18 -0.300 12.823 -13.500 139 HB2 ASP 18 HB3 ASP 18 -1.553 14.993 -11.810 140 HB3 ASP 18 HB2 ASP 18 -0.814 15.278 -13.381 141 H VAL 19 H VAL 19 0.649 12.835 -10.324 142 HA VAL 19 HA VAL 19 3.084 14.474 -10.903 143 HB VAL 19 HB VAL 19 1.930 13.695 -8.204 144 HG11 VAL 19 HG11 VAL 19 3.603 15.927 -7.989 145 HG12 VAL 19 HG12 VAL 19 4.453 14.845 -9.091 146 HG13 VAL 19 HG13 VAL 19 3.987 14.281 -7.486 147 HG21 VAL 19 HG21 VAL 19 1.965 16.532 -8.909 148 HG22 VAL 19 HG22 VAL 19 0.644 15.556 -8.265 149 HG23 VAL 19 HG23 VAL 19 0.950 15.589 -10.001 150 H ALA 20 H ALA 20 5.102 13.451 -10.616 151 HA ALA 20 HA ALA 20 5.184 10.626 -10.862 152 HB1 ALA 20 HB1 ALA 20 7.570 11.893 -9.669 153 HB2 ALA 20 HB2 ALA 20 7.012 12.628 -11.171 154 HB3 ALA 20 HB3 ALA 20 7.429 10.915 -11.128 155 HA PRO 21 HA PRO 21 4.328 9.907 -6.470 156 HB2 PRO 21 HB3 PRO 21 4.601 7.156 -6.538 157 HB3 PRO 21 HB2 PRO 21 3.113 8.038 -6.929 158 HG2 PRO 21 HG3 PRO 21 5.099 6.794 -8.726 159 HG3 PRO 21 HG2 PRO 21 3.352 7.000 -8.928 160 HD2 PRO 21 HD3 PRO 21 5.242 8.538 -10.201 161 HD3 PRO 21 HD2 PRO 21 3.579 9.080 -9.881 162 H ALA 22 H ALA 22 7.138 8.773 -8.211 163 HA ALA 22 HA ALA 22 8.641 7.895 -5.902 164 HB1 ALA 22 HB1 ALA 22 9.000 7.767 -8.641 165 HB2 ALA 22 HB2 ALA 22 10.212 7.330 -7.437 166 HB3 ALA 22 HB3 ALA 22 10.217 8.945 -8.147 167 H ASP 23 H ASP 23 7.748 10.964 -7.096 168 HA ASP 23 HA ASP 23 10.052 12.393 -5.967 169 HB2 ASP 23 HB3 ASP 23 7.423 13.357 -7.135 170 HB3 ASP 23 HB2 ASP 23 8.705 14.429 -6.571 171 H VAL 24 H VAL 24 7.553 10.815 -4.606 172 HA VAL 24 HA VAL 24 7.050 12.865 -2.506 173 HB VAL 24 HB VAL 24 5.710 10.175 -2.940 174 HG11 VAL 24 HG11 VAL 24 5.371 12.432 -0.994 175 HG12 VAL 24 HG12 VAL 24 5.284 10.693 -0.714 176 HG13 VAL 24 HG13 VAL 24 3.945 11.527 -1.504 177 HG21 VAL 24 HG21 VAL 24 5.125 11.531 -4.812 178 HG22 VAL 24 HG22 VAL 24 5.008 12.983 -3.819 179 HG23 VAL 24 HG23 VAL 24 3.788 11.717 -3.676 180 H ASP 25 H ASP 25 7.848 12.559 -0.441 181 HA ASP 25 HA ASP 25 9.970 10.655 -0.060 182 HB2 ASP 25 HB3 ASP 25 8.442 12.361 1.927 183 HB3 ASP 25 HB2 ASP 25 9.893 11.440 2.317 184 H VAL 26 H VAL 26 8.994 8.589 -0.484 185 HA VAL 26 HA VAL 26 6.667 7.619 0.881 186 HB VAL 26 HB VAL 26 7.384 5.408 0.148 187 HG11 VAL 26 HG11 VAL 26 7.561 5.829 -2.223 188 HG12 VAL 26 HG12 VAL 26 8.223 7.438 -1.939 189 HG13 VAL 26 HG13 VAL 26 6.542 7.093 -1.537 190 HG21 VAL 26 HG21 VAL 26 9.672 5.294 -1.029 191 HG22 VAL 26 HG22 VAL 26 9.690 5.350 0.733 192 HG23 VAL 26 HG23 VAL 26 10.044 6.805 -0.199 193 H ASP 27 H ASP 27 9.540 8.558 2.219 194 HA ASP 27 HA ASP 27 9.705 6.402 4.221 195 HB2 ASP 27 HB3 ASP 27 11.618 7.646 5.080 196 HB3 ASP 27 HB2 ASP 27 11.768 7.494 3.334 197 H LEU 28 H LEU 28 7.587 8.757 3.753 198 HA LEU 28 HA LEU 28 7.509 9.787 6.537 199 HB2 LEU 28 HB3 LEU 28 7.192 11.366 4.635 200 HB3 LEU 28 HB2 LEU 28 5.753 10.466 4.160 201 HG LEU 28 HG LEU 28 5.401 10.964 6.893 202 HD11 LEU 28 HD11 LEU 28 7.246 12.609 6.770 203 HD12 LEU 28 HD12 LEU 28 5.698 13.396 7.085 204 HD13 LEU 28 HD13 LEU 28 6.400 13.447 5.468 205 HD21 LEU 28 HD21 LEU 28 3.618 10.974 5.244 206 HD22 LEU 28 HD22 LEU 28 4.330 12.365 4.424 207 HD23 LEU 28 HD23 LEU 28 3.643 12.549 6.038 208 H ASP 29 H ASP 29 5.837 9.251 7.952 209 HA ASP 29 HA ASP 29 4.507 6.759 7.581 210 HB2 ASP 29 HB3 ASP 29 3.859 9.082 9.425 211 HB3 ASP 29 HB2 ASP 29 3.096 7.496 9.531 212 H LEU 30 H LEU 30 2.826 6.340 6.234 213 HA LEU 30 HA LEU 30 1.512 8.442 4.784 214 HB2 LEU 30 HB3 LEU 30 0.188 6.690 3.775 215 HB3 LEU 30 HB2 LEU 30 1.835 6.086 3.956 216 HG LEU 30 HG LEU 30 0.613 5.429 6.375 217 HD11 LEU 30 HD11 LEU 30 -1.491 4.455 5.896 218 HD12 LEU 30 HD12 LEU 30 -1.238 4.561 4.154 219 HD13 LEU 30 HD13 LEU 30 -1.552 6.021 5.089 220 HD21 LEU 30 HD21 LEU 30 0.911 3.706 3.896 221 HD22 LEU 30 HD22 LEU 30 0.850 3.137 5.564 222 HD23 LEU 30 HD23 LEU 30 2.221 4.096 5.009 223 H VAL 31 H VAL 31 1.169 7.771 7.951 224 HA VAL 31 HA VAL 31 -1.571 7.445 8.465 225 HB VAL 31 HB VAL 31 0.360 7.700 10.155 226 HG11 VAL 31 HG11 VAL 31 -0.420 10.618 10.001 227 HG12 VAL 31 HG12 VAL 31 0.993 9.974 9.165 228 HG13 VAL 31 HG13 VAL 31 0.897 9.894 10.924 229 HG21 VAL 31 HG21 VAL 31 -1.897 7.408 10.949 230 HG22 VAL 31 HG22 VAL 31 -2.317 9.069 10.532 231 HG23 VAL 31 HG23 VAL 31 -1.202 8.749 11.860 232 H ASP 32 H ASP 32 0.199 10.354 7.498 233 HA ASP 32 HA ASP 32 -1.937 12.223 7.761 234 HB2 ASP 32 HB3 ASP 32 0.338 12.108 5.751 235 HB3 ASP 32 HB2 ASP 32 -0.731 13.496 5.955 236 H ASN 33 H ASN 33 -1.095 9.878 5.288 237 HA ASN 33 HA ASN 33 -3.290 10.695 3.521 238 HB2 ASN 33 HB3 ASN 33 -1.457 8.292 3.398 239 HB3 ASN 33 HB2 ASN 33 -2.545 8.821 2.118 240 HD21 ASN 33 HD21 ASN 33 0.629 9.135 3.304 241 HD22 ASN 33 HD22 ASN 33 1.083 10.510 2.419 242 H GLY 34 H GLY 34 -3.501 9.507 6.389 243 HA2 GLY 34 HA3 GLY 34 -4.594 6.979 6.511 244 HA3 GLY 34 HA2 GLY 34 -5.243 8.324 7.452 245 H VAL 35 H VAL 35 -5.746 9.577 4.621 246 HA VAL 35 HA VAL 35 -8.521 9.155 4.490 247 HB VAL 35 HB VAL 35 -6.545 9.817 2.287 248 HG11 VAL 35 HG11 VAL 35 -9.574 9.809 2.276 249 HG12 VAL 35 HG12 VAL 35 -8.500 8.907 1.207 250 HG13 VAL 35 HG13 VAL 35 -8.600 10.663 1.080 251 HG21 VAL 35 HG21 VAL 35 -7.171 11.319 4.417 252 HG22 VAL 35 HG22 VAL 35 -8.553 11.727 3.400 253 HG23 VAL 35 HG23 VAL 35 -6.914 12.031 2.824 254 H ILE 36 H ILE 36 -5.891 7.302 3.024 255 HA ILE 36 HA ILE 36 -7.582 5.581 1.445 256 HB ILE 36 HB ILE 36 -4.977 6.002 1.356 257 HG12 ILE 36 HG13 ILE 36 -6.448 3.408 0.864 258 HG13 ILE 36 HG12 ILE 36 -5.963 4.632 -0.311 259 HG21 ILE 36 HG21 ILE 36 -3.651 4.511 2.614 260 HG22 ILE 36 HG22 ILE 36 -5.022 3.463 2.985 261 HG23 ILE 36 HG23 ILE 36 -4.873 5.034 3.773 262 HD11 ILE 36 HD11 ILE 36 -4.358 2.458 0.931 263 HD12 ILE 36 HD12 ILE 36 -3.535 3.994 0.669 264 HD13 ILE 36 HD13 ILE 36 -4.261 3.141 -0.691 265 H ASP 37 H ASP 37 -6.695 5.652 4.790 266 HA ASP 37 HA ASP 37 -6.878 2.946 5.510 267 HB2 ASP 37 HB3 ASP 37 -7.803 5.370 7.072 268 HB3 ASP 37 HB2 ASP 37 -7.573 3.761 7.751 269 H SER 38 H SER 38 -9.511 5.201 4.783 270 HA SER 38 HA SER 38 -11.420 2.968 5.363 271 HB2 SER 38 2HB SER 38 -11.398 5.585 6.342 272 HB3 SER 38 1HB SER 38 -12.667 5.571 5.121 273 H LEU 39 H LEU 39 -11.451 5.919 3.321 274 HA LEU 39 HA LEU 39 -13.274 4.787 1.446 275 HB2 LEU 39 HB3 LEU 39 -12.930 7.207 1.682 276 HB3 LEU 39 HB2 LEU 39 -11.305 7.029 1.028 277 HG LEU 39 HG LEU 39 -12.239 6.143 -1.065 278 HD11 LEU 39 HD11 LEU 39 -14.765 6.319 0.527 279 HD12 LEU 39 HD12 LEU 39 -14.243 5.073 -0.608 280 HD13 LEU 39 HD13 LEU 39 -14.852 6.615 -1.210 281 HD21 LEU 39 HD21 LEU 39 -13.869 8.584 -0.603 282 HD22 LEU 39 HD22 LEU 39 -12.734 8.223 -1.904 283 HD23 LEU 39 HD23 LEU 39 -12.135 8.714 -0.319 284 H GLY 40 H GLY 40 -9.762 5.294 1.180 285 HA2 GLY 40 HA3 GLY 40 -9.559 3.904 -1.332 286 HA3 GLY 40 HA2 GLY 40 -8.213 4.296 -0.272 287 H LEU 41 H LEU 41 -9.268 2.910 2.046 288 HA LEU 41 HA LEU 41 -8.148 0.342 1.627 289 HB2 LEU 41 HB3 LEU 41 -8.554 1.458 3.869 290 HB3 LEU 41 HB2 LEU 41 -10.250 1.005 3.699 291 HG LEU 41 HG LEU 41 -9.375 -1.389 3.289 292 HD11 LEU 41 HD11 LEU 41 -7.065 -0.992 4.976 293 HD12 LEU 41 HD12 LEU 41 -6.908 -0.039 3.502 294 HD13 LEU 41 HD13 LEU 41 -7.166 -1.779 3.403 295 HD21 LEU 41 HD21 LEU 41 -10.278 -1.555 5.348 296 HD22 LEU 41 HD22 LEU 41 -9.834 0.106 5.732 297 HD23 LEU 41 HD23 LEU 41 -8.684 -1.199 6.009 298 H LEU 42 H LEU 42 -11.543 1.411 1.528 299 HA LEU 42 HA LEU 42 -12.665 -1.188 1.116 300 HB2 LEU 42 HB3 LEU 42 -13.619 1.556 0.267 301 HB3 LEU 42 HB2 LEU 42 -14.579 0.099 0.082 302 HG LEU 42 HG LEU 42 -13.467 1.113 2.710 303 HD11 LEU 42 HD11 LEU 42 -15.892 1.750 1.195 304 HD12 LEU 42 HD12 LEU 42 -15.206 2.563 2.602 305 HD13 LEU 42 HD13 LEU 42 -16.240 1.150 2.817 306 HD21 LEU 42 HD21 LEU 42 -15.503 -0.614 3.270 307 HD22 LEU 42 HD22 LEU 42 -13.803 -1.083 3.213 308 HD23 LEU 42 HD23 LEU 42 -14.837 -1.342 1.810 309 H LYS 43 H LYS 43 -11.517 1.307 -1.159 310 HA LYS 43 HA LYS 43 -12.158 -0.156 -3.536 311 HB2 LYS 43 HB3 LYS 43 -9.998 1.893 -3.003 312 HB3 LYS 43 HB2 LYS 43 -10.447 1.316 -4.603 313 HG2 LYS 43 HG3 LYS 43 -12.786 2.086 -4.178 314 HG3 LYS 43 HG2 LYS 43 -12.245 2.768 -2.645 315 HD2 LYS 43 HD3 LYS 43 -10.592 4.164 -3.892 316 HD3 LYS 43 HD2 LYS 43 -11.259 3.546 -5.404 317 HE2 LYS 43 HE3 LYS 43 -12.760 5.226 -5.313 318 HE3 LYS 43 HE2 LYS 43 -13.493 4.388 -3.944 319 HZ1 LYS 43 HZ1 LYS 43 -13.013 6.384 -2.994 320 HZ2 LYS 43 HZ2 LYS 43 -11.645 6.660 -3.965 321 HZ3 LYS 43 HZ3 LYS 43 -11.561 5.572 -2.664 322 H VAL 44 H VAL 44 -9.383 -0.125 -1.379 323 HA VAL 44 HA VAL 44 -7.634 -1.760 -2.945 324 HB VAL 44 HB VAL 44 -7.847 -1.310 0.043 325 HG11 VAL 44 HG11 VAL 44 -6.742 -3.430 -0.273 326 HG12 VAL 44 HG12 VAL 44 -5.493 -2.230 0.058 327 HG13 VAL 44 HG13 VAL 44 -5.767 -2.785 -1.592 328 HG21 VAL 44 HG21 VAL 44 -6.459 0.473 -0.282 329 HG22 VAL 44 HG22 VAL 44 -7.077 0.415 -1.933 330 HG23 VAL 44 HG23 VAL 44 -5.538 -0.351 -1.540 331 H ILE 45 H ILE 45 -10.149 -2.542 -0.571 332 HA ILE 45 HA ILE 45 -9.622 -5.294 -0.256 333 HB ILE 45 HB ILE 45 -11.954 -3.494 0.062 334 HG12 ILE 45 HG13 ILE 45 -12.086 -4.805 2.224 335 HG13 ILE 45 HG12 ILE 45 -10.656 -5.691 1.698 336 HG21 ILE 45 HG21 ILE 45 -13.440 -5.515 0.524 337 HG22 ILE 45 HG22 ILE 45 -12.271 -6.466 -0.387 338 HG23 ILE 45 HG23 ILE 45 -13.138 -5.147 -1.172 339 HD11 ILE 45 HD11 ILE 45 -9.564 -3.384 1.364 340 HD12 ILE 45 HD12 ILE 45 -9.809 -3.915 3.028 341 HD13 ILE 45 HD13 ILE 45 -10.913 -2.746 2.302 342 H ALA 46 H ALA 46 -11.806 -3.732 -2.636 343 HA ALA 46 HA ALA 46 -12.414 -6.202 -3.983 344 HB1 ALA 46 HB1 ALA 46 -13.859 -4.879 -5.096 345 HB2 ALA 46 HB2 ALA 46 -12.539 -3.905 -5.746 346 HB3 ALA 46 HB3 ALA 46 -13.233 -3.514 -4.172 347 H TRP 47 H TRP 47 -9.962 -3.693 -4.504 348 HA TRP 47 HA TRP 47 -8.958 -4.754 -6.975 349 HB2 TRP 47 HB3 TRP 47 -8.399 -2.499 -6.413 350 HB3 TRP 47 HB2 TRP 47 -7.728 -2.985 -4.858 351 HD1 TRP 47 HD1 TRP 47 -7.053 -3.482 -8.624 352 HE1 TRP 47 HE1 TRP 47 -4.518 -3.818 -8.947 353 HE3 TRP 47 HE3 TRP 47 -5.530 -3.487 -3.751 354 HZ2 TRP 47 HZ2 TRP 47 -2.156 -4.054 -7.354 355 HZ3 TRP 47 HZ3 TRP 47 -3.134 -3.766 -3.182 356 HH2 TRP 47 HH2 TRP 47 -1.447 -4.051 -4.976 357 H LEU 48 H LEU 48 -7.888 -5.214 -3.594 358 HA LEU 48 HA LEU 48 -5.613 -6.785 -4.234 359 HB2 LEU 48 HB3 LEU 48 -6.439 -5.749 -1.957 360 HB3 LEU 48 HB2 LEU 48 -7.238 -7.306 -1.755 361 HG LEU 48 HG LEU 48 -5.045 -7.378 -0.693 362 HD11 LEU 48 HD11 LEU 48 -5.972 -9.338 -2.133 363 HD12 LEU 48 HD12 LEU 48 -4.287 -9.394 -1.621 364 HD13 LEU 48 HD13 LEU 48 -4.692 -8.900 -3.262 365 HD21 LEU 48 HD21 LEU 48 -3.474 -7.184 -3.161 366 HD22 LEU 48 HD22 LEU 48 -3.193 -6.434 -1.590 367 HD23 LEU 48 HD23 LEU 48 -4.290 -5.678 -2.744 368 H GLU 49 H GLU 49 -8.925 -7.838 -3.378 369 HA GLU 49 HA GLU 49 -8.335 -10.631 -3.792 370 HB2 GLU 49 HB3 GLU 49 -10.231 -9.979 -2.420 371 HB3 GLU 49 HB2 GLU 49 -10.963 -9.120 -3.763 372 HG2 GLU 49 HG3 GLU 49 -11.162 -11.252 -4.999 373 HG3 GLU 49 HG2 GLU 49 -10.462 -12.100 -3.628 374 H ASP 50 H ASP 50 -9.652 -8.074 -5.850 375 HA ASP 50 HA ASP 50 -10.325 -9.735 -8.071 376 HB2 ASP 50 HB3 ASP 50 -11.093 -7.400 -7.787 377 HB3 ASP 50 HB2 ASP 50 -9.443 -6.849 -8.075 378 H ARG 51 H ARG 51 -7.331 -7.972 -7.302 379 HA ARG 51 HA ARG 51 -6.041 -8.681 -9.780 380 HB2 ARG 51 HB3 ARG 51 -5.438 -6.732 -8.290 381 HB3 ARG 51 HB2 ARG 51 -4.672 -7.894 -7.204 382 HG2 ARG 51 HG3 ARG 51 -3.224 -8.665 -9.051 383 HG3 ARG 51 HG2 ARG 51 -3.979 -7.491 -10.130 384 HD2 ARG 51 HD3 ARG 51 -3.253 -5.678 -8.533 385 HD3 ARG 51 HD2 ARG 51 -2.336 -6.901 -7.654 386 HE ARG 51 HE ARG 51 -1.525 -5.661 -10.124 387 HH11 ARG 51 HH11 ARG 51 0.312 -6.489 -11.143 388 HH12 ARG 51 HH12 ARG 51 0.887 -8.065 -10.715 389 HH21 ARG 51 HH21 ARG 51 -1.604 -8.630 -8.372 390 HH22 ARG 51 HH22 ARG 51 -0.197 -9.277 -9.148 391 H PHE 52 H PHE 52 -5.645 -10.028 -6.456 392 HA PHE 52 HA PHE 52 -4.057 -12.223 -7.687 393 HB2 PHE 52 HB3 PHE 52 -4.345 -11.277 -4.832 394 HB3 PHE 52 HB2 PHE 52 -3.449 -12.718 -5.296 395 HD1 PHE 52 HD1 PHE 52 -3.432 -9.092 -5.145 396 HD2 PHE 52 HD2 PHE 52 -1.482 -12.513 -6.858 397 HE1 PHE 52 HE1 PHE 52 -1.464 -7.691 -5.699 398 HE2 PHE 52 HE2 PHE 52 0.487 -11.110 -7.416 399 HZ PHE 52 HZ PHE 52 0.496 -8.699 -6.836 400 H GLY 53 H GLY 53 -7.240 -11.689 -6.660 401 HA2 GLY 53 HA3 GLY 53 -9.002 -13.260 -6.452 402 HA3 GLY 53 HA2 GLY 53 -7.850 -14.516 -6.900 403 H ILE 54 H ILE 54 -7.289 -12.326 -4.211 404 HA ILE 54 HA ILE 54 -7.441 -14.678 -2.377 405 HB ILE 54 HB ILE 54 -6.067 -12.005 -1.970 406 HG12 ILE 54 HG13 ILE 54 -4.782 -14.675 -2.591 407 HG13 ILE 54 HG12 ILE 54 -5.172 -13.498 -3.847 408 HG21 ILE 54 HG21 ILE 54 -6.625 -13.085 0.133 409 HG22 ILE 54 HG22 ILE 54 -4.897 -13.289 -0.154 410 HG23 ILE 54 HG23 ILE 54 -6.004 -14.630 -0.451 411 HD11 ILE 54 HD11 ILE 54 -3.374 -13.021 -1.453 412 HD12 ILE 54 HD12 ILE 54 -3.813 -11.801 -2.649 413 HD13 ILE 54 HD13 ILE 54 -2.850 -13.200 -3.127 414 H ALA 55 H ALA 55 -8.756 -14.555 -0.519 415 HA ALA 55 HA ALA 55 -11.023 -12.826 -0.613 416 HB1 ALA 55 HB1 ALA 55 -9.945 -14.852 1.215 417 HB2 ALA 55 HB2 ALA 55 -11.621 -14.503 0.793 418 HB3 ALA 55 HB3 ALA 55 -10.814 -13.565 2.050 419 H ALA 56 H ALA 56 -11.124 -10.707 -0.135 420 HA ALA 56 HA ALA 56 -8.885 -9.256 0.921 421 HB1 ALA 56 HB1 ALA 56 -11.333 -8.638 -0.329 422 HB2 ALA 56 HB2 ALA 56 -10.043 -7.515 0.105 423 HB3 ALA 56 HB3 ALA 56 -11.367 -7.816 1.231 424 H ASP 57 H ASP 57 -11.805 -10.586 2.381 425 HA ASP 57 HA ASP 57 -11.189 -9.292 4.964 426 HB2 ASP 57 HB3 ASP 57 -13.442 -11.100 4.085 427 HB3 ASP 57 HB2 ASP 57 -13.290 -10.436 5.710 428 H ASP 58 H ASP 58 -9.843 -11.816 3.479 429 HA ASP 58 HA ASP 58 -10.108 -14.049 5.173 430 HB2 ASP 58 HB3 ASP 58 -8.775 -13.931 3.026 431 HB3 ASP 58 HB2 ASP 58 -7.507 -13.127 3.949 432 H VAL 59 H VAL 59 -8.068 -11.174 5.542 433 HA VAL 59 HA VAL 59 -7.788 -11.862 8.423 434 HB VAL 59 HB VAL 59 -5.714 -12.588 7.243 435 HG11 VAL 59 HG11 VAL 59 -4.436 -11.152 5.942 436 HG12 VAL 59 HG12 VAL 59 -5.062 -9.707 6.737 437 HG13 VAL 59 HG13 VAL 59 -6.057 -10.569 5.563 438 HG21 VAL 59 HG21 VAL 59 -5.884 -11.391 9.608 439 HG22 VAL 59 HG22 VAL 59 -4.964 -10.129 8.787 440 HG23 VAL 59 HG23 VAL 59 -4.312 -11.764 8.902 441 H GLU 60 H GLU 60 -7.769 -10.032 9.776 442 HA GLU 60 HA GLU 60 -8.434 -7.478 8.397 443 HB2 GLU 60 HB3 GLU 60 -10.032 -8.355 10.099 444 HB3 GLU 60 HB2 GLU 60 -8.768 -8.217 11.317 445 HG2 GLU 60 HG3 GLU 60 -8.588 -5.800 10.823 446 HG3 GLU 60 HG2 GLU 60 -9.909 -5.955 9.673 447 H LEU 61 H LEU 61 -7.152 -5.671 8.650 448 HA LEU 61 HA LEU 61 -4.608 -6.068 10.144 449 HB2 LEU 61 HB3 LEU 61 -5.251 -3.960 8.065 450 HB3 LEU 61 HB2 LEU 61 -3.662 -4.379 8.700 451 HG LEU 61 HG LEU 61 -5.455 -6.105 6.993 452 HD11 LEU 61 HD11 LEU 61 -3.679 -4.212 6.213 453 HD12 LEU 61 HD12 LEU 61 -4.010 -5.670 5.278 454 HD13 LEU 61 HD13 LEU 61 -2.607 -5.607 6.343 455 HD21 LEU 61 HD21 LEU 61 -3.373 -7.663 7.170 456 HD22 LEU 61 HD22 LEU 61 -4.533 -7.657 8.499 457 HD23 LEU 61 HD23 LEU 61 -3.023 -6.758 8.642 458 H SER 62 H SER 62 -3.966 -4.561 11.705 459 HA SER 62 HA SER 62 -6.118 -2.914 12.836 460 HB2 SER 62 HB3 SER 62 -3.759 -2.375 14.240 461 HB3 SER 62 HB2 SER 62 -5.005 -3.532 14.699 462 HG SER 62 HG SER 62 -3.404 -4.894 14.462 463 HA PRO 63 HA PRO 63 -5.073 0.993 11.118 464 HB2 PRO 63 HB3 PRO 63 -4.893 2.557 13.434 465 HB3 PRO 63 HB2 PRO 63 -6.381 2.195 12.544 466 HG2 PRO 63 HG3 PRO 63 -5.311 0.974 15.021 467 HG3 PRO 63 HG2 PRO 63 -6.989 1.249 14.523 468 HD2 PRO 63 HD3 PRO 63 -5.842 -1.214 14.447 469 HD3 PRO 63 HD2 PRO 63 -7.087 -0.708 13.282 470 H GLU 64 H GLU 64 -3.105 -0.073 13.845 471 HA GLU 64 HA GLU 64 -0.939 1.771 13.472 472 HB2 GLU 64 HB3 GLU 64 -0.975 -1.003 14.670 473 HB3 GLU 64 HB2 GLU 64 0.375 0.116 14.792 474 HG2 GLU 64 HG3 GLU 64 -1.118 1.755 15.893 475 HG3 GLU 64 HG2 GLU 64 -2.424 0.578 15.830 476 H HIS 65 H HIS 65 -1.884 -1.152 11.845 477 HA HIS 65 HA HIS 65 0.664 -1.825 10.697 478 HB2 HIS 65 HB3 HIS 65 -1.267 -3.383 10.767 479 HB3 HIS 65 HB2 HIS 65 -2.118 -2.356 9.613 480 HD1 HIS 65 HD1 HIS 65 1.254 -4.154 9.822 481 HD2 HIS 65 HD2 HIS 65 -1.642 -3.114 7.004 482 HE1 HIS 65 HE1 HIS 65 2.006 -5.151 7.615 483 HE2 HIS 65 HE2 HIS 65 0.254 -4.520 5.896 484 H PHE 66 H PHE 66 -1.774 0.545 9.866 485 HA PHE 66 HA PHE 66 -0.499 1.033 7.233 486 HB2 PHE 66 HB3 PHE 66 -2.902 2.352 8.536 487 HB3 PHE 66 HB2 PHE 66 -2.371 2.588 6.871 488 HD1 PHE 66 HD1 PHE 66 -2.561 0.775 5.211 489 HD2 PHE 66 HD2 PHE 66 -3.985 0.295 9.234 490 HE1 PHE 66 HE1 PHE 66 -3.832 -1.240 4.521 491 HE2 PHE 66 HE2 PHE 66 -5.256 -1.719 8.546 492 HZ PHE 66 HZ PHE 66 -5.180 -2.487 6.190 493 H ARG 67 H ARG 67 0.260 1.828 10.275 494 HA ARG 67 HA ARG 67 0.455 4.642 10.379 495 HB2 ARG 67 HB3 ARG 67 0.968 3.082 12.270 496 HB3 ARG 67 HB2 ARG 67 2.471 2.648 11.462 497 HG2 ARG 67 HG3 ARG 67 3.167 4.317 12.949 498 HG3 ARG 67 HG2 ARG 67 2.913 5.225 11.462 499 HD2 ARG 67 HD3 ARG 67 0.657 5.873 12.235 500 HD3 ARG 67 HD2 ARG 67 0.906 4.957 13.720 501 HE ARG 67 HE ARG 67 2.940 7.007 13.200 502 HH11 ARG 67 HH11 ARG 67 3.003 8.672 14.728 503 HH12 ARG 67 HH12 ARG 67 1.700 8.847 15.854 504 HH21 ARG 67 HH21 ARG 67 -0.084 6.144 14.614 505 HH22 ARG 67 HH22 ARG 67 -0.049 7.415 15.789 506 H SER 68 H SER 68 2.644 2.272 8.870 507 HA SER 68 HA SER 68 3.907 4.557 7.420 508 HB2 SER 68 HB3 SER 68 6.111 3.577 7.709 509 HB3 SER 68 HB2 SER 68 5.380 3.797 9.296 510 HG SER 68 HG SER 68 5.013 1.387 7.898 511 H ILE 69 H ILE 69 4.748 3.984 5.321 512 HA ILE 69 HA ILE 69 3.185 2.073 3.892 513 HB ILE 69 HB ILE 69 5.815 3.373 3.128 514 HG12 ILE 69 HG13 ILE 69 2.978 4.195 2.489 515 HG13 ILE 69 HG12 ILE 69 3.959 4.939 3.742 516 HG21 ILE 69 HG21 ILE 69 5.648 2.201 1.227 517 HG22 ILE 69 HG22 ILE 69 4.054 2.900 0.950 518 HG23 ILE 69 HG23 ILE 69 4.212 1.394 1.850 519 HD11 ILE 69 HD11 ILE 69 5.116 6.167 2.242 520 HD12 ILE 69 HD12 ILE 69 3.892 5.694 1.064 521 HD13 ILE 69 HD13 ILE 69 5.384 4.765 1.206 522 H ARG 70 H ARG 70 6.429 1.924 5.308 523 HA ARG 70 HA ARG 70 7.267 -0.516 4.107 524 HB2 ARG 70 HB3 ARG 70 7.926 0.635 6.834 525 HB3 ARG 70 HB2 ARG 70 8.788 -0.706 6.078 526 HG2 ARG 70 HG3 ARG 70 9.308 0.778 4.136 527 HG3 ARG 70 HG2 ARG 70 8.552 2.118 5.000 528 HD2 ARG 70 HD3 ARG 70 10.948 0.516 5.938 529 HD3 ARG 70 HD2 ARG 70 10.973 2.178 5.350 530 HE ARG 70 HE ARG 70 9.205 2.331 7.432 531 HH11 ARG 70 HH11 ARG 70 9.798 2.655 9.589 532 HH12 ARG 70 HH12 ARG 70 11.367 2.153 10.125 533 HH21 ARG 70 HH21 ARG 70 12.334 0.943 7.023 534 HH22 ARG 70 HH22 ARG 70 12.802 1.184 8.673 535 H SER 71 H SER 71 5.295 0.097 7.002 536 HA SER 71 HA SER 71 5.238 -2.576 7.981 537 HB2 SER 71 HB3 SER 71 4.338 -0.546 9.177 538 HB3 SER 71 HB2 SER 71 2.960 -0.577 8.080 539 HG SER 71 HG SER 71 2.393 -2.571 8.882 540 H ILE 72 H ILE 72 3.146 -0.923 5.615 541 HA ILE 72 HA ILE 72 1.396 -3.131 5.154 542 HB ILE 72 HB ILE 72 2.203 -0.874 3.295 543 HG12 ILE 72 HG13 ILE 72 -0.164 -1.129 5.179 544 HG13 ILE 72 HG12 ILE 72 1.272 -0.158 5.505 545 HG21 ILE 72 HG21 ILE 72 1.125 -2.703 2.099 546 HG22 ILE 72 HG22 ILE 72 -0.003 -1.355 2.247 547 HG23 ILE 72 HG23 ILE 72 -0.165 -2.760 3.298 548 HD11 ILE 72 HD11 ILE 72 0.814 1.043 3.308 549 HD12 ILE 72 HD12 ILE 72 -0.360 1.341 4.591 550 HD13 ILE 72 HD13 ILE 72 -0.748 0.223 3.283 551 H ASP 73 H ASP 73 4.469 -2.147 3.682 552 HA ASP 73 HA ASP 73 4.526 -3.966 1.521 553 HB2 ASP 73 HB3 ASP 73 6.207 -2.144 1.975 554 HB3 ASP 73 HB2 ASP 73 6.902 -3.173 3.229 555 H ALA 74 H ALA 74 5.348 -4.458 4.942 556 HA ALA 74 HA ALA 74 6.429 -7.090 4.639 557 HB1 ALA 74 HB1 ALA 74 5.953 -7.340 7.053 558 HB2 ALA 74 HB2 ALA 74 4.958 -5.884 7.004 559 HB3 ALA 74 HB3 ALA 74 6.695 -5.777 6.711 560 H PHE 75 H PHE 75 3.118 -5.952 5.292 561 HA PHE 75 HA PHE 75 1.951 -8.563 5.485 562 HB2 PHE 75 HB3 PHE 75 0.760 -6.558 6.244 563 HB3 PHE 75 HB2 PHE 75 0.699 -5.961 4.587 564 HD1 PHE 75 HD1 PHE 75 -0.934 -6.740 3.044 565 HD2 PHE 75 HD2 PHE 75 -0.426 -8.717 6.823 566 HE1 PHE 75 HE1 PHE 75 -2.994 -8.056 2.631 567 HE2 PHE 75 HE2 PHE 75 -2.488 -10.033 6.410 568 HZ PHE 75 HZ PHE 75 -3.772 -9.702 4.312 569 H VAL 76 H VAL 76 2.274 -6.318 2.732 570 HA VAL 76 HA VAL 76 0.997 -8.013 0.826 571 HB VAL 76 HB VAL 76 3.071 -5.827 0.528 572 HG11 VAL 76 HG11 VAL 76 2.228 -5.842 -1.882 573 HG12 VAL 76 HG12 VAL 76 1.545 -7.428 -1.526 574 HG13 VAL 76 HG13 VAL 76 3.286 -7.175 -1.423 575 HG21 VAL 76 HG21 VAL 76 0.065 -5.952 0.139 576 HG22 VAL 76 HG22 VAL 76 1.065 -4.569 -0.306 577 HG23 VAL 76 HG23 VAL 76 0.929 -5.051 1.386 578 H VAL 77 H VAL 77 4.412 -7.671 1.798 579 HA VAL 77 HA VAL 77 5.493 -9.450 -0.143 580 HB VAL 77 HB VAL 77 6.409 -8.687 2.637 581 HG11 VAL 77 HG11 VAL 77 7.606 -10.483 0.552 582 HG12 VAL 77 HG12 VAL 77 7.537 -10.700 2.300 583 HG13 VAL 77 HG13 VAL 77 8.659 -9.533 1.600 584 HG21 VAL 77 HG21 VAL 77 6.257 -7.071 0.536 585 HG22 VAL 77 HG22 VAL 77 7.736 -7.908 0.062 586 HG23 VAL 77 HG23 VAL 77 7.669 -7.034 1.593 587 H GLY 78 H GLY 78 4.297 -10.029 3.164 588 HA2 GLY 78 HA3 GLY 78 4.969 -12.794 3.283 589 HA3 GLY 78 HA2 GLY 78 3.697 -12.028 4.232 590 H ALA 79 H ALA 79 2.088 -11.152 2.002 591 HA ALA 79 HA ALA 79 0.835 -13.743 1.375 592 HB1 ALA 79 HB1 ALA 79 -1.103 -12.532 0.859 593 HB2 ALA 79 HB2 ALA 79 -0.196 -11.081 0.433 594 HB3 ALA 79 HB3 ALA 79 -0.366 -11.551 2.124 595 H THR 80 H THR 80 1.997 -10.906 -0.446 596 HA THR 80 HA THR 80 2.405 -12.722 -2.785 597 HB THR 80 HB THR 80 1.526 -9.836 -2.945 598 HG1 THR 80 HG1 THR 80 -0.464 -10.886 -3.663 599 HG21 THR 80 HG21 THR 80 2.804 -11.324 -4.821 600 HG22 THR 80 HG22 THR 80 1.639 -10.060 -5.211 601 HG23 THR 80 HG23 THR 80 1.127 -11.747 -5.167 602 H THR 81 H THR 81 4.382 -12.480 -3.808 603 HA THR 81 HA THR 81 6.146 -10.286 -2.805 604 HB THR 81 HB THR 81 7.037 -12.237 -1.835 605 HG1 THR 81 HG1 THR 81 8.489 -11.008 -3.273 606 HG21 THR 81 HG21 THR 81 5.790 -13.987 -2.779 607 HG22 THR 81 HG22 THR 81 7.417 -14.292 -3.386 608 HG23 THR 81 HG23 THR 81 6.215 -13.528 -4.427 609 HA PRO 82 HA PRO 82 5.772 -9.848 -7.391 610 HB2 PRO 82 HB3 PRO 82 6.412 -7.043 -6.833 611 HB3 PRO 82 HB2 PRO 82 4.989 -7.725 -7.635 612 HG2 PRO 82 HG3 PRO 82 4.928 -6.595 -5.172 613 HG3 PRO 82 HG2 PRO 82 3.801 -7.850 -5.710 614 HD2 PRO 82 HD3 PRO 82 6.144 -8.086 -3.872 615 HD3 PRO 82 HD2 PRO 82 4.613 -8.992 -3.880 616 HA PRO 83 HA PRO 83 10.076 -9.901 -8.369 617 HB2 PRO 83 HB3 PRO 83 10.111 -8.385 -10.702 618 HB3 PRO 83 HB2 PRO 83 9.689 -10.104 -10.610 619 HG2 PRO 83 HG3 PRO 83 7.923 -7.729 -10.794 620 HG3 PRO 83 HG2 PRO 83 7.720 -9.349 -11.481 621 HD2 PRO 83 HD3 PRO 83 6.349 -8.517 -9.281 622 HD3 PRO 83 HD2 PRO 83 6.817 -10.214 -9.530 623 H VAL 84 H VAL 84 11.985 -8.625 -8.199 624 HA VAL 84 HA VAL 84 11.500 -5.807 -7.334 625 HB VAL 84 HB VAL 84 13.884 -7.594 -6.763 626 HG11 VAL 84 HG11 VAL 84 13.144 -4.779 -6.134 627 HG12 VAL 84 HG12 VAL 84 14.737 -5.499 -6.367 628 HG13 VAL 84 HG13 VAL 84 13.889 -5.710 -4.835 629 HG21 VAL 84 HG21 VAL 84 12.834 -7.548 -4.414 630 HG22 VAL 84 HG22 VAL 84 12.044 -8.570 -5.615 631 HG23 VAL 84 HG23 VAL 84 11.360 -6.995 -5.210 632 H GLU 85 H GLU 85 12.485 -4.158 -8.451 633 HA GLU 85 HA GLU 85 14.754 -4.739 -10.237 634 HB2 GLU 85 HB3 GLU 85 12.681 -5.199 -11.584 635 HB3 GLU 85 HB2 GLU 85 12.198 -3.523 -11.325 636 HG2 GLU 85 HG3 GLU 85 14.327 -2.777 -12.382 637 HG3 GLU 85 HG2 GLU 85 14.727 -4.463 -12.710 638 H ALA 86 H ALA 86 12.774 -2.583 -8.415 639 HA ALA 86 HA ALA 86 14.828 -0.461 -8.785 640 HB1 ALA 86 HB1 ALA 86 11.846 -0.178 -9.159 641 HB2 ALA 86 HB2 ALA 86 13.143 0.358 -10.228 642 HB3 ALA 86 HB3 ALA 86 12.847 1.204 -8.709 643 H LYS 87 H LYS 87 14.841 1.088 -6.985 644 HA LYS 87 HA LYS 87 14.799 1.596 -4.699 645 HB2 LYS 87 HB3 LYS 87 12.303 1.645 -5.220 646 HB3 LYS 87 HB2 LYS 87 12.230 -0.002 -4.597 647 HG2 LYS 87 HG3 LYS 87 13.191 0.782 -2.448 648 HG3 LYS 87 HG2 LYS 87 13.201 2.431 -3.071 649 HD2 LYS 87 HD3 LYS 87 10.731 2.274 -3.411 650 HD3 LYS 87 HD2 LYS 87 10.762 0.679 -2.659 651 HE2 LYS 87 HE3 LYS 87 11.256 3.368 -1.413 652 HE3 LYS 87 HE2 LYS 87 10.238 2.047 -0.839 653 HZ1 LYS 87 HZ1 LYS 87 12.528 0.814 -0.748 654 HZ2 LYS 87 HZ2 LYS 87 12.026 1.815 0.530 655 HZ3 LYS 87 HZ3 LYS 87 13.139 2.391 -0.618 656 H LEU 88 H LEU 88 16.510 -0.384 -5.206 657 HA LEU 88 HA LEU 88 15.840 -2.663 -3.416 658 HB2 LEU 88 HB3 LEU 88 16.798 -3.126 -5.686 659 HB3 LEU 88 HB2 LEU 88 18.259 -2.268 -5.202 660 HG LEU 88 HG LEU 88 18.460 -3.867 -3.257 661 HD11 LEU 88 HD11 LEU 88 17.047 -6.073 -4.222 662 HD12 LEU 88 HD12 LEU 88 15.905 -4.738 -4.368 663 HD13 LEU 88 HD13 LEU 88 16.631 -5.109 -2.806 664 HD21 LEU 88 HD21 LEU 88 18.410 -5.289 -5.929 665 HD22 LEU 88 HD22 LEU 88 19.499 -5.574 -4.571 666 HD23 LEU 88 HD23 LEU 88 19.638 -4.092 -5.517 667 H GLN 89 H GLN 89 16.723 -2.785 -1.397 668 HA GLN 89 HA GLN 89 18.135 -0.598 -0.242 669 HB2 GLN 89 HB3 GLN 89 16.841 -2.317 1.043 670 HB3 GLN 89 HB2 GLN 89 18.130 -3.476 0.714 671 HG2 GLN 89 HG3 GLN 89 19.752 -2.019 1.854 672 HG3 GLN 89 HG2 GLN 89 18.482 -0.835 2.163 673 HE21 GLN 89 HE21 GLN 89 19.712 -1.796 4.419 674 HE22 GLN 89 HE22 GLN 89 18.719 -2.908 5.230 675 H3 7V9 101 1H1 NIA 101 -10.764 4.794 9.884 676 H4 7V9 101 2H1 NIA 101 -9.214 4.672 9.053 677 H5 7V9 101 1HE1 NIA 101 -11.816 2.624 10.836 678 H6 7V9 101 2HE1 NIA 101 -10.719 3.586 11.825 679 H7 7V9 101 3HE1 NIA 101 -10.542 1.833 11.762 680 H8 7V9 101 2HE2 NIA 101 -8.151 3.831 10.882 681 H9 7V9 101 3HE2 NIA 101 -7.740 2.590 9.698 682 H10 7V9 101 1HE2 NIA 101 -8.303 2.126 11.303 683 H11 7V9 101 3H NIA 101 -9.385 1.774 8.208 684 H12 7V9 101 3HO NIA 101 -11.861 0.952 9.062 685 H13 7V9 101 5H NIA 101 -7.885 0.301 10.454 686 H14 7V9 101 1H6 NIA 101 -7.657 -0.745 7.993 687 H15 7V9 101 2H6 NIA 101 -7.381 -1.783 9.391 688 H16 7V9 101 1H7 NIA 101 -9.982 -1.408 7.880 689 H17 7V9 101 2H7 NIA 101 -9.856 -2.282 9.407 690 H18 7V9 101 9H NIA 101 -7.056 -2.615 7.298 691 H19 7V9 101 1H10 NIA 101 -8.744 -3.298 5.101 692 H20 7V9 101 2H10 NIA 101 -6.981 -3.331 5.067 693 H21 7V9 101 1H11 NIA 101 -8.852 -5.544 5.288 694 H22 7V9 101 2H11 NIA 101 -7.709 -5.542 6.632 695 H25 7V9 101 5H1 NIA 101 -4.856 -3.933 4.050 696 H26 7V9 101 7H1 NIA 101 -2.793 -3.778 0.403 697 H27 7V9 101 8H1 NIA 101 -4.810 -4.696 -0.748 698 H28 7V9 101 9H1 NIA 101 -6.535 -5.851 0.607 Start of MODEL 6 1 H1 MET 1 H1 MET 1 11.319 -2.560 -1.903 2 H2 MET 1 H2 MET 1 12.657 -2.012 -1.010 3 H3 MET 1 H3 MET 1 11.191 -2.357 -0.224 4 HA MET 1 HA MET 1 13.346 -4.094 -0.824 5 HB2 MET 1 HB3 MET 1 10.688 -4.540 0.573 6 HB3 MET 1 HB2 MET 1 12.124 -5.554 0.728 7 HG2 MET 1 HG3 MET 1 11.911 -2.637 1.532 8 HG3 MET 1 HG2 MET 1 11.967 -4.013 2.633 9 HE1 MET 1 HE1 MET 1 13.590 -5.727 2.602 10 HE2 MET 1 HE2 MET 1 15.328 -5.491 2.442 11 HE3 MET 1 HE3 MET 1 14.369 -5.902 1.024 12 H GLN 2 H GLN 2 11.044 -6.279 -0.604 13 HA GLN 2 HA GLN 2 11.302 -7.266 -3.254 14 HB2 GLN 2 HB3 GLN 2 9.148 -7.805 -1.188 15 HB3 GLN 2 HB2 GLN 2 9.381 -8.750 -2.659 16 HG2 GLN 2 HG3 GLN 2 11.658 -9.334 -1.946 17 HG3 GLN 2 HG2 GLN 2 11.461 -8.361 -0.487 18 HE21 GLN 2 HE21 GLN 2 12.009 -11.137 -0.260 19 HE22 GLN 2 HE22 GLN 2 10.634 -11.922 0.351 20 H HIS 3 H HIS 3 8.891 -5.139 -1.790 21 HA HIS 3 HA HIS 3 8.071 -4.226 -4.445 22 HB2 HIS 3 HB3 HIS 3 5.832 -4.967 -4.428 23 HB3 HIS 3 HB2 HIS 3 6.731 -6.381 -3.880 24 HD1 HIS 3 HD1 HIS 3 4.031 -4.132 -2.894 25 HD2 HIS 3 HD2 HIS 3 6.741 -6.602 -0.906 26 HE1 HIS 3 HE1 HIS 3 3.120 -4.457 -0.551 27 HE2 HIS 3 HE2 HIS 3 4.763 -5.958 0.668 28 H ALA 4 H ALA 4 9.107 -3.279 -1.733 29 HA ALA 4 HA ALA 4 7.086 -1.751 -0.426 30 HB1 ALA 4 HB1 ALA 4 10.029 -1.069 -0.700 31 HB2 ALA 4 HB2 ALA 4 9.367 -2.178 0.501 32 HB3 ALA 4 HB3 ALA 4 8.927 -0.471 0.540 33 H SER 5 H SER 5 9.183 -1.000 -3.196 34 HA SER 5 HA SER 5 8.434 1.755 -3.426 35 HB2 SER 5 HB3 SER 5 9.350 1.636 -5.665 36 HB3 SER 5 HB2 SER 5 10.368 0.661 -4.610 37 HG SER 5 HG SER 5 9.711 -1.097 -5.596 38 H VAL 6 H VAL 6 6.954 -1.231 -4.579 39 HA VAL 6 HA VAL 6 5.033 0.004 -6.324 40 HB VAL 6 HB VAL 6 4.984 -2.630 -4.843 41 HG11 VAL 6 HG11 VAL 6 3.022 -1.309 -6.675 42 HG12 VAL 6 HG12 VAL 6 2.725 -2.361 -5.292 43 HG13 VAL 6 HG13 VAL 6 3.261 -3.050 -6.824 44 HG21 VAL 6 HG21 VAL 6 6.404 -1.705 -7.119 45 HG22 VAL 6 HG22 VAL 6 5.136 -2.777 -7.714 46 HG23 VAL 6 HG23 VAL 6 6.296 -3.362 -6.521 47 H ILE 7 H ILE 7 5.013 -0.807 -2.879 48 HA ILE 7 HA ILE 7 2.270 -0.252 -2.374 49 HB ILE 7 HB ILE 7 4.658 0.159 -0.551 50 HG12 ILE 7 HG13 ILE 7 2.780 -2.210 -0.814 51 HG13 ILE 7 HG12 ILE 7 4.385 -2.141 -1.541 52 HG21 ILE 7 HG21 ILE 7 1.677 -0.015 -0.057 53 HG22 ILE 7 HG22 ILE 7 2.774 1.287 0.403 54 HG23 ILE 7 HG23 ILE 7 2.867 -0.274 1.218 55 HD11 ILE 7 HD11 ILE 7 5.208 -2.922 0.403 56 HD12 ILE 7 HD12 ILE 7 3.646 -2.737 1.200 57 HD13 ILE 7 HD13 ILE 7 4.768 -1.378 1.133 58 H ALA 8 H ALA 8 5.116 1.897 -2.100 59 HA ALA 8 HA ALA 8 3.611 4.250 -1.446 60 HB1 ALA 8 HB1 ALA 8 5.936 4.965 -2.948 61 HB2 ALA 8 HB2 ALA 8 6.347 3.582 -1.935 62 HB3 ALA 8 HB3 ALA 8 5.702 5.050 -1.202 63 H GLN 9 H GLN 9 4.789 2.945 -4.522 64 HA GLN 9 HA GLN 9 3.778 5.070 -6.167 65 HB2 GLN 9 HB3 GLN 9 5.491 3.429 -6.911 66 HB3 GLN 9 HB2 GLN 9 4.270 2.158 -6.867 67 HG2 GLN 9 HG3 GLN 9 3.116 4.216 -8.385 68 HG3 GLN 9 HG2 GLN 9 4.789 4.121 -8.935 69 HE21 GLN 9 HE21 GLN 9 2.051 1.901 -8.144 70 HE22 GLN 9 HE22 GLN 9 2.401 0.797 -9.385 71 H PHE 10 H PHE 10 2.436 1.972 -5.129 72 HA PHE 10 HA PHE 10 0.050 2.074 -6.698 73 HB2 PHE 10 HB3 PHE 10 0.976 0.031 -5.610 74 HB3 PHE 10 HB2 PHE 10 0.498 0.686 -4.046 75 HD1 PHE 10 HD1 PHE 10 -1.796 0.683 -3.330 76 HD2 PHE 10 HD2 PHE 10 -0.745 -0.565 -7.303 77 HE1 PHE 10 HE1 PHE 10 -4.079 -0.235 -3.645 78 HE2 PHE 10 HE2 PHE 10 -3.028 -1.481 -7.620 79 HZ PHE 10 HZ PHE 10 -4.694 -1.318 -5.789 80 H VAL 11 H VAL 11 0.587 2.929 -3.269 81 HA VAL 11 HA VAL 11 -2.129 3.799 -2.880 82 HB VAL 11 HB VAL 11 -0.824 3.141 -0.964 83 HG11 VAL 11 HG11 VAL 11 1.321 3.768 -0.617 84 HG12 VAL 11 HG12 VAL 11 0.946 5.470 -0.878 85 HG13 VAL 11 HG13 VAL 11 1.273 4.418 -2.253 86 HG21 VAL 11 HG21 VAL 11 -1.146 6.148 -0.819 87 HG22 VAL 11 HG22 VAL 11 -1.286 4.987 0.501 88 HG23 VAL 11 HG23 VAL 11 -2.509 5.031 -0.768 89 H VAL 12 H VAL 12 0.875 5.635 -3.529 90 HA VAL 12 HA VAL 12 -0.386 8.207 -3.400 91 HB VAL 12 HB VAL 12 1.637 9.045 -4.439 92 HG11 VAL 12 HG11 VAL 12 3.353 7.686 -3.010 93 HG12 VAL 12 HG12 VAL 12 1.925 6.847 -2.411 94 HG13 VAL 12 HG13 VAL 12 2.080 8.588 -2.188 95 HG21 VAL 12 HG21 VAL 12 2.246 7.733 -6.215 96 HG22 VAL 12 HG22 VAL 12 1.780 6.238 -5.404 97 HG23 VAL 12 HG23 VAL 12 3.313 7.015 -5.007 98 H GLU 13 H GLU 13 0.053 5.901 -6.041 99 HA GLU 13 HA GLU 13 -0.478 7.542 -8.249 100 HB2 GLU 13 HB3 GLU 13 0.085 5.121 -8.388 101 HB3 GLU 13 HB2 GLU 13 -1.540 4.744 -7.835 102 HG2 GLU 13 HG3 GLU 13 -2.441 6.011 -9.800 103 HG3 GLU 13 HG2 GLU 13 -0.784 6.193 -10.371 104 H GLU 14 H GLU 14 -2.749 6.174 -5.918 105 HA GLU 14 HA GLU 14 -5.133 6.921 -7.329 106 HB2 GLU 14 HB3 GLU 14 -4.643 6.472 -4.373 107 HB3 GLU 14 HB2 GLU 14 -6.238 6.648 -5.105 108 HG2 GLU 14 HG3 GLU 14 -5.755 4.703 -6.575 109 HG3 GLU 14 HG2 GLU 14 -4.198 4.504 -5.769 110 H PHE 15 H PHE 15 -3.052 8.677 -5.066 111 HA PHE 15 HA PHE 15 -4.969 10.939 -5.057 112 HB2 PHE 15 HB3 PHE 15 -2.324 10.666 -3.606 113 HB3 PHE 15 HB2 PHE 15 -3.558 11.894 -3.322 114 HD1 PHE 15 HD1 PHE 15 -5.724 11.293 -2.287 115 HD2 PHE 15 HD2 PHE 15 -2.604 8.402 -2.848 116 HE1 PHE 15 HE1 PHE 15 -6.879 9.745 -0.730 117 HE2 PHE 15 HE2 PHE 15 -3.754 6.852 -1.300 118 HZ PHE 15 HZ PHE 15 -5.894 7.522 -0.235 119 H LEU 16 H LEU 16 -1.404 10.709 -5.484 120 HA LEU 16 HA LEU 16 -1.673 12.835 -7.580 121 HB2 LEU 16 HB3 LEU 16 0.002 12.681 -5.168 122 HB3 LEU 16 HB2 LEU 16 0.883 13.123 -6.629 123 HG LEU 16 HG LEU 16 -0.710 14.930 -7.077 124 HD11 LEU 16 HD11 LEU 16 -2.166 13.575 -4.868 125 HD12 LEU 16 HD12 LEU 16 -2.799 14.419 -6.281 126 HD13 LEU 16 HD13 LEU 16 -2.236 15.337 -4.885 127 HD21 LEU 16 HD21 LEU 16 -0.119 15.333 -4.179 128 HD22 LEU 16 HD22 LEU 16 0.214 16.391 -5.551 129 HD23 LEU 16 HD23 LEU 16 1.249 14.998 -5.241 130 HA PRO 17 HA PRO 17 0.570 9.312 -9.513 131 HB2 PRO 17 HB3 PRO 17 -0.992 9.081 -11.712 132 HB3 PRO 17 HB2 PRO 17 -1.433 8.348 -10.159 133 HG2 PRO 17 HG3 PRO 17 -2.500 10.771 -11.470 134 HG3 PRO 17 HG2 PRO 17 -3.307 9.602 -10.414 135 HD2 PRO 17 HD3 PRO 17 -2.332 12.130 -9.640 136 HD3 PRO 17 HD2 PRO 17 -2.827 10.820 -8.547 137 H ASP 18 H ASP 18 -0.337 12.494 -10.572 138 HA ASP 18 HA ASP 18 1.200 12.466 -13.041 139 HB2 ASP 18 HB3 ASP 18 0.042 14.709 -11.381 140 HB3 ASP 18 HB2 ASP 18 0.838 14.949 -12.931 141 H VAL 19 H VAL 19 2.081 12.408 -9.848 142 HA VAL 19 HA VAL 19 4.586 13.968 -10.331 143 HB VAL 19 HB VAL 19 3.408 13.020 -7.698 144 HG11 VAL 19 HG11 VAL 19 5.664 13.337 -7.249 145 HG12 VAL 19 HG12 VAL 19 5.057 14.975 -6.996 146 HG13 VAL 19 HG13 VAL 19 5.851 14.553 -8.514 147 HG21 VAL 19 HG21 VAL 19 2.794 15.395 -7.376 148 HG22 VAL 19 HG22 VAL 19 1.980 14.717 -8.787 149 HG23 VAL 19 HG23 VAL 19 3.383 15.765 -8.998 150 H ALA 20 H ALA 20 6.591 12.885 -10.031 151 HA ALA 20 HA ALA 20 6.625 10.103 -10.569 152 HB1 ALA 20 HB1 ALA 20 8.996 10.213 -10.265 153 HB2 ALA 20 HB2 ALA 20 8.856 11.610 -9.200 154 HB3 ALA 20 HB3 ALA 20 8.517 11.777 -10.922 155 HA PRO 21 HA PRO 21 5.522 8.943 -6.332 156 HB2 PRO 21 HB3 PRO 21 5.695 6.206 -6.695 157 HB3 PRO 21 HB2 PRO 21 4.268 7.189 -7.063 158 HG2 PRO 21 HG3 PRO 21 6.298 6.064 -8.884 159 HG3 PRO 21 HG2 PRO 21 4.575 6.373 -9.147 160 HD2 PRO 21 HD3 PRO 21 6.598 7.953 -10.137 161 HD3 PRO 21 HD2 PRO 21 4.939 8.525 -9.857 162 H ALA 22 H ALA 22 8.360 7.793 -8.047 163 HA ALA 22 HA ALA 22 9.693 6.713 -5.708 164 HB1 ALA 22 HB1 ALA 22 10.620 5.853 -7.655 165 HB2 ALA 22 HB2 ALA 22 11.757 7.158 -7.321 166 HB3 ALA 22 HB3 ALA 22 10.483 7.383 -8.519 167 H ASP 23 H ASP 23 9.079 9.870 -6.849 168 HA ASP 23 HA ASP 23 11.420 11.053 -5.491 169 HB2 ASP 23 HB3 ASP 23 9.111 12.280 -7.026 170 HB3 ASP 23 HB2 ASP 23 10.405 13.219 -6.281 171 H VAL 24 H VAL 24 8.723 9.733 -4.366 172 HA VAL 24 HA VAL 24 8.018 11.932 -2.492 173 HB VAL 24 HB VAL 24 6.754 9.192 -2.836 174 HG11 VAL 24 HG11 VAL 24 5.860 11.693 -1.367 175 HG12 VAL 24 HG12 VAL 24 6.366 10.175 -0.624 176 HG13 VAL 24 HG13 VAL 24 4.882 10.240 -1.575 177 HG21 VAL 24 HG21 VAL 24 5.643 11.847 -3.762 178 HG22 VAL 24 HG22 VAL 24 5.109 10.226 -4.207 179 HG23 VAL 24 HG23 VAL 24 6.645 10.846 -4.813 180 H ASP 25 H ASP 25 8.573 11.812 -0.329 181 HA ASP 25 HA ASP 25 10.680 10.031 0.452 182 HB2 ASP 25 HB3 ASP 25 8.834 11.775 2.108 183 HB3 ASP 25 HB2 ASP 25 10.246 10.937 2.753 184 H VAL 26 H VAL 26 9.786 7.913 -0.027 185 HA VAL 26 HA VAL 26 7.375 6.896 1.102 186 HB VAL 26 HB VAL 26 8.309 4.681 0.662 187 HG11 VAL 26 HG11 VAL 26 8.203 4.964 -1.589 188 HG12 VAL 26 HG12 VAL 26 9.560 6.090 -1.598 189 HG13 VAL 26 HG13 VAL 26 7.940 6.667 -1.211 190 HG21 VAL 26 HG21 VAL 26 10.867 5.215 -0.370 191 HG22 VAL 26 HG22 VAL 26 10.497 4.365 1.130 192 HG23 VAL 26 HG23 VAL 26 10.797 6.103 1.152 193 H ASP 27 H ASP 27 9.968 8.108 2.729 194 HA ASP 27 HA ASP 27 9.916 6.137 4.940 195 HB2 ASP 27 HB3 ASP 27 11.498 8.695 4.528 196 HB3 ASP 27 HB2 ASP 27 11.643 7.655 5.945 197 H LEU 28 H LEU 28 7.885 8.429 3.972 198 HA LEU 28 HA LEU 28 7.490 9.766 6.588 199 HB2 LEU 28 HB3 LEU 28 7.331 11.055 4.444 200 HB3 LEU 28 HB2 LEU 28 5.932 10.080 4.006 201 HG LEU 28 HG LEU 28 5.064 10.844 6.394 202 HD11 LEU 28 HD11 LEU 28 6.611 13.307 5.663 203 HD12 LEU 28 HD12 LEU 28 7.391 12.054 6.630 204 HD13 LEU 28 HD13 LEU 28 5.926 12.840 7.220 205 HD21 LEU 28 HD21 LEU 28 3.793 11.395 4.477 206 HD22 LEU 28 HD22 LEU 28 5.079 12.402 3.809 207 HD23 LEU 28 HD23 LEU 28 4.160 12.958 5.208 208 H ASP 29 H ASP 29 5.824 9.219 7.964 209 HA ASP 29 HA ASP 29 4.476 6.715 7.616 210 HB2 ASP 29 HB3 ASP 29 3.851 9.062 9.440 211 HB3 ASP 29 HB2 ASP 29 3.074 7.483 9.554 212 H LEU 30 H LEU 30 2.794 6.322 6.266 213 HA LEU 30 HA LEU 30 1.525 8.434 4.788 214 HB2 LEU 30 HB3 LEU 30 0.009 6.618 3.973 215 HB3 LEU 30 HB2 LEU 30 1.720 6.213 3.817 216 HG LEU 30 HG LEU 30 0.626 5.449 6.418 217 HD11 LEU 30 HD11 LEU 30 -0.643 4.436 3.874 218 HD12 LEU 30 HD12 LEU 30 -1.432 4.965 5.361 219 HD13 LEU 30 HD13 LEU 30 -0.567 3.429 5.320 220 HD21 LEU 30 HD21 LEU 30 1.724 3.310 5.785 221 HD22 LEU 30 HD22 LEU 30 2.796 4.690 5.548 222 HD23 LEU 30 HD23 LEU 30 1.995 3.947 4.165 223 H VAL 31 H VAL 31 1.169 7.807 7.961 224 HA VAL 31 HA VAL 31 -1.594 7.553 8.451 225 HB VAL 31 HB VAL 31 0.347 7.712 10.151 226 HG11 VAL 31 HG11 VAL 31 -0.366 10.649 10.069 227 HG12 VAL 31 HG12 VAL 31 1.029 9.997 9.211 228 HG13 VAL 31 HG13 VAL 31 0.937 9.872 10.967 229 HG21 VAL 31 HG21 VAL 31 -1.261 8.956 11.807 230 HG22 VAL 31 HG22 VAL 31 -1.779 7.428 11.096 231 HG23 VAL 31 HG23 VAL 31 -2.380 8.952 10.443 232 H ASP 32 H ASP 32 0.294 10.410 7.554 233 HA ASP 32 HA ASP 32 -1.774 12.350 7.825 234 HB2 ASP 32 HB3 ASP 32 0.669 12.815 7.289 235 HB3 ASP 32 HB2 ASP 32 0.328 12.298 5.637 236 H ASN 33 H ASN 33 -1.006 10.001 5.334 237 HA ASN 33 HA ASN 33 -3.177 10.918 3.578 238 HB2 ASN 33 HB3 ASN 33 -1.394 8.482 3.388 239 HB3 ASN 33 HB2 ASN 33 -2.475 9.069 2.126 240 HD21 ASN 33 HD21 ASN 33 0.660 8.937 2.562 241 HD22 ASN 33 HD22 ASN 33 1.164 10.466 2.027 242 H GLY 34 H GLY 34 -3.491 9.735 6.402 243 HA2 GLY 34 HA3 GLY 34 -4.589 7.209 6.509 244 HA3 GLY 34 HA2 GLY 34 -5.278 8.564 7.405 245 H VAL 35 H VAL 35 -5.649 9.778 4.529 246 HA VAL 35 HA VAL 35 -8.422 9.357 4.279 247 HB VAL 35 HB VAL 35 -6.339 9.997 2.169 248 HG11 VAL 35 HG11 VAL 35 -8.221 9.062 0.996 249 HG12 VAL 35 HG12 VAL 35 -8.339 10.815 0.849 250 HG13 VAL 35 HG13 VAL 35 -9.362 9.956 1.999 251 HG21 VAL 35 HG21 VAL 35 -7.079 11.527 4.237 252 HG22 VAL 35 HG22 VAL 35 -8.415 11.906 3.151 253 HG23 VAL 35 HG23 VAL 35 -6.755 12.217 2.646 254 H ILE 36 H ILE 36 -5.718 7.498 2.991 255 HA ILE 36 HA ILE 36 -7.295 5.738 1.342 256 HB ILE 36 HB ILE 36 -4.758 6.138 1.250 257 HG12 ILE 36 HG13 ILE 36 -6.195 3.523 1.074 258 HG13 ILE 36 HG12 ILE 36 -5.395 4.447 -0.196 259 HG21 ILE 36 HG21 ILE 36 -3.367 4.930 2.747 260 HG22 ILE 36 HG22 ILE 36 -4.714 3.957 3.340 261 HG23 ILE 36 HG23 ILE 36 -4.596 5.661 3.780 262 HD11 ILE 36 HD11 ILE 36 -3.198 3.867 1.054 263 HD12 ILE 36 HD12 ILE 36 -3.975 2.587 0.124 264 HD13 ILE 36 HD13 ILE 36 -4.159 2.638 1.877 265 H ASP 37 H ASP 37 -6.670 5.892 4.741 266 HA ASP 37 HA ASP 37 -6.822 3.227 5.551 267 HB2 ASP 37 HB3 ASP 37 -8.070 5.654 6.864 268 HB3 ASP 37 HB2 ASP 37 -7.874 4.088 7.646 269 H SER 38 H SER 38 -9.508 5.313 4.517 270 HA SER 38 HA SER 38 -11.293 2.926 4.802 271 HB2 SER 38 2HB SER 38 -11.889 5.866 5.103 272 HB3 SER 38 1HB SER 38 -13.153 4.654 4.919 273 H LEU 39 H LEU 39 -11.257 5.979 2.913 274 HA LEU 39 HA LEU 39 -12.869 4.932 0.820 275 HB2 LEU 39 HB3 LEU 39 -12.409 7.362 1.222 276 HB3 LEU 39 HB2 LEU 39 -10.792 7.108 0.578 277 HG LEU 39 HG LEU 39 -12.976 6.089 -1.129 278 HD11 LEU 39 HD11 LEU 39 -13.226 8.537 -2.006 279 HD12 LEU 39 HD12 LEU 39 -12.691 8.993 -0.389 280 HD13 LEU 39 HD13 LEU 39 -14.163 8.044 -0.595 281 HD21 LEU 39 HD21 LEU 39 -11.557 7.194 -2.861 282 HD22 LEU 39 HD22 LEU 39 -10.636 6.075 -1.857 283 HD23 LEU 39 HD23 LEU 39 -10.516 7.811 -1.578 284 H GLY 40 H GLY 40 -9.333 5.362 0.922 285 HA2 GLY 40 HA3 GLY 40 -8.926 3.968 -1.573 286 HA3 GLY 40 HA2 GLY 40 -7.670 4.381 -0.412 287 H LEU 41 H LEU 41 -8.720 3.041 1.848 288 HA LEU 41 HA LEU 41 -7.691 0.424 1.474 289 HB2 LEU 41 HB3 LEU 41 -7.938 1.544 3.693 290 HB3 LEU 41 HB2 LEU 41 -9.682 1.317 3.580 291 HG LEU 41 HG LEU 41 -8.071 -1.122 3.115 292 HD11 LEU 41 HD11 LEU 41 -7.993 0.429 5.692 293 HD12 LEU 41 HD12 LEU 41 -6.692 -0.444 4.881 294 HD13 LEU 41 HD13 LEU 41 -7.959 -1.334 5.726 295 HD21 LEU 41 HD21 LEU 41 -10.488 -0.414 4.814 296 HD22 LEU 41 HD22 LEU 41 -9.840 -2.043 4.636 297 HD23 LEU 41 HD23 LEU 41 -10.510 -1.205 3.240 298 H LEU 42 H LEU 42 -11.043 1.612 1.427 299 HA LEU 42 HA LEU 42 -12.309 -0.925 1.173 300 HB2 LEU 42 HB3 LEU 42 -13.494 1.261 1.564 301 HB3 LEU 42 HB2 LEU 42 -13.191 1.672 -0.117 302 HG LEU 42 HG LEU 42 -14.321 -0.622 -0.637 303 HD11 LEU 42 HD11 LEU 42 -14.371 -0.755 2.112 304 HD12 LEU 42 HD12 LEU 42 -15.405 -1.697 1.038 305 HD13 LEU 42 HD13 LEU 42 -15.996 -0.189 1.736 306 HD21 LEU 42 HD21 LEU 42 -16.614 0.545 -0.368 307 HD22 LEU 42 HD22 LEU 42 -15.406 1.355 -1.366 308 HD23 LEU 42 HD23 LEU 42 -15.697 1.902 0.286 309 H LYS 43 H LYS 43 -11.035 1.295 -1.307 310 HA LYS 43 HA LYS 43 -11.758 -0.340 -3.548 311 HB2 LYS 43 HB3 LYS 43 -9.547 1.695 -3.210 312 HB3 LYS 43 HB2 LYS 43 -10.033 1.000 -4.751 313 HG2 LYS 43 HG3 LYS 43 -12.346 1.858 -4.362 314 HG3 LYS 43 HG2 LYS 43 -11.769 2.648 -2.894 315 HD2 LYS 43 HD3 LYS 43 -10.099 3.895 -4.271 316 HD3 LYS 43 HD2 LYS 43 -10.806 3.178 -5.720 317 HE2 LYS 43 HE3 LYS 43 -12.297 4.893 -3.712 318 HE3 LYS 43 HE2 LYS 43 -11.729 5.434 -5.291 319 HZ1 LYS 43 HZ1 LYS 43 -14.129 4.647 -5.100 320 HZ2 LYS 43 HZ2 LYS 43 -13.487 3.077 -5.014 321 HZ3 LYS 43 HZ3 LYS 43 -13.209 4.039 -6.387 322 H VAL 44 H VAL 44 -8.977 -0.248 -1.391 323 HA VAL 44 HA VAL 44 -7.254 -1.958 -2.888 324 HB VAL 44 HB VAL 44 -7.483 -1.501 0.097 325 HG11 VAL 44 HG11 VAL 44 -5.420 -2.973 -1.559 326 HG12 VAL 44 HG12 VAL 44 -6.348 -3.594 -0.194 327 HG13 VAL 44 HG13 VAL 44 -5.095 -2.382 0.071 328 HG21 VAL 44 HG21 VAL 44 -6.167 0.324 -0.230 329 HG22 VAL 44 HG22 VAL 44 -6.694 0.217 -1.911 330 HG23 VAL 44 HG23 VAL 44 -5.162 -0.505 -1.419 331 H ILE 45 H ILE 45 -9.746 -2.739 -0.446 332 HA ILE 45 HA ILE 45 -9.197 -5.517 -0.280 333 HB ILE 45 HB ILE 45 -11.912 -4.173 -0.112 334 HG12 ILE 45 HG13 ILE 45 -10.459 -3.046 1.441 335 HG13 ILE 45 HG12 ILE 45 -11.406 -4.194 2.377 336 HG21 ILE 45 HG21 ILE 45 -11.924 -6.643 -0.272 337 HG22 ILE 45 HG22 ILE 45 -12.479 -6.080 1.304 338 HG23 ILE 45 HG23 ILE 45 -10.847 -6.722 1.121 339 HD11 ILE 45 HD11 ILE 45 -9.419 -5.822 1.970 340 HD12 ILE 45 HD12 ILE 45 -9.221 -4.544 3.167 341 HD13 ILE 45 HD13 ILE 45 -8.513 -4.365 1.563 342 H ALA 46 H ALA 46 -11.491 -3.784 -2.419 343 HA ALA 46 HA ALA 46 -12.298 -6.148 -3.840 344 HB1 ALA 46 HB1 ALA 46 -12.867 -3.348 -3.933 345 HB2 ALA 46 HB2 ALA 46 -13.753 -4.663 -4.705 346 HB3 ALA 46 HB3 ALA 46 -12.434 -3.867 -5.562 347 H TRP 47 H TRP 47 -9.770 -3.728 -4.419 348 HA TRP 47 HA TRP 47 -8.899 -4.795 -6.948 349 HB2 TRP 47 HB3 TRP 47 -8.276 -2.545 -6.318 350 HB3 TRP 47 HB2 TRP 47 -7.503 -3.118 -4.842 351 HD1 TRP 47 HD1 TRP 47 -7.092 -3.270 -8.664 352 HE1 TRP 47 HE1 TRP 47 -4.601 -3.675 -9.191 353 HE3 TRP 47 HE3 TRP 47 -5.286 -3.935 -3.935 354 HZ2 TRP 47 HZ2 TRP 47 -2.163 -4.209 -7.790 355 HZ3 TRP 47 HZ3 TRP 47 -2.879 -4.389 -3.559 356 HH2 TRP 47 HH2 TRP 47 -1.316 -4.528 -5.480 357 H LEU 48 H LEU 48 -7.885 -5.350 -3.586 358 HA LEU 48 HA LEU 48 -5.675 -7.048 -4.136 359 HB2 LEU 48 HB3 LEU 48 -6.300 -6.078 -1.891 360 HB3 LEU 48 HB2 LEU 48 -7.594 -7.261 -1.802 361 HG LEU 48 HG LEU 48 -5.721 -8.999 -2.269 362 HD11 LEU 48 HD11 LEU 48 -3.563 -8.319 -2.170 363 HD12 LEU 48 HD12 LEU 48 -3.880 -7.248 -0.805 364 HD13 LEU 48 HD13 LEU 48 -4.209 -6.702 -2.447 365 HD21 LEU 48 HD21 LEU 48 -6.545 -7.601 0.198 366 HD22 LEU 48 HD22 LEU 48 -5.046 -8.519 0.340 367 HD23 LEU 48 HD23 LEU 48 -6.529 -9.327 -0.163 368 H GLU 49 H GLU 49 -9.113 -7.824 -3.571 369 HA GLU 49 HA GLU 49 -8.792 -10.656 -3.992 370 HB2 GLU 49 HB3 GLU 49 -10.745 -9.747 -2.806 371 HB3 GLU 49 HB2 GLU 49 -11.259 -8.914 -4.266 372 HG2 GLU 49 HG3 GLU 49 -11.469 -11.088 -5.418 373 HG3 GLU 49 HG2 GLU 49 -10.996 -11.908 -3.938 374 H ASP 50 H ASP 50 -9.448 -7.918 -6.100 375 HA ASP 50 HA ASP 50 -10.260 -9.321 -8.414 376 HB2 ASP 50 HB3 ASP 50 -8.717 -6.757 -8.064 377 HB3 ASP 50 HB2 ASP 50 -9.324 -7.301 -9.617 378 H ARG 51 H ARG 51 -6.971 -8.390 -7.378 379 HA ARG 51 HA ARG 51 -5.816 -9.883 -9.630 380 HB2 ARG 51 HB3 ARG 51 -4.571 -8.303 -7.371 381 HB3 ARG 51 HB2 ARG 51 -3.652 -9.090 -8.651 382 HG2 ARG 51 HG3 ARG 51 -4.951 -7.781 -10.336 383 HG3 ARG 51 HG2 ARG 51 -5.742 -6.927 -9.010 384 HD2 ARG 51 HD3 ARG 51 -3.912 -5.544 -9.715 385 HD3 ARG 51 HD2 ARG 51 -3.428 -6.286 -8.190 386 HE ARG 51 HE ARG 51 -2.415 -8.051 -10.007 387 HH11 ARG 51 HH11 ARG 51 -0.413 -7.836 -11.036 388 HH12 ARG 51 HH12 ARG 51 0.265 -6.258 -11.261 389 HH21 ARG 51 HH21 ARG 51 -2.384 -4.613 -9.742 390 HH22 ARG 51 HH22 ARG 51 -0.851 -4.434 -10.528 391 H PHE 52 H PHE 52 -5.556 -10.059 -6.049 392 HA PHE 52 HA PHE 52 -4.120 -12.585 -6.215 393 HB2 PHE 52 HB3 PHE 52 -5.312 -11.094 -3.867 394 HB3 PHE 52 HB2 PHE 52 -4.290 -12.522 -3.734 395 HD1 PHE 52 HD1 PHE 52 -1.920 -12.455 -4.492 396 HD2 PHE 52 HD2 PHE 52 -4.387 -8.939 -4.418 397 HE1 PHE 52 HE1 PHE 52 0.103 -11.032 -4.675 398 HE2 PHE 52 HE2 PHE 52 -2.364 -7.516 -4.601 399 HZ PHE 52 HZ PHE 52 -0.119 -8.562 -4.730 400 H GLY 53 H GLY 53 -7.499 -11.694 -5.845 401 HA2 GLY 53 HA3 GLY 53 -9.368 -13.154 -5.978 402 HA3 GLY 53 HA2 GLY 53 -8.247 -14.504 -6.128 403 H ILE 54 H ILE 54 -8.062 -12.178 -3.496 404 HA ILE 54 HA ILE 54 -8.592 -14.401 -1.597 405 HB ILE 54 HB ILE 54 -7.484 -11.619 -1.107 406 HG12 ILE 54 HG13 ILE 54 -6.017 -14.268 -1.132 407 HG13 ILE 54 HG12 ILE 54 -6.097 -13.207 -2.537 408 HG21 ILE 54 HG21 ILE 54 -8.476 -13.667 0.654 409 HG22 ILE 54 HG22 ILE 54 -7.791 -12.097 1.071 410 HG23 ILE 54 HG23 ILE 54 -6.736 -13.498 0.886 411 HD11 ILE 54 HD11 ILE 54 -5.025 -11.409 -1.310 412 HD12 ILE 54 HD12 ILE 54 -4.037 -12.861 -1.145 413 HD13 ILE 54 HD13 ILE 54 -5.076 -12.346 0.184 414 H ALA 55 H ALA 55 -10.233 -14.238 -0.026 415 HA ALA 55 HA ALA 55 -12.594 -12.823 -0.743 416 HB1 ALA 55 HB1 ALA 55 -13.485 -14.154 0.841 417 HB2 ALA 55 HB2 ALA 55 -12.515 -13.383 2.095 418 HB3 ALA 55 HB3 ALA 55 -11.860 -14.745 1.187 419 H ALA 56 H ALA 56 -13.505 -10.918 0.069 420 HA ALA 56 HA ALA 56 -11.733 -8.798 0.750 421 HB1 ALA 56 HB1 ALA 56 -14.028 -7.739 1.544 422 HB2 ALA 56 HB2 ALA 56 -14.706 -9.167 0.764 423 HB3 ALA 56 HB3 ALA 56 -13.728 -8.036 -0.168 424 H ASP 57 H ASP 57 -13.715 -10.929 2.767 425 HA ASP 57 HA ASP 57 -12.770 -9.508 5.196 426 HB2 ASP 57 HB3 ASP 57 -14.815 -11.697 4.803 427 HB3 ASP 57 HB2 ASP 57 -14.379 -11.026 6.373 428 H ASP 58 H ASP 58 -11.431 -11.714 3.275 429 HA ASP 58 HA ASP 58 -10.852 -13.978 4.855 430 HB2 ASP 58 HB3 ASP 58 -10.216 -13.626 2.437 431 HB3 ASP 58 HB2 ASP 58 -8.894 -12.613 3.010 432 H VAL 59 H VAL 59 -9.276 -10.796 4.805 433 HA VAL 59 HA VAL 59 -8.032 -11.500 7.425 434 HB VAL 59 HB VAL 59 -5.954 -10.385 6.755 435 HG11 VAL 59 HG11 VAL 59 -6.820 -12.411 4.668 436 HG12 VAL 59 HG12 VAL 59 -6.260 -12.822 6.289 437 HG13 VAL 59 HG13 VAL 59 -5.163 -12.044 5.148 438 HG21 VAL 59 HG21 VAL 59 -7.432 -9.996 4.136 439 HG22 VAL 59 HG22 VAL 59 -5.691 -9.777 4.314 440 HG23 VAL 59 HG23 VAL 59 -6.806 -8.739 5.203 441 H GLU 60 H GLU 60 -7.660 -9.649 8.803 442 HA GLU 60 HA GLU 60 -8.930 -7.110 7.883 443 HB2 GLU 60 HB3 GLU 60 -9.441 -8.485 10.537 444 HB3 GLU 60 HB2 GLU 60 -10.057 -6.904 10.074 445 HG2 GLU 60 HG3 GLU 60 -11.225 -7.951 8.156 446 HG3 GLU 60 HG2 GLU 60 -10.666 -9.527 8.706 447 H LEU 61 H LEU 61 -7.407 -5.547 8.103 448 HA LEU 61 HA LEU 61 -5.385 -5.842 10.277 449 HB2 LEU 61 HB3 LEU 61 -5.190 -4.157 7.764 450 HB3 LEU 61 HB2 LEU 61 -3.906 -4.465 8.930 451 HG LEU 61 HG LEU 61 -3.533 -5.941 7.065 452 HD11 LEU 61 HD11 LEU 61 -3.466 -6.827 9.511 453 HD12 LEU 61 HD12 LEU 61 -3.407 -7.996 8.193 454 HD13 LEU 61 HD13 LEU 61 -4.918 -7.721 9.059 455 HD21 LEU 61 HD21 LEU 61 -6.057 -7.450 7.312 456 HD22 LEU 61 HD22 LEU 61 -5.177 -6.962 5.866 457 HD23 LEU 61 HD23 LEU 61 -6.252 -5.820 6.671 458 H SER 62 H SER 62 -5.141 -4.186 11.755 459 HA SER 62 HA SER 62 -7.294 -2.225 11.928 460 HB2 SER 62 HB3 SER 62 -6.744 -2.413 14.105 461 HB3 SER 62 HB2 SER 62 -5.308 -3.344 13.687 462 HG SER 62 HG SER 62 -5.552 -0.739 14.428 463 HA PRO 63 HA PRO 63 -5.531 1.284 9.963 464 HB2 PRO 63 HB3 PRO 63 -5.643 3.187 12.023 465 HB3 PRO 63 HB2 PRO 63 -6.945 2.814 10.882 466 HG2 PRO 63 HG3 PRO 63 -6.567 1.925 13.680 467 HG3 PRO 63 HG2 PRO 63 -8.061 2.243 12.782 468 HD2 PRO 63 HD3 PRO 63 -7.205 -0.279 13.317 469 HD3 PRO 63 HD2 PRO 63 -8.107 0.122 11.838 470 H GLU 64 H GLU 64 -4.220 0.404 13.098 471 HA GLU 64 HA GLU 64 -1.886 2.058 13.051 472 HB2 GLU 64 HB3 GLU 64 -2.344 -0.646 14.322 473 HB3 GLU 64 HB2 GLU 64 -0.956 0.381 14.648 474 HG2 GLU 64 HG3 GLU 64 -2.493 2.172 15.398 475 HG3 GLU 64 HG2 GLU 64 -3.853 1.086 15.141 476 H HIS 65 H HIS 65 -2.713 -0.929 11.450 477 HA HIS 65 HA HIS 65 -0.046 -1.759 10.766 478 HB2 HIS 65 HB3 HIS 65 -2.021 -3.251 10.628 479 HB3 HIS 65 HB2 HIS 65 -2.655 -2.273 9.304 480 HD1 HIS 65 HD1 HIS 65 -2.074 -3.143 7.052 481 HD2 HIS 65 HD2 HIS 65 0.798 -4.211 9.883 482 HE1 HIS 65 HE1 HIS 65 -0.363 -4.567 5.838 483 HE2 HIS 65 HE2 HIS 65 1.393 -5.215 7.551 484 H PHE 66 H PHE 66 -2.227 0.629 9.438 485 HA PHE 66 HA PHE 66 -0.597 0.915 6.980 486 HB2 PHE 66 HB3 PHE 66 -2.812 2.790 7.760 487 HB3 PHE 66 HB2 PHE 66 -2.329 2.249 6.154 488 HD1 PHE 66 HD1 PHE 66 -5.130 2.204 7.684 489 HD2 PHE 66 HD2 PHE 66 -2.130 -0.739 6.791 490 HE1 PHE 66 HE1 PHE 66 -6.849 0.420 7.778 491 HE2 PHE 66 HE2 PHE 66 -3.849 -2.520 6.886 492 HZ PHE 66 HZ PHE 66 -6.209 -1.942 7.381 493 H ARG 67 H ARG 67 -0.089 1.764 10.044 494 HA ARG 67 HA ARG 67 0.287 4.555 10.120 495 HB2 ARG 67 HB3 ARG 67 0.528 3.004 12.069 496 HB3 ARG 67 HB2 ARG 67 2.064 2.458 11.406 497 HG2 ARG 67 HG3 ARG 67 2.733 4.105 12.928 498 HG3 ARG 67 HG2 ARG 67 2.675 4.999 11.413 499 HD2 ARG 67 HD3 ARG 67 0.407 5.808 11.970 500 HD3 ARG 67 HD2 ARG 67 0.463 4.907 13.484 501 HE ARG 67 HE ARG 67 1.835 7.430 12.929 502 HH11 ARG 67 HH11 ARG 67 2.966 8.304 14.681 503 HH12 ARG 67 HH12 ARG 67 3.279 7.319 16.071 504 HH21 ARG 67 HH21 ARG 67 1.693 4.522 14.775 505 HH22 ARG 67 HH22 ARG 67 2.558 5.177 16.124 506 H SER 68 H SER 68 2.451 2.031 8.840 507 HA SER 68 HA SER 68 3.962 4.207 7.467 508 HB2 SER 68 HB3 SER 68 6.086 3.136 8.006 509 HB3 SER 68 HB2 SER 68 5.217 3.488 9.498 510 HG SER 68 HG SER 68 5.854 1.398 9.675 511 H ILE 69 H ILE 69 4.962 3.542 5.483 512 HA ILE 69 HA ILE 69 3.497 1.604 3.977 513 HB ILE 69 HB ILE 69 6.187 2.882 3.409 514 HG12 ILE 69 HG13 ILE 69 3.440 3.660 2.424 515 HG13 ILE 69 HG12 ILE 69 4.234 4.433 3.787 516 HG21 ILE 69 HG21 ILE 69 4.674 0.865 2.049 517 HG22 ILE 69 HG22 ILE 69 6.211 1.592 1.581 518 HG23 ILE 69 HG23 ILE 69 4.694 2.335 1.078 519 HD11 ILE 69 HD11 ILE 69 4.532 5.119 1.094 520 HD12 ILE 69 HD12 ILE 69 6.013 4.252 1.498 521 HD13 ILE 69 HD13 ILE 69 5.541 5.672 2.430 522 H ARG 70 H ARG 70 6.623 1.481 5.649 523 HA ARG 70 HA ARG 70 7.527 -0.994 4.583 524 HB2 ARG 70 HB3 ARG 70 9.005 -1.100 6.513 525 HB3 ARG 70 HB2 ARG 70 8.919 0.569 5.945 526 HG2 ARG 70 HG3 ARG 70 7.062 0.921 7.637 527 HG3 ARG 70 HG2 ARG 70 7.486 -0.651 8.311 528 HD2 ARG 70 HD3 ARG 70 9.834 0.161 8.607 529 HD3 ARG 70 HD2 ARG 70 9.313 1.756 8.065 530 HE ARG 70 HE ARG 70 8.388 2.096 10.203 531 HH11 ARG 70 HH11 ARG 70 7.769 1.429 12.273 532 HH12 ARG 70 HH12 ARG 70 7.760 -0.259 12.658 533 HH21 ARG 70 HH21 ARG 70 8.837 -1.252 9.514 534 HH22 ARG 70 HH22 ARG 70 8.365 -1.777 11.097 535 H SER 71 H SER 71 5.439 -0.309 7.387 536 HA SER 71 HA SER 71 5.283 -2.962 8.381 537 HB2 SER 71 HB3 SER 71 3.079 -0.881 8.369 538 HB3 SER 71 HB2 SER 71 3.228 -2.246 9.468 539 HG SER 71 HG SER 71 4.023 -0.213 10.304 540 H ILE 72 H ILE 72 3.410 -1.315 5.845 541 HA ILE 72 HA ILE 72 1.574 -3.458 5.376 542 HB ILE 72 HB ILE 72 2.577 -1.311 3.483 543 HG12 ILE 72 HG13 ILE 72 0.103 -1.372 5.240 544 HG13 ILE 72 HG12 ILE 72 1.575 -0.483 5.632 545 HG21 ILE 72 HG21 ILE 72 1.372 -2.492 1.985 546 HG22 ILE 72 HG22 ILE 72 -0.047 -1.936 2.870 547 HG23 ILE 72 HG23 ILE 72 0.662 -3.507 3.239 548 HD11 ILE 72 HD11 ILE 72 0.926 1.223 4.319 549 HD12 ILE 72 HD12 ILE 72 -0.583 0.371 3.992 550 HD13 ILE 72 HD13 ILE 72 0.809 0.137 2.935 551 H ASP 73 H ASP 73 4.742 -2.646 3.996 552 HA ASP 73 HA ASP 73 4.794 -4.581 1.924 553 HB2 ASP 73 HB3 ASP 73 6.484 -2.748 2.293 554 HB3 ASP 73 HB2 ASP 73 7.159 -3.711 3.609 555 H ALA 74 H ALA 74 5.596 -4.884 5.373 556 HA ALA 74 HA ALA 74 6.655 -7.537 5.212 557 HB1 ALA 74 HB1 ALA 74 5.572 -5.798 7.384 558 HB2 ALA 74 HB2 ALA 74 7.143 -6.590 7.260 559 HB3 ALA 74 HB3 ALA 74 5.717 -7.525 7.713 560 H PHE 75 H PHE 75 3.351 -6.341 5.782 561 HA PHE 75 HA PHE 75 2.181 -8.909 6.245 562 HB2 PHE 75 HB3 PHE 75 1.051 -6.743 6.736 563 HB3 PHE 75 HB2 PHE 75 0.871 -6.487 5.002 564 HD1 PHE 75 HD1 PHE 75 -0.077 -8.695 7.830 565 HD2 PHE 75 HD2 PHE 75 -0.800 -7.639 3.729 566 HE1 PHE 75 HE1 PHE 75 -2.129 -10.090 7.831 567 HE2 PHE 75 HE2 PHE 75 -2.851 -9.033 3.731 568 HZ PHE 75 HZ PHE 75 -3.515 -10.259 5.781 569 H VAL 76 H VAL 76 2.445 -6.974 3.253 570 HA VAL 76 HA VAL 76 1.211 -8.928 1.568 571 HB VAL 76 HB VAL 76 3.155 -6.678 1.000 572 HG11 VAL 76 HG11 VAL 76 2.053 -7.091 -1.379 573 HG12 VAL 76 HG12 VAL 76 1.908 -8.738 -0.767 574 HG13 VAL 76 HG13 VAL 76 3.494 -7.975 -0.880 575 HG21 VAL 76 HG21 VAL 76 0.434 -6.710 1.665 576 HG22 VAL 76 HG22 VAL 76 0.457 -6.516 -0.088 577 HG23 VAL 76 HG23 VAL 76 1.315 -5.367 0.938 578 H VAL 77 H VAL 77 4.614 -8.307 2.429 579 HA VAL 77 HA VAL 77 5.780 -10.212 0.674 580 HB VAL 77 HB VAL 77 6.654 -9.166 3.377 581 HG11 VAL 77 HG11 VAL 77 8.944 -9.974 2.363 582 HG12 VAL 77 HG12 VAL 77 7.920 -11.084 1.453 583 HG13 VAL 77 HG13 VAL 77 7.907 -11.116 3.216 584 HG21 VAL 77 HG21 VAL 77 8.088 -8.495 0.876 585 HG22 VAL 77 HG22 VAL 77 7.638 -7.455 2.227 586 HG23 VAL 77 HG23 VAL 77 6.449 -7.856 0.988 587 H GLY 78 H GLY 78 4.538 -10.530 3.986 588 HA2 GLY 78 HA3 GLY 78 5.359 -13.214 4.435 589 HA3 GLY 78 HA2 GLY 78 3.997 -12.434 5.235 590 H ALA 79 H ALA 79 2.572 -11.922 2.677 591 HA ALA 79 HA ALA 79 1.554 -14.691 2.321 592 HB1 ALA 79 HB1 ALA 79 -0.092 -13.021 3.026 593 HB2 ALA 79 HB2 ALA 79 -0.466 -13.592 1.400 594 HB3 ALA 79 HB3 ALA 79 0.303 -12.022 1.627 595 H THR 80 H THR 80 2.308 -11.816 0.334 596 HA THR 80 HA THR 80 2.938 -13.697 -1.905 597 HB THR 80 HB THR 80 1.867 -12.269 -3.485 598 HG1 THR 80 HG1 THR 80 0.875 -10.278 -2.584 599 HG21 THR 80 HG21 THR 80 0.455 -13.534 -1.526 600 HG22 THR 80 HG22 THR 80 -0.286 -12.738 -2.914 601 HG23 THR 80 HG23 THR 80 -0.164 -11.890 -1.372 602 H THR 81 H THR 81 4.540 -12.841 -3.423 603 HA THR 81 HA THR 81 6.101 -10.529 -2.389 604 HB THR 81 HB THR 81 7.362 -12.309 -1.508 605 HG1 THR 81 HG1 THR 81 9.098 -12.549 -3.193 606 HG21 THR 81 HG21 THR 81 6.602 -13.728 -4.057 607 HG22 THR 81 HG22 THR 81 6.301 -14.223 -2.391 608 HG23 THR 81 HG23 THR 81 7.933 -14.301 -3.053 609 HA PRO 82 HA PRO 82 5.272 -10.136 -6.920 610 HB2 PRO 82 HB3 PRO 82 5.648 -7.275 -6.336 611 HB3 PRO 82 HB2 PRO 82 4.272 -8.096 -7.091 612 HG2 PRO 82 HG3 PRO 82 4.186 -7.056 -4.602 613 HG3 PRO 82 HG2 PRO 82 3.229 -8.459 -5.105 614 HD2 PRO 82 HD3 PRO 82 5.693 -8.367 -3.417 615 HD3 PRO 82 HD2 PRO 82 4.309 -9.482 -3.342 616 HA PRO 83 HA PRO 83 9.282 -9.312 -8.605 617 HB2 PRO 83 HB3 PRO 83 8.528 -6.770 -9.920 618 HB3 PRO 83 HB2 PRO 83 9.082 -8.290 -10.642 619 HG2 PRO 83 HG3 PRO 83 6.541 -7.454 -10.826 620 HG3 PRO 83 HG2 PRO 83 6.977 -9.169 -10.739 621 HD2 PRO 83 HD3 PRO 83 5.824 -7.409 -8.613 622 HD3 PRO 83 HD2 PRO 83 5.555 -9.138 -8.920 623 H VAL 84 H VAL 84 11.238 -8.131 -8.217 624 HA VAL 84 HA VAL 84 10.956 -6.032 -6.128 625 HB VAL 84 HB VAL 84 13.449 -7.503 -7.031 626 HG11 VAL 84 HG11 VAL 84 12.981 -5.269 -5.299 627 HG12 VAL 84 HG12 VAL 84 14.507 -6.079 -5.651 628 HG13 VAL 84 HG13 VAL 84 13.500 -6.637 -4.315 629 HG21 VAL 84 HG21 VAL 84 12.786 -8.449 -4.528 630 HG22 VAL 84 HG22 VAL 84 12.453 -9.291 -6.041 631 HG23 VAL 84 HG23 VAL 84 11.205 -8.292 -5.294 632 H GLU 85 H GLU 85 11.408 -3.936 -6.607 633 HA GLU 85 HA GLU 85 13.077 -3.349 -8.999 634 HB2 GLU 85 HB3 GLU 85 10.435 -2.019 -8.322 635 HB3 GLU 85 HB2 GLU 85 11.507 -1.550 -9.642 636 HG2 GLU 85 HG3 GLU 85 11.271 -3.829 -10.611 637 HG3 GLU 85 HG2 GLU 85 10.133 -4.234 -9.326 638 H ALA 86 H ALA 86 14.015 -1.151 -8.915 639 HA ALA 86 HA ALA 86 14.465 -0.321 -6.094 640 HB1 ALA 86 HB1 ALA 86 15.959 0.227 -8.670 641 HB2 ALA 86 HB2 ALA 86 16.515 -0.701 -7.277 642 HB3 ALA 86 HB3 ALA 86 16.337 1.049 -7.156 643 H LYS 87 H LYS 87 13.843 1.702 -5.369 644 HA LYS 87 HA LYS 87 11.788 3.121 -6.722 645 HB2 LYS 87 HB3 LYS 87 13.687 4.061 -4.552 646 HB3 LYS 87 HB2 LYS 87 12.236 4.929 -5.055 647 HG2 LYS 87 HG3 LYS 87 10.882 2.902 -4.498 648 HG3 LYS 87 HG2 LYS 87 12.346 2.136 -3.880 649 HD2 LYS 87 HD3 LYS 87 12.618 4.036 -2.282 650 HD3 LYS 87 HD2 LYS 87 11.080 4.690 -2.847 651 HE2 LYS 87 HE3 LYS 87 10.007 3.356 -1.387 652 HE3 LYS 87 HE2 LYS 87 10.635 1.950 -2.249 653 HZ1 LYS 87 HZ1 LYS 87 12.680 3.048 -0.668 654 HZ2 LYS 87 HZ2 LYS 87 11.955 1.516 -0.547 655 HZ3 LYS 87 HZ3 LYS 87 11.308 2.836 0.306 656 H LEU 88 H LEU 88 15.298 3.561 -6.713 657 HA LEU 88 HA LEU 88 14.983 5.882 -8.553 658 HB2 LEU 88 HB3 LEU 88 16.502 6.111 -6.574 659 HB3 LEU 88 HB2 LEU 88 17.495 4.813 -7.233 660 HG LEU 88 HG LEU 88 17.748 6.178 -9.339 661 HD11 LEU 88 HD11 LEU 88 16.126 8.065 -7.663 662 HD12 LEU 88 HD12 LEU 88 16.023 7.736 -9.392 663 HD13 LEU 88 HD13 LEU 88 17.336 8.728 -8.760 664 HD21 LEU 88 HD21 LEU 88 18.692 7.610 -6.840 665 HD22 LEU 88 HD22 LEU 88 19.476 7.589 -8.419 666 HD23 LEU 88 HD23 LEU 88 19.424 6.122 -7.441 667 H GLN 89 H GLN 89 15.384 5.623 -10.703 668 HA GLN 89 HA GLN 89 16.561 3.019 -11.579 669 HB2 GLN 89 HB3 GLN 89 14.772 4.978 -13.050 670 HB3 GLN 89 HB2 GLN 89 15.442 3.508 -13.755 671 HG2 GLN 89 HG3 GLN 89 14.290 2.148 -12.065 672 HG3 GLN 89 HG2 GLN 89 13.648 3.608 -11.312 673 HE21 GLN 89 HE21 GLN 89 11.880 1.619 -12.336 674 HE22 GLN 89 HE22 GLN 89 11.075 2.252 -13.690 675 H3 7V9 101 1H1 NIA 101 -10.785 2.630 7.229 676 H4 7V9 101 2H1 NIA 101 -11.735 1.149 7.127 677 H5 7V9 101 1HE1 NIA 101 -12.055 1.952 10.479 678 H6 7V9 101 2HE1 NIA 101 -10.876 3.198 10.074 679 H7 7V9 101 3HE1 NIA 101 -10.393 1.812 11.052 680 H8 7V9 101 2HE2 NIA 101 -8.611 0.779 9.304 681 H9 7V9 101 3HE2 NIA 101 -8.821 2.502 8.994 682 H10 7V9 101 1HE2 NIA 101 -8.939 1.347 7.666 683 H11 7V9 101 3H NIA 101 -12.040 -0.258 8.895 684 H12 7V9 101 3HO NIA 101 -10.031 0.044 10.823 685 H13 7V9 101 5H NIA 101 -8.552 -1.718 9.155 686 H14 7V9 101 1H6 NIA 101 -9.269 -3.959 9.261 687 H15 7V9 101 2H6 NIA 101 -10.918 -3.389 9.010 688 H16 7V9 101 1H7 NIA 101 -10.409 -3.102 6.584 689 H17 7V9 101 2H7 NIA 101 -10.245 -4.775 7.114 690 H18 7V9 101 9H NIA 101 -8.921 -3.534 4.833 691 H19 7V9 101 1H10 NIA 101 -6.663 -2.697 4.313 692 H20 7V9 101 2H10 NIA 101 -6.077 -3.535 5.749 693 H21 7V9 101 1H11 NIA 101 -6.817 -4.662 3.068 694 H22 7V9 101 2H11 NIA 101 -6.977 -5.677 4.501 695 H25 7V9 101 5H1 NIA 101 -1.582 -3.632 2.796 696 H26 7V9 101 7H1 NIA 101 -1.915 -4.837 -1.207 697 H27 7V9 101 8H1 NIA 101 -4.389 -4.938 -1.000 698 H28 7V9 101 9H1 NIA 101 -5.348 -4.988 1.322 Start of MODEL 7 1 H1 MET 1 H1 MET 1 11.950 -5.861 3.435 2 H2 MET 1 H2 MET 1 10.634 -5.111 4.206 3 H3 MET 1 H3 MET 1 12.207 -4.507 4.422 4 HA MET 1 HA MET 1 10.356 -3.691 2.548 5 HB2 MET 1 HB3 MET 1 13.349 -3.244 2.771 6 HB3 MET 1 HB2 MET 1 12.261 -2.268 1.783 7 HG2 MET 1 HG3 MET 1 10.930 -1.778 3.856 8 HG3 MET 1 HG2 MET 1 12.177 -2.599 4.793 9 HE1 MET 1 HE1 MET 1 14.519 -2.255 4.479 10 HE2 MET 1 HE2 MET 1 15.296 -0.673 4.461 11 HE3 MET 1 HE3 MET 1 14.941 -1.488 2.941 12 H GLN 2 H GLN 2 10.828 -6.484 2.021 13 HA GLN 2 HA GLN 2 12.591 -6.956 -0.159 14 HB2 GLN 2 HB3 GLN 2 9.917 -8.256 0.448 15 HB3 GLN 2 HB2 GLN 2 11.130 -8.896 -0.661 16 HG2 GLN 2 HG3 GLN 2 11.557 -8.391 2.299 17 HG3 GLN 2 HG2 GLN 2 11.293 -9.971 1.561 18 HE21 GLN 2 HE21 GLN 2 13.755 -8.344 2.845 19 HE22 GLN 2 HE22 GLN 2 15.020 -8.763 1.794 20 H HIS 3 H HIS 3 9.273 -5.711 -0.077 21 HA HIS 3 HA HIS 3 9.640 -4.830 -2.897 22 HB2 HIS 3 HB3 HIS 3 7.085 -6.109 -1.880 23 HB3 HIS 3 HB2 HIS 3 7.438 -5.603 -3.533 24 HD1 HIS 3 HD1 HIS 3 9.729 -6.864 -4.543 25 HD2 HIS 3 HD2 HIS 3 7.643 -8.783 -1.483 26 HE1 HIS 3 HE1 HIS 3 10.438 -9.295 -4.608 27 HE2 HIS 3 HE2 HIS 3 9.174 -10.472 -2.750 28 H ALA 4 H ALA 4 9.676 -3.503 -0.216 29 HA ALA 4 HA ALA 4 7.266 -2.074 0.265 30 HB1 ALA 4 HB1 ALA 4 8.763 -1.806 2.003 31 HB2 ALA 4 HB2 ALA 4 9.046 -0.295 1.139 32 HB3 ALA 4 HB3 ALA 4 10.150 -1.652 0.924 33 H SER 5 H SER 5 9.915 -1.444 -2.007 34 HA SER 5 HA SER 5 9.224 1.223 -2.694 35 HB2 SER 5 HB3 SER 5 10.311 -0.900 -4.562 36 HB3 SER 5 HB2 SER 5 10.443 0.844 -4.766 37 HG SER 5 HG SER 5 11.977 -0.839 -3.322 38 H VAL 6 H VAL 6 7.983 -1.867 -3.919 39 HA VAL 6 HA VAL 6 6.316 -0.747 -5.966 40 HB VAL 6 HB VAL 6 6.086 -3.313 -4.385 41 HG11 VAL 6 HG11 VAL 6 4.722 -3.701 -6.738 42 HG12 VAL 6 HG12 VAL 6 4.282 -2.041 -6.334 43 HG13 VAL 6 HG13 VAL 6 3.961 -3.343 -5.189 44 HG21 VAL 6 HG21 VAL 6 6.639 -3.611 -7.186 45 HG22 VAL 6 HG22 VAL 6 7.650 -4.074 -5.817 46 HG23 VAL 6 HG23 VAL 6 7.782 -2.454 -6.504 47 H ILE 7 H ILE 7 5.840 -1.367 -2.534 48 HA ILE 7 HA ILE 7 3.035 -0.829 -2.443 49 HB ILE 7 HB ILE 7 5.086 -0.343 -0.282 50 HG12 ILE 7 HG13 ILE 7 5.379 -2.603 -1.036 51 HG13 ILE 7 HG12 ILE 7 4.418 -2.669 0.437 52 HG21 ILE 7 HG21 ILE 7 2.189 -1.144 0.011 53 HG22 ILE 7 HG22 ILE 7 2.699 0.546 -0.012 54 HG23 ILE 7 HG23 ILE 7 3.280 -0.534 1.253 55 HD11 ILE 7 HD11 ILE 7 2.373 -2.576 -1.147 56 HD12 ILE 7 HD12 ILE 7 3.254 -4.097 -1.009 57 HD13 ILE 7 HD13 ILE 7 3.519 -3.047 -2.401 58 H ALA 8 H ALA 8 5.853 1.305 -1.962 59 HA ALA 8 HA ALA 8 4.338 3.623 -1.288 60 HB1 ALA 8 HB1 ALA 8 6.696 3.601 -0.834 61 HB2 ALA 8 HB2 ALA 8 6.413 4.871 -2.025 62 HB3 ALA 8 HB3 ALA 8 7.078 3.318 -2.532 63 H GLN 9 H GLN 9 5.703 2.652 -4.458 64 HA GLN 9 HA GLN 9 4.479 4.881 -5.827 65 HB2 GLN 9 HB3 GLN 9 4.991 3.528 -7.906 66 HB3 GLN 9 HB2 GLN 9 6.382 3.845 -6.871 67 HG2 GLN 9 HG3 GLN 9 6.740 1.636 -6.701 68 HG3 GLN 9 HG2 GLN 9 5.162 1.455 -5.938 69 HE21 GLN 9 HE21 GLN 9 3.247 1.395 -7.592 70 HE22 GLN 9 HE22 GLN 9 3.524 0.551 -9.039 71 H PHE 10 H PHE 10 3.528 1.509 -5.294 72 HA PHE 10 HA PHE 10 1.205 1.576 -6.972 73 HB2 PHE 10 HB3 PHE 10 2.256 -0.513 -6.097 74 HB3 PHE 10 HB2 PHE 10 1.668 -0.097 -4.487 75 HD1 PHE 10 HD1 PHE 10 -0.662 -0.319 -3.898 76 HD2 PHE 10 HD2 PHE 10 0.659 -1.050 -7.919 77 HE1 PHE 10 HE1 PHE 10 -2.859 -1.337 -4.434 78 HE2 PHE 10 HE2 PHE 10 -1.538 -2.067 -8.456 79 HZ PHE 10 HZ PHE 10 -3.298 -2.211 -6.713 80 H VAL 11 H VAL 11 1.531 1.981 -3.432 81 HA VAL 11 HA VAL 11 -1.246 2.636 -3.046 82 HB VAL 11 HB VAL 11 0.493 1.891 -1.283 83 HG11 VAL 11 HG11 VAL 11 0.933 4.875 -1.076 84 HG12 VAL 11 HG12 VAL 11 2.047 3.821 -1.944 85 HG13 VAL 11 HG13 VAL 11 1.782 3.590 -0.218 86 HG21 VAL 11 HG21 VAL 11 -1.704 3.877 -1.066 87 HG22 VAL 11 HG22 VAL 11 -0.661 3.721 0.348 88 HG23 VAL 11 HG23 VAL 11 -1.521 2.311 -0.273 89 H VAL 12 H VAL 12 1.664 4.618 -3.524 90 HA VAL 12 HA VAL 12 0.366 7.145 -3.145 91 HB VAL 12 HB VAL 12 2.828 6.395 -4.723 92 HG11 VAL 12 HG11 VAL 12 1.432 8.983 -4.268 93 HG12 VAL 12 HG12 VAL 12 2.426 8.465 -5.628 94 HG13 VAL 12 HG13 VAL 12 3.190 8.990 -4.129 95 HG21 VAL 12 HG21 VAL 12 2.813 7.905 -2.137 96 HG22 VAL 12 HG22 VAL 12 4.039 6.817 -2.787 97 HG23 VAL 12 HG23 VAL 12 2.557 6.162 -2.092 98 H GLU 13 H GLU 13 0.931 5.143 -6.014 99 HA GLU 13 HA GLU 13 0.070 6.913 -8.010 100 HB2 GLU 13 HB3 GLU 13 0.994 4.629 -8.416 101 HB3 GLU 13 HB2 GLU 13 -0.548 3.960 -7.893 102 HG2 GLU 13 HG3 GLU 13 -1.689 5.264 -9.679 103 HG3 GLU 13 HG2 GLU 13 -0.111 5.812 -10.237 104 H GLU 14 H GLU 14 -1.832 5.129 -5.659 105 HA GLU 14 HA GLU 14 -4.385 5.471 -6.922 106 HB2 GLU 14 HB3 GLU 14 -3.657 5.179 -3.992 107 HB3 GLU 14 HB2 GLU 14 -5.299 5.074 -4.630 108 HG2 GLU 14 HG3 GLU 14 -4.594 3.192 -6.087 109 HG3 GLU 14 HG2 GLU 14 -2.978 3.273 -5.384 110 H PHE 15 H PHE 15 -2.403 7.569 -4.914 111 HA PHE 15 HA PHE 15 -4.276 9.787 -5.518 112 HB2 PHE 15 HB3 PHE 15 -4.368 10.534 -3.212 113 HB3 PHE 15 HB2 PHE 15 -4.899 8.853 -3.270 114 HD1 PHE 15 HD1 PHE 15 -3.234 7.020 -2.705 115 HD2 PHE 15 HD2 PHE 15 -2.466 11.176 -1.935 116 HE1 PHE 15 HE1 PHE 15 -1.449 6.394 -1.100 117 HE2 PHE 15 HE2 PHE 15 -0.681 10.550 -0.334 118 HZ PHE 15 HZ PHE 15 -0.172 8.159 0.084 119 H LEU 16 H LEU 16 -1.758 9.308 -6.685 120 HA LEU 16 HA LEU 16 0.245 10.848 -5.249 121 HB2 LEU 16 HB3 LEU 16 1.744 10.218 -6.891 122 HB3 LEU 16 HB2 LEU 16 0.602 8.893 -6.951 123 HG LEU 16 HG LEU 16 0.574 11.292 -8.811 124 HD11 LEU 16 HD11 LEU 16 1.450 9.798 -10.482 125 HD12 LEU 16 HD12 LEU 16 1.347 8.426 -9.379 126 HD13 LEU 16 HD13 LEU 16 2.510 9.716 -9.075 127 HD21 LEU 16 HD21 LEU 16 -1.155 10.130 -10.013 128 HD22 LEU 16 HD22 LEU 16 -1.652 10.101 -8.324 129 HD23 LEU 16 HD23 LEU 16 -0.931 8.672 -9.052 130 HA PRO 17 HA PRO 17 -1.232 14.718 -6.961 131 HB2 PRO 17 HB3 PRO 17 0.690 16.359 -5.955 132 HB3 PRO 17 HB2 PRO 17 -0.582 15.662 -4.937 133 HG2 PRO 17 HG3 PRO 17 2.253 14.825 -5.258 134 HG3 PRO 17 HG2 PRO 17 1.255 14.897 -3.798 135 HD2 PRO 17 HD3 PRO 17 1.768 12.571 -5.188 136 HD3 PRO 17 HD2 PRO 17 0.337 12.828 -4.168 137 H ASP 18 H ASP 18 0.752 16.747 -7.669 138 HA ASP 18 HA ASP 18 1.531 15.708 -10.277 139 HB2 ASP 18 HB3 ASP 18 2.001 18.364 -8.911 140 HB3 ASP 18 HB2 ASP 18 2.482 18.012 -10.566 141 H VAL 19 H VAL 19 2.776 14.854 -7.540 142 HA VAL 19 HA VAL 19 5.632 15.325 -8.303 143 HB VAL 19 HB VAL 19 4.498 14.552 -5.600 144 HG11 VAL 19 HG11 VAL 19 7.249 15.143 -6.666 145 HG12 VAL 19 HG12 VAL 19 6.724 13.816 -5.629 146 HG13 VAL 19 HG13 VAL 19 6.871 15.446 -4.971 147 HG21 VAL 19 HG21 VAL 19 4.788 16.840 -4.947 148 HG22 VAL 19 HG22 VAL 19 3.906 16.880 -6.472 149 HG23 VAL 19 HG23 VAL 19 5.634 17.230 -6.443 150 H ALA 20 H ALA 20 6.887 13.537 -8.740 151 HA ALA 20 HA ALA 20 5.576 10.974 -9.055 152 HB1 ALA 20 HB1 ALA 20 7.368 10.468 -10.347 153 HB2 ALA 20 HB2 ALA 20 8.510 10.950 -9.091 154 HB3 ALA 20 HB3 ALA 20 7.805 12.167 -10.155 155 HA PRO 21 HA PRO 21 6.127 9.317 -4.936 156 HB2 PRO 21 HB3 PRO 21 7.072 6.830 -6.270 157 HB3 PRO 21 HB2 PRO 21 5.774 7.049 -5.083 158 HG2 PRO 21 HG3 PRO 21 5.326 6.624 -7.712 159 HG3 PRO 21 HG2 PRO 21 4.229 7.539 -6.668 160 HD2 PRO 21 HD3 PRO 21 5.991 8.520 -8.821 161 HD3 PRO 21 HD2 PRO 21 4.566 9.280 -8.081 162 H ALA 22 H ALA 22 8.645 8.880 -7.371 163 HA ALA 22 HA ALA 22 10.758 8.124 -5.579 164 HB1 ALA 22 HB1 ALA 22 11.315 7.715 -7.797 165 HB2 ALA 22 HB2 ALA 22 12.160 9.241 -7.535 166 HB3 ALA 22 HB3 ALA 22 10.601 9.226 -8.362 167 H ASP 23 H ASP 23 9.228 11.143 -6.285 168 HA ASP 23 HA ASP 23 11.440 12.689 -5.050 169 HB2 ASP 23 HB3 ASP 23 8.859 13.545 -6.392 170 HB3 ASP 23 HB2 ASP 23 10.016 14.666 -5.674 171 H VAL 24 H VAL 24 8.927 10.903 -3.995 172 HA VAL 24 HA VAL 24 8.192 12.785 -1.801 173 HB VAL 24 HB VAL 24 6.913 10.146 -2.590 174 HG11 VAL 24 HG11 VAL 24 5.180 11.879 -1.143 175 HG12 VAL 24 HG12 VAL 24 6.705 11.809 -0.259 176 HG13 VAL 24 HG13 VAL 24 5.830 10.323 -0.627 177 HG21 VAL 24 HG21 VAL 24 6.471 11.668 -4.368 178 HG22 VAL 24 HG22 VAL 24 6.264 13.023 -3.259 179 HG23 VAL 24 HG23 VAL 24 5.045 11.752 -3.334 180 H ASP 25 H ASP 25 8.824 12.296 0.292 181 HA ASP 25 HA ASP 25 10.885 10.299 0.638 182 HB2 ASP 25 HB3 ASP 25 10.722 12.439 1.956 183 HB3 ASP 25 HB2 ASP 25 9.328 11.755 2.795 184 H VAL 26 H VAL 26 10.072 8.234 0.234 185 HA VAL 26 HA VAL 26 7.554 7.236 1.117 186 HB VAL 26 HB VAL 26 8.487 5.015 0.723 187 HG11 VAL 26 HG11 VAL 26 9.333 5.344 -1.565 188 HG12 VAL 26 HG12 VAL 26 9.631 7.047 -1.218 189 HG13 VAL 26 HG13 VAL 26 7.979 6.429 -1.245 190 HG21 VAL 26 HG21 VAL 26 11.101 6.510 0.948 191 HG22 VAL 26 HG22 VAL 26 11.001 4.968 0.098 192 HG23 VAL 26 HG23 VAL 26 10.590 5.058 1.810 193 H ASP 27 H ASP 27 9.994 8.379 3.009 194 HA ASP 27 HA ASP 27 9.699 6.372 5.167 195 HB2 ASP 27 HB3 ASP 27 11.333 8.924 4.979 196 HB3 ASP 27 HB2 ASP 27 11.330 7.844 6.373 197 H LEU 28 H LEU 28 7.787 8.680 4.033 198 HA LEU 28 HA LEU 28 7.153 10.044 6.579 199 HB2 LEU 28 HB3 LEU 28 7.116 11.268 4.392 200 HB3 LEU 28 HB2 LEU 28 5.782 10.239 3.880 201 HG LEU 28 HG LEU 28 4.760 11.062 6.218 202 HD11 LEU 28 HD11 LEU 28 6.711 12.393 6.847 203 HD12 LEU 28 HD12 LEU 28 5.336 13.457 6.550 204 HD13 LEU 28 HD13 LEU 28 6.606 13.299 5.337 205 HD21 LEU 28 HD21 LEU 28 4.765 12.360 3.502 206 HD22 LEU 28 HD22 LEU 28 3.834 13.073 4.820 207 HD23 LEU 28 HD23 LEU 28 3.486 11.429 4.282 208 H ASP 29 H ASP 29 5.454 9.442 7.875 209 HA ASP 29 HA ASP 29 4.142 6.923 7.417 210 HB2 ASP 29 HB3 ASP 29 3.494 9.200 9.319 211 HB3 ASP 29 HB2 ASP 29 2.693 7.628 9.351 212 H LEU 30 H LEU 30 2.493 6.583 6.007 213 HA LEU 30 HA LEU 30 1.206 8.819 4.685 214 HB2 LEU 30 HB3 LEU 30 -0.044 7.113 3.460 215 HB3 LEU 30 HB2 LEU 30 1.654 6.647 3.550 216 HG LEU 30 HG LEU 30 0.465 5.607 5.875 217 HD11 LEU 30 HD11 LEU 30 -1.179 4.917 3.425 218 HD12 LEU 30 HD12 LEU 30 -1.722 6.014 4.696 219 HD13 LEU 30 HD13 LEU 30 -1.418 4.317 5.067 220 HD21 LEU 30 HD21 LEU 30 0.956 3.434 4.762 221 HD22 LEU 30 HD22 LEU 30 2.286 4.579 4.595 222 HD23 LEU 30 HD23 LEU 30 1.195 4.292 3.239 223 H VAL 31 H VAL 31 0.790 7.914 7.732 224 HA VAL 31 HA VAL 31 -1.933 7.326 8.128 225 HB VAL 31 HB VAL 31 -0.070 7.592 9.893 226 HG11 VAL 31 HG11 VAL 31 0.290 9.748 10.832 227 HG12 VAL 31 HG12 VAL 31 -1.081 10.439 9.964 228 HG13 VAL 31 HG13 VAL 31 0.383 9.990 9.088 229 HG21 VAL 31 HG21 VAL 31 -2.316 7.062 10.588 230 HG22 VAL 31 HG22 VAL 31 -2.859 8.713 10.287 231 HG23 VAL 31 HG23 VAL 31 -1.757 8.377 11.622 232 H ASP 32 H ASP 32 -0.367 10.427 7.463 233 HA ASP 32 HA ASP 32 -2.641 12.106 7.793 234 HB2 ASP 32 HB3 ASP 32 -0.326 12.307 5.837 235 HB3 ASP 32 HB2 ASP 32 -1.500 13.594 6.113 236 H ASN 33 H ASN 33 -1.576 10.019 5.180 237 HA ASN 33 HA ASN 33 -3.798 10.797 3.427 238 HB2 ASN 33 HB3 ASN 33 -1.792 8.550 3.157 239 HB3 ASN 33 HB2 ASN 33 -2.878 9.124 1.896 240 HD21 ASN 33 HD21 ASN 33 0.246 9.238 2.480 241 HD22 ASN 33 HD22 ASN 33 0.629 10.831 2.039 242 H GLY 34 H GLY 34 -4.004 9.424 6.183 243 HA2 GLY 34 HA3 GLY 34 -4.863 6.806 6.139 244 HA3 GLY 34 HA2 GLY 34 -5.670 8.038 7.112 245 H VAL 35 H VAL 35 -6.161 9.359 4.291 246 HA VAL 35 HA VAL 35 -8.887 8.731 4.039 247 HB VAL 35 HB VAL 35 -6.882 9.605 1.943 248 HG11 VAL 35 HG11 VAL 35 -9.704 8.796 1.696 249 HG12 VAL 35 HG12 VAL 35 -8.472 8.976 0.447 250 HG13 VAL 35 HG13 VAL 35 -9.351 10.390 1.029 251 HG21 VAL 35 HG21 VAL 35 -7.340 11.168 3.821 252 HG22 VAL 35 HG22 VAL 35 -9.061 11.092 3.444 253 HG23 VAL 35 HG23 VAL 35 -7.934 11.798 2.285 254 H ILE 36 H ILE 36 -6.072 7.092 2.683 255 HA ILE 36 HA ILE 36 -7.548 5.303 0.971 256 HB ILE 36 HB ILE 36 -5.006 5.866 0.976 257 HG12 ILE 36 HG13 ILE 36 -6.260 3.157 0.573 258 HG13 ILE 36 HG12 ILE 36 -5.715 4.314 -0.642 259 HG21 ILE 36 HG21 ILE 36 -4.921 5.084 3.452 260 HG22 ILE 36 HG22 ILE 36 -3.613 4.575 2.383 261 HG23 ILE 36 HG23 ILE 36 -4.915 3.453 2.784 262 HD11 ILE 36 HD11 ILE 36 -3.358 3.895 0.498 263 HD12 ILE 36 HD12 ILE 36 -3.975 2.782 -0.724 264 HD13 ILE 36 HD13 ILE 36 -4.114 2.379 0.988 265 H ASP 37 H ASP 37 -6.837 5.338 4.372 266 HA ASP 37 HA ASP 37 -6.950 2.606 5.016 267 HB2 ASP 37 HB3 ASP 37 -8.033 4.967 6.576 268 HB3 ASP 37 HB2 ASP 37 -7.808 3.352 7.236 269 H SER 38 H SER 38 -9.608 4.798 4.218 270 HA SER 38 HA SER 38 -11.485 2.500 4.603 271 HB2 SER 38 2HB SER 38 -11.604 5.069 5.677 272 HB3 SER 38 1HB SER 38 -12.761 5.097 4.351 273 H LEU 39 H LEU 39 -11.432 5.515 2.664 274 HA LEU 39 HA LEU 39 -13.111 4.467 0.619 275 HB2 LEU 39 HB3 LEU 39 -11.025 6.617 0.291 276 HB3 LEU 39 HB2 LEU 39 -12.482 6.399 -0.669 277 HG LEU 39 HG LEU 39 -12.276 7.245 2.216 278 HD11 LEU 39 HD11 LEU 39 -13.592 9.157 1.393 279 HD12 LEU 39 HD12 LEU 39 -13.606 8.445 -0.221 280 HD13 LEU 39 HD13 LEU 39 -12.087 8.989 0.489 281 HD21 LEU 39 HD21 LEU 39 -14.632 6.160 0.669 282 HD22 LEU 39 HD22 LEU 39 -14.851 7.253 2.035 283 HD23 LEU 39 HD23 LEU 39 -14.069 5.691 2.275 284 H GLY 40 H GLY 40 -9.577 4.902 0.630 285 HA2 GLY 40 HA3 GLY 40 -9.233 3.508 -1.875 286 HA3 GLY 40 HA2 GLY 40 -7.950 3.906 -0.740 287 H LEU 41 H LEU 41 -9.096 2.552 1.531 288 HA LEU 41 HA LEU 41 -8.021 -0.054 1.167 289 HB2 LEU 41 HB3 LEU 41 -8.320 0.982 3.386 290 HB3 LEU 41 HB2 LEU 41 -10.068 0.862 3.215 291 HG LEU 41 HG LEU 41 -8.291 -1.570 2.957 292 HD11 LEU 41 HD11 LEU 41 -8.532 -2.027 5.301 293 HD12 LEU 41 HD12 LEU 41 -9.607 -0.646 5.523 294 HD13 LEU 41 HD13 LEU 41 -7.901 -0.386 5.162 295 HD21 LEU 41 HD21 LEU 41 -10.314 -2.460 2.457 296 HD22 LEU 41 HD22 LEU 41 -11.178 -1.024 2.997 297 HD23 LEU 41 HD23 LEU 41 -10.702 -2.255 4.162 298 H LEU 42 H LEU 42 -11.358 1.128 0.989 299 HA LEU 42 HA LEU 42 -12.592 -1.422 0.613 300 HB2 LEU 42 HB3 LEU 42 -13.817 0.725 1.076 301 HB3 LEU 42 HB2 LEU 42 -13.468 1.227 -0.570 302 HG LEU 42 HG LEU 42 -14.554 -1.051 -1.242 303 HD11 LEU 42 HD11 LEU 42 -15.690 -2.212 0.340 304 HD12 LEU 42 HD12 LEU 42 -16.303 -0.745 1.100 305 HD13 LEU 42 HD13 LEU 42 -14.687 -1.328 1.489 306 HD21 LEU 42 HD21 LEU 42 -15.835 0.687 -2.002 307 HD22 LEU 42 HD22 LEU 42 -15.760 1.547 -0.464 308 HD23 LEU 42 HD23 LEU 42 -16.895 0.212 -0.674 309 H LYS 43 H LYS 43 -11.270 0.928 -1.721 310 HA LYS 43 HA LYS 43 -11.922 -0.628 -4.048 311 HB2 LYS 43 HB3 LYS 43 -9.822 1.494 -3.594 312 HB3 LYS 43 HB2 LYS 43 -10.248 0.841 -5.171 313 HG2 LYS 43 HG3 LYS 43 -12.609 1.555 -4.784 314 HG3 LYS 43 HG2 LYS 43 -12.097 2.313 -3.275 315 HD2 LYS 43 HD3 LYS 43 -10.478 3.705 -4.574 316 HD3 LYS 43 HD2 LYS 43 -11.127 3.013 -6.062 317 HE2 LYS 43 HE3 LYS 43 -13.427 3.805 -4.839 318 HE3 LYS 43 HE2 LYS 43 -12.308 5.032 -4.247 319 HZ1 LYS 43 HZ1 LYS 43 -13.516 4.939 -6.724 320 HZ2 LYS 43 HZ2 LYS 43 -11.889 4.541 -7.006 321 HZ3 LYS 43 HZ3 LYS 43 -12.286 5.997 -6.226 322 H VAL 44 H VAL 44 -9.019 -0.409 -2.008 323 HA VAL 44 HA VAL 44 -7.382 -2.122 -3.621 324 HB VAL 44 HB VAL 44 -7.297 -1.491 -0.660 325 HG11 VAL 44 HG11 VAL 44 -6.135 -3.573 -0.970 326 HG12 VAL 44 HG12 VAL 44 -4.905 -2.312 -0.884 327 HG13 VAL 44 HG13 VAL 44 -5.364 -2.991 -2.446 328 HG21 VAL 44 HG21 VAL 44 -6.335 0.434 -1.328 329 HG22 VAL 44 HG22 VAL 44 -6.623 -0.020 -3.009 330 HG23 VAL 44 HG23 VAL 44 -5.113 -0.473 -2.218 331 H ILE 45 H ILE 45 -9.514 -2.804 -0.850 332 HA ILE 45 HA ILE 45 -8.887 -5.556 -0.583 333 HB ILE 45 HB ILE 45 -11.101 -3.762 0.213 334 HG12 ILE 45 HG13 ILE 45 -10.666 -4.721 2.370 335 HG13 ILE 45 HG12 ILE 45 -9.812 -6.089 1.660 336 HG21 ILE 45 HG21 ILE 45 -12.458 -5.780 0.969 337 HG22 ILE 45 HG22 ILE 45 -11.488 -6.741 -0.145 338 HG23 ILE 45 HG23 ILE 45 -12.505 -5.436 -0.758 339 HD11 ILE 45 HD11 ILE 45 -7.886 -4.895 1.349 340 HD12 ILE 45 HD12 ILE 45 -8.550 -3.903 2.645 341 HD13 ILE 45 HD13 ILE 45 -8.751 -3.407 0.968 342 H ALA 46 H ALA 46 -11.497 -4.016 -2.496 343 HA ALA 46 HA ALA 46 -12.404 -6.480 -3.660 344 HB1 ALA 46 HB1 ALA 46 -13.661 -4.269 -3.619 345 HB2 ALA 46 HB2 ALA 46 -13.672 -5.106 -5.171 346 HB3 ALA 46 HB3 ALA 46 -12.597 -3.731 -4.919 347 H TRP 47 H TRP 47 -9.967 -4.099 -4.638 348 HA TRP 47 HA TRP 47 -9.468 -5.270 -7.228 349 HB2 TRP 47 HB3 TRP 47 -8.710 -3.040 -6.950 350 HB3 TRP 47 HB2 TRP 47 -7.890 -3.421 -5.435 351 HD1 TRP 47 HD1 TRP 47 -7.643 -4.225 -9.203 352 HE1 TRP 47 HE1 TRP 47 -5.175 -4.725 -9.758 353 HE3 TRP 47 HE3 TRP 47 -5.618 -3.983 -4.522 354 HZ2 TRP 47 HZ2 TRP 47 -2.672 -4.985 -8.397 355 HZ3 TRP 47 HZ3 TRP 47 -3.193 -4.360 -4.179 356 HH2 TRP 47 HH2 TRP 47 -1.719 -4.860 -6.109 357 H LEU 48 H LEU 48 -7.921 -5.629 -4.041 358 HA LEU 48 HA LEU 48 -5.815 -7.333 -4.832 359 HB2 LEU 48 HB3 LEU 48 -6.133 -6.297 -2.554 360 HB3 LEU 48 HB2 LEU 48 -7.370 -7.502 -2.240 361 HG LEU 48 HG LEU 48 -5.531 -9.213 -2.929 362 HD11 LEU 48 HD11 LEU 48 -3.391 -8.479 -3.106 363 HD12 LEU 48 HD12 LEU 48 -3.578 -7.345 -1.769 364 HD13 LEU 48 HD13 LEU 48 -4.124 -6.901 -3.384 365 HD21 LEU 48 HD21 LEU 48 -6.079 -9.483 -0.725 366 HD22 LEU 48 HD22 LEU 48 -6.021 -7.751 -0.399 367 HD23 LEU 48 HD23 LEU 48 -4.528 -8.689 -0.454 368 H GLU 49 H GLU 49 -9.108 -8.179 -3.741 369 HA GLU 49 HA GLU 49 -8.742 -11.013 -4.150 370 HB2 GLU 49 HB3 GLU 49 -10.512 -10.124 -2.684 371 HB3 GLU 49 HB2 GLU 49 -11.289 -9.366 -4.066 372 HG2 GLU 49 HG3 GLU 49 -11.569 -11.598 -5.100 373 HG3 GLU 49 HG2 GLU 49 -10.862 -12.331 -3.668 374 H ASP 50 H ASP 50 -9.957 -8.363 -6.150 375 HA ASP 50 HA ASP 50 -10.928 -9.950 -8.311 376 HB2 ASP 50 HB3 ASP 50 -11.369 -7.504 -7.951 377 HB3 ASP 50 HB2 ASP 50 -9.718 -7.191 -8.485 378 H ARG 51 H ARG 51 -7.722 -8.538 -7.702 379 HA ARG 51 HA ARG 51 -6.686 -9.657 -10.213 380 HB2 ARG 51 HB3 ARG 51 -5.947 -7.437 -9.360 381 HB3 ARG 51 HB2 ARG 51 -5.201 -8.248 -7.982 382 HG2 ARG 51 HG3 ARG 51 -3.774 -9.550 -9.514 383 HG3 ARG 51 HG2 ARG 51 -4.515 -8.739 -10.894 384 HD2 ARG 51 HD3 ARG 51 -3.733 -6.553 -9.977 385 HD3 ARG 51 HD2 ARG 51 -2.903 -7.425 -8.688 386 HE ARG 51 HE ARG 51 -1.832 -8.619 -10.870 387 HH11 ARG 51 HH11 ARG 51 -0.123 -7.827 -12.116 388 HH12 ARG 51 HH12 ARG 51 0.152 -6.118 -12.201 389 HH21 ARG 51 HH21 ARG 51 -2.501 -5.318 -10.118 390 HH22 ARG 51 HH22 ARG 51 -1.193 -4.700 -11.070 391 H PHE 52 H PHE 52 -5.808 -10.066 -6.750 392 HA PHE 52 HA PHE 52 -4.167 -12.383 -7.386 393 HB2 PHE 52 HB3 PHE 52 -5.058 -11.145 -4.776 394 HB3 PHE 52 HB2 PHE 52 -3.994 -12.546 -4.872 395 HD1 PHE 52 HD1 PHE 52 -4.275 -8.937 -5.332 396 HD2 PHE 52 HD2 PHE 52 -1.758 -12.360 -5.951 397 HE1 PHE 52 HE1 PHE 52 -2.336 -7.440 -5.716 398 HE2 PHE 52 HE2 PHE 52 0.182 -10.864 -6.335 399 HZ PHE 52 HZ PHE 52 -0.107 -8.404 -6.217 400 H GLY 53 H GLY 53 -7.512 -11.932 -6.486 401 HA2 GLY 53 HA3 GLY 53 -9.205 -13.605 -6.468 402 HA3 GLY 53 HA2 GLY 53 -7.960 -14.806 -6.805 403 H ILE 54 H ILE 54 -7.531 -12.567 -4.181 404 HA ILE 54 HA ILE 54 -7.824 -14.840 -2.272 405 HB ILE 54 HB ILE 54 -6.369 -12.201 -1.935 406 HG12 ILE 54 HG13 ILE 54 -5.183 -14.956 -2.343 407 HG13 ILE 54 HG12 ILE 54 -5.457 -13.835 -3.676 408 HG21 ILE 54 HG21 ILE 54 -5.282 -13.706 -0.074 409 HG22 ILE 54 HG22 ILE 54 -6.776 -14.632 -0.218 410 HG23 ILE 54 HG23 ILE 54 -6.835 -12.929 0.236 411 HD11 ILE 54 HD11 ILE 54 -3.141 -13.678 -2.779 412 HD12 ILE 54 HD12 ILE 54 -3.805 -13.216 -1.211 413 HD13 ILE 54 HD13 ILE 54 -4.031 -12.165 -2.609 414 H ALA 55 H ALA 55 -9.122 -14.581 -0.424 415 HA ALA 55 HA ALA 55 -11.399 -12.884 -0.643 416 HB1 ALA 55 HB1 ALA 55 -10.395 -14.870 1.208 417 HB2 ALA 55 HB2 ALA 55 -12.060 -14.371 0.915 418 HB3 ALA 55 HB3 ALA 55 -11.074 -13.502 2.091 419 H ALA 56 H ALA 56 -11.964 -11.009 0.599 420 HA ALA 56 HA ALA 56 -9.969 -9.017 0.792 421 HB1 ALA 56 HB1 ALA 56 -11.628 -7.676 1.939 422 HB2 ALA 56 HB2 ALA 56 -12.539 -9.116 2.397 423 HB3 ALA 56 HB3 ALA 56 -12.456 -8.628 0.704 424 H ASP 57 H ASP 57 -11.003 -11.430 3.119 425 HA ASP 57 HA ASP 57 -10.202 -11.941 5.262 426 HB2 ASP 57 HB3 ASP 57 -7.773 -10.530 4.139 427 HB3 ASP 57 HB2 ASP 57 -7.779 -11.469 5.629 428 H ASP 58 H ASP 58 -11.844 -9.716 5.206 429 HA ASP 58 HA ASP 58 -10.504 -7.546 6.684 430 HB2 ASP 58 HB3 ASP 58 -12.670 -6.417 6.569 431 HB3 ASP 58 HB2 ASP 58 -12.247 -7.040 4.976 432 H VAL 59 H VAL 59 -11.222 -10.467 7.659 433 HA VAL 59 HA VAL 59 -13.087 -10.323 9.758 434 HB VAL 59 HB VAL 59 -10.510 -11.878 9.537 435 HG11 VAL 59 HG11 VAL 59 -10.852 -11.937 11.842 436 HG12 VAL 59 HG12 VAL 59 -11.808 -13.321 11.316 437 HG13 VAL 59 HG13 VAL 59 -12.602 -11.791 11.685 438 HG21 VAL 59 HG21 VAL 59 -12.603 -12.203 7.987 439 HG22 VAL 59 HG22 VAL 59 -13.308 -12.970 9.411 440 HG23 VAL 59 HG23 VAL 59 -11.832 -13.620 8.698 441 H GLU 60 H GLU 60 -9.643 -9.447 9.766 442 HA GLU 60 HA GLU 60 -10.120 -8.050 12.372 443 HB2 GLU 60 HB3 GLU 60 -8.594 -10.016 12.567 444 HB3 GLU 60 HB2 GLU 60 -7.517 -9.255 11.401 445 HG2 GLU 60 HG3 GLU 60 -7.319 -7.297 12.899 446 HG3 GLU 60 HG2 GLU 60 -8.330 -8.120 14.078 447 H LEU 61 H LEU 61 -9.546 -5.907 12.441 448 HA LEU 61 HA LEU 61 -8.407 -4.754 9.943 449 HB2 LEU 61 HB3 LEU 61 -9.811 -3.288 12.190 450 HB3 LEU 61 HB2 LEU 61 -9.463 -2.683 10.577 451 HG LEU 61 HG LEU 61 -11.387 -4.883 11.321 452 HD11 LEU 61 HD11 LEU 61 -12.000 -2.470 9.650 453 HD12 LEU 61 HD12 LEU 61 -11.919 -2.306 11.403 454 HD13 LEU 61 HD13 LEU 61 -13.077 -3.419 10.674 455 HD21 LEU 61 HD21 LEU 61 -11.815 -4.795 8.759 456 HD22 LEU 61 HD22 LEU 61 -10.405 -5.687 9.333 457 HD23 LEU 61 HD23 LEU 61 -10.212 -4.065 8.669 458 H SER 62 H SER 62 -6.492 -3.534 10.054 459 HA SER 62 HA SER 62 -5.269 -3.241 12.761 460 HB2 SER 62 HB3 SER 62 -3.897 -4.923 12.038 461 HB3 SER 62 HB2 SER 62 -4.217 -4.586 10.341 462 HG SER 62 HG SER 62 -2.484 -3.245 12.129 463 HA PRO 63 HA PRO 63 -5.444 0.860 10.570 464 HB2 PRO 63 HB3 PRO 63 -5.459 1.758 13.389 465 HB3 PRO 63 HB2 PRO 63 -6.538 2.208 12.060 466 HG2 PRO 63 HG3 PRO 63 -7.314 0.611 14.075 467 HG3 PRO 63 HG2 PRO 63 -7.947 0.455 12.429 468 HD2 PRO 63 HD3 PRO 63 -5.980 -1.271 13.858 469 HD3 PRO 63 HD2 PRO 63 -7.164 -1.704 12.607 470 H GLU 64 H GLU 64 -3.458 -0.460 13.127 471 HA GLU 64 HA GLU 64 -1.469 1.611 13.198 472 HB2 GLU 64 HB3 GLU 64 -1.294 -1.321 13.897 473 HB3 GLU 64 HB2 GLU 64 -0.053 -0.134 14.274 474 HG2 GLU 64 HG3 GLU 64 -1.722 1.162 15.564 475 HG3 GLU 64 HG2 GLU 64 -2.914 -0.090 15.239 476 H HIS 65 H HIS 65 -2.070 -1.019 11.003 477 HA HIS 65 HA HIS 65 0.588 -1.273 9.945 478 HB2 HIS 65 HB3 HIS 65 -2.058 -2.297 9.351 479 HB3 HIS 65 HB2 HIS 65 -1.203 -1.877 7.869 480 HD1 HIS 65 HD1 HIS 65 0.491 -3.535 7.064 481 HD2 HIS 65 HD2 HIS 65 -0.405 -4.078 11.102 482 HE1 HIS 65 HE1 HIS 65 1.721 -5.627 7.796 483 HE2 HIS 65 HE2 HIS 65 1.184 -5.965 10.253 484 H PHE 66 H PHE 66 -1.986 1.036 9.329 485 HA PHE 66 HA PHE 66 -0.779 1.971 6.834 486 HB2 PHE 66 HB3 PHE 66 -2.975 3.106 8.582 487 HB3 PHE 66 HB2 PHE 66 -2.452 3.843 7.066 488 HD1 PHE 66 HD1 PHE 66 -2.321 2.201 4.999 489 HD2 PHE 66 HD2 PHE 66 -4.677 1.506 8.521 490 HE1 PHE 66 HE1 PHE 66 -3.751 0.621 3.730 491 HE2 PHE 66 HE2 PHE 66 -6.107 -0.074 7.250 492 HZ PHE 66 HZ PHE 66 -5.642 -0.519 4.860 493 H ARG 67 H ARG 67 0.116 2.317 10.028 494 HA ARG 67 HA ARG 67 0.774 5.084 10.206 495 HB2 ARG 67 HB3 ARG 67 2.208 2.696 11.410 496 HB3 ARG 67 HB2 ARG 67 2.437 4.371 11.903 497 HG2 ARG 67 HG3 ARG 67 -0.281 3.077 11.918 498 HG3 ARG 67 HG2 ARG 67 0.802 2.967 13.303 499 HD2 ARG 67 HD3 ARG 67 0.953 5.515 13.218 500 HD3 ARG 67 HD2 ARG 67 -0.389 5.468 12.074 501 HE ARG 67 HE ARG 67 -0.557 4.896 14.946 502 HH11 ARG 67 HH11 ARG 67 -2.659 4.566 15.712 503 HH12 ARG 67 HH12 ARG 67 -3.949 4.325 14.581 504 HH21 ARG 67 HH21 ARG 67 -1.910 4.596 11.790 505 HH22 ARG 67 HH22 ARG 67 -3.525 4.343 12.361 506 H SER 68 H SER 68 2.500 2.368 8.715 507 HA SER 68 HA SER 68 4.249 4.378 7.383 508 HB2 SER 68 HB3 SER 68 6.243 3.058 7.810 509 HB3 SER 68 HB2 SER 68 5.465 3.406 9.350 510 HG SER 68 HG SER 68 5.941 1.029 8.145 511 H ILE 69 H ILE 69 5.028 3.682 5.314 512 HA ILE 69 HA ILE 69 3.268 1.958 3.863 513 HB ILE 69 HB ILE 69 6.045 2.933 3.133 514 HG12 ILE 69 HG13 ILE 69 3.338 4.097 2.464 515 HG13 ILE 69 HG12 ILE 69 4.395 4.719 3.722 516 HG21 ILE 69 HG21 ILE 69 3.741 1.980 1.431 517 HG22 ILE 69 HG22 ILE 69 5.218 1.068 1.744 518 HG23 ILE 69 HG23 ILE 69 5.286 2.577 0.834 519 HD11 ILE 69 HD11 ILE 69 5.158 4.469 0.803 520 HD12 ILE 69 HD12 ILE 69 6.147 5.174 2.081 521 HD13 ILE 69 HD13 ILE 69 4.652 5.966 1.583 522 H ARG 70 H ARG 70 6.454 1.462 5.331 523 HA ARG 70 HA ARG 70 7.039 -1.067 4.169 524 HB2 ARG 70 HB3 ARG 70 8.663 0.294 5.478 525 HB3 ARG 70 HB2 ARG 70 7.770 -0.102 6.948 526 HG2 ARG 70 HG3 ARG 70 8.195 -2.491 6.593 527 HG3 ARG 70 HG2 ARG 70 9.037 -2.132 5.086 528 HD2 ARG 70 HD3 ARG 70 10.721 -2.421 6.784 529 HD3 ARG 70 HD2 ARG 70 10.631 -0.697 6.429 530 HE ARG 70 HE ARG 70 8.857 -1.297 8.591 531 HH11 ARG 70 HH11 ARG 70 9.518 -0.766 10.686 532 HH12 ARG 70 HH12 ARG 70 11.199 -0.506 11.008 533 HH21 ARG 70 HH21 ARG 70 12.193 -1.109 7.742 534 HH22 ARG 70 HH22 ARG 70 12.713 -0.700 9.342 535 H SER 71 H SER 71 5.121 -0.233 7.049 536 HA SER 71 HA SER 71 4.784 -2.852 8.066 537 HB2 SER 71 HB3 SER 71 2.741 -0.615 8.060 538 HB3 SER 71 HB2 SER 71 2.784 -1.985 9.160 539 HG SER 71 HG SER 71 3.888 -0.557 10.295 540 H ILE 72 H ILE 72 2.978 -1.121 5.532 541 HA ILE 72 HA ILE 72 1.000 -3.153 5.125 542 HB ILE 72 HB ILE 72 2.102 -1.235 3.062 543 HG12 ILE 72 HG13 ILE 72 1.572 0.134 4.944 544 HG13 ILE 72 HG12 ILE 72 0.181 0.238 3.865 545 HG21 ILE 72 HG21 ILE 72 0.067 -3.201 3.030 546 HG22 ILE 72 HG22 ILE 72 0.450 -2.026 1.772 547 HG23 ILE 72 HG23 ILE 72 -0.731 -1.630 3.020 548 HD11 ILE 72 HD11 ILE 72 -0.778 -1.732 5.210 549 HD12 ILE 72 HD12 ILE 72 -0.763 -0.155 5.996 550 HD13 ILE 72 HD13 ILE 72 0.461 -1.356 6.403 551 H ASP 73 H ASP 73 4.214 -2.587 3.733 552 HA ASP 73 HA ASP 73 4.144 -4.556 1.699 553 HB2 ASP 73 HB3 ASP 73 5.977 -2.855 2.098 554 HB3 ASP 73 HB2 ASP 73 6.555 -3.887 3.407 555 H ALA 74 H ALA 74 4.845 -4.860 5.168 556 HA ALA 74 HA ALA 74 5.686 -7.590 5.099 557 HB1 ALA 74 HB1 ALA 74 5.816 -7.365 7.355 558 HB2 ALA 74 HB2 ALA 74 4.147 -6.810 7.480 559 HB3 ALA 74 HB3 ALA 74 5.426 -5.671 7.062 560 H PHE 75 H PHE 75 2.478 -6.106 5.457 561 HA PHE 75 HA PHE 75 1.042 -8.544 5.880 562 HB2 PHE 75 HB3 PHE 75 0.102 -6.267 6.274 563 HB3 PHE 75 HB2 PHE 75 0.059 -6.024 4.529 564 HD1 PHE 75 HD1 PHE 75 -1.321 -8.017 7.331 565 HD2 PHE 75 HD2 PHE 75 -1.603 -7.084 3.147 566 HE1 PHE 75 HE1 PHE 75 -3.501 -9.193 7.215 567 HE2 PHE 75 HE2 PHE 75 -3.783 -8.259 3.032 568 HZ PHE 75 HZ PHE 75 -4.732 -9.314 5.066 569 H VAL 76 H VAL 76 1.741 -6.708 2.901 570 HA VAL 76 HA VAL 76 0.399 -8.505 1.132 571 HB VAL 76 HB VAL 76 2.683 -6.562 0.709 572 HG11 VAL 76 HG11 VAL 76 2.877 -8.150 -1.052 573 HG12 VAL 76 HG12 VAL 76 1.968 -6.800 -1.732 574 HG13 VAL 76 HG13 VAL 76 1.128 -8.269 -1.236 575 HG21 VAL 76 HG21 VAL 76 0.238 -5.870 1.361 576 HG22 VAL 76 HG22 VAL 76 -0.142 -6.315 -0.302 577 HG23 VAL 76 HG23 VAL 76 1.033 -5.041 0.022 578 H VAL 77 H VAL 77 3.772 -8.344 2.269 579 HA VAL 77 HA VAL 77 4.798 -10.428 0.631 580 HB VAL 77 HB VAL 77 5.593 -9.439 3.379 581 HG11 VAL 77 HG11 VAL 77 7.818 -10.601 2.567 582 HG12 VAL 77 HG12 VAL 77 6.708 -11.590 1.620 583 HG13 VAL 77 HG13 VAL 77 6.568 -11.545 3.377 584 HG21 VAL 77 HG21 VAL 77 7.275 -9.073 0.957 585 HG22 VAL 77 HG22 VAL 77 6.953 -7.955 2.281 586 HG23 VAL 77 HG23 VAL 77 5.766 -8.160 0.994 587 H GLY 78 H GLY 78 3.248 -10.494 3.829 588 HA2 GLY 78 HA3 GLY 78 3.650 -13.238 4.412 589 HA3 GLY 78 HA2 GLY 78 2.300 -12.279 5.016 590 H ALA 79 H ALA 79 1.216 -11.657 2.376 591 HA ALA 79 HA ALA 79 -0.103 -14.259 1.897 592 HB1 ALA 79 HB1 ALA 79 -1.079 -11.689 2.034 593 HB2 ALA 79 HB2 ALA 79 -1.930 -13.052 1.309 594 HB3 ALA 79 HB3 ALA 79 -0.986 -11.961 0.295 595 H THR 80 H THR 80 1.472 -11.694 -0.023 596 HA THR 80 HA THR 80 2.420 -13.793 -1.889 597 HB THR 80 HB THR 80 0.215 -12.834 -2.727 598 HG1 THR 80 HG1 THR 80 1.142 -13.528 -4.460 599 HG21 THR 80 HG21 THR 80 1.318 -10.426 -1.990 600 HG22 THR 80 HG22 THR 80 -0.051 -10.614 -3.087 601 HG23 THR 80 HG23 THR 80 1.578 -10.431 -3.735 602 H THR 81 H THR 81 4.274 -13.099 -3.131 603 HA THR 81 HA THR 81 5.453 -10.501 -2.268 604 HB THR 81 HB THR 81 6.642 -12.011 -0.917 605 HG1 THR 81 HG1 THR 81 8.221 -10.934 -1.900 606 HG21 THR 81 HG21 THR 81 7.452 -14.199 -1.732 607 HG22 THR 81 HG22 THR 81 6.722 -13.877 -3.305 608 HG23 THR 81 HG23 THR 81 5.700 -14.066 -1.881 609 HA PRO 82 HA PRO 82 5.763 -10.910 -6.836 610 HB2 PRO 82 HB3 PRO 82 4.951 -8.390 -7.444 611 HB3 PRO 82 HB2 PRO 82 3.812 -9.704 -7.090 612 HG2 PRO 82 HG3 PRO 82 4.645 -7.419 -5.409 613 HG3 PRO 82 HG2 PRO 82 3.102 -8.284 -5.465 614 HD2 PRO 82 HD3 PRO 82 5.128 -8.641 -3.539 615 HD3 PRO 82 HD2 PRO 82 3.743 -9.717 -3.810 616 HA PRO 83 HA PRO 83 9.737 -9.075 -7.430 617 HB2 PRO 83 HB3 PRO 83 9.495 -8.116 -10.030 618 HB3 PRO 83 HB2 PRO 83 9.869 -9.793 -9.593 619 HG2 PRO 83 HG3 PRO 83 7.292 -8.584 -10.429 620 HG3 PRO 83 HG2 PRO 83 7.951 -10.193 -10.766 621 HD2 PRO 83 HD3 PRO 83 6.001 -9.781 -8.914 622 HD3 PRO 83 HD2 PRO 83 7.215 -11.068 -8.748 623 H VAL 84 H VAL 84 10.821 -7.038 -7.417 624 HA VAL 84 HA VAL 84 9.043 -4.635 -7.565 625 HB VAL 84 HB VAL 84 9.548 -5.243 -5.207 626 HG11 VAL 84 HG11 VAL 84 12.401 -4.479 -5.564 627 HG12 VAL 84 HG12 VAL 84 11.945 -6.085 -6.129 628 HG13 VAL 84 HG13 VAL 84 11.679 -5.634 -4.446 629 HG21 VAL 84 HG21 VAL 84 9.453 -3.014 -4.886 630 HG22 VAL 84 HG22 VAL 84 10.049 -2.739 -6.523 631 HG23 VAL 84 HG23 VAL 84 11.188 -2.912 -5.188 632 H GLU 85 H GLU 85 9.939 -2.851 -8.575 633 HA GLU 85 HA GLU 85 12.730 -3.153 -9.596 634 HB2 GLU 85 HB3 GLU 85 10.371 -1.802 -10.940 635 HB3 GLU 85 HB2 GLU 85 12.008 -1.888 -11.590 636 HG2 GLU 85 HG3 GLU 85 11.857 -4.374 -11.561 637 HG3 GLU 85 HG2 GLU 85 10.188 -4.243 -11.005 638 H ALA 86 H ALA 86 13.975 -1.185 -9.690 639 HA ALA 86 HA ALA 86 13.492 0.635 -7.527 640 HB1 ALA 86 HB1 ALA 86 15.496 1.661 -8.147 641 HB2 ALA 86 HB2 ALA 86 15.223 1.381 -9.867 642 HB3 ALA 86 HB3 ALA 86 15.707 0.046 -8.822 643 H LYS 87 H LYS 87 12.612 2.719 -7.531 644 HA LYS 87 HA LYS 87 10.579 3.330 -9.419 645 HB2 LYS 87 HB3 LYS 87 12.097 5.170 -7.543 646 HB3 LYS 87 HB2 LYS 87 10.619 5.610 -8.399 647 HG2 LYS 87 HG3 LYS 87 9.459 3.689 -7.303 648 HG3 LYS 87 HG2 LYS 87 10.926 3.373 -6.377 649 HD2 LYS 87 HD3 LYS 87 10.802 5.700 -5.469 650 HD3 LYS 87 HD2 LYS 87 9.263 5.907 -6.307 651 HE2 LYS 87 HE3 LYS 87 8.672 5.259 -4.097 652 HE3 LYS 87 HE2 LYS 87 8.487 3.796 -5.064 653 HZ1 LYS 87 HZ1 LYS 87 9.797 3.708 -2.853 654 HZ2 LYS 87 HZ2 LYS 87 11.064 4.375 -3.768 655 HZ3 LYS 87 HZ3 LYS 87 10.393 2.876 -4.206 656 H LEU 88 H LEU 88 13.983 4.289 -9.272 657 HA LEU 88 HA LEU 88 13.632 5.780 -11.831 658 HB2 LEU 88 HB3 LEU 88 14.749 6.956 -9.921 659 HB3 LEU 88 HB2 LEU 88 16.020 5.735 -9.963 660 HG LEU 88 HG LEU 88 16.422 6.336 -12.374 661 HD11 LEU 88 HD11 LEU 88 14.773 7.530 -13.362 662 HD12 LEU 88 HD12 LEU 88 15.431 8.927 -12.513 663 HD13 LEU 88 HD13 LEU 88 14.092 8.020 -11.811 664 HD21 LEU 88 HD21 LEU 88 16.702 8.534 -10.302 665 HD22 LEU 88 HD22 LEU 88 17.568 8.492 -11.837 666 HD23 LEU 88 HD23 LEU 88 17.862 7.246 -10.623 667 H GLN 89 H GLN 89 14.424 4.893 -13.690 668 HA GLN 89 HA GLN 89 15.443 2.216 -13.739 669 HB2 GLN 89 HB3 GLN 89 15.554 4.394 -15.847 670 HB3 GLN 89 HB2 GLN 89 15.928 2.695 -16.138 671 HG2 GLN 89 HG3 GLN 89 13.656 2.058 -15.454 672 HG3 GLN 89 HG2 GLN 89 13.275 3.746 -15.113 673 HE21 GLN 89 HE21 GLN 89 11.765 2.306 -17.049 674 HE22 GLN 89 HE22 GLN 89 12.105 2.939 -18.587 675 H3 7V9 101 1H1 NIA 101 -11.348 4.207 9.245 676 H4 7V9 101 2H1 NIA 101 -9.754 4.353 8.504 677 H5 7V9 101 1HE1 NIA 101 -10.988 1.020 10.752 678 H6 7V9 101 2HE1 NIA 101 -12.190 1.960 9.868 679 H7 7V9 101 3HE1 NIA 101 -11.267 2.711 11.170 680 H8 7V9 101 2HE2 NIA 101 -8.694 1.914 10.843 681 H9 7V9 101 3HE2 NIA 101 -8.878 3.646 10.571 682 H10 7V9 101 1HE2 NIA 101 -8.022 2.654 9.392 683 H11 7V9 101 3H NIA 101 -9.313 1.665 7.533 684 H12 7V9 101 3HO NIA 101 -11.404 0.033 8.079 685 H13 7V9 101 5H NIA 101 -7.539 0.991 9.103 686 H14 7V9 101 1H6 NIA 101 -6.197 -0.913 9.356 687 H15 7V9 101 2H6 NIA 101 -7.502 -1.559 10.346 688 H16 7V9 101 1H7 NIA 101 -8.122 -1.571 7.482 689 H17 7V9 101 2H7 NIA 101 -8.262 -2.872 8.661 690 H18 7V9 101 9H NIA 101 -5.658 -1.515 6.316 691 H19 7V9 101 1H10 NIA 101 -7.161 -3.930 5.610 692 H20 7V9 101 2H10 NIA 101 -6.459 -2.776 4.476 693 H21 7V9 101 1H11 NIA 101 -5.441 -5.300 5.090 694 H22 7V9 101 2H11 NIA 101 -4.410 -4.193 5.996 695 H25 7V9 101 5H1 NIA 101 -1.858 -4.605 2.428 696 H26 7V9 101 7H1 NIA 101 -2.100 -4.236 -1.743 697 H27 7V9 101 8H1 NIA 101 -4.469 -4.965 -1.713 698 H28 7V9 101 9H1 NIA 101 -5.612 -5.270 0.480 Start of MODEL 8 1 H1 MET 1 H1 MET 1 12.851 -5.097 4.068 2 H2 MET 1 H2 MET 1 12.840 -3.645 4.950 3 H3 MET 1 H3 MET 1 14.186 -4.054 3.999 4 HA MET 1 HA MET 1 11.496 -3.204 3.110 5 HB2 MET 1 HB3 MET 1 14.327 -2.258 2.574 6 HB3 MET 1 HB2 MET 1 12.896 -1.613 1.768 7 HG2 MET 1 HG3 MET 1 11.952 -1.010 3.990 8 HG3 MET 1 HG2 MET 1 13.438 -1.578 4.750 9 HE1 MET 1 HE1 MET 1 13.333 2.285 5.028 10 HE2 MET 1 HE2 MET 1 14.215 0.992 5.839 11 HE3 MET 1 HE3 MET 1 12.491 0.811 5.524 12 H GLN 2 H GLN 2 11.802 -5.812 2.573 13 HA GLN 2 HA GLN 2 13.322 -6.593 0.324 14 HB2 GLN 2 HB3 GLN 2 11.947 -8.100 1.823 15 HB3 GLN 2 HB2 GLN 2 10.515 -7.545 0.956 16 HG2 GLN 2 HG3 GLN 2 11.460 -8.360 -1.160 17 HG3 GLN 2 HG2 GLN 2 12.915 -8.890 -0.317 18 HE21 GLN 2 HE21 GLN 2 11.573 -10.885 -1.642 19 HE22 GLN 2 HE22 GLN 2 10.721 -11.873 -0.556 20 H HIS 3 H HIS 3 10.162 -4.996 0.506 21 HA HIS 3 HA HIS 3 10.518 -4.026 -2.250 22 HB2 HIS 3 HB3 HIS 3 8.237 -5.840 -1.431 23 HB3 HIS 3 HB2 HIS 3 8.165 -4.793 -2.848 24 HD1 HIS 3 HD1 HIS 3 9.335 -8.071 -1.755 25 HD2 HIS 3 HD2 HIS 3 10.381 -5.378 -4.765 26 HE1 HIS 3 HE1 HIS 3 10.712 -9.374 -3.438 27 HE2 HIS 3 HE2 HIS 3 11.353 -7.745 -5.274 28 H ALA 4 H ALA 4 10.332 -2.935 0.514 29 HA ALA 4 HA ALA 4 7.805 -1.724 0.993 30 HB1 ALA 4 HB1 ALA 4 9.196 0.013 2.243 31 HB2 ALA 4 HB2 ALA 4 10.620 -0.876 1.704 32 HB3 ALA 4 HB3 ALA 4 9.432 -1.661 2.743 33 H SER 5 H SER 5 10.473 -0.788 -1.124 34 HA SER 5 HA SER 5 9.661 1.878 -1.665 35 HB2 SER 5 HB3 SER 5 10.931 -0.071 -3.609 36 HB3 SER 5 HB2 SER 5 10.961 1.687 -3.722 37 HG SER 5 HG SER 5 11.826 0.611 -1.325 38 H VAL 6 H VAL 6 8.605 -1.196 -3.090 39 HA VAL 6 HA VAL 6 6.965 -0.029 -5.137 40 HB VAL 6 HB VAL 6 6.798 -2.694 -3.720 41 HG11 VAL 6 HG11 VAL 6 4.702 -2.792 -4.589 42 HG12 VAL 6 HG12 VAL 6 5.508 -2.964 -6.148 43 HG13 VAL 6 HG13 VAL 6 4.969 -1.375 -5.605 44 HG21 VAL 6 HG21 VAL 6 8.009 -3.554 -5.537 45 HG22 VAL 6 HG22 VAL 6 8.767 -1.980 -5.293 46 HG23 VAL 6 HG23 VAL 6 7.584 -2.198 -6.581 47 H ILE 7 H ILE 7 6.338 -0.933 -1.772 48 HA ILE 7 HA ILE 7 3.528 -0.497 -1.787 49 HB ILE 7 HB ILE 7 5.514 -0.051 0.461 50 HG12 ILE 7 HG13 ILE 7 3.813 -2.478 -0.193 51 HG13 ILE 7 HG12 ILE 7 5.520 -2.332 -0.614 52 HG21 ILE 7 HG21 ILE 7 3.549 -0.422 1.920 53 HG22 ILE 7 HG22 ILE 7 2.516 -0.534 0.496 54 HG23 ILE 7 HG23 ILE 7 3.315 0.988 0.887 55 HD11 ILE 7 HD11 ILE 7 4.335 -3.061 1.918 56 HD12 ILE 7 HD12 ILE 7 5.337 -1.623 2.111 57 HD13 ILE 7 HD13 ILE 7 6.031 -3.097 1.436 58 H ALA 8 H ALA 8 6.181 1.739 -0.917 59 HA ALA 8 HA ALA 8 4.486 4.016 -0.511 60 HB1 ALA 8 HB1 ALA 8 7.286 4.307 -1.553 61 HB2 ALA 8 HB2 ALA 8 7.034 3.630 0.056 62 HB3 ALA 8 HB3 ALA 8 6.455 5.253 -0.318 63 H GLN 9 H GLN 9 6.297 2.864 -3.333 64 HA GLN 9 HA GLN 9 5.534 5.005 -5.085 65 HB2 GLN 9 HB3 GLN 9 7.410 3.425 -5.536 66 HB3 GLN 9 HB2 GLN 9 6.234 2.134 -5.779 67 HG2 GLN 9 HG3 GLN 9 5.320 4.210 -7.406 68 HG3 GLN 9 HG2 GLN 9 7.069 4.229 -7.618 69 HE21 GLN 9 HE21 GLN 9 4.279 1.957 -7.634 70 HE22 GLN 9 HE22 GLN 9 4.959 0.892 -8.768 71 H PHE 10 H PHE 10 4.174 1.794 -4.482 72 HA PHE 10 HA PHE 10 2.074 1.903 -6.400 73 HB2 PHE 10 HB3 PHE 10 2.837 -0.141 -5.151 74 HB3 PHE 10 HB2 PHE 10 2.051 0.501 -3.711 75 HD1 PHE 10 HD1 PHE 10 1.503 -0.781 -7.138 76 HD2 PHE 10 HD2 PHE 10 -0.344 0.458 -3.465 77 HE1 PHE 10 HE1 PHE 10 -0.649 -1.756 -7.893 78 HE2 PHE 10 HE2 PHE 10 -2.499 -0.514 -4.221 79 HZ PHE 10 HZ PHE 10 -2.647 -1.624 -6.434 80 H VAL 11 H VAL 11 2.120 2.744 -2.947 81 HA VAL 11 HA VAL 11 -0.613 3.710 -2.932 82 HB VAL 11 HB VAL 11 1.675 4.212 -1.008 83 HG11 VAL 11 HG11 VAL 11 0.280 5.667 -0.012 84 HG12 VAL 11 HG12 VAL 11 -0.837 4.333 0.276 85 HG13 VAL 11 HG13 VAL 11 -0.989 5.312 -1.183 86 HG21 VAL 11 HG21 VAL 11 1.343 2.069 -0.400 87 HG22 VAL 11 HG22 VAL 11 0.023 1.908 -1.558 88 HG23 VAL 11 HG23 VAL 11 -0.301 2.502 0.071 89 H VAL 12 H VAL 12 2.572 5.271 -3.153 90 HA VAL 12 HA VAL 12 1.634 7.958 -3.050 91 HB VAL 12 HB VAL 12 4.100 6.762 -4.307 92 HG11 VAL 12 HG11 VAL 12 4.956 9.139 -4.173 93 HG12 VAL 12 HG12 VAL 12 3.295 9.647 -3.863 94 HG13 VAL 12 HG13 VAL 12 3.711 8.875 -5.392 95 HG21 VAL 12 HG21 VAL 12 4.190 8.493 -1.901 96 HG22 VAL 12 HG22 VAL 12 5.088 7.019 -2.257 97 HG23 VAL 12 HG23 VAL 12 3.425 6.919 -1.679 98 H GLU 13 H GLU 13 2.156 5.802 -5.841 99 HA GLU 13 HA GLU 13 1.714 7.708 -7.877 100 HB2 GLU 13 HB3 GLU 13 1.218 4.750 -7.726 101 HB3 GLU 13 HB2 GLU 13 0.830 5.667 -9.175 102 HG2 GLU 13 HG3 GLU 13 3.147 6.485 -9.292 103 HG3 GLU 13 HG2 GLU 13 3.540 5.568 -7.844 104 H GLU 14 H GLU 14 -0.547 6.113 -5.744 105 HA GLU 14 HA GLU 14 -2.923 6.653 -7.255 106 HB2 GLU 14 HB3 GLU 14 -2.796 5.075 -5.319 107 HB3 GLU 14 HB2 GLU 14 -2.636 6.462 -4.244 108 HG2 GLU 14 HG3 GLU 14 -4.804 7.337 -5.100 109 HG3 GLU 14 HG2 GLU 14 -4.973 5.881 -6.082 110 H PHE 15 H PHE 15 -0.959 8.612 -5.091 111 HA PHE 15 HA PHE 15 -2.552 10.975 -5.903 112 HB2 PHE 15 HB3 PHE 15 -2.873 11.762 -3.645 113 HB3 PHE 15 HB2 PHE 15 -3.492 10.113 -3.723 114 HD1 PHE 15 HD1 PHE 15 -1.999 8.208 -2.933 115 HD2 PHE 15 HD2 PHE 15 -1.108 12.338 -2.164 116 HE1 PHE 15 HE1 PHE 15 -0.451 7.535 -1.117 117 HE2 PHE 15 HE2 PHE 15 0.442 11.665 -0.350 118 HZ PHE 15 HZ PHE 15 0.771 9.264 0.175 119 H LEU 16 H LEU 16 0.013 10.302 -6.799 120 HA LEU 16 HA LEU 16 1.991 11.635 -5.140 121 HB2 LEU 16 HB3 LEU 16 3.564 10.795 -6.558 122 HB3 LEU 16 HB2 LEU 16 2.257 9.702 -6.959 123 HG LEU 16 HG LEU 16 2.995 12.215 -8.501 124 HD11 LEU 16 HD11 LEU 16 4.511 10.888 -9.481 125 HD12 LEU 16 HD12 LEU 16 3.175 9.916 -10.099 126 HD13 LEU 16 HD13 LEU 16 3.945 9.485 -8.573 127 HD21 LEU 16 HD21 LEU 16 0.513 10.969 -8.378 128 HD22 LEU 16 HD22 LEU 16 1.268 10.204 -9.769 129 HD23 LEU 16 HD23 LEU 16 1.088 11.957 -9.716 130 HA PRO 17 HA PRO 17 1.094 15.655 -6.931 131 HB2 PRO 17 HB3 PRO 17 3.004 17.092 -5.638 132 HB3 PRO 17 HB2 PRO 17 1.570 16.477 -4.799 133 HG2 PRO 17 HG3 PRO 17 4.344 15.397 -4.840 134 HG3 PRO 17 HG2 PRO 17 3.207 15.540 -3.488 135 HD2 PRO 17 HD3 PRO 17 3.643 13.198 -4.873 136 HD3 PRO 17 HD2 PRO 17 2.137 13.580 -4.011 137 H ASP 18 H ASP 18 3.458 17.450 -7.272 138 HA ASP 18 HA ASP 18 4.387 16.371 -9.819 139 HB2 ASP 18 HB3 ASP 18 5.520 18.526 -10.051 140 HB3 ASP 18 HB2 ASP 18 3.865 18.787 -9.510 141 H VAL 19 H VAL 19 5.184 15.333 -6.968 142 HA VAL 19 HA VAL 19 8.146 15.424 -7.399 143 HB VAL 19 HB VAL 19 6.630 14.776 -4.854 144 HG11 VAL 19 HG11 VAL 19 8.727 13.777 -4.622 145 HG12 VAL 19 HG12 VAL 19 9.029 15.388 -3.974 146 HG13 VAL 19 HG13 VAL 19 9.527 14.992 -5.619 147 HG21 VAL 19 HG21 VAL 19 6.231 17.055 -5.064 148 HG22 VAL 19 HG22 VAL 19 7.692 17.328 -6.013 149 HG23 VAL 19 HG23 VAL 19 7.804 17.087 -4.270 150 H ALA 20 H ALA 20 9.203 13.489 -7.722 151 HA ALA 20 HA ALA 20 7.642 11.137 -8.317 152 HB1 ALA 20 HB1 ALA 20 10.634 11.470 -7.971 153 HB2 ALA 20 HB2 ALA 20 9.745 11.605 -9.489 154 HB3 ALA 20 HB3 ALA 20 9.845 10.051 -8.661 155 HA PRO 21 HA PRO 21 7.239 9.327 -4.244 156 HB2 PRO 21 HB3 PRO 21 8.070 6.762 -5.494 157 HB3 PRO 21 HB2 PRO 21 6.611 7.141 -4.561 158 HG2 PRO 21 HG3 PRO 21 6.633 6.826 -7.250 159 HG3 PRO 21 HG2 PRO 21 5.469 7.838 -6.387 160 HD2 PRO 21 HD3 PRO 21 7.694 8.655 -8.134 161 HD3 PRO 21 HD2 PRO 21 6.264 9.571 -7.610 162 H ALA 22 H ALA 22 10.045 8.531 -6.240 163 HA ALA 22 HA ALA 22 11.702 7.521 -4.117 164 HB1 ALA 22 HB1 ALA 22 12.087 8.435 -6.921 165 HB2 ALA 22 HB2 ALA 22 12.650 6.960 -6.131 166 HB3 ALA 22 HB3 ALA 22 13.514 8.478 -5.882 167 H ASP 23 H ASP 23 10.758 10.699 -5.087 168 HA ASP 23 HA ASP 23 12.938 11.950 -3.509 169 HB2 ASP 23 HB3 ASP 23 10.802 13.121 -5.313 170 HB3 ASP 23 HB2 ASP 23 11.967 14.091 -4.410 171 H VAL 24 H VAL 24 10.099 10.567 -2.824 172 HA VAL 24 HA VAL 24 9.204 12.680 -0.923 173 HB VAL 24 HB VAL 24 7.846 10.079 -1.703 174 HG11 VAL 24 HG11 VAL 24 5.853 11.324 -0.691 175 HG12 VAL 24 HG12 VAL 24 7.027 12.458 -0.022 176 HG13 VAL 24 HG13 VAL 24 7.072 10.759 0.452 177 HG21 VAL 24 HG21 VAL 24 6.466 11.368 -3.166 178 HG22 VAL 24 HG22 VAL 24 8.120 11.865 -3.520 179 HG23 VAL 24 HG23 VAL 24 7.085 12.890 -2.526 180 H ASP 25 H ASP 25 9.439 12.350 1.274 181 HA ASP 25 HA ASP 25 11.269 10.320 2.163 182 HB2 ASP 25 HB3 ASP 25 9.388 12.112 3.730 183 HB3 ASP 25 HB2 ASP 25 10.659 11.123 4.447 184 H VAL 26 H VAL 26 10.443 8.268 1.657 185 HA VAL 26 HA VAL 26 7.780 7.380 2.134 186 HB VAL 26 HB VAL 26 8.680 5.123 1.968 187 HG11 VAL 26 HG11 VAL 26 8.585 6.394 -0.117 188 HG12 VAL 26 HG12 VAL 26 10.025 5.375 -0.119 189 HG13 VAL 26 HG13 VAL 26 10.167 7.101 0.213 190 HG21 VAL 26 HG21 VAL 26 11.277 6.527 2.610 191 HG22 VAL 26 HG22 VAL 26 11.256 4.951 1.818 192 HG23 VAL 26 HG23 VAL 26 10.552 5.140 3.424 193 H ASP 27 H ASP 27 9.885 8.533 4.388 194 HA ASP 27 HA ASP 27 9.312 6.591 6.512 195 HB2 ASP 27 HB3 ASP 27 10.613 8.089 7.926 196 HB3 ASP 27 HB2 ASP 27 11.471 7.844 6.410 197 H LEU 28 H LEU 28 7.362 8.597 4.985 198 HA LEU 28 HA LEU 28 6.169 10.004 7.278 199 HB2 LEU 28 HB3 LEU 28 6.235 11.012 4.985 200 HB3 LEU 28 HB2 LEU 28 5.146 9.741 4.439 201 HG LEU 28 HG LEU 28 3.530 10.468 6.241 202 HD11 LEU 28 HD11 LEU 28 4.351 11.863 7.814 203 HD12 LEU 28 HD12 LEU 28 4.303 13.134 6.593 204 HD13 LEU 28 HD13 LEU 28 5.784 12.213 6.849 205 HD21 LEU 28 HD21 LEU 28 2.765 12.464 4.979 206 HD22 LEU 28 HD22 LEU 28 3.240 11.155 3.897 207 HD23 LEU 28 HD23 LEU 28 4.322 12.524 4.153 208 H ASP 29 H ASP 29 4.408 9.292 8.409 209 HA ASP 29 HA ASP 29 3.607 6.554 8.179 210 HB2 ASP 29 HB3 ASP 29 2.308 8.895 9.604 211 HB3 ASP 29 HB2 ASP 29 1.793 7.218 9.788 212 H LEU 30 H LEU 30 2.258 5.707 6.674 213 HA LEU 30 HA LEU 30 0.955 7.249 4.697 214 HB2 LEU 30 HB3 LEU 30 0.200 4.481 5.695 215 HB3 LEU 30 HB2 LEU 30 -0.324 5.195 4.170 216 HG LEU 30 HG LEU 30 2.546 4.621 4.965 217 HD11 LEU 30 HD11 LEU 30 1.803 3.314 2.576 218 HD12 LEU 30 HD12 LEU 30 0.478 3.038 3.705 219 HD13 LEU 30 HD13 LEU 30 2.120 2.568 4.141 220 HD21 LEU 30 HD21 LEU 30 2.813 6.416 3.532 221 HD22 LEU 30 HD22 LEU 30 1.269 6.136 2.728 222 HD23 LEU 30 HD23 LEU 30 2.663 5.130 2.335 223 H VAL 31 H VAL 31 0.110 6.696 7.972 224 HA VAL 31 HA VAL 31 -2.686 6.762 7.950 225 HB VAL 31 HB VAL 31 -0.716 8.078 9.831 226 HG11 VAL 31 HG11 VAL 31 -2.860 8.049 11.352 227 HG12 VAL 31 HG12 VAL 31 -3.724 8.077 9.815 228 HG13 VAL 31 HG13 VAL 31 -2.616 9.386 10.227 229 HG21 VAL 31 HG21 VAL 31 -2.575 5.792 10.434 230 HG22 VAL 31 HG22 VAL 31 -1.012 6.172 11.154 231 HG23 VAL 31 HG23 VAL 31 -1.091 5.491 9.529 232 H ASP 32 H ASP 32 -0.405 9.454 7.574 233 HA ASP 32 HA ASP 32 -2.286 11.580 7.528 234 HB2 ASP 32 HB3 ASP 32 0.283 11.215 5.947 235 HB3 ASP 32 HB2 ASP 32 -0.616 12.730 6.031 236 H ASN 33 H ASN 33 -1.308 9.233 5.106 237 HA ASN 33 HA ASN 33 -3.052 10.385 3.043 238 HB2 ASN 33 HB3 ASN 33 -1.619 7.723 3.027 239 HB3 ASN 33 HB2 ASN 33 -2.241 8.602 1.633 240 HD21 ASN 33 HD21 ASN 33 -1.316 11.247 2.508 241 HD22 ASN 33 HD22 ASN 33 0.377 11.245 2.380 242 H GLY 34 H GLY 34 -3.941 9.244 5.740 243 HA2 GLY 34 HA3 GLY 34 -5.245 6.836 5.681 244 HA3 GLY 34 HA2 GLY 34 -5.962 8.255 6.438 245 H VAL 35 H VAL 35 -5.850 9.430 3.518 246 HA VAL 35 HA VAL 35 -8.577 9.118 2.896 247 HB VAL 35 HB VAL 35 -6.201 9.633 1.083 248 HG11 VAL 35 HG11 VAL 35 -7.930 8.734 -0.329 249 HG12 VAL 35 HG12 VAL 35 -7.970 10.487 -0.519 250 HG13 VAL 35 HG13 VAL 35 -9.171 9.682 0.491 251 HG21 VAL 35 HG21 VAL 35 -6.989 11.269 2.950 252 HG22 VAL 35 HG22 VAL 35 -8.371 11.562 1.896 253 HG23 VAL 35 HG23 VAL 35 -6.739 11.914 1.328 254 H ILE 36 H ILE 36 -5.790 7.178 1.894 255 HA ILE 36 HA ILE 36 -7.279 5.406 0.170 256 HB ILE 36 HB ILE 36 -4.712 5.856 0.293 257 HG12 ILE 36 HG13 ILE 36 -6.056 3.184 -0.111 258 HG13 ILE 36 HG12 ILE 36 -5.469 4.314 -1.330 259 HG21 ILE 36 HG21 ILE 36 -4.841 3.473 2.140 260 HG22 ILE 36 HG22 ILE 36 -4.779 5.116 2.778 261 HG23 ILE 36 HG23 ILE 36 -3.460 4.509 1.778 262 HD11 ILE 36 HD11 ILE 36 -3.129 3.893 -0.361 263 HD12 ILE 36 HD12 ILE 36 -3.851 2.577 -1.287 264 HD13 ILE 36 HD13 ILE 36 -3.850 2.518 0.475 265 H ASP 37 H ASP 37 -6.773 5.531 3.609 266 HA ASP 37 HA ASP 37 -6.964 2.848 4.348 267 HB2 ASP 37 HB3 ASP 37 -8.092 5.297 5.705 268 HB3 ASP 37 HB2 ASP 37 -8.107 3.702 6.443 269 H SER 38 H SER 38 -9.637 4.956 3.321 270 HA SER 38 HA SER 38 -11.413 2.557 3.576 271 HB2 SER 38 2HB SER 38 -11.832 5.398 4.273 272 HB3 SER 38 1HB SER 38 -13.178 4.606 3.463 273 H LEU 39 H LEU 39 -11.331 5.612 1.688 274 HA LEU 39 HA LEU 39 -12.922 4.574 -0.429 275 HB2 LEU 39 HB3 LEU 39 -12.450 7.003 -0.040 276 HB3 LEU 39 HB2 LEU 39 -10.814 6.729 -0.629 277 HG LEU 39 HG LEU 39 -12.949 5.712 -2.397 278 HD11 LEU 39 HD11 LEU 39 -12.645 8.632 -1.708 279 HD12 LEU 39 HD12 LEU 39 -14.127 7.691 -1.878 280 HD13 LEU 39 HD13 LEU 39 -13.192 8.130 -3.307 281 HD21 LEU 39 HD21 LEU 39 -10.349 5.949 -2.726 282 HD22 LEU 39 HD22 LEU 39 -10.742 7.622 -3.116 283 HD23 LEU 39 HD23 LEU 39 -11.429 6.310 -4.072 284 H GLY 40 H GLY 40 -9.387 4.971 -0.227 285 HA2 GLY 40 HA3 GLY 40 -8.908 3.551 -2.697 286 HA3 GLY 40 HA2 GLY 40 -7.693 3.951 -1.492 287 H LEU 41 H LEU 41 -8.983 2.632 0.720 288 HA LEU 41 HA LEU 41 -7.900 0.025 0.470 289 HB2 LEU 41 HB3 LEU 41 -8.297 0.974 2.653 290 HB3 LEU 41 HB2 LEU 41 -10.030 1.083 2.350 291 HG LEU 41 HG LEU 41 -8.834 -1.611 1.994 292 HD11 LEU 41 HD11 LEU 41 -8.684 -0.113 4.565 293 HD12 LEU 41 HD12 LEU 41 -7.691 -1.445 3.977 294 HD13 LEU 41 HD13 LEU 41 -9.286 -1.766 4.648 295 HD21 LEU 41 HD21 LEU 41 -10.950 -2.320 2.617 296 HD22 LEU 41 HD22 LEU 41 -11.351 -0.721 1.994 297 HD23 LEU 41 HD23 LEU 41 -11.188 -0.975 3.730 298 H LEU 42 H LEU 42 -11.217 1.198 0.009 299 HA LEU 42 HA LEU 42 -12.422 -1.351 -0.408 300 HB2 LEU 42 HB3 LEU 42 -13.091 1.383 -1.521 301 HB3 LEU 42 HB2 LEU 42 -14.109 -0.027 -1.762 302 HG LEU 42 HG LEU 42 -13.244 0.773 1.007 303 HD11 LEU 42 HD11 LEU 42 -15.113 2.174 -0.799 304 HD12 LEU 42 HD12 LEU 42 -14.333 2.748 0.674 305 HD13 LEU 42 HD13 LEU 42 -15.792 1.763 0.776 306 HD21 LEU 42 HD21 LEU 42 -15.941 -0.263 0.474 307 HD22 LEU 42 HD22 LEU 42 -14.743 -0.807 1.647 308 HD23 LEU 42 HD23 LEU 42 -14.657 -1.362 -0.024 309 H LYS 43 H LYS 43 -10.878 0.928 -2.671 310 HA LYS 43 HA LYS 43 -11.296 -0.711 -4.998 311 HB2 LYS 43 HB3 LYS 43 -9.251 1.434 -4.410 312 HB3 LYS 43 HB2 LYS 43 -9.507 0.718 -5.996 313 HG2 LYS 43 HG3 LYS 43 -11.898 1.439 -5.889 314 HG3 LYS 43 HG2 LYS 43 -11.544 2.260 -4.367 315 HD2 LYS 43 HD3 LYS 43 -9.804 3.608 -5.542 316 HD3 LYS 43 HD2 LYS 43 -10.275 2.842 -7.060 317 HE2 LYS 43 HE3 LYS 43 -12.547 3.940 -5.554 318 HE3 LYS 43 HE2 LYS 43 -11.377 5.163 -6.050 319 HZ1 LYS 43 HZ1 LYS 43 -11.575 4.507 -8.296 320 HZ2 LYS 43 HZ2 LYS 43 -13.162 4.652 -7.704 321 HZ3 LYS 43 HZ3 LYS 43 -12.462 3.117 -7.899 322 H VAL 44 H VAL 44 -8.673 -0.441 -2.637 323 HA VAL 44 HA VAL 44 -6.817 -2.158 -3.980 324 HB VAL 44 HB VAL 44 -7.160 -1.497 -1.047 325 HG11 VAL 44 HG11 VAL 44 -5.063 -3.088 -2.525 326 HG12 VAL 44 HG12 VAL 44 -5.953 -3.541 -1.072 327 HG13 VAL 44 HG13 VAL 44 -4.711 -2.291 -0.990 328 HG21 VAL 44 HG21 VAL 44 -6.112 0.422 -1.591 329 HG22 VAL 44 HG22 VAL 44 -6.153 -0.053 -3.289 330 HG23 VAL 44 HG23 VAL 44 -4.774 -0.494 -2.284 331 H ILE 45 H ILE 45 -9.395 -2.840 -1.624 332 HA ILE 45 HA ILE 45 -8.754 -5.553 -1.136 333 HB ILE 45 HB ILE 45 -11.126 -3.818 -0.871 334 HG12 ILE 45 HG13 ILE 45 -11.152 -4.733 1.340 335 HG13 ILE 45 HG12 ILE 45 -10.171 -6.114 0.854 336 HG21 ILE 45 HG21 ILE 45 -12.262 -5.528 -2.107 337 HG22 ILE 45 HG22 ILE 45 -12.596 -5.839 -0.405 338 HG23 ILE 45 HG23 ILE 45 -11.397 -6.809 -1.255 339 HD11 ILE 45 HD11 ILE 45 -9.163 -3.872 2.035 340 HD12 ILE 45 HD12 ILE 45 -8.949 -3.474 0.333 341 HD13 ILE 45 HD13 ILE 45 -8.225 -4.938 0.992 342 H ALA 46 H ALA 46 -10.957 -4.193 -3.619 343 HA ALA 46 HA ALA 46 -11.477 -6.747 -4.842 344 HB1 ALA 46 HB1 ALA 46 -13.060 -5.312 -5.630 345 HB2 ALA 46 HB2 ALA 46 -11.861 -4.953 -6.874 346 HB3 ALA 46 HB3 ALA 46 -12.007 -3.906 -5.461 347 H TRP 47 H TRP 47 -9.072 -4.207 -5.461 348 HA TRP 47 HA TRP 47 -7.993 -5.449 -7.832 349 HB2 TRP 47 HB3 TRP 47 -7.545 -3.119 -7.517 350 HB3 TRP 47 HB2 TRP 47 -6.891 -3.397 -5.902 351 HD1 TRP 47 HD1 TRP 47 -6.073 -4.008 -9.602 352 HE1 TRP 47 HE1 TRP 47 -3.532 -4.378 -9.825 353 HE3 TRP 47 HE3 TRP 47 -4.743 -4.052 -4.671 354 HZ2 TRP 47 HZ2 TRP 47 -1.239 -4.649 -8.143 355 HZ3 TRP 47 HZ3 TRP 47 -2.375 -4.368 -4.012 356 HH2 TRP 47 HH2 TRP 47 -0.624 -4.666 -5.739 357 H LEU 48 H LEU 48 -7.081 -5.520 -4.403 358 HA LEU 48 HA LEU 48 -4.693 -7.016 -4.710 359 HB2 LEU 48 HB3 LEU 48 -5.479 -5.828 -2.620 360 HB3 LEU 48 HB2 LEU 48 -6.605 -7.153 -2.369 361 HG LEU 48 HG LEU 48 -4.483 -8.654 -2.629 362 HD11 LEU 48 HD11 LEU 48 -2.441 -7.656 -2.488 363 HD12 LEU 48 HD12 LEU 48 -3.019 -6.427 -1.362 364 HD13 LEU 48 HD13 LEU 48 -3.305 -6.242 -3.090 365 HD21 LEU 48 HD21 LEU 48 -5.562 -7.118 -0.338 366 HD22 LEU 48 HD22 LEU 48 -3.971 -7.837 -0.082 367 HD23 LEU 48 HD23 LEU 48 -5.341 -8.858 -0.518 368 H GLU 49 H GLU 49 -8.030 -8.139 -4.071 369 HA GLU 49 HA GLU 49 -7.338 -10.926 -4.062 370 HB2 GLU 49 HB3 GLU 49 -9.467 -10.173 -3.142 371 HB3 GLU 49 HB2 GLU 49 -9.957 -9.533 -4.702 372 HG2 GLU 49 HG3 GLU 49 -9.879 -11.814 -5.647 373 HG3 GLU 49 HG2 GLU 49 -9.431 -12.443 -4.069 374 H ASP 50 H ASP 50 -8.462 -8.725 -6.608 375 HA ASP 50 HA ASP 50 -8.524 -10.685 -8.701 376 HB2 ASP 50 HB3 ASP 50 -9.604 -8.413 -8.757 377 HB3 ASP 50 HB2 ASP 50 -7.994 -7.725 -8.961 378 H ARG 51 H ARG 51 -6.021 -8.469 -7.553 379 HA ARG 51 HA ARG 51 -4.133 -8.930 -9.621 380 HB2 ARG 51 HB3 ARG 51 -4.046 -7.077 -7.941 381 HB3 ARG 51 HB2 ARG 51 -3.557 -8.255 -6.725 382 HG2 ARG 51 HG3 ARG 51 -1.505 -7.376 -7.458 383 HG3 ARG 51 HG2 ARG 51 -1.655 -8.855 -8.402 384 HD2 ARG 51 HD3 ARG 51 -2.478 -7.598 -10.325 385 HD3 ARG 51 HD2 ARG 51 -2.487 -6.110 -9.382 386 HE ARG 51 HE ARG 51 -0.186 -5.928 -9.828 387 HH11 ARG 51 HH11 ARG 51 1.823 -6.708 -10.502 388 HH12 ARG 51 HH12 ARG 51 2.011 -8.396 -10.846 389 HH21 ARG 51 HH21 ARG 51 -1.282 -9.187 -10.099 390 HH22 ARG 51 HH22 ARG 51 0.254 -9.799 -10.618 391 H PHE 52 H PHE 52 -4.461 -10.590 -6.446 392 HA PHE 52 HA PHE 52 -2.655 -12.699 -7.551 393 HB2 PHE 52 HB3 PHE 52 -2.745 -11.423 -4.830 394 HB3 PHE 52 HB2 PHE 52 -2.037 -13.017 -5.068 395 HD1 PHE 52 HD1 PHE 52 -1.665 -9.431 -5.647 396 HD2 PHE 52 HD2 PHE 52 -0.085 -13.314 -6.587 397 HE1 PHE 52 HE1 PHE 52 0.408 -8.380 -6.513 398 HE2 PHE 52 HE2 PHE 52 1.987 -12.263 -7.451 399 HZ PHE 52 HZ PHE 52 2.234 -9.796 -7.415 400 H GLY 53 H GLY 53 -5.807 -12.192 -6.671 401 HA2 GLY 53 HA3 GLY 53 -7.514 -13.809 -6.335 402 HA3 GLY 53 HA2 GLY 53 -6.272 -15.056 -6.424 403 H ILE 54 H ILE 54 -6.146 -12.320 -4.204 404 HA ILE 54 HA ILE 54 -6.100 -14.254 -1.952 405 HB ILE 54 HB ILE 54 -5.519 -11.276 -1.981 406 HG12 ILE 54 HG13 ILE 54 -3.571 -13.600 -1.946 407 HG13 ILE 54 HG12 ILE 54 -3.993 -12.703 -3.405 408 HG21 ILE 54 HG21 ILE 54 -4.202 -12.789 0.077 409 HG22 ILE 54 HG22 ILE 54 -5.933 -13.121 0.138 410 HG23 ILE 54 HG23 ILE 54 -5.348 -11.461 0.253 411 HD11 ILE 54 HD11 ILE 54 -2.826 -11.473 -0.891 412 HD12 ILE 54 HD12 ILE 54 -3.189 -10.624 -2.393 413 HD13 ILE 54 HD13 ILE 54 -1.913 -11.839 -2.354 414 H ALA 55 H ALA 55 -7.745 -14.333 -0.443 415 HA ALA 55 HA ALA 55 -10.295 -13.231 -1.063 416 HB1 ALA 55 HB1 ALA 55 -10.906 -14.701 0.525 417 HB2 ALA 55 HB2 ALA 55 -10.099 -13.730 1.757 418 HB3 ALA 55 HB3 ALA 55 -9.206 -14.984 0.895 419 H ALA 56 H ALA 56 -11.338 -11.387 -0.363 420 HA ALA 56 HA ALA 56 -9.767 -9.120 0.376 421 HB1 ALA 56 HB1 ALA 56 -11.946 -8.976 -0.809 422 HB2 ALA 56 HB2 ALA 56 -11.916 -7.967 0.639 423 HB3 ALA 56 HB3 ALA 56 -12.760 -9.515 0.660 424 H ASP 57 H ASP 57 -11.705 -11.393 2.267 425 HA ASP 57 HA ASP 57 -11.052 -9.895 4.748 426 HB2 ASP 57 HB3 ASP 57 -12.939 -12.193 4.215 427 HB3 ASP 57 HB2 ASP 57 -12.663 -11.496 5.810 428 H ASP 58 H ASP 58 -9.321 -11.891 3.015 429 HA ASP 58 HA ASP 58 -8.792 -14.191 4.585 430 HB2 ASP 58 HB3 ASP 58 -6.654 -14.300 3.440 431 HB3 ASP 58 HB2 ASP 58 -7.873 -13.752 2.289 432 H VAL 59 H VAL 59 -7.629 -10.871 4.900 433 HA VAL 59 HA VAL 59 -6.481 -11.631 7.554 434 HB VAL 59 HB VAL 59 -4.633 -10.067 7.185 435 HG11 VAL 59 HG11 VAL 59 -4.331 -11.455 4.649 436 HG12 VAL 59 HG12 VAL 59 -5.003 -12.524 5.880 437 HG13 VAL 59 HG13 VAL 59 -3.466 -11.706 6.165 438 HG21 VAL 59 HG21 VAL 59 -4.494 -9.362 4.603 439 HG22 VAL 59 HG22 VAL 59 -5.327 -8.360 5.791 440 HG23 VAL 59 HG23 VAL 59 -6.250 -9.443 4.751 441 H GLU 60 H GLU 60 -6.455 -9.809 9.098 442 HA GLU 60 HA GLU 60 -8.767 -8.010 8.624 443 HB2 GLU 60 HB3 GLU 60 -7.169 -8.562 11.142 444 HB3 GLU 60 HB2 GLU 60 -8.614 -7.563 11.052 445 HG2 GLU 60 HG3 GLU 60 -9.880 -9.522 10.216 446 HG3 GLU 60 HG2 GLU 60 -8.437 -10.509 10.408 447 H LEU 61 H LEU 61 -8.526 -5.794 8.454 448 HA LEU 61 HA LEU 61 -5.726 -4.779 8.435 449 HB2 LEU 61 HB3 LEU 61 -8.222 -3.645 7.142 450 HB3 LEU 61 HB2 LEU 61 -6.606 -2.957 7.017 451 HG LEU 61 HG LEU 61 -5.835 -5.145 6.048 452 HD11 LEU 61 HD11 LEU 61 -8.065 -6.288 4.989 453 HD12 LEU 61 HD12 LEU 61 -8.685 -5.775 6.558 454 HD13 LEU 61 HD13 LEU 61 -7.291 -6.851 6.468 455 HD21 LEU 61 HD21 LEU 61 -6.837 -4.722 3.822 456 HD22 LEU 61 HD22 LEU 61 -6.359 -3.219 4.611 457 HD23 LEU 61 HD23 LEU 61 -8.056 -3.696 4.578 458 H SER 62 H SER 62 -5.158 -3.062 9.748 459 HA SER 62 HA SER 62 -7.310 -1.716 11.295 460 HB2 SER 62 HB3 SER 62 -5.437 -3.608 12.357 461 HB3 SER 62 HB2 SER 62 -5.043 -2.016 13.000 462 HG SER 62 HG SER 62 -7.478 -3.450 13.140 463 HA PRO 63 HA PRO 63 -5.145 1.992 10.331 464 HB2 PRO 63 HB3 PRO 63 -5.231 3.300 12.793 465 HB3 PRO 63 HB2 PRO 63 -6.525 3.307 11.583 466 HG2 PRO 63 HG3 PRO 63 -6.257 1.705 14.062 467 HG3 PRO 63 HG2 PRO 63 -7.708 2.363 13.288 468 HD2 PRO 63 HD3 PRO 63 -7.049 -0.270 13.131 469 HD3 PRO 63 HD2 PRO 63 -7.905 0.576 11.823 470 H GLU 64 H GLU 64 -4.146 0.387 13.322 471 HA GLU 64 HA GLU 64 -1.617 1.726 13.579 472 HB2 GLU 64 HB3 GLU 64 -2.527 -0.981 14.564 473 HB3 GLU 64 HB2 GLU 64 -1.031 -0.199 15.054 474 HG2 GLU 64 HG3 GLU 64 -2.344 1.727 15.888 475 HG3 GLU 64 HG2 GLU 64 -3.824 0.877 15.463 476 H HIS 65 H HIS 65 -2.710 -1.007 11.681 477 HA HIS 65 HA HIS 65 -0.116 -2.100 11.089 478 HB2 HIS 65 HB3 HIS 65 -2.173 -3.381 10.720 479 HB3 HIS 65 HB2 HIS 65 -2.699 -2.215 9.506 480 HD1 HIS 65 HD1 HIS 65 -1.632 -2.344 7.180 481 HD2 HIS 65 HD2 HIS 65 0.050 -5.029 9.892 482 HE1 HIS 65 HE1 HIS 65 -0.151 -3.896 5.829 483 HE2 HIS 65 HE2 HIS 65 0.877 -5.531 7.471 484 H PHE 66 H PHE 66 -1.924 0.594 9.769 485 HA PHE 66 HA PHE 66 0.047 0.838 7.554 486 HB2 PHE 66 HB3 PHE 66 -2.616 2.192 8.047 487 HB3 PHE 66 HB2 PHE 66 -1.550 2.577 6.690 488 HD1 PHE 66 HD1 PHE 66 -1.564 1.249 4.734 489 HD2 PHE 66 HD2 PHE 66 -3.336 -0.256 8.343 490 HE1 PHE 66 HE1 PHE 66 -2.423 -0.718 3.494 491 HE2 PHE 66 HE2 PHE 66 -4.201 -2.220 7.102 492 HZ PHE 66 HZ PHE 66 -3.744 -2.452 4.677 493 H ARG 67 H ARG 67 0.193 1.629 10.591 494 HA ARG 67 HA ARG 67 0.425 4.420 10.853 495 HB2 ARG 67 HB3 ARG 67 0.666 2.782 12.721 496 HB3 ARG 67 HB2 ARG 67 2.240 2.320 12.085 497 HG2 ARG 67 HG3 ARG 67 2.801 3.891 13.728 498 HG3 ARG 67 HG2 ARG 67 2.778 4.869 12.266 499 HD2 ARG 67 HD3 ARG 67 0.471 5.585 12.773 500 HD3 ARG 67 HD2 ARG 67 0.489 4.601 14.233 501 HE ARG 67 HE ARG 67 2.655 6.203 14.631 502 HH11 ARG 67 HH11 ARG 67 2.585 8.290 15.495 503 HH12 ARG 67 HH12 ARG 67 1.148 9.240 15.312 504 HH21 ARG 67 HH21 ARG 67 -0.569 6.789 13.560 505 HH22 ARG 67 HH22 ARG 67 -0.637 8.390 14.217 506 H SER 68 H SER 68 2.605 2.102 9.361 507 HA SER 68 HA SER 68 4.077 4.328 8.102 508 HB2 SER 68 HB3 SER 68 5.283 3.865 10.242 509 HB3 SER 68 HB2 SER 68 5.522 2.203 9.713 510 HG SER 68 HG SER 68 6.680 4.574 8.813 511 H ILE 69 H ILE 69 5.237 3.651 6.201 512 HA ILE 69 HA ILE 69 4.060 1.518 4.742 513 HB ILE 69 HB ILE 69 6.731 2.887 4.316 514 HG12 ILE 69 HG13 ILE 69 4.016 3.479 3.131 515 HG13 ILE 69 HG12 ILE 69 4.754 4.401 4.432 516 HG21 ILE 69 HG21 ILE 69 4.937 1.313 2.468 517 HG22 ILE 69 HG22 ILE 69 6.534 0.825 3.032 518 HG23 ILE 69 HG23 ILE 69 6.362 2.215 1.961 519 HD11 ILE 69 HD11 ILE 69 5.973 5.586 2.961 520 HD12 ILE 69 HD12 ILE 69 5.141 4.749 1.650 521 HD13 ILE 69 HD13 ILE 69 6.651 4.102 2.293 522 H ARG 70 H ARG 70 7.033 1.670 6.671 523 HA ARG 70 HA ARG 70 8.153 -0.812 5.859 524 HB2 ARG 70 HB3 ARG 70 9.339 0.897 7.231 525 HB3 ARG 70 HB2 ARG 70 8.312 0.472 8.601 526 HG2 ARG 70 HG3 ARG 70 9.143 -1.846 8.515 527 HG3 ARG 70 HG2 ARG 70 10.162 -1.434 7.136 528 HD2 ARG 70 HD3 ARG 70 11.545 -1.341 9.112 529 HD3 ARG 70 HD2 ARG 70 11.265 0.318 8.581 530 HE ARG 70 HE ARG 70 9.232 -0.111 10.393 531 HH11 ARG 70 HH11 ARG 70 9.444 0.276 12.609 532 HH12 ARG 70 HH12 ARG 70 11.013 0.218 13.339 533 HH21 ARG 70 HH21 ARG 70 12.652 -0.538 10.378 534 HH22 ARG 70 HH22 ARG 70 12.830 -0.243 12.076 535 H SER 71 H SER 71 5.785 -0.086 8.426 536 HA SER 71 HA SER 71 5.691 -2.692 9.556 537 HB2 SER 71 HB3 SER 71 3.407 -0.719 9.293 538 HB3 SER 71 HB2 SER 71 3.537 -2.023 10.467 539 HG SER 71 HG SER 71 4.454 0.443 10.662 540 H ILE 72 H ILE 72 3.867 -1.273 6.840 541 HA ILE 72 HA ILE 72 2.196 -3.555 6.398 542 HB ILE 72 HB ILE 72 3.121 -1.422 4.453 543 HG12 ILE 72 HG13 ILE 72 0.605 -1.585 6.143 544 HG13 ILE 72 HG12 ILE 72 1.993 -0.562 6.516 545 HG21 ILE 72 HG21 ILE 72 0.515 -2.348 3.894 546 HG22 ILE 72 HG22 ILE 72 1.499 -3.786 4.161 547 HG23 ILE 72 HG23 ILE 72 1.971 -2.610 2.934 548 HD11 ILE 72 HD11 ILE 72 0.041 -0.338 4.242 549 HD12 ILE 72 HD12 ILE 72 1.668 0.318 4.070 550 HD13 ILE 72 HD13 ILE 72 0.607 0.915 5.346 551 H ASP 73 H ASP 73 5.341 -2.578 5.052 552 HA ASP 73 HA ASP 73 5.563 -4.603 3.080 553 HB2 ASP 73 HB3 ASP 73 7.098 -2.613 3.398 554 HB3 ASP 73 HB2 ASP 73 7.854 -3.500 4.722 555 H ALA 74 H ALA 74 6.430 -4.678 6.536 556 HA ALA 74 HA ALA 74 7.636 -7.279 6.445 557 HB1 ALA 74 HB1 ALA 74 8.056 -5.854 8.348 558 HB2 ALA 74 HB2 ALA 74 7.192 -7.278 8.929 559 HB3 ALA 74 HB3 ALA 74 6.332 -5.753 8.712 560 H PHE 75 H PHE 75 4.307 -6.227 7.121 561 HA PHE 75 HA PHE 75 3.287 -8.805 7.791 562 HB2 PHE 75 HB3 PHE 75 2.071 -6.647 8.141 563 HB3 PHE 75 HB2 PHE 75 1.812 -6.565 6.400 564 HD1 PHE 75 HD1 PHE 75 0.193 -7.964 5.296 565 HD2 PHE 75 HD2 PHE 75 1.049 -8.485 9.473 566 HE1 PHE 75 HE1 PHE 75 -1.783 -9.446 5.516 567 HE2 PHE 75 HE2 PHE 75 -0.927 -9.967 9.694 568 HZ PHE 75 HZ PHE 75 -2.343 -10.448 7.715 569 H VAL 76 H VAL 76 3.322 -7.083 4.655 570 HA VAL 76 HA VAL 76 2.173 -9.244 3.174 571 HB VAL 76 HB VAL 76 3.922 -6.911 2.354 572 HG11 VAL 76 HG11 VAL 76 2.800 -7.571 0.058 573 HG12 VAL 76 HG12 VAL 76 2.735 -9.173 0.792 574 HG13 VAL 76 HG13 VAL 76 4.286 -8.362 0.582 575 HG21 VAL 76 HG21 VAL 76 0.989 -7.394 1.800 576 HG22 VAL 76 HG22 VAL 76 1.882 -5.876 1.702 577 HG23 VAL 76 HG23 VAL 76 1.535 -6.595 3.274 578 H VAL 77 H VAL 77 5.584 -8.247 3.674 579 HA VAL 77 HA VAL 77 6.756 -10.285 2.091 580 HB VAL 77 HB VAL 77 7.732 -8.810 4.546 581 HG11 VAL 77 HG11 VAL 77 9.997 -9.706 3.422 582 HG12 VAL 77 HG12 VAL 77 8.931 -11.041 2.985 583 HG13 VAL 77 HG13 VAL 77 9.152 -10.607 4.679 584 HG21 VAL 77 HG21 VAL 77 8.965 -7.491 2.967 585 HG22 VAL 77 HG22 VAL 77 7.331 -7.619 2.317 586 HG23 VAL 77 HG23 VAL 77 8.624 -8.620 1.657 587 H GLY 78 H GLY 78 5.696 -10.281 5.472 588 HA2 GLY 78 HA3 GLY 78 6.770 -12.781 6.248 589 HA3 GLY 78 HA2 GLY 78 5.312 -12.069 6.937 590 H ALA 79 H ALA 79 3.869 -12.015 4.362 591 HA ALA 79 HA ALA 79 3.242 -14.927 4.246 592 HB1 ALA 79 HB1 ALA 79 1.159 -14.117 4.585 593 HB2 ALA 79 HB2 ALA 79 1.218 -13.617 2.894 594 HB3 ALA 79 HB3 ALA 79 1.646 -12.474 4.168 595 H THR 80 H THR 80 3.477 -12.104 2.065 596 HA THR 80 HA THR 80 4.756 -13.815 0.041 597 HB THR 80 HB THR 80 2.223 -14.023 -0.248 598 HG1 THR 80 HG1 THR 80 2.442 -13.578 -2.548 599 HG21 THR 80 HG21 THR 80 2.192 -11.418 -1.641 600 HG22 THR 80 HG22 THR 80 2.232 -11.320 0.120 601 HG23 THR 80 HG23 THR 80 0.934 -12.200 -0.685 602 H THR 81 H THR 81 5.804 -12.555 -1.611 603 HA THR 81 HA THR 81 5.898 -9.625 -1.037 604 HB THR 81 HB THR 81 7.975 -10.429 -0.275 605 HG1 THR 81 HG1 THR 81 9.249 -9.349 -1.589 606 HG21 THR 81 HG21 THR 81 9.312 -12.010 -1.852 607 HG22 THR 81 HG22 THR 81 7.748 -12.321 -2.606 608 HG23 THR 81 HG23 THR 81 7.994 -12.692 -0.900 609 HA PRO 82 HA PRO 82 4.895 -10.103 -5.484 610 HB2 PRO 82 HB3 PRO 82 2.685 -8.584 -5.535 611 HB3 PRO 82 HB2 PRO 82 2.659 -10.227 -4.866 612 HG2 PRO 82 HG3 PRO 82 2.621 -7.617 -3.468 613 HG3 PRO 82 HG2 PRO 82 1.891 -9.162 -3.004 614 HD2 PRO 82 HD3 PRO 82 4.357 -8.094 -2.057 615 HD3 PRO 82 HD2 PRO 82 3.715 -9.722 -1.755 616 HA PRO 83 HA PRO 83 6.834 -5.970 -6.007 617 HB2 PRO 83 HB3 PRO 83 8.314 -6.573 -8.204 618 HB3 PRO 83 HB2 PRO 83 8.820 -7.015 -6.563 619 HG2 PRO 83 HG3 PRO 83 7.650 -8.699 -8.700 620 HG3 PRO 83 HG2 PRO 83 8.832 -9.113 -7.449 621 HD2 PRO 83 HD3 PRO 83 6.105 -9.735 -7.365 622 HD3 PRO 83 HD2 PRO 83 7.206 -9.745 -5.971 623 H VAL 84 H VAL 84 5.991 -4.282 -7.218 624 HA VAL 84 HA VAL 84 4.489 -4.997 -9.710 625 HB VAL 84 HB VAL 84 3.776 -2.831 -7.711 626 HG11 VAL 84 HG11 VAL 84 2.242 -2.134 -9.213 627 HG12 VAL 84 HG12 VAL 84 1.722 -3.784 -9.551 628 HG13 VAL 84 HG13 VAL 84 3.108 -3.105 -10.403 629 HG21 VAL 84 HG21 VAL 84 2.988 -4.593 -6.507 630 HG22 VAL 84 HG22 VAL 84 3.129 -5.703 -7.870 631 HG23 VAL 84 HG23 VAL 84 1.717 -4.655 -7.728 632 H GLU 85 H GLU 85 5.154 -3.889 -11.490 633 HA GLU 85 HA GLU 85 7.351 -2.031 -11.345 634 HB2 GLU 85 HB3 GLU 85 5.431 -2.663 -13.607 635 HB3 GLU 85 HB2 GLU 85 6.897 -1.696 -13.780 636 HG2 GLU 85 HG3 GLU 85 8.238 -3.621 -12.960 637 HG3 GLU 85 HG2 GLU 85 6.764 -4.587 -12.873 638 H ALA 86 H ALA 86 3.844 -1.651 -11.691 639 HA ALA 86 HA ALA 86 4.081 1.140 -10.798 640 HB1 ALA 86 HB1 ALA 86 2.965 2.108 -12.719 641 HB2 ALA 86 HB2 ALA 86 2.764 0.520 -13.457 642 HB3 ALA 86 HB3 ALA 86 4.375 1.221 -13.298 643 H LYS 87 H LYS 87 2.023 1.981 -10.083 644 HA LYS 87 HA LYS 87 0.278 0.075 -8.909 645 HB2 LYS 87 HB3 LYS 87 0.505 2.485 -8.218 646 HB3 LYS 87 HB2 LYS 87 -0.425 2.929 -9.649 647 HG2 LYS 87 HG3 LYS 87 -2.287 1.480 -8.856 648 HG3 LYS 87 HG2 LYS 87 -1.365 1.136 -7.392 649 HD2 LYS 87 HD3 LYS 87 -1.272 3.643 -6.993 650 HD3 LYS 87 HD2 LYS 87 -2.440 3.815 -8.303 651 HE2 LYS 87 HE3 LYS 87 -2.824 2.773 -5.555 652 HE3 LYS 87 HE2 LYS 87 -3.965 3.598 -6.618 653 HZ1 LYS 87 HZ1 LYS 87 -3.230 0.744 -6.556 654 HZ2 LYS 87 HZ2 LYS 87 -3.864 1.439 -7.971 655 HZ3 LYS 87 HZ3 LYS 87 -4.772 1.449 -6.535 656 H LEU 88 H LEU 88 0.081 1.807 -11.997 657 HA LEU 88 HA LEU 88 -2.569 1.057 -12.705 658 HB2 LEU 88 HB3 LEU 88 -0.186 1.413 -14.552 659 HB3 LEU 88 HB2 LEU 88 -1.885 1.496 -15.018 660 HG LEU 88 HG LEU 88 -0.465 3.360 -13.092 661 HD11 LEU 88 HD11 LEU 88 -1.672 3.822 -15.837 662 HD12 LEU 88 HD12 LEU 88 0.053 3.747 -15.480 663 HD13 LEU 88 HD13 LEU 88 -0.929 5.055 -14.820 664 HD21 LEU 88 HD21 LEU 88 -2.782 4.576 -13.459 665 HD22 LEU 88 HD22 LEU 88 -2.640 3.301 -12.248 666 HD23 LEU 88 HD23 LEU 88 -3.349 2.947 -13.824 667 H GLN 89 H GLN 89 0.496 -0.688 -12.972 668 HA GLN 89 HA GLN 89 -0.945 -2.981 -14.209 669 HB2 GLN 89 HB3 GLN 89 1.198 -2.197 -15.242 670 HB3 GLN 89 HB2 GLN 89 2.030 -2.619 -13.745 671 HG2 GLN 89 HG3 GLN 89 1.214 -4.963 -13.992 672 HG3 GLN 89 HG2 GLN 89 0.498 -4.520 -15.543 673 HE21 GLN 89 HE21 GLN 89 3.154 -2.610 -15.466 674 HE22 GLN 89 HE22 GLN 89 4.295 -3.639 -16.187 675 H3 7V9 101 1H1 NIA 101 -11.905 3.764 9.193 676 H4 7V9 101 2H1 NIA 101 -10.342 4.269 8.554 677 H5 7V9 101 1HE1 NIA 101 -10.307 1.580 11.446 678 H6 7V9 101 2HE1 NIA 101 -11.924 1.905 10.821 679 H7 7V9 101 3HE1 NIA 101 -10.871 3.244 11.282 680 H8 7V9 101 2HE2 NIA 101 -8.633 3.366 10.178 681 H9 7V9 101 3HE2 NIA 101 -8.473 2.829 8.508 682 H10 7V9 101 1HE2 NIA 101 -8.330 1.666 9.824 683 H11 7V9 101 3H NIA 101 -11.635 0.927 8.403 684 H12 7V9 101 3HO NIA 101 -9.636 0.183 10.228 685 H13 7V9 101 5H NIA 101 -8.147 0.148 8.599 686 H14 7V9 101 1H6 NIA 101 -7.863 1.508 5.951 687 H15 7V9 101 2H6 NIA 101 -6.799 1.845 7.312 688 H16 7V9 101 1H7 NIA 101 -7.060 -0.912 6.100 689 H17 7V9 101 2H7 NIA 101 -5.807 -0.320 7.191 690 H18 7V9 101 9H NIA 101 -7.044 0.885 3.862 691 H19 7V9 101 1H10 NIA 101 -4.799 -0.978 3.218 692 H20 7V9 101 2H10 NIA 101 -6.295 -0.869 2.295 693 H21 7V9 101 1H11 NIA 101 -4.166 1.281 2.483 694 H22 7V9 101 2H11 NIA 101 -5.684 1.425 1.595 695 H25 7V9 101 5H1 NIA 101 -0.942 -1.911 2.076 696 H26 7V9 101 7H1 NIA 101 -1.405 -4.556 -1.145 697 H27 7V9 101 8H1 NIA 101 -2.797 -2.878 -2.341 698 H28 7V9 101 9H1 NIA 101 -2.567 -0.478 -1.595 Start of MODEL 9 1 H1 MET 1 H1 MET 1 12.192 -3.889 4.464 2 H2 MET 1 H2 MET 1 12.235 -5.204 3.387 3 H3 MET 1 H3 MET 1 10.814 -4.856 4.251 4 HA MET 1 HA MET 1 10.159 -3.273 2.832 5 HB2 MET 1 HB3 MET 1 13.100 -2.579 2.563 6 HB3 MET 1 HB2 MET 1 11.788 -1.689 1.787 7 HG2 MET 1 HG3 MET 1 10.783 -1.330 4.064 8 HG3 MET 1 HG2 MET 1 12.233 -2.048 4.762 9 HE1 MET 1 HE1 MET 1 14.530 -0.744 2.509 10 HE2 MET 1 HE2 MET 1 14.468 -1.481 4.108 11 HE3 MET 1 HE3 MET 1 15.083 0.161 3.925 12 H GLN 2 H GLN 2 10.669 -5.989 2.142 13 HA GLN 2 HA GLN 2 12.103 -6.337 -0.289 14 HB2 GLN 2 HB3 GLN 2 9.616 -7.763 0.706 15 HB3 GLN 2 HB2 GLN 2 10.631 -8.320 -0.624 16 HG2 GLN 2 HG3 GLN 2 12.561 -8.474 0.891 17 HG3 GLN 2 HG2 GLN 2 11.570 -7.885 2.226 18 HE21 GLN 2 HE21 GLN 2 12.791 -10.438 2.414 19 HE22 GLN 2 HE22 GLN 2 11.587 -11.633 2.341 20 H HIS 3 H HIS 3 8.800 -5.227 0.335 21 HA HIS 3 HA HIS 3 8.668 -4.335 -2.507 22 HB2 HIS 3 HB3 HIS 3 6.898 -6.243 -1.117 23 HB3 HIS 3 HB2 HIS 3 6.053 -4.950 -1.968 24 HD1 HIS 3 HD1 HIS 3 6.421 -4.775 -4.557 25 HD2 HIS 3 HD2 HIS 3 8.220 -8.100 -2.795 26 HE1 HIS 3 HE1 HIS 3 7.065 -6.329 -6.451 27 HE2 HIS 3 HE2 HIS 3 8.164 -8.355 -5.389 28 H ALA 4 H ALA 4 9.010 -3.138 0.345 29 HA ALA 4 HA ALA 4 6.705 -1.630 1.006 30 HB1 ALA 4 HB1 ALA 4 8.547 -1.672 2.548 31 HB2 ALA 4 HB2 ALA 4 8.373 0.000 2.015 32 HB3 ALA 4 HB3 ALA 4 9.650 -1.011 1.340 33 H SER 5 H SER 5 9.301 -0.945 -1.331 34 HA SER 5 HA SER 5 8.418 1.709 -1.966 35 HB2 SER 5 HB3 SER 5 9.834 1.524 -3.925 36 HB3 SER 5 HB2 SER 5 10.654 0.733 -2.581 37 HG SER 5 HG SER 5 8.994 -0.970 -3.871 38 H VAL 6 H VAL 6 7.541 -1.478 -3.237 39 HA VAL 6 HA VAL 6 5.921 -0.479 -5.403 40 HB VAL 6 HB VAL 6 5.860 -3.109 -3.912 41 HG11 VAL 6 HG11 VAL 6 4.385 -2.171 -6.383 42 HG12 VAL 6 HG12 VAL 6 3.687 -2.813 -4.896 43 HG13 VAL 6 HG13 VAL 6 4.590 -3.875 -5.976 44 HG21 VAL 6 HG21 VAL 6 6.849 -3.836 -6.190 45 HG22 VAL 6 HG22 VAL 6 7.907 -2.948 -5.093 46 HG23 VAL 6 HG23 VAL 6 7.151 -2.119 -6.453 47 H ILE 7 H ILE 7 5.263 -1.293 -2.022 48 HA ILE 7 HA ILE 7 2.429 -1.078 -2.127 49 HB ILE 7 HB ILE 7 4.339 -0.404 0.128 50 HG12 ILE 7 HG13 ILE 7 2.676 -2.893 -0.352 51 HG13 ILE 7 HG12 ILE 7 4.372 -2.754 -0.813 52 HG21 ILE 7 HG21 ILE 7 2.317 -0.791 1.563 53 HG22 ILE 7 HG22 ILE 7 1.338 -0.856 0.098 54 HG23 ILE 7 HG23 ILE 7 2.175 0.635 0.535 55 HD11 ILE 7 HD11 ILE 7 4.998 -3.244 1.284 56 HD12 ILE 7 HD12 ILE 7 3.304 -3.422 1.741 57 HD13 ILE 7 HD13 ILE 7 4.098 -1.853 1.890 58 H ALA 8 H ALA 8 4.880 1.404 -1.351 59 HA ALA 8 HA ALA 8 3.007 3.555 -1.084 60 HB1 ALA 8 HB1 ALA 8 5.750 4.082 -2.149 61 HB2 ALA 8 HB2 ALA 8 5.613 3.368 -0.543 62 HB3 ALA 8 HB3 ALA 8 4.860 4.926 -0.882 63 H GLN 9 H GLN 9 4.983 2.466 -3.832 64 HA GLN 9 HA GLN 9 4.030 4.415 -5.701 65 HB2 GLN 9 HB3 GLN 9 6.048 2.999 -6.056 66 HB3 GLN 9 HB2 GLN 9 5.005 1.588 -6.228 67 HG2 GLN 9 HG3 GLN 9 3.910 3.454 -7.985 68 HG3 GLN 9 HG2 GLN 9 5.650 3.654 -8.180 69 HE21 GLN 9 HE21 GLN 9 3.145 1.070 -8.055 70 HE22 GLN 9 HE22 GLN 9 3.950 0.032 -9.131 71 H PHE 10 H PHE 10 2.967 1.127 -4.945 72 HA PHE 10 HA PHE 10 0.838 1.040 -6.875 73 HB2 PHE 10 HB3 PHE 10 1.887 -0.957 -5.778 74 HB3 PHE 10 HB2 PHE 10 1.105 -0.492 -4.271 75 HD1 PHE 10 HD1 PHE 10 -1.214 -0.919 -3.885 76 HD2 PHE 10 HD2 PHE 10 0.493 -1.567 -7.772 77 HE1 PHE 10 HE1 PHE 10 -3.276 -2.099 -4.593 78 HE2 PHE 10 HE2 PHE 10 -1.568 -2.745 -8.482 79 HZ PHE 10 HZ PHE 10 -3.452 -3.013 -6.892 80 H VAL 11 H VAL 11 0.894 1.683 -3.381 81 HA VAL 11 HA VAL 11 -1.922 2.246 -3.178 82 HB VAL 11 HB VAL 11 0.401 3.069 -1.410 83 HG11 VAL 11 HG11 VAL 11 -1.985 2.880 0.069 84 HG12 VAL 11 HG12 VAL 11 -2.403 3.796 -1.379 85 HG13 VAL 11 HG13 VAL 11 -1.100 4.353 -0.330 86 HG21 VAL 11 HG21 VAL 11 -0.035 1.116 -0.165 87 HG22 VAL 11 HG22 VAL 11 -0.196 0.570 -1.833 88 HG23 VAL 11 HG23 VAL 11 -1.636 0.911 -0.875 89 H VAL 12 H VAL 12 0.946 4.342 -3.511 90 HA VAL 12 HA VAL 12 -0.479 6.816 -3.394 91 HB VAL 12 HB VAL 12 2.121 6.135 -4.773 92 HG11 VAL 12 HG11 VAL 12 2.003 8.210 -5.630 93 HG12 VAL 12 HG12 VAL 12 2.088 8.826 -3.980 94 HG13 VAL 12 HG13 VAL 12 0.520 8.552 -4.741 95 HG21 VAL 12 HG21 VAL 12 3.169 6.509 -2.761 96 HG22 VAL 12 HG22 VAL 12 1.610 5.983 -2.125 97 HG23 VAL 12 HG23 VAL 12 1.977 7.703 -2.249 98 H GLU 13 H GLU 13 0.286 4.645 -6.074 99 HA GLU 13 HA GLU 13 -0.371 6.285 -8.246 100 HB2 GLU 13 HB3 GLU 13 0.498 3.946 -8.409 101 HB3 GLU 13 HB2 GLU 13 -1.106 3.370 -7.972 102 HG2 GLU 13 HG3 GLU 13 -2.048 4.572 -9.934 103 HG3 GLU 13 HG2 GLU 13 -0.411 5.031 -10.395 104 H GLU 14 H GLU 14 -2.512 4.670 -5.964 105 HA GLU 14 HA GLU 14 -4.944 5.075 -7.435 106 HB2 GLU 14 HB3 GLU 14 -4.426 4.769 -4.464 107 HB3 GLU 14 HB2 GLU 14 -6.038 4.804 -5.179 108 HG2 GLU 14 HG3 GLU 14 -3.859 2.829 -5.926 109 HG3 GLU 14 HG2 GLU 14 -5.206 2.480 -4.840 110 H PHE 15 H PHE 15 -3.079 7.143 -5.274 111 HA PHE 15 HA PHE 15 -4.885 9.384 -6.035 112 HB2 PHE 15 HB3 PHE 15 -4.984 10.203 -3.751 113 HB3 PHE 15 HB2 PHE 15 -5.547 8.533 -3.772 114 HD1 PHE 15 HD1 PHE 15 -3.079 10.843 -2.480 115 HD2 PHE 15 HD2 PHE 15 -3.931 6.683 -3.130 116 HE1 PHE 15 HE1 PHE 15 -1.316 10.226 -0.849 117 HE2 PHE 15 HE2 PHE 15 -2.170 6.067 -1.496 118 HZ PHE 15 HZ PHE 15 -0.863 7.839 -0.356 119 H LEU 16 H LEU 16 -2.342 8.825 -7.140 120 HA LEU 16 HA LEU 16 -0.359 10.423 -5.736 121 HB2 LEU 16 HB3 LEU 16 1.160 9.593 -7.219 122 HB3 LEU 16 HB2 LEU 16 -0.090 8.393 -7.459 123 HG LEU 16 HG LEU 16 0.334 10.857 -9.186 124 HD11 LEU 16 HD11 LEU 16 0.606 8.532 -10.696 125 HD12 LEU 16 HD12 LEU 16 1.466 8.181 -9.197 126 HD13 LEU 16 HD13 LEU 16 1.911 9.591 -10.160 127 HD21 LEU 16 HD21 LEU 16 -2.018 9.429 -8.802 128 HD22 LEU 16 HD22 LEU 16 -1.303 8.637 -10.201 129 HD23 LEU 16 HD23 LEU 16 -1.626 10.369 -10.237 130 HA PRO 17 HA PRO 17 -1.793 14.212 -7.665 131 HB2 PRO 17 HB3 PRO 17 0.098 15.897 -6.674 132 HB3 PRO 17 HB2 PRO 17 -1.198 15.238 -5.660 133 HG2 PRO 17 HG3 PRO 17 1.646 14.391 -5.879 134 HG3 PRO 17 HG2 PRO 17 0.616 14.529 -4.447 135 HD2 PRO 17 HD3 PRO 17 1.153 12.143 -5.717 136 HD3 PRO 17 HD2 PRO 17 -0.303 12.449 -4.747 137 H ASP 18 H ASP 18 0.238 16.205 -8.394 138 HA ASP 18 HA ASP 18 1.066 15.067 -10.939 139 HB2 ASP 18 HB3 ASP 18 1.568 17.749 -9.641 140 HB3 ASP 18 HB2 ASP 18 2.086 17.337 -11.271 141 H VAL 19 H VAL 19 2.220 14.292 -8.131 142 HA VAL 19 HA VAL 19 5.105 14.635 -8.853 143 HB VAL 19 HB VAL 19 3.893 14.025 -6.142 144 HG11 VAL 19 HG11 VAL 19 6.068 13.226 -6.005 145 HG12 VAL 19 HG12 VAL 19 6.320 14.915 -5.564 146 HG13 VAL 19 HG13 VAL 19 6.674 14.368 -7.204 147 HG21 VAL 19 HG21 VAL 19 4.753 16.587 -7.483 148 HG22 VAL 19 HG22 VAL 19 4.806 16.429 -5.728 149 HG23 VAL 19 HG23 VAL 19 3.272 16.259 -6.581 150 H ALA 20 H ALA 20 6.302 12.790 -9.197 151 HA ALA 20 HA ALA 20 4.917 10.266 -9.446 152 HB1 ALA 20 HB1 ALA 20 6.657 10.449 -10.979 153 HB2 ALA 20 HB2 ALA 20 7.416 9.468 -9.726 154 HB3 ALA 20 HB3 ALA 20 7.741 11.199 -9.809 155 HA PRO 21 HA PRO 21 5.260 8.772 -5.241 156 HB2 PRO 21 HB3 PRO 21 6.098 6.173 -6.399 157 HB3 PRO 21 HB2 PRO 21 4.752 6.541 -5.308 158 HG2 PRO 21 HG3 PRO 21 4.459 5.994 -7.951 159 HG3 PRO 21 HG2 PRO 21 3.326 6.968 -7.006 160 HD2 PRO 21 HD3 PRO 21 5.202 7.827 -9.103 161 HD3 PRO 21 HD2 PRO 21 3.788 8.668 -8.431 162 H ALA 22 H ALA 22 7.814 8.093 -7.581 163 HA ALA 22 HA ALA 22 9.828 7.282 -5.706 164 HB1 ALA 22 HB1 ALA 22 10.472 6.775 -7.866 165 HB2 ALA 22 HB2 ALA 22 11.329 8.303 -7.667 166 HB3 ALA 22 HB3 ALA 22 9.791 8.261 -8.529 167 H ASP 23 H ASP 23 8.507 10.366 -6.556 168 HA ASP 23 HA ASP 23 10.773 11.830 -5.341 169 HB2 ASP 23 HB3 ASP 23 8.209 12.769 -6.657 170 HB3 ASP 23 HB2 ASP 23 9.427 13.853 -5.984 171 H VAL 24 H VAL 24 8.261 10.151 -4.165 172 HA VAL 24 HA VAL 24 7.600 12.136 -2.036 173 HB VAL 24 HB VAL 24 6.253 9.494 -2.687 174 HG11 VAL 24 HG11 VAL 24 6.127 11.254 -0.430 175 HG12 VAL 24 HG12 VAL 24 5.187 9.792 -0.729 176 HG13 VAL 24 HG13 VAL 24 4.593 11.353 -1.298 177 HG21 VAL 24 HG21 VAL 24 5.244 12.295 -3.244 178 HG22 VAL 24 HG22 VAL 24 4.552 10.772 -3.799 179 HG23 VAL 24 HG23 VAL 24 6.092 11.331 -4.451 180 H ASP 25 H ASP 25 8.252 11.726 0.060 181 HA ASP 25 HA ASP 25 10.296 9.739 0.490 182 HB2 ASP 25 HB3 ASP 25 8.718 11.445 2.439 183 HB3 ASP 25 HB2 ASP 25 10.098 10.442 2.891 184 H VAL 26 H VAL 26 9.354 7.695 0.012 185 HA VAL 26 HA VAL 26 6.885 6.745 1.070 186 HB VAL 26 HB VAL 26 7.708 4.514 0.541 187 HG11 VAL 26 HG11 VAL 26 7.383 6.477 -1.266 188 HG12 VAL 26 HG12 VAL 26 7.870 4.848 -1.731 189 HG13 VAL 26 HG13 VAL 26 9.083 6.116 -1.564 190 HG21 VAL 26 HG21 VAL 26 10.376 5.906 0.690 191 HG22 VAL 26 HG22 VAL 26 10.189 4.446 -0.281 192 HG23 VAL 26 HG23 VAL 26 9.871 4.398 1.453 193 H ASP 27 H ASP 27 9.502 7.777 2.775 194 HA ASP 27 HA ASP 27 9.312 5.736 4.917 195 HB2 ASP 27 HB3 ASP 27 11.055 8.200 4.603 196 HB3 ASP 27 HB2 ASP 27 11.115 7.113 5.991 197 H LEU 28 H LEU 28 7.421 8.147 3.995 198 HA LEU 28 HA LEU 28 7.088 9.486 6.613 199 HB2 LEU 28 HB3 LEU 28 6.945 10.775 4.474 200 HB3 LEU 28 HB2 LEU 28 5.520 9.834 4.041 201 HG LEU 28 HG LEU 28 4.839 10.670 6.551 202 HD11 LEU 28 HD11 LEU 28 6.137 13.089 5.315 203 HD12 LEU 28 HD12 LEU 28 7.029 12.057 6.431 204 HD13 LEU 28 HD13 LEU 28 5.558 12.870 6.966 205 HD21 LEU 28 HD21 LEU 28 3.348 10.847 4.678 206 HD22 LEU 28 HD22 LEU 28 4.414 11.990 3.858 207 HD23 LEU 28 HD23 LEU 28 3.545 12.482 5.312 208 H ASP 29 H ASP 29 5.406 9.027 8.004 209 HA ASP 29 HA ASP 29 3.990 6.559 7.728 210 HB2 ASP 29 HB3 ASP 29 2.596 7.441 9.636 211 HB3 ASP 29 HB2 ASP 29 4.333 7.511 9.936 212 H LEU 30 H LEU 30 2.451 6.212 6.205 213 HA LEU 30 HA LEU 30 1.145 8.297 4.759 214 HB2 LEU 30 HB3 LEU 30 -0.238 6.529 3.808 215 HB3 LEU 30 HB2 LEU 30 1.427 5.960 3.930 216 HG LEU 30 HG LEU 30 0.254 5.326 6.403 217 HD11 LEU 30 HD11 LEU 30 -1.546 4.482 4.114 218 HD12 LEU 30 HD12 LEU 30 -1.948 5.747 5.275 219 HD13 LEU 30 HD13 LEU 30 -1.748 4.082 5.819 220 HD21 LEU 30 HD21 LEU 30 0.792 3.643 3.935 221 HD22 LEU 30 HD22 LEU 30 0.510 2.989 5.549 222 HD23 LEU 30 HD23 LEU 30 1.931 3.986 5.237 223 H VAL 31 H VAL 31 0.781 7.796 7.917 224 HA VAL 31 HA VAL 31 -1.978 7.467 8.412 225 HB VAL 31 HB VAL 31 -0.069 7.683 10.119 226 HG11 VAL 31 HG11 VAL 31 0.606 9.952 9.096 227 HG12 VAL 31 HG12 VAL 31 0.564 9.847 10.856 228 HG13 VAL 31 HG13 VAL 31 -0.761 10.620 9.987 229 HG21 VAL 31 HG21 VAL 31 -2.020 7.495 11.289 230 HG22 VAL 31 HG22 VAL 31 -2.851 8.677 10.279 231 HG23 VAL 31 HG23 VAL 31 -1.796 9.219 11.584 232 H ASP 32 H ASP 32 -0.170 10.355 7.444 233 HA ASP 32 HA ASP 32 -2.253 12.265 7.735 234 HB2 ASP 32 HB3 ASP 32 0.158 12.752 7.108 235 HB3 ASP 32 HB2 ASP 32 -0.227 12.200 5.477 236 H ASN 33 H ASN 33 -1.538 9.932 5.200 237 HA ASN 33 HA ASN 33 -3.824 10.805 3.568 238 HB2 ASN 33 HB3 ASN 33 -1.958 8.447 3.231 239 HB3 ASN 33 HB2 ASN 33 -3.110 9.029 2.032 240 HD21 ASN 33 HD21 ASN 33 0.076 9.478 3.316 241 HD22 ASN 33 HD22 ASN 33 0.486 10.843 2.395 242 H GLY 34 H GLY 34 -3.869 9.490 6.382 243 HA2 GLY 34 HA3 GLY 34 -4.870 6.930 6.452 244 HA3 GLY 34 HA2 GLY 34 -5.530 8.212 7.467 245 H VAL 35 H VAL 35 -6.262 9.586 4.756 246 HA VAL 35 HA VAL 35 -9.001 8.937 4.722 247 HB VAL 35 HB VAL 35 -7.751 10.855 3.507 248 HG11 VAL 35 HG11 VAL 35 -6.986 10.444 1.310 249 HG12 VAL 35 HG12 VAL 35 -7.804 8.883 1.229 250 HG13 VAL 35 HG13 VAL 35 -6.372 9.075 2.240 251 HG21 VAL 35 HG21 VAL 35 -9.538 10.873 1.691 252 HG22 VAL 35 HG22 VAL 35 -10.145 10.686 3.336 253 HG23 VAL 35 HG23 VAL 35 -10.030 9.283 2.273 254 H ILE 36 H ILE 36 -6.285 7.422 3.096 255 HA ILE 36 HA ILE 36 -7.845 5.675 1.410 256 HB ILE 36 HB ILE 36 -5.340 6.319 1.217 257 HG12 ILE 36 HG13 ILE 36 -6.546 3.589 0.833 258 HG13 ILE 36 HG12 ILE 36 -6.086 4.781 -0.385 259 HG21 ILE 36 HG21 ILE 36 -5.005 3.881 2.965 260 HG22 ILE 36 HG22 ILE 36 -4.980 5.508 3.646 261 HG23 ILE 36 HG23 ILE 36 -3.775 5.035 2.447 262 HD11 ILE 36 HD11 ILE 36 -3.667 4.402 0.424 263 HD12 ILE 36 HD12 ILE 36 -4.408 3.118 -0.533 264 HD13 ILE 36 HD13 ILE 36 -4.294 2.958 1.219 265 H ASP 37 H ASP 37 -6.935 5.605 4.749 266 HA ASP 37 HA ASP 37 -6.853 2.853 5.290 267 HB2 ASP 37 HB3 ASP 37 -7.972 5.090 6.995 268 HB3 ASP 37 HB2 ASP 37 -7.635 3.465 7.583 269 H SER 38 H SER 38 -9.714 4.892 4.776 270 HA SER 38 HA SER 38 -11.388 2.453 5.216 271 HB2 SER 38 2HB SER 38 -12.217 5.357 5.336 272 HB3 SER 38 1HB SER 38 -13.239 3.970 5.698 273 H LEU 39 H LEU 39 -11.706 5.473 3.301 274 HA LEU 39 HA LEU 39 -13.409 4.237 1.369 275 HB2 LEU 39 HB3 LEU 39 -11.765 6.750 1.321 276 HB3 LEU 39 HB2 LEU 39 -12.743 6.258 -0.055 277 HG LEU 39 HG LEU 39 -14.692 6.080 1.596 278 HD11 LEU 39 HD11 LEU 39 -12.623 7.482 3.288 279 HD12 LEU 39 HD12 LEU 39 -13.624 6.094 3.709 280 HD13 LEU 39 HD13 LEU 39 -14.350 7.694 3.571 281 HD21 LEU 39 HD21 LEU 39 -15.173 8.462 1.421 282 HD22 LEU 39 HD22 LEU 39 -14.364 7.922 -0.050 283 HD23 LEU 39 HD23 LEU 39 -13.462 8.814 1.173 284 H GLY 40 H GLY 40 -9.958 5.100 1.150 285 HA2 GLY 40 HA3 GLY 40 -9.627 3.840 -1.424 286 HA3 GLY 40 HA2 GLY 40 -8.325 4.352 -0.359 287 H LEU 41 H LEU 41 -9.101 2.762 1.910 288 HA LEU 41 HA LEU 41 -7.723 0.354 1.341 289 HB2 LEU 41 HB3 LEU 41 -8.076 1.334 3.627 290 HB3 LEU 41 HB2 LEU 41 -9.750 0.784 3.554 291 HG LEU 41 HG LEU 41 -7.744 -1.287 2.908 292 HD11 LEU 41 HD11 LEU 41 -7.823 0.136 5.560 293 HD12 LEU 41 HD12 LEU 41 -6.423 -0.423 4.645 294 HD13 LEU 41 HD13 LEU 41 -7.444 -1.584 5.490 295 HD21 LEU 41 HD21 LEU 41 -10.081 -1.165 4.844 296 HD22 LEU 41 HD22 LEU 41 -9.241 -2.625 4.324 297 HD23 LEU 41 HD23 LEU 41 -10.189 -1.693 3.165 298 H LEU 42 H LEU 42 -11.213 1.021 1.457 299 HA LEU 42 HA LEU 42 -12.015 -1.707 1.008 300 HB2 LEU 42 HB3 LEU 42 -13.526 0.126 1.846 301 HB3 LEU 42 HB2 LEU 42 -13.512 0.809 0.227 302 HG LEU 42 HG LEU 42 -14.250 -1.571 -0.537 303 HD11 LEU 42 HD11 LEU 42 -15.677 -1.835 2.012 304 HD12 LEU 42 HD12 LEU 42 -13.938 -2.079 2.158 305 HD13 LEU 42 HD13 LEU 42 -14.875 -3.069 1.041 306 HD21 LEU 42 HD21 LEU 42 -16.654 -0.959 0.017 307 HD22 LEU 42 HD22 LEU 42 -15.726 0.315 -0.772 308 HD23 LEU 42 HD23 LEU 42 -16.014 0.382 0.966 309 H LYS 43 H LYS 43 -11.492 1.045 -1.201 310 HA LYS 43 HA LYS 43 -12.166 -0.408 -3.587 311 HB2 LYS 43 HB3 LYS 43 -10.443 2.039 -3.168 312 HB3 LYS 43 HB2 LYS 43 -10.976 1.454 -4.739 313 HG2 LYS 43 HG3 LYS 43 -13.343 1.664 -3.969 314 HG3 LYS 43 HG2 LYS 43 -12.754 2.369 -2.463 315 HD2 LYS 43 HD3 LYS 43 -11.623 4.158 -3.793 316 HD3 LYS 43 HD2 LYS 43 -12.354 3.488 -5.252 317 HE2 LYS 43 HE3 LYS 43 -14.588 3.897 -4.376 318 HE3 LYS 43 HE2 LYS 43 -13.920 4.447 -2.840 319 HZ1 LYS 43 HZ1 LYS 43 -14.101 6.447 -3.821 320 HZ2 LYS 43 HZ2 LYS 43 -14.067 5.815 -5.397 321 HZ3 LYS 43 HZ3 LYS 43 -12.621 6.027 -4.532 322 H VAL 44 H VAL 44 -9.136 0.145 -1.846 323 HA VAL 44 HA VAL 44 -7.381 -0.961 -3.805 324 HB VAL 44 HB VAL 44 -7.160 -0.766 -0.793 325 HG11 VAL 44 HG11 VAL 44 -5.680 -2.528 -1.407 326 HG12 VAL 44 HG12 VAL 44 -4.671 -1.084 -1.316 327 HG13 VAL 44 HG13 VAL 44 -5.188 -1.702 -2.885 328 HG21 VAL 44 HG21 VAL 44 -5.528 0.784 -2.768 329 HG22 VAL 44 HG22 VAL 44 -6.080 1.253 -1.160 330 HG23 VAL 44 HG23 VAL 44 -7.207 1.264 -2.517 331 H ILE 45 H ILE 45 -9.135 -2.484 -1.106 332 HA ILE 45 HA ILE 45 -7.954 -5.051 -1.295 333 HB ILE 45 HB ILE 45 -10.454 -3.910 -0.181 334 HG12 ILE 45 HG13 ILE 45 -9.723 -5.380 1.740 335 HG13 ILE 45 HG12 ILE 45 -8.340 -5.867 0.768 336 HG21 ILE 45 HG21 ILE 45 -11.515 -5.708 -1.339 337 HG22 ILE 45 HG22 ILE 45 -11.281 -6.271 0.314 338 HG23 ILE 45 HG23 ILE 45 -10.198 -6.820 -0.963 339 HD11 ILE 45 HD11 ILE 45 -7.380 -4.093 1.874 340 HD12 ILE 45 HD12 ILE 45 -8.915 -3.251 2.076 341 HD13 ILE 45 HD13 ILE 45 -8.082 -3.207 0.525 342 H ALA 46 H ALA 46 -10.950 -3.851 -2.864 343 HA ALA 46 HA ALA 46 -11.359 -6.263 -4.382 344 HB1 ALA 46 HB1 ALA 46 -12.400 -3.949 -5.752 345 HB2 ALA 46 HB2 ALA 46 -12.702 -3.792 -4.021 346 HB3 ALA 46 HB3 ALA 46 -13.284 -5.211 -4.893 347 H TRP 47 H TRP 47 -9.645 -3.242 -5.017 348 HA TRP 47 HA TRP 47 -9.066 -3.748 -7.779 349 HB2 TRP 47 HB3 TRP 47 -8.863 -1.519 -6.776 350 HB3 TRP 47 HB2 TRP 47 -7.574 -2.102 -5.730 351 HD1 TRP 47 HD1 TRP 47 -7.982 -2.793 -9.512 352 HE1 TRP 47 HE1 TRP 47 -5.862 -1.940 -10.696 353 HE3 TRP 47 HE3 TRP 47 -5.571 -0.675 -5.564 354 HZ2 TRP 47 HZ2 TRP 47 -3.450 -0.534 -10.055 355 HZ3 TRP 47 HZ3 TRP 47 -3.364 0.421 -5.866 356 HH2 TRP 47 HH2 TRP 47 -2.301 0.492 -8.107 357 H LEU 48 H LEU 48 -7.365 -4.502 -4.772 358 HA LEU 48 HA LEU 48 -4.950 -5.477 -5.888 359 HB2 LEU 48 HB3 LEU 48 -5.418 -5.044 -3.449 360 HB3 LEU 48 HB2 LEU 48 -6.361 -6.524 -3.423 361 HG LEU 48 HG LEU 48 -4.209 -7.602 -4.438 362 HD11 LEU 48 HD11 LEU 48 -2.723 -5.634 -2.821 363 HD12 LEU 48 HD12 LEU 48 -3.341 -5.020 -4.352 364 HD13 LEU 48 HD13 LEU 48 -2.268 -6.418 -4.331 365 HD21 LEU 48 HD21 LEU 48 -3.299 -7.458 -1.879 366 HD22 LEU 48 HD22 LEU 48 -4.650 -8.481 -2.370 367 HD23 LEU 48 HD23 LEU 48 -4.957 -6.896 -1.658 368 H GLU 49 H GLU 49 -8.028 -7.145 -5.224 369 HA GLU 49 HA GLU 49 -7.110 -9.754 -5.985 370 HB2 GLU 49 HB3 GLU 49 -9.174 -9.429 -4.694 371 HB3 GLU 49 HB2 GLU 49 -9.904 -8.578 -6.056 372 HG2 GLU 49 HG3 GLU 49 -8.811 -11.182 -6.818 373 HG3 GLU 49 HG2 GLU 49 -10.069 -11.307 -5.587 374 H ASP 50 H ASP 50 -8.605 -7.109 -7.822 375 HA ASP 50 HA ASP 50 -9.025 -8.518 -10.247 376 HB2 ASP 50 HB3 ASP 50 -9.863 -6.209 -9.692 377 HB3 ASP 50 HB2 ASP 50 -8.234 -5.618 -10.009 378 H ARG 51 H ARG 51 -6.127 -6.854 -9.043 379 HA ARG 51 HA ARG 51 -4.677 -7.426 -11.528 380 HB2 ARG 51 HB3 ARG 51 -3.869 -6.167 -8.901 381 HB3 ARG 51 HB2 ARG 51 -2.760 -6.391 -10.251 382 HG2 ARG 51 HG3 ARG 51 -4.228 -5.052 -11.702 383 HG3 ARG 51 HG2 ARG 51 -5.362 -4.842 -10.367 384 HD2 ARG 51 HD3 ARG 51 -3.952 -2.864 -10.514 385 HD3 ARG 51 HD2 ARG 51 -3.538 -3.754 -9.050 386 HE ARG 51 HE ARG 51 -1.433 -4.305 -10.019 387 HH11 ARG 51 HH11 ARG 51 0.158 -3.951 -11.581 388 HH12 ARG 51 HH12 ARG 51 -0.267 -3.182 -13.074 389 HH21 ARG 51 HH21 ARG 51 -3.613 -2.816 -12.241 390 HH22 ARG 51 HH22 ARG 51 -2.402 -2.540 -13.446 391 H PHE 52 H PHE 52 -4.217 -8.365 -8.088 392 HA PHE 52 HA PHE 52 -2.263 -10.386 -8.856 393 HB2 PHE 52 HB3 PHE 52 -3.584 -9.695 -6.225 394 HB3 PHE 52 HB2 PHE 52 -2.370 -10.958 -6.402 395 HD1 PHE 52 HD1 PHE 52 -0.048 -10.417 -6.998 396 HD2 PHE 52 HD2 PHE 52 -2.996 -7.340 -6.451 397 HE1 PHE 52 HE1 PHE 52 1.750 -8.714 -6.891 398 HE2 PHE 52 HE2 PHE 52 -1.196 -5.636 -6.343 399 HZ PHE 52 HZ PHE 52 1.177 -6.323 -6.564 400 H GLY 53 H GLY 53 -5.717 -10.353 -8.351 401 HA2 GLY 53 HA3 GLY 53 -7.237 -12.114 -8.837 402 HA3 GLY 53 HA2 GLY 53 -5.855 -13.146 -9.209 403 H ILE 54 H ILE 54 -6.005 -11.388 -6.200 404 HA ILE 54 HA ILE 54 -6.241 -13.993 -4.769 405 HB ILE 54 HB ILE 54 -5.224 -11.314 -3.773 406 HG12 ILE 54 HG13 ILE 54 -3.624 -13.796 -4.441 407 HG13 ILE 54 HG12 ILE 54 -3.867 -12.484 -5.596 408 HG21 ILE 54 HG21 ILE 54 -5.847 -13.882 -2.501 409 HG22 ILE 54 HG22 ILE 54 -5.547 -12.308 -1.763 410 HG23 ILE 54 HG23 ILE 54 -4.192 -13.349 -2.200 411 HD11 ILE 54 HD11 ILE 54 -1.734 -12.283 -4.281 412 HD12 ILE 54 HD12 ILE 54 -2.709 -12.098 -2.822 413 HD13 ILE 54 HD13 ILE 54 -2.808 -10.896 -4.109 414 H ALA 55 H ALA 55 -7.729 -14.177 -3.025 415 HA ALA 55 HA ALA 55 -10.214 -12.815 -3.333 416 HB1 ALA 55 HB1 ALA 55 -9.249 -14.978 -1.820 417 HB2 ALA 55 HB2 ALA 55 -10.915 -14.404 -1.892 418 HB3 ALA 55 HB3 ALA 55 -9.832 -13.812 -0.632 419 H ALA 56 H ALA 56 -11.214 -11.266 -1.871 420 HA ALA 56 HA ALA 56 -9.626 -9.018 -1.273 421 HB1 ALA 56 HB1 ALA 56 -11.899 -8.528 -1.355 422 HB2 ALA 56 HB2 ALA 56 -11.622 -8.534 0.388 423 HB3 ALA 56 HB3 ALA 56 -12.341 -9.941 -0.395 424 H ASP 57 H ASP 57 -10.528 -11.752 0.808 425 HA ASP 57 HA ASP 57 -9.754 -12.327 2.955 426 HB2 ASP 57 HB3 ASP 57 -7.335 -10.875 1.866 427 HB3 ASP 57 HB2 ASP 57 -7.327 -11.861 3.326 428 H ASP 58 H ASP 58 -11.425 -10.184 3.087 429 HA ASP 58 HA ASP 58 -10.217 -7.847 4.276 430 HB2 ASP 58 HB3 ASP 58 -12.448 -7.853 3.157 431 HB3 ASP 58 HB2 ASP 58 -13.075 -8.802 4.503 432 H VAL 59 H VAL 59 -9.280 -7.839 6.231 433 HA VAL 59 HA VAL 59 -10.564 -9.396 8.434 434 HB VAL 59 HB VAL 59 -8.338 -9.940 9.310 435 HG11 VAL 59 HG11 VAL 59 -9.481 -11.367 7.514 436 HG12 VAL 59 HG12 VAL 59 -7.745 -11.605 7.709 437 HG13 VAL 59 HG13 VAL 59 -8.358 -10.636 6.367 438 HG21 VAL 59 HG21 VAL 59 -7.374 -8.445 6.851 439 HG22 VAL 59 HG22 VAL 59 -6.337 -9.424 7.889 440 HG23 VAL 59 HG23 VAL 59 -7.116 -7.980 8.532 441 H GLU 60 H GLU 60 -10.034 -8.433 10.610 442 HA GLU 60 HA GLU 60 -10.040 -5.494 10.376 443 HB2 GLU 60 HB3 GLU 60 -11.657 -6.611 11.876 444 HB3 GLU 60 HB2 GLU 60 -10.321 -7.252 12.826 445 HG2 GLU 60 HG3 GLU 60 -9.570 -4.974 13.325 446 HG3 GLU 60 HG2 GLU 60 -10.886 -4.325 12.360 447 H LEU 61 H LEU 61 -8.167 -4.414 10.419 448 HA LEU 61 HA LEU 61 -5.911 -5.521 12.029 449 HB2 LEU 61 HB3 LEU 61 -5.729 -3.655 9.649 450 HB3 LEU 61 HB2 LEU 61 -4.393 -4.452 10.473 451 HG LEU 61 HG LEU 61 -6.586 -5.782 8.880 452 HD11 LEU 61 HD11 LEU 61 -4.225 -4.653 8.034 453 HD12 LEU 61 HD12 LEU 61 -5.079 -5.948 7.195 454 HD13 LEU 61 HD13 LEU 61 -3.759 -6.333 8.299 455 HD21 LEU 61 HD21 LEU 61 -4.538 -6.853 10.796 456 HD22 LEU 61 HD22 LEU 61 -5.007 -7.824 9.401 457 HD23 LEU 61 HD23 LEU 61 -6.222 -7.334 10.581 458 H SER 62 H SER 62 -4.819 -4.068 13.411 459 HA SER 62 HA SER 62 -6.368 -1.851 14.401 460 HB2 SER 62 HB3 SER 62 -4.976 -2.120 16.151 461 HB3 SER 62 HB2 SER 62 -4.084 -3.323 15.227 462 HG SER 62 HG SER 62 -2.922 -1.534 14.293 463 HA PRO 63 HA PRO 63 -5.134 1.467 11.768 464 HB2 PRO 63 HB3 PRO 63 -4.726 3.477 13.648 465 HB3 PRO 63 HB2 PRO 63 -6.300 3.011 12.978 466 HG2 PRO 63 HG3 PRO 63 -5.059 2.298 15.577 467 HG3 PRO 63 HG2 PRO 63 -6.758 2.601 15.177 468 HD2 PRO 63 HD3 PRO 63 -5.780 0.091 15.551 469 HD3 PRO 63 HD2 PRO 63 -7.108 0.437 14.420 470 H GLU 64 H GLU 64 -3.089 0.684 14.505 471 HA GLU 64 HA GLU 64 -0.832 2.303 13.818 472 HB2 GLU 64 HB3 GLU 64 -0.980 -0.322 15.304 473 HB3 GLU 64 HB2 GLU 64 0.445 0.705 15.240 474 HG2 GLU 64 HG3 GLU 64 -0.875 2.551 16.230 475 HG3 GLU 64 HG2 GLU 64 -2.256 1.468 16.358 476 H HIS 65 H HIS 65 -2.023 -0.722 12.552 477 HA HIS 65 HA HIS 65 0.432 -1.646 11.383 478 HB2 HIS 65 HB3 HIS 65 -1.536 -3.101 11.685 479 HB3 HIS 65 HB2 HIS 65 -2.426 -2.142 10.502 480 HD1 HIS 65 HD1 HIS 65 -2.118 -2.747 8.081 481 HD2 HIS 65 HD2 HIS 65 0.829 -4.440 10.501 482 HE1 HIS 65 HE1 HIS 65 -0.766 -4.291 6.593 483 HE2 HIS 65 HE2 HIS 65 1.034 -5.320 8.055 484 H PHE 66 H PHE 66 -1.919 0.750 10.381 485 HA PHE 66 HA PHE 66 -0.693 0.890 7.678 486 HB2 PHE 66 HB3 PHE 66 -2.987 2.517 8.811 487 HB3 PHE 66 HB2 PHE 66 -2.530 2.364 7.114 488 HD1 PHE 66 HD1 PHE 66 -3.958 0.603 10.027 489 HD2 PHE 66 HD2 PHE 66 -3.103 0.394 5.825 490 HE1 PHE 66 HE1 PHE 66 -5.387 -1.410 9.842 491 HE2 PHE 66 HE2 PHE 66 -4.532 -1.627 5.637 492 HZ PHE 66 HZ PHE 66 -5.674 -2.529 7.649 493 H ARG 67 H ARG 67 0.051 2.043 10.642 494 HA ARG 67 HA ARG 67 0.368 4.835 10.355 495 HB2 ARG 67 HB3 ARG 67 0.750 3.541 12.464 496 HB3 ARG 67 HB2 ARG 67 2.254 2.933 11.783 497 HG2 ARG 67 HG3 ARG 67 2.988 4.764 13.038 498 HG3 ARG 67 HG2 ARG 67 2.814 5.465 11.433 499 HD2 ARG 67 HD3 ARG 67 0.562 6.297 12.040 500 HD3 ARG 67 HD2 ARG 67 0.750 5.604 13.650 501 HE ARG 67 HE ARG 67 2.858 7.493 12.856 502 HH11 ARG 67 HH11 ARG 67 2.985 9.343 14.148 503 HH12 ARG 67 HH12 ARG 67 1.699 9.700 15.253 504 HH21 ARG 67 HH21 ARG 67 -0.171 6.910 14.397 505 HH22 ARG 67 HH22 ARG 67 -0.087 8.323 15.394 506 H SER 68 H SER 68 2.522 2.189 9.320 507 HA SER 68 HA SER 68 3.964 4.199 7.638 508 HB2 SER 68 HB3 SER 68 5.204 1.879 9.140 509 HB3 SER 68 HB2 SER 68 6.061 2.970 8.055 510 HG SER 68 HG SER 68 4.576 3.849 10.305 511 H ILE 69 H ILE 69 4.616 3.451 5.588 512 HA ILE 69 HA ILE 69 3.006 1.441 4.372 513 HB ILE 69 HB ILE 69 5.623 2.647 3.432 514 HG12 ILE 69 HG13 ILE 69 2.773 3.433 2.806 515 HG13 ILE 69 HG12 ILE 69 3.801 4.277 3.953 516 HG21 ILE 69 HG21 ILE 69 3.820 2.009 1.339 517 HG22 ILE 69 HG22 ILE 69 3.963 0.584 2.367 518 HG23 ILE 69 HG23 ILE 69 5.405 1.305 1.653 519 HD11 ILE 69 HD11 ILE 69 5.356 4.031 1.633 520 HD12 ILE 69 HD12 ILE 69 4.587 5.500 2.233 521 HD13 ILE 69 HD13 ILE 69 3.749 4.479 1.065 522 H ARG 70 H ARG 70 6.284 1.365 5.717 523 HA ARG 70 HA ARG 70 7.084 -1.158 4.682 524 HB2 ARG 70 HB3 ARG 70 7.800 0.167 7.314 525 HB3 ARG 70 HB2 ARG 70 8.647 -1.219 6.623 526 HG2 ARG 70 HG3 ARG 70 9.111 0.147 4.577 527 HG3 ARG 70 HG2 ARG 70 8.387 1.537 5.386 528 HD2 ARG 70 HD3 ARG 70 10.810 -0.023 6.329 529 HD3 ARG 70 HD2 ARG 70 10.813 1.611 5.664 530 HE ARG 70 HE ARG 70 9.075 1.410 7.973 531 HH11 ARG 70 HH11 ARG 70 9.793 2.424 9.861 532 HH12 ARG 70 HH12 ARG 70 11.460 2.873 10.006 533 HH21 ARG 70 HH21 ARG 70 12.332 1.664 6.875 534 HH22 ARG 70 HH22 ARG 70 12.898 2.442 8.315 535 H SER 71 H SER 71 5.160 -0.350 7.559 536 HA SER 71 HA SER 71 5.119 -2.936 8.736 537 HB2 SER 71 HB3 SER 71 4.196 -0.828 9.772 538 HB3 SER 71 HB2 SER 71 2.821 -0.957 8.680 539 HG SER 71 HG SER 71 2.830 -1.988 10.943 540 H ILE 72 H ILE 72 3.137 -1.499 6.172 541 HA ILE 72 HA ILE 72 1.306 -3.659 5.870 542 HB ILE 72 HB ILE 72 2.351 -1.709 3.793 543 HG12 ILE 72 HG13 ILE 72 -0.131 -1.569 5.534 544 HG13 ILE 72 HG12 ILE 72 1.354 -0.674 5.855 545 HG21 ILE 72 HG21 ILE 72 0.089 -2.187 2.762 546 HG22 ILE 72 HG22 ILE 72 -0.068 -3.521 3.905 547 HG23 ILE 72 HG23 ILE 72 1.227 -3.532 2.708 548 HD11 ILE 72 HD11 ILE 72 0.130 0.899 4.649 549 HD12 ILE 72 HD12 ILE 72 -0.622 -0.323 3.623 550 HD13 ILE 72 HD13 ILE 72 1.063 0.131 3.364 551 H ASP 73 H ASP 73 4.514 -3.021 4.508 552 HA ASP 73 HA ASP 73 4.631 -5.076 2.582 553 HB2 ASP 73 HB3 ASP 73 6.399 -3.301 3.077 554 HB3 ASP 73 HB2 ASP 73 6.927 -4.327 4.409 555 H ALA 74 H ALA 74 5.135 -5.231 6.098 556 HA ALA 74 HA ALA 74 6.016 -7.958 6.150 557 HB1 ALA 74 HB1 ALA 74 5.573 -7.895 8.509 558 HB2 ALA 74 HB2 ALA 74 4.412 -6.581 8.317 559 HB3 ALA 74 HB3 ALA 74 6.131 -6.282 8.064 560 H PHE 75 H PHE 75 2.779 -6.506 6.430 561 HA PHE 75 HA PHE 75 1.393 -8.993 6.790 562 HB2 PHE 75 HB3 PHE 75 0.397 -6.756 7.259 563 HB3 PHE 75 HB2 PHE 75 0.356 -6.450 5.525 564 HD1 PHE 75 HD1 PHE 75 -0.981 -8.586 8.240 565 HD2 PHE 75 HD2 PHE 75 -1.282 -7.485 4.100 566 HE1 PHE 75 HE1 PHE 75 -3.133 -9.806 8.073 567 HE2 PHE 75 HE2 PHE 75 -3.434 -8.705 3.931 568 HZ PHE 75 HZ PHE 75 -4.360 -9.866 5.918 569 H VAL 76 H VAL 76 2.068 -7.038 3.884 570 HA VAL 76 HA VAL 76 0.771 -8.798 2.044 571 HB VAL 76 HB VAL 76 2.994 -6.772 1.706 572 HG11 VAL 76 HG11 VAL 76 1.933 -7.036 -0.761 573 HG12 VAL 76 HG12 VAL 76 1.755 -8.692 -0.184 574 HG13 VAL 76 HG13 VAL 76 3.348 -7.939 -0.225 575 HG21 VAL 76 HG21 VAL 76 0.008 -6.763 1.177 576 HG22 VAL 76 HG22 VAL 76 1.103 -5.497 0.621 577 HG23 VAL 76 HG23 VAL 76 0.882 -5.776 2.348 578 H VAL 77 H VAL 77 4.159 -8.595 3.170 579 HA VAL 77 HA VAL 77 5.192 -10.593 1.423 580 HB VAL 77 HB VAL 77 6.043 -9.660 4.173 581 HG11 VAL 77 HG11 VAL 77 7.072 -11.823 2.409 582 HG12 VAL 77 HG12 VAL 77 7.124 -11.683 4.165 583 HG13 VAL 77 HG13 VAL 77 8.267 -10.778 3.174 584 HG21 VAL 77 HG21 VAL 77 6.220 -8.506 1.619 585 HG22 VAL 77 HG22 VAL 77 7.823 -9.174 1.923 586 HG23 VAL 77 HG23 VAL 77 7.120 -8.018 3.054 587 H GLY 78 H GLY 78 3.801 -10.824 4.693 588 HA2 GLY 78 HA3 GLY 78 4.275 -13.602 5.079 589 HA3 GLY 78 HA2 GLY 78 2.997 -12.683 5.870 590 H ALA 79 H ALA 79 1.624 -11.911 3.426 591 HA ALA 79 HA ALA 79 0.280 -14.493 2.923 592 HB1 ALA 79 HB1 ALA 79 -1.586 -13.240 2.205 593 HB2 ALA 79 HB2 ALA 79 -0.603 -11.817 1.857 594 HB3 ALA 79 HB3 ALA 79 -0.917 -12.285 3.529 595 H THR 80 H THR 80 1.598 -11.791 0.994 596 HA THR 80 HA THR 80 2.022 -13.750 -1.224 597 HB THR 80 HB THR 80 1.201 -10.861 -1.554 598 HG1 THR 80 HG1 THR 80 -0.800 -11.566 -1.760 599 HG21 THR 80 HG21 THR 80 0.719 -11.791 -3.916 600 HG22 THR 80 HG22 THR 80 1.748 -13.143 -3.442 601 HG23 THR 80 HG23 THR 80 2.404 -11.506 -3.479 602 H THR 81 H THR 81 4.008 -13.613 -2.241 603 HA THR 81 HA THR 81 5.811 -11.389 -1.393 604 HB THR 81 HB THR 81 6.639 -13.243 -0.189 605 HG1 THR 81 HG1 THR 81 8.015 -13.489 -2.642 606 HG21 THR 81 HG21 THR 81 7.046 -15.436 -1.611 607 HG22 THR 81 HG22 THR 81 5.756 -14.766 -2.610 608 HG23 THR 81 HG23 THR 81 5.464 -15.108 -0.904 609 HA PRO 82 HA PRO 82 5.771 -11.610 -5.983 610 HB2 PRO 82 HB3 PRO 82 5.549 -8.930 -6.422 611 HB3 PRO 82 HB2 PRO 82 4.154 -9.976 -6.101 612 HG2 PRO 82 HG3 PRO 82 5.493 -8.028 -4.339 613 HG3 PRO 82 HG2 PRO 82 3.811 -8.573 -4.354 614 HD2 PRO 82 HD3 PRO 82 5.832 -9.434 -2.572 615 HD3 PRO 82 HD2 PRO 82 4.230 -10.170 -2.784 616 HA PRO 83 HA PRO 83 10.031 -10.709 -6.725 617 HB2 PRO 83 HB3 PRO 83 9.900 -9.575 -9.263 618 HB3 PRO 83 HB2 PRO 83 9.892 -11.316 -8.924 619 HG2 PRO 83 HG3 PRO 83 7.632 -9.502 -9.558 620 HG3 PRO 83 HG2 PRO 83 7.883 -11.199 -10.000 621 HD2 PRO 83 HD3 PRO 83 6.170 -10.446 -8.021 622 HD3 PRO 83 HD2 PRO 83 7.053 -11.989 -7.984 623 H VAL 84 H VAL 84 11.542 -8.968 -6.612 624 HA VAL 84 HA VAL 84 10.281 -6.326 -6.099 625 HB VAL 84 HB VAL 84 13.110 -7.267 -5.540 626 HG11 VAL 84 HG11 VAL 84 13.121 -4.895 -5.629 627 HG12 VAL 84 HG12 VAL 84 12.943 -5.273 -3.916 628 HG13 VAL 84 HG13 VAL 84 11.538 -4.779 -4.861 629 HG21 VAL 84 HG21 VAL 84 10.547 -7.367 -3.981 630 HG22 VAL 84 HG22 VAL 84 12.060 -7.097 -3.116 631 HG23 VAL 84 HG23 VAL 84 11.843 -8.561 -4.074 632 H GLU 85 H GLU 85 10.572 -4.643 -7.464 633 HA GLU 85 HA GLU 85 12.687 -4.858 -9.557 634 HB2 GLU 85 HB3 GLU 85 9.877 -3.765 -9.891 635 HB3 GLU 85 HB2 GLU 85 11.127 -3.772 -11.134 636 HG2 GLU 85 HG3 GLU 85 11.226 -6.253 -10.987 637 HG3 GLU 85 HG2 GLU 85 9.912 -6.214 -9.810 638 H ALA 86 H ALA 86 13.304 -2.658 -10.424 639 HA ALA 86 HA ALA 86 14.002 -0.871 -8.351 640 HB1 ALA 86 HB1 ALA 86 15.050 -0.885 -10.612 641 HB2 ALA 86 HB2 ALA 86 14.542 0.731 -10.123 642 HB3 ALA 86 HB3 ALA 86 13.572 -0.185 -11.277 643 H LYS 87 H LYS 87 12.995 0.956 -7.490 644 HA LYS 87 HA LYS 87 10.159 1.076 -7.470 645 HB2 LYS 87 HB3 LYS 87 11.680 2.091 -5.743 646 HB3 LYS 87 HB2 LYS 87 12.053 3.373 -6.896 647 HG2 LYS 87 HG3 LYS 87 9.645 3.946 -7.022 648 HG3 LYS 87 HG2 LYS 87 9.296 2.692 -5.831 649 HD2 LYS 87 HD3 LYS 87 10.865 3.859 -4.247 650 HD3 LYS 87 HD2 LYS 87 10.988 5.171 -5.419 651 HE2 LYS 87 HE3 LYS 87 8.557 4.269 -3.872 652 HE3 LYS 87 HE2 LYS 87 9.282 5.875 -3.933 653 HZ1 LYS 87 HZ1 LYS 87 7.477 4.583 -5.801 654 HZ2 LYS 87 HZ2 LYS 87 8.740 5.475 -6.505 655 HZ3 LYS 87 HZ3 LYS 87 7.661 6.227 -5.430 656 H LEU 88 H LEU 88 12.537 2.758 -9.480 657 HA LEU 88 HA LEU 88 10.798 4.656 -10.681 658 HB2 LEU 88 HB3 LEU 88 13.124 3.200 -11.978 659 HB3 LEU 88 HB2 LEU 88 12.425 4.729 -12.514 660 HG LEU 88 HG LEU 88 13.802 4.223 -9.858 661 HD11 LEU 88 HD11 LEU 88 15.662 5.206 -10.748 662 HD12 LEU 88 HD12 LEU 88 14.721 6.318 -11.743 663 HD13 LEU 88 HD13 LEU 88 14.973 4.656 -12.275 664 HD21 LEU 88 HD21 LEU 88 12.227 5.845 -9.302 665 HD22 LEU 88 HD22 LEU 88 12.168 6.495 -10.941 666 HD23 LEU 88 HD23 LEU 88 13.542 6.861 -9.895 667 H GLN 89 H GLN 89 11.350 1.235 -11.390 668 HA GLN 89 HA GLN 89 9.672 1.298 -13.787 669 HB2 GLN 89 HB3 GLN 89 10.796 -1.011 -12.172 670 HB3 GLN 89 HB2 GLN 89 9.940 -1.184 -13.704 671 HG2 GLN 89 HG3 GLN 89 11.632 0.194 -14.830 672 HG3 GLN 89 HG2 GLN 89 12.479 0.424 -13.299 673 HE21 GLN 89 HE21 GLN 89 13.785 -0.819 -15.519 674 HE22 GLN 89 HE22 GLN 89 14.057 -2.451 -15.140 675 H3 7V9 101 1H1 NIA 101 -10.764 1.357 7.857 676 H4 7V9 101 2H1 NIA 101 -12.100 0.859 8.896 677 H5 7V9 101 1HE1 NIA 101 -10.882 2.428 11.365 678 H6 7V9 101 2HE1 NIA 101 -10.046 1.031 12.043 679 H7 7V9 101 3HE1 NIA 101 -11.695 0.865 11.443 680 H8 7V9 101 2HE2 NIA 101 -8.943 2.740 10.016 681 H9 7V9 101 3HE2 NIA 101 -8.616 1.693 8.635 682 H10 7V9 101 1HE2 NIA 101 -8.099 1.210 10.250 683 H11 7V9 101 3H NIA 101 -10.958 -0.982 9.617 684 H12 7V9 101 3HO NIA 101 -8.545 -1.260 10.841 685 H13 7V9 101 5H NIA 101 -7.327 -1.634 9.201 686 H14 7V9 101 1H6 NIA 101 -7.847 -3.884 8.766 687 H15 7V9 101 2H6 NIA 101 -9.457 -3.436 9.321 688 H16 7V9 101 1H7 NIA 101 -9.204 -2.419 6.687 689 H17 7V9 101 2H7 NIA 101 -10.222 -3.754 7.227 690 H18 7V9 101 9H NIA 101 -6.664 -3.273 6.408 691 H19 7V9 101 1H10 NIA 101 -7.684 -4.785 4.037 692 H20 7V9 101 2H10 NIA 101 -6.966 -3.178 3.924 693 H21 7V9 101 1H11 NIA 101 -5.656 -5.780 3.990 694 H22 7V9 101 2H11 NIA 101 -5.029 -4.703 5.239 695 H25 7V9 101 5H1 NIA 101 -1.751 -4.464 2.058 696 H26 7V9 101 7H1 NIA 101 -1.481 -3.037 -1.877 697 H27 7V9 101 8H1 NIA 101 -3.863 -3.598 -2.287 698 H28 7V9 101 9H1 NIA 101 -5.185 -4.667 -0.485 Start of MODEL 10 1 H1 MET 1 H1 MET 1 12.154 -0.993 3.321 2 H2 MET 1 H2 MET 1 11.456 -1.606 1.897 3 H3 MET 1 H3 MET 1 12.973 -0.842 1.843 4 HA MET 1 HA MET 1 14.033 -2.598 2.968 5 HB2 MET 1 HB3 MET 1 11.247 -3.728 3.384 6 HB3 MET 1 HB2 MET 1 12.752 -4.484 3.902 7 HG2 MET 1 HG3 MET 1 11.683 -1.810 4.855 8 HG3 MET 1 HG2 MET 1 11.712 -3.306 5.787 9 HE1 MET 1 HE1 MET 1 15.204 -4.112 6.563 10 HE2 MET 1 HE2 MET 1 14.867 -4.446 4.867 11 HE3 MET 1 HE3 MET 1 13.605 -4.686 6.072 12 H GLN 2 H GLN 2 12.596 -5.258 2.298 13 HA GLN 2 HA GLN 2 13.757 -5.684 -0.247 14 HB2 GLN 2 HB3 GLN 2 13.022 -7.477 1.352 15 HB3 GLN 2 HB2 GLN 2 11.353 -7.141 0.890 16 HG2 GLN 2 HG3 GLN 2 12.069 -8.977 -0.472 17 HG3 GLN 2 HG2 GLN 2 12.063 -7.556 -1.518 18 HE21 GLN 2 HE21 GLN 2 13.832 -7.857 -2.905 19 HE22 GLN 2 HE22 GLN 2 15.407 -8.224 -2.386 20 H HIS 3 H HIS 3 10.425 -4.768 0.619 21 HA HIS 3 HA HIS 3 10.072 -3.843 -2.186 22 HB2 HIS 3 HB3 HIS 3 8.036 -5.510 -0.676 23 HB3 HIS 3 HB2 HIS 3 7.831 -4.835 -2.293 24 HD1 HIS 3 HD1 HIS 3 9.864 -5.634 -4.033 25 HD2 HIS 3 HD2 HIS 3 9.073 -8.070 -0.741 26 HE1 HIS 3 HE1 HIS 3 10.866 -7.901 -4.561 27 HE2 HIS 3 HE2 HIS 3 10.389 -9.391 -2.564 28 H ALA 4 H ALA 4 10.195 -2.921 0.889 29 HA ALA 4 HA ALA 4 7.753 -1.561 1.416 30 HB1 ALA 4 HB1 ALA 4 10.325 -0.273 2.218 31 HB2 ALA 4 HB2 ALA 4 9.993 -1.889 2.842 32 HB3 ALA 4 HB3 ALA 4 8.872 -0.569 3.174 33 H SER 5 H SER 5 10.596 -0.606 -0.477 34 HA SER 5 HA SER 5 9.875 2.112 -0.914 35 HB2 SER 5 HB3 SER 5 11.285 0.256 -2.852 36 HB3 SER 5 HB2 SER 5 11.347 2.016 -2.858 37 HG SER 5 HG SER 5 12.483 0.170 -1.069 38 H VAL 6 H VAL 6 8.878 -0.868 -2.525 39 HA VAL 6 HA VAL 6 7.470 0.363 -4.700 40 HB VAL 6 HB VAL 6 7.034 -2.294 -3.321 41 HG11 VAL 6 HG11 VAL 6 5.912 -2.861 -5.535 42 HG12 VAL 6 HG12 VAL 6 5.902 -1.130 -5.874 43 HG13 VAL 6 HG13 VAL 6 5.010 -1.764 -4.490 44 HG21 VAL 6 HG21 VAL 6 8.847 -1.288 -5.447 45 HG22 VAL 6 HG22 VAL 6 8.096 -2.855 -5.742 46 HG23 VAL 6 HG23 VAL 6 9.081 -2.608 -4.301 47 H ILE 7 H ILE 7 6.518 -0.497 -1.402 48 HA ILE 7 HA ILE 7 3.727 -0.055 -1.681 49 HB ILE 7 HB ILE 7 5.497 0.451 0.726 50 HG12 ILE 7 HG13 ILE 7 3.856 -1.988 -0.026 51 HG13 ILE 7 HG12 ILE 7 5.594 -1.852 -0.295 52 HG21 ILE 7 HG21 ILE 7 3.207 -0.190 1.845 53 HG22 ILE 7 HG22 ILE 7 2.521 0.326 0.305 54 HG23 ILE 7 HG23 ILE 7 3.456 1.461 1.278 55 HD11 ILE 7 HD11 ILE 7 4.093 -2.219 2.245 56 HD12 ILE 7 HD12 ILE 7 5.507 -1.167 2.312 57 HD13 ILE 7 HD13 ILE 7 5.675 -2.834 1.769 58 H ALA 8 H ALA 8 6.306 2.228 -0.715 59 HA ALA 8 HA ALA 8 4.571 4.499 -0.485 60 HB1 ALA 8 HB1 ALA 8 6.500 5.731 -0.175 61 HB2 ALA 8 HB2 ALA 8 7.374 4.875 -1.445 62 HB3 ALA 8 HB3 ALA 8 7.150 4.121 0.134 63 H GLN 9 H GLN 9 6.535 3.255 -3.163 64 HA GLN 9 HA GLN 9 5.792 5.277 -5.060 65 HB2 GLN 9 HB3 GLN 9 7.739 3.755 -5.341 66 HB3 GLN 9 HB2 GLN 9 6.629 2.401 -5.548 67 HG2 GLN 9 HG3 GLN 9 5.723 4.361 -7.339 68 HG3 GLN 9 HG2 GLN 9 7.478 4.377 -7.492 69 HE21 GLN 9 HE21 GLN 9 4.837 1.926 -7.196 70 HE22 GLN 9 HE22 GLN 9 5.505 0.860 -8.336 71 H PHE 10 H PHE 10 4.415 2.149 -4.193 72 HA PHE 10 HA PHE 10 2.484 1.990 -6.290 73 HB2 PHE 10 HB3 PHE 10 3.196 0.113 -4.778 74 HB3 PHE 10 HB2 PHE 10 2.275 0.871 -3.481 75 HD1 PHE 10 HD1 PHE 10 1.950 -0.483 -6.949 76 HD2 PHE 10 HD2 PHE 10 -0.036 0.466 -3.260 77 HE1 PHE 10 HE1 PHE 10 -0.098 -1.622 -7.758 78 HE2 PHE 10 HE2 PHE 10 -2.087 -0.670 -4.072 79 HZ PHE 10 HZ PHE 10 -2.115 -1.716 -6.320 80 H VAL 11 H VAL 11 2.124 3.101 -2.911 81 HA VAL 11 HA VAL 11 -0.585 4.024 -3.359 82 HB VAL 11 HB VAL 11 -0.427 4.919 -1.106 83 HG11 VAL 11 HG11 VAL 11 -0.407 2.346 -1.655 84 HG12 VAL 11 HG12 VAL 11 -0.166 2.886 0.007 85 HG13 VAL 11 HG13 VAL 11 1.218 2.414 -0.976 86 HG21 VAL 11 HG21 VAL 11 1.645 5.987 -0.936 87 HG22 VAL 11 HG22 VAL 11 2.514 4.618 -1.629 88 HG23 VAL 11 HG23 VAL 11 1.911 4.532 0.026 89 H VAL 12 H VAL 12 2.590 5.638 -3.182 90 HA VAL 12 HA VAL 12 1.611 8.311 -3.363 91 HB VAL 12 HB VAL 12 4.234 7.125 -4.277 92 HG11 VAL 12 HG11 VAL 12 4.788 9.719 -3.804 93 HG12 VAL 12 HG12 VAL 12 3.125 9.881 -4.367 94 HG13 VAL 12 HG13 VAL 12 4.337 9.122 -5.400 95 HG21 VAL 12 HG21 VAL 12 3.812 8.873 -1.872 96 HG22 VAL 12 HG22 VAL 12 5.059 7.659 -2.157 97 HG23 VAL 12 HG23 VAL 12 3.412 7.160 -1.773 98 H GLU 13 H GLU 13 2.366 5.930 -5.861 99 HA GLU 13 HA GLU 13 2.295 7.635 -8.117 100 HB2 GLU 13 HB3 GLU 13 2.939 5.214 -8.145 101 HB3 GLU 13 HB2 GLU 13 1.236 4.810 -7.980 102 HG2 GLU 13 HG3 GLU 13 0.769 6.097 -10.068 103 HG3 GLU 13 HG2 GLU 13 2.505 6.341 -10.250 104 H GLU 14 H GLU 14 -0.322 6.138 -6.286 105 HA GLU 14 HA GLU 14 -2.429 6.876 -8.090 106 HB2 GLU 14 HB3 GLU 14 -2.637 5.152 -6.297 107 HB3 GLU 14 HB2 GLU 14 -2.595 6.444 -5.097 108 HG2 GLU 14 HG3 GLU 14 -4.585 7.474 -6.187 109 HG3 GLU 14 HG2 GLU 14 -4.656 6.100 -7.291 110 H PHE 15 H PHE 15 -0.937 8.549 -5.336 111 HA PHE 15 HA PHE 15 -2.870 10.766 -5.595 112 HB2 PHE 15 HB3 PHE 15 -0.462 10.541 -3.770 113 HB3 PHE 15 HB2 PHE 15 -1.793 11.689 -3.627 114 HD1 PHE 15 HD1 PHE 15 -0.593 8.439 -2.749 115 HD2 PHE 15 HD2 PHE 15 -4.179 10.717 -3.360 116 HE1 PHE 15 HE1 PHE 15 -1.876 6.756 -1.462 117 HE2 PHE 15 HE2 PHE 15 -5.467 9.039 -2.063 118 HZ PHE 15 HZ PHE 15 -4.316 7.058 -1.116 119 H LEU 16 H LEU 16 0.723 10.615 -5.533 120 HA LEU 16 HA LEU 16 0.703 12.823 -7.559 121 HB2 LEU 16 HB3 LEU 16 2.231 12.512 -5.005 122 HB3 LEU 16 HB2 LEU 16 3.010 13.332 -6.357 123 HG LEU 16 HG LEU 16 0.212 14.138 -5.753 124 HD11 LEU 16 HD11 LEU 16 2.576 14.819 -3.982 125 HD12 LEU 16 HD12 LEU 16 1.084 14.016 -3.495 126 HD13 LEU 16 HD13 LEU 16 1.055 15.711 -3.979 127 HD21 LEU 16 HD21 LEU 16 1.508 15.174 -7.571 128 HD22 LEU 16 HD22 LEU 16 2.775 15.621 -6.428 129 HD23 LEU 16 HD23 LEU 16 1.178 16.360 -6.307 130 HA PRO 17 HA PRO 17 3.260 9.387 -9.221 131 HB2 PRO 17 HB3 PRO 17 2.033 9.290 -11.672 132 HB3 PRO 17 HB2 PRO 17 1.493 8.368 -10.260 133 HG2 PRO 17 HG3 PRO 17 0.281 10.696 -11.535 134 HG3 PRO 17 HG2 PRO 17 -0.436 9.492 -10.457 135 HD2 PRO 17 HD3 PRO 17 0.401 12.152 -9.787 136 HD3 PRO 17 HD2 PRO 17 -0.256 10.914 -8.697 137 H ASP 18 H ASP 18 2.467 12.579 -10.385 138 HA ASP 18 HA ASP 18 4.436 12.600 -12.527 139 HB2 ASP 18 HB3 ASP 18 2.942 14.809 -11.104 140 HB3 ASP 18 HB2 ASP 18 4.007 15.076 -12.478 141 H VAL 19 H VAL 19 4.675 12.548 -9.223 142 HA VAL 19 HA VAL 19 7.252 14.068 -9.236 143 HB VAL 19 HB VAL 19 5.502 13.343 -6.863 144 HG11 VAL 19 HG11 VAL 19 7.297 13.928 -5.639 145 HG12 VAL 19 HG12 VAL 19 7.268 15.526 -6.386 146 HG13 VAL 19 HG13 VAL 19 8.219 14.231 -7.112 147 HG21 VAL 19 HG21 VAL 19 5.747 15.845 -8.540 148 HG22 VAL 19 HG22 VAL 19 5.174 15.906 -6.872 149 HG23 VAL 19 HG23 VAL 19 4.283 14.978 -8.077 150 H ALA 20 H ALA 20 9.106 12.934 -8.581 151 HA ALA 20 HA ALA 20 9.085 10.105 -8.807 152 HB1 ALA 20 HB1 ALA 20 11.246 10.730 -9.098 153 HB2 ALA 20 HB2 ALA 20 11.358 10.632 -7.340 154 HB3 ALA 20 HB3 ALA 20 11.042 12.183 -8.118 155 HA PRO 21 HA PRO 21 7.357 9.449 -4.667 156 HB2 PRO 21 HB3 PRO 21 7.533 6.689 -4.677 157 HB3 PRO 21 HB2 PRO 21 6.185 7.619 -5.361 158 HG2 PRO 21 HG3 PRO 21 8.454 6.298 -6.721 159 HG3 PRO 21 HG2 PRO 21 6.790 6.548 -7.268 160 HD2 PRO 21 HD3 PRO 21 8.930 8.023 -8.152 161 HD3 PRO 21 HD2 PRO 21 7.256 8.622 -8.153 162 H ALA 22 H ALA 22 10.393 8.132 -5.820 163 HA ALA 22 HA ALA 22 11.378 7.261 -3.244 164 HB1 ALA 22 HB1 ALA 22 13.634 7.830 -4.693 165 HB2 ALA 22 HB2 ALA 22 12.447 7.590 -5.976 166 HB3 ALA 22 HB3 ALA 22 12.744 6.311 -4.798 167 H ASP 23 H ASP 23 10.959 10.328 -4.711 168 HA ASP 23 HA ASP 23 13.058 11.673 -3.163 169 HB2 ASP 23 HB3 ASP 23 10.788 12.734 -4.875 170 HB3 ASP 23 HB2 ASP 23 11.999 13.752 -4.095 171 H VAL 24 H VAL 24 10.146 10.351 -2.401 172 HA VAL 24 HA VAL 24 9.444 12.460 -0.419 173 HB VAL 24 HB VAL 24 7.899 9.965 -1.190 174 HG11 VAL 24 HG11 VAL 24 7.315 12.384 0.520 175 HG12 VAL 24 HG12 VAL 24 7.171 10.681 0.950 176 HG13 VAL 24 HG13 VAL 24 6.019 11.407 -0.170 177 HG21 VAL 24 HG21 VAL 24 6.482 11.503 -2.505 178 HG22 VAL 24 HG22 VAL 24 8.142 11.516 -3.099 179 HG23 VAL 24 HG23 VAL 24 7.555 12.842 -2.096 180 H ASP 25 H ASP 25 9.657 12.025 1.781 181 HA ASP 25 HA ASP 25 11.420 9.886 2.553 182 HB2 ASP 25 HB3 ASP 25 11.166 12.081 3.771 183 HB3 ASP 25 HB2 ASP 25 9.604 11.508 4.360 184 H VAL 26 H VAL 26 10.497 7.893 1.974 185 HA VAL 26 HA VAL 26 7.801 7.114 2.482 186 HB VAL 26 HB VAL 26 8.577 4.833 2.143 187 HG11 VAL 26 HG11 VAL 26 8.797 6.810 0.315 188 HG12 VAL 26 HG12 VAL 26 9.198 5.131 -0.043 189 HG13 VAL 26 HG13 VAL 26 10.476 6.274 0.368 190 HG21 VAL 26 HG21 VAL 26 11.143 6.037 3.054 191 HG22 VAL 26 HG22 VAL 26 11.253 4.791 1.811 192 HG23 VAL 26 HG23 VAL 26 10.486 4.429 3.356 193 H ASP 27 H ASP 27 10.047 8.027 4.704 194 HA ASP 27 HA ASP 27 9.399 6.000 6.747 195 HB2 ASP 27 HB3 ASP 27 11.039 8.550 6.866 196 HB3 ASP 27 HB2 ASP 27 10.841 7.430 8.213 197 H LEU 28 H LEU 28 7.612 8.300 5.438 198 HA LEU 28 HA LEU 28 6.691 9.659 7.883 199 HB2 LEU 28 HB3 LEU 28 6.786 10.836 5.679 200 HB3 LEU 28 HB2 LEU 28 5.539 9.746 5.084 201 HG LEU 28 HG LEU 28 4.074 10.499 6.993 202 HD11 LEU 28 HD11 LEU 28 6.490 12.215 7.458 203 HD12 LEU 28 HD12 LEU 28 5.440 11.419 8.630 204 HD13 LEU 28 HD13 LEU 28 4.897 12.883 7.810 205 HD21 LEU 28 HD21 LEU 28 3.901 11.443 4.690 206 HD22 LEU 28 HD22 LEU 28 5.042 12.706 5.149 207 HD23 LEU 28 HD23 LEU 28 3.465 12.617 5.930 208 H ASP 29 H ASP 29 4.914 9.063 9.046 209 HA ASP 29 HA ASP 29 3.792 6.465 8.703 210 HB2 ASP 29 HB3 ASP 29 2.747 8.869 10.234 211 HB3 ASP 29 HB2 ASP 29 2.091 7.237 10.375 212 H LEU 30 H LEU 30 2.328 5.825 7.201 213 HA LEU 30 HA LEU 30 1.177 7.580 5.303 214 HB2 LEU 30 HB3 LEU 30 0.128 4.864 6.169 215 HB3 LEU 30 HB2 LEU 30 -0.268 5.694 4.663 216 HG LEU 30 HG LEU 30 2.489 4.753 5.507 217 HD11 LEU 30 HD11 LEU 30 1.885 2.820 4.522 218 HD12 LEU 30 HD12 LEU 30 1.643 3.698 3.012 219 HD13 LEU 30 HD13 LEU 30 0.298 3.483 4.133 220 HD21 LEU 30 HD21 LEU 30 1.479 6.513 3.304 221 HD22 LEU 30 HD22 LEU 30 2.788 5.392 2.932 222 HD23 LEU 30 HD23 LEU 30 2.995 6.600 4.199 223 H VAL 31 H VAL 31 0.365 7.152 8.569 224 HA VAL 31 HA VAL 31 -2.426 7.363 8.646 225 HB VAL 31 HB VAL 31 -0.425 8.849 10.377 226 HG11 VAL 31 HG11 VAL 31 -2.472 8.517 12.014 227 HG12 VAL 31 HG12 VAL 31 -3.394 8.450 10.513 228 HG13 VAL 31 HG13 VAL 31 -2.440 9.882 10.899 229 HG21 VAL 31 HG21 VAL 31 -0.678 6.143 10.089 230 HG22 VAL 31 HG22 VAL 31 -1.834 6.455 11.384 231 HG23 VAL 31 HG23 VAL 31 -0.148 6.936 11.572 232 H ASP 32 H ASP 32 -0.033 9.953 8.212 233 HA ASP 32 HA ASP 32 -1.846 12.133 8.040 234 HB2 ASP 32 HB3 ASP 32 0.683 12.298 8.060 235 HB3 ASP 32 HB2 ASP 32 0.666 11.786 6.372 236 H ASN 33 H ASN 33 -0.836 9.714 5.702 237 HA ASN 33 HA ASN 33 -2.531 10.880 3.591 238 HB2 ASN 33 HB3 ASN 33 -0.785 8.413 3.641 239 HB3 ASN 33 HB2 ASN 33 -1.682 8.971 2.230 240 HD21 ASN 33 HD21 ASN 33 1.116 8.818 2.076 241 HD22 ASN 33 HD22 ASN 33 1.769 10.382 2.034 242 H GLY 34 H GLY 34 -3.526 9.663 6.191 243 HA2 GLY 34 HA3 GLY 34 -4.690 7.181 6.016 244 HA3 GLY 34 HA2 GLY 34 -5.539 8.552 6.729 245 H VAL 35 H VAL 35 -5.218 9.781 3.853 246 HA VAL 35 HA VAL 35 -7.866 9.368 2.969 247 HB VAL 35 HB VAL 35 -5.358 10.048 1.405 248 HG11 VAL 35 HG11 VAL 35 -6.919 9.130 -0.183 249 HG12 VAL 35 HG12 VAL 35 -7.009 10.886 -0.324 250 HG13 VAL 35 HG13 VAL 35 -8.264 10.005 0.550 251 HG21 VAL 35 HG21 VAL 35 -7.662 11.878 2.039 252 HG22 VAL 35 HG22 VAL 35 -5.979 12.288 1.708 253 HG23 VAL 35 HG23 VAL 35 -6.424 11.570 3.257 254 H ILE 36 H ILE 36 -4.920 7.553 2.285 255 HA ILE 36 HA ILE 36 -6.070 5.801 0.303 256 HB ILE 36 HB ILE 36 -3.565 6.291 0.891 257 HG12 ILE 36 HG13 ILE 36 -4.690 3.560 0.218 258 HG13 ILE 36 HG12 ILE 36 -4.101 4.792 -0.902 259 HG21 ILE 36 HG21 ILE 36 -4.036 5.454 3.294 260 HG22 ILE 36 HG22 ILE 36 -2.558 4.895 2.511 261 HG23 ILE 36 HG23 ILE 36 -3.966 3.836 2.597 262 HD11 ILE 36 HD11 ILE 36 -2.208 3.508 -0.835 263 HD12 ILE 36 HD12 ILE 36 -2.572 2.867 0.767 264 HD13 ILE 36 HD13 ILE 36 -1.887 4.483 0.599 265 H ASP 37 H ASP 37 -6.224 5.910 3.755 266 HA ASP 37 HA ASP 37 -6.497 3.192 4.422 267 HB2 ASP 37 HB3 ASP 37 -7.914 5.581 5.626 268 HB3 ASP 37 HB2 ASP 37 -7.846 3.981 6.359 269 H SER 38 H SER 38 -8.953 5.375 3.059 270 HA SER 38 HA SER 38 -10.842 3.055 3.067 271 HB2 SER 38 2HB SER 38 -11.178 5.883 3.660 272 HB3 SER 38 1HB SER 38 -12.309 5.332 2.431 273 H LEU 39 H LEU 39 -10.393 5.991 1.061 274 HA LEU 39 HA LEU 39 -11.573 4.819 -1.243 275 HB2 LEU 39 HB3 LEU 39 -11.214 7.274 -0.884 276 HB3 LEU 39 HB2 LEU 39 -9.503 7.014 -1.196 277 HG LEU 39 HG LEU 39 -11.321 5.883 -3.231 278 HD11 LEU 39 HD11 LEU 39 -12.592 7.846 -3.037 279 HD12 LEU 39 HD12 LEU 39 -11.401 8.283 -4.262 280 HD13 LEU 39 HD13 LEU 39 -11.190 8.822 -2.596 281 HD21 LEU 39 HD21 LEU 39 -8.887 5.858 -3.505 282 HD22 LEU 39 HD22 LEU 39 -8.824 7.608 -3.294 283 HD23 LEU 39 HD23 LEU 39 -9.602 6.919 -4.718 284 H GLY 40 H GLY 40 -8.143 5.236 -0.398 285 HA2 GLY 40 HA3 GLY 40 -7.200 3.820 -2.729 286 HA3 GLY 40 HA2 GLY 40 -6.242 4.216 -1.310 287 H LEU 41 H LEU 41 -7.709 2.886 0.666 288 HA LEU 41 HA LEU 41 -6.685 0.252 0.477 289 HB2 LEU 41 HB3 LEU 41 -7.379 1.448 2.596 290 HB3 LEU 41 HB2 LEU 41 -9.052 1.112 2.159 291 HG LEU 41 HG LEU 41 -7.208 -1.218 2.108 292 HD11 LEU 41 HD11 LEU 41 -7.890 0.339 4.591 293 HD12 LEU 41 HD12 LEU 41 -6.349 -0.384 4.128 294 HD13 LEU 41 HD13 LEU 41 -7.678 -1.411 4.665 295 HD21 LEU 41 HD21 LEU 41 -10.005 -0.692 3.169 296 HD22 LEU 41 HD22 LEU 41 -9.210 -2.265 3.193 297 HD23 LEU 41 HD23 LEU 41 -9.594 -1.496 1.654 298 H LEU 42 H LEU 42 -9.910 1.537 -0.260 299 HA LEU 42 HA LEU 42 -11.191 -0.962 -0.735 300 HB2 LEU 42 HB3 LEU 42 -12.367 1.252 -0.623 301 HB3 LEU 42 HB2 LEU 42 -11.682 1.649 -2.191 302 HG LEU 42 HG LEU 42 -12.749 -0.455 -3.098 303 HD11 LEU 42 HD11 LEU 42 -13.581 -1.891 -1.580 304 HD12 LEU 42 HD12 LEU 42 -14.866 -0.722 -1.277 305 HD13 LEU 42 HD13 LEU 42 -13.410 -0.705 -0.287 306 HD21 LEU 42 HD21 LEU 42 -13.965 2.077 -2.357 307 HD22 LEU 42 HD22 LEU 42 -15.171 0.791 -2.414 308 HD23 LEU 42 HD23 LEU 42 -14.177 1.133 -3.831 309 H LYS 43 H LYS 43 -9.348 1.171 -2.913 310 HA LYS 43 HA LYS 43 -9.645 -0.514 -5.227 311 HB2 LYS 43 HB3 LYS 43 -7.560 1.559 -4.524 312 HB3 LYS 43 HB2 LYS 43 -7.733 0.821 -6.111 313 HG2 LYS 43 HG3 LYS 43 -10.088 1.651 -6.196 314 HG3 LYS 43 HG2 LYS 43 -9.812 2.485 -4.666 315 HD2 LYS 43 HD3 LYS 43 -7.921 3.724 -5.732 316 HD3 LYS 43 HD2 LYS 43 -8.332 2.962 -7.268 317 HE2 LYS 43 HE3 LYS 43 -9.315 5.278 -6.924 318 HE3 LYS 43 HE2 LYS 43 -10.488 4.019 -7.313 319 HZ1 LYS 43 HZ1 LYS 43 -10.881 5.629 -5.319 320 HZ2 LYS 43 HZ2 LYS 43 -9.859 4.548 -4.496 321 HZ3 LYS 43 HZ3 LYS 43 -11.304 3.990 -5.196 322 H VAL 44 H VAL 44 -7.187 -0.253 -2.679 323 HA VAL 44 HA VAL 44 -5.340 -2.118 -3.836 324 HB VAL 44 HB VAL 44 -5.805 -1.306 -0.955 325 HG11 VAL 44 HG11 VAL 44 -3.698 -3.028 -2.263 326 HG12 VAL 44 HG12 VAL 44 -4.660 -3.377 -0.827 327 HG13 VAL 44 HG13 VAL 44 -3.380 -2.167 -0.758 328 HG21 VAL 44 HG21 VAL 44 -3.330 -0.443 -2.160 329 HG22 VAL 44 HG22 VAL 44 -4.633 0.543 -1.495 330 HG23 VAL 44 HG23 VAL 44 -4.683 0.040 -3.184 331 H ILE 45 H ILE 45 -7.976 -2.554 -1.472 332 HA ILE 45 HA ILE 45 -7.519 -5.327 -1.004 333 HB ILE 45 HB ILE 45 -9.751 -3.411 -0.610 334 HG12 ILE 45 HG13 ILE 45 -9.640 -4.248 1.641 335 HG13 ILE 45 HG12 ILE 45 -8.722 -5.665 1.132 336 HG21 ILE 45 HG21 ILE 45 -11.235 -5.375 0.082 337 HG22 ILE 45 HG22 ILE 45 -10.156 -6.397 -0.865 338 HG23 ILE 45 HG23 ILE 45 -11.065 -5.105 -1.651 339 HD11 ILE 45 HD11 ILE 45 -7.544 -3.479 2.170 340 HD12 ILE 45 HD12 ILE 45 -7.552 -3.009 0.472 341 HD13 ILE 45 HD13 ILE 45 -6.750 -4.498 0.971 342 H ALA 46 H ALA 46 -9.752 -3.724 -3.301 343 HA ALA 46 HA ALA 46 -10.604 -6.184 -4.524 344 HB1 ALA 46 HB1 ALA 46 -12.010 -4.307 -4.885 345 HB2 ALA 46 HB2 ALA 46 -11.244 -4.589 -6.448 346 HB3 ALA 46 HB3 ALA 46 -10.661 -3.295 -5.402 347 H TRP 47 H TRP 47 -7.998 -3.889 -5.230 348 HA TRP 47 HA TRP 47 -7.186 -5.136 -7.700 349 HB2 TRP 47 HB3 TRP 47 -6.457 -2.891 -7.314 350 HB3 TRP 47 HB2 TRP 47 -5.773 -3.312 -5.744 351 HD1 TRP 47 HD1 TRP 47 -5.250 -4.186 -9.475 352 HE1 TRP 47 HE1 TRP 47 -2.744 -4.670 -9.838 353 HE3 TRP 47 HE3 TRP 47 -3.563 -3.759 -4.674 354 HZ2 TRP 47 HZ2 TRP 47 -0.341 -4.849 -8.295 355 HZ3 TRP 47 HZ3 TRP 47 -1.165 -4.090 -4.149 356 HH2 TRP 47 HH2 TRP 47 0.448 -4.636 -5.953 357 H LEU 48 H LEU 48 -6.095 -5.446 -4.331 358 HA LEU 48 HA LEU 48 -3.955 -7.248 -4.803 359 HB2 LEU 48 HB3 LEU 48 -4.473 -6.062 -2.637 360 HB3 LEU 48 HB2 LEU 48 -5.787 -7.200 -2.393 361 HG LEU 48 HG LEU 48 -3.954 -9.012 -2.781 362 HD11 LEU 48 HD11 LEU 48 -2.412 -6.792 -3.209 363 HD12 LEU 48 HD12 LEU 48 -1.776 -8.365 -2.735 364 HD13 LEU 48 HD13 LEU 48 -2.077 -7.130 -1.513 365 HD21 LEU 48 HD21 LEU 48 -4.744 -9.145 -0.640 366 HD22 LEU 48 HD22 LEU 48 -4.672 -7.398 -0.405 367 HD23 LEU 48 HD23 LEU 48 -3.210 -8.370 -0.237 368 H GLU 49 H GLU 49 -7.408 -7.854 -4.158 369 HA GLU 49 HA GLU 49 -7.176 -10.721 -4.214 370 HB2 GLU 49 HB3 GLU 49 -9.105 -9.654 -3.177 371 HB3 GLU 49 HB2 GLU 49 -9.568 -8.924 -4.703 372 HG2 GLU 49 HG3 GLU 49 -9.900 -11.163 -5.673 373 HG3 GLU 49 HG2 GLU 49 -9.444 -11.893 -4.143 374 H ASP 50 H ASP 50 -7.789 -8.290 -6.716 375 HA ASP 50 HA ASP 50 -8.568 -10.061 -8.789 376 HB2 ASP 50 HB3 ASP 50 -8.633 -7.540 -8.865 377 HB3 ASP 50 HB2 ASP 50 -6.893 -7.576 -9.143 378 H ARG 51 H ARG 51 -5.329 -9.099 -7.690 379 HA ARG 51 HA ARG 51 -4.067 -10.713 -9.792 380 HB2 ARG 51 HB3 ARG 51 -2.953 -9.099 -7.489 381 HB3 ARG 51 HB2 ARG 51 -1.954 -9.975 -8.645 382 HG2 ARG 51 HG3 ARG 51 -3.016 -8.692 -10.496 383 HG3 ARG 51 HG2 ARG 51 -3.926 -7.768 -9.299 384 HD2 ARG 51 HD3 ARG 51 -1.975 -6.473 -9.888 385 HD3 ARG 51 HD2 ARG 51 -1.725 -7.103 -8.260 386 HE ARG 51 HE ARG 51 -0.517 -9.025 -9.743 387 HH11 ARG 51 HH11 ARG 51 1.589 -8.939 -10.555 388 HH12 ARG 51 HH12 ARG 51 2.312 -7.402 -10.891 389 HH21 ARG 51 HH21 ARG 51 -0.464 -5.579 -9.895 390 HH22 ARG 51 HH22 ARG 51 1.151 -5.501 -10.518 391 H PHE 52 H PHE 52 -3.874 -10.760 -6.196 392 HA PHE 52 HA PHE 52 -2.714 -13.430 -6.268 393 HB2 PHE 52 HB3 PHE 52 -3.595 -11.619 -4.019 394 HB3 PHE 52 HB2 PHE 52 -2.915 -13.223 -3.753 395 HD1 PHE 52 HD1 PHE 52 -0.603 -13.754 -4.493 396 HD2 PHE 52 HD2 PHE 52 -2.212 -9.778 -4.732 397 HE1 PHE 52 HE1 PHE 52 1.685 -12.846 -4.782 398 HE2 PHE 52 HE2 PHE 52 0.078 -8.871 -5.020 399 HZ PHE 52 HZ PHE 52 2.026 -10.407 -5.046 400 H GLY 53 H GLY 53 -5.965 -12.181 -5.947 401 HA2 GLY 53 HA3 GLY 53 -7.970 -13.463 -5.995 402 HA3 GLY 53 HA2 GLY 53 -6.985 -14.923 -5.991 403 H ILE 54 H ILE 54 -6.718 -12.326 -3.607 404 HA ILE 54 HA ILE 54 -7.389 -14.311 -1.498 405 HB ILE 54 HB ILE 54 -6.231 -11.518 -1.241 406 HG12 ILE 54 HG13 ILE 54 -4.800 -14.180 -1.029 407 HG13 ILE 54 HG12 ILE 54 -4.815 -13.207 -2.500 408 HG21 ILE 54 HG21 ILE 54 -7.262 -13.436 0.654 409 HG22 ILE 54 HG22 ILE 54 -6.634 -11.816 0.953 410 HG23 ILE 54 HG23 ILE 54 -5.536 -13.197 0.923 411 HD11 ILE 54 HD11 ILE 54 -3.812 -11.321 -1.283 412 HD12 ILE 54 HD12 ILE 54 -2.793 -12.755 -1.143 413 HD13 ILE 54 HD13 ILE 54 -3.819 -12.266 0.206 414 H ALA 55 H ALA 55 -9.205 -14.036 -0.194 415 HA ALA 55 HA ALA 55 -11.371 -12.459 -1.152 416 HB1 ALA 55 HB1 ALA 55 -11.430 -13.060 1.732 417 HB2 ALA 55 HB2 ALA 55 -11.098 -14.460 0.713 418 HB3 ALA 55 HB3 ALA 55 -12.568 -13.517 0.464 419 H ALA 56 H ALA 56 -12.143 -10.437 -0.532 420 HA ALA 56 HA ALA 56 -10.272 -8.486 0.341 421 HB1 ALA 56 HB1 ALA 56 -13.270 -8.542 0.086 422 HB2 ALA 56 HB2 ALA 56 -12.096 -7.608 -0.841 423 HB3 ALA 56 HB3 ALA 56 -12.475 -7.149 0.819 424 H ASP 57 H ASP 57 -12.621 -10.437 2.109 425 HA ASP 57 HA ASP 57 -11.940 -9.060 4.643 426 HB2 ASP 57 HB3 ASP 57 -13.936 -11.235 3.991 427 HB3 ASP 57 HB2 ASP 57 -13.694 -10.571 5.604 428 H ASP 58 H ASP 58 -10.354 -11.188 2.891 429 HA ASP 58 HA ASP 58 -9.971 -13.534 4.381 430 HB2 ASP 58 HB3 ASP 58 -8.936 -12.986 2.146 431 HB3 ASP 58 HB2 ASP 58 -7.763 -11.995 3.013 432 H VAL 59 H VAL 59 -8.714 -10.293 4.965 433 HA VAL 59 HA VAL 59 -7.552 -11.309 7.532 434 HB VAL 59 HB VAL 59 -5.816 -9.594 7.348 435 HG11 VAL 59 HG11 VAL 59 -6.177 -11.341 4.899 436 HG12 VAL 59 HG12 VAL 59 -5.240 -11.705 6.349 437 HG13 VAL 59 HG13 VAL 59 -4.693 -10.448 5.238 438 HG21 VAL 59 HG21 VAL 59 -5.645 -8.290 5.209 439 HG22 VAL 59 HG22 VAL 59 -7.068 -7.873 6.164 440 HG23 VAL 59 HG23 VAL 59 -7.230 -8.914 4.750 441 H GLU 60 H GLU 60 -7.571 -9.700 9.286 442 HA GLU 60 HA GLU 60 -10.078 -8.173 9.277 443 HB2 GLU 60 HB3 GLU 60 -9.311 -9.508 11.258 444 HB3 GLU 60 HB2 GLU 60 -7.974 -8.381 11.449 445 HG2 GLU 60 HG3 GLU 60 -9.613 -6.527 11.651 446 HG3 GLU 60 HG2 GLU 60 -10.916 -7.706 11.570 447 H LEU 61 H LEU 61 -10.177 -5.877 9.695 448 HA LEU 61 HA LEU 61 -8.122 -4.370 8.314 449 HB2 LEU 61 HB3 LEU 61 -10.362 -3.314 10.065 450 HB3 LEU 61 HB2 LEU 61 -9.493 -2.432 8.814 451 HG LEU 61 HG LEU 61 -11.313 -4.809 8.412 452 HD11 LEU 61 HD11 LEU 61 -11.829 -2.422 6.844 453 HD12 LEU 61 HD12 LEU 61 -11.837 -2.058 8.570 454 HD13 LEU 61 HD13 LEU 61 -12.911 -3.299 7.925 455 HD21 LEU 61 HD21 LEU 61 -9.647 -5.137 6.789 456 HD22 LEU 61 HD22 LEU 61 -9.368 -3.406 6.592 457 HD23 LEU 61 HD23 LEU 61 -10.825 -4.146 5.928 458 H SER 62 H SER 62 -6.427 -3.227 9.186 459 HA SER 62 HA SER 62 -6.287 -2.961 12.146 460 HB2 SER 62 HB3 SER 62 -4.600 -4.608 10.438 461 HB3 SER 62 HB2 SER 62 -3.656 -3.422 11.335 462 HG SER 62 HG SER 62 -5.640 -5.090 12.493 463 HA PRO 63 HA PRO 63 -5.570 1.117 10.049 464 HB2 PRO 63 HB3 PRO 63 -5.999 1.939 12.874 465 HB3 PRO 63 HB2 PRO 63 -6.705 2.598 11.391 466 HG2 PRO 63 HG3 PRO 63 -8.103 1.050 13.065 467 HG3 PRO 63 HG2 PRO 63 -8.358 1.025 11.313 468 HD2 PRO 63 HD3 PRO 63 -7.030 -0.997 13.047 469 HD3 PRO 63 HD2 PRO 63 -7.885 -1.217 11.505 470 H GLU 64 H GLU 64 -4.116 -0.421 12.821 471 HA GLU 64 HA GLU 64 -2.043 1.441 13.396 472 HB2 GLU 64 HB3 GLU 64 -2.631 -0.551 14.795 473 HB3 GLU 64 HB2 GLU 64 -1.881 -1.570 13.576 474 HG2 GLU 64 HG3 GLU 64 0.241 -0.324 13.883 475 HG3 GLU 64 HG2 GLU 64 -0.520 0.601 15.171 476 H HIS 65 H HIS 65 -2.513 -0.696 10.723 477 HA HIS 65 HA HIS 65 0.226 -1.017 9.923 478 HB2 HIS 65 HB3 HIS 65 -2.436 -1.521 8.794 479 HB3 HIS 65 HB2 HIS 65 -1.232 -1.097 7.579 480 HD1 HIS 65 HD1 HIS 65 -1.139 -3.558 6.702 481 HD2 HIS 65 HD2 HIS 65 -0.046 -3.145 10.708 482 HE1 HIS 65 HE1 HIS 65 -0.053 -5.746 7.381 483 HE2 HIS 65 HE2 HIS 65 0.618 -5.503 9.815 484 H PHE 66 H PHE 66 -2.076 1.598 9.506 485 HA PHE 66 HA PHE 66 -0.635 2.896 7.348 486 HB2 PHE 66 HB3 PHE 66 -2.577 4.075 9.359 487 HB3 PHE 66 HB2 PHE 66 -2.056 4.839 7.858 488 HD1 PHE 66 HD1 PHE 66 -2.239 3.107 5.738 489 HD2 PHE 66 HD2 PHE 66 -4.653 3.061 9.290 490 HE1 PHE 66 HE1 PHE 66 -4.025 1.903 4.509 491 HE2 PHE 66 HE2 PHE 66 -6.438 1.854 8.062 492 HZ PHE 66 HZ PHE 66 -6.123 1.279 5.673 493 H ARG 67 H ARG 67 -0.069 2.573 10.695 494 HA ARG 67 HA ARG 67 1.107 5.049 11.376 495 HB2 ARG 67 HB3 ARG 67 1.987 2.285 12.258 496 HB3 ARG 67 HB2 ARG 67 2.353 3.798 13.081 497 HG2 ARG 67 HG3 ARG 67 -0.470 2.874 12.556 498 HG3 ARG 67 HG2 ARG 67 0.397 2.480 14.037 499 HD2 ARG 67 HD3 ARG 67 0.800 5.004 14.282 500 HD3 ARG 67 HD2 ARG 67 -0.413 5.209 13.019 501 HE ARG 67 HE ARG 67 -1.753 3.623 14.765 502 HH11 ARG 67 HH11 ARG 67 -2.857 4.330 16.605 503 HH12 ARG 67 HH12 ARG 67 -2.358 5.789 17.392 504 HH21 ARG 67 HH21 ARG 67 0.225 6.418 15.166 505 HH22 ARG 67 HH22 ARG 67 -0.612 6.971 16.578 506 H SER 68 H SER 68 2.486 2.318 9.575 507 HA SER 68 HA SER 68 4.564 4.123 8.552 508 HB2 SER 68 HB3 SER 68 6.459 2.892 9.363 509 HB3 SER 68 HB2 SER 68 5.443 3.245 10.758 510 HG SER 68 HG SER 68 5.100 1.184 10.993 511 H ILE 69 H ILE 69 5.409 3.407 6.594 512 HA ILE 69 HA ILE 69 3.936 1.429 5.133 513 HB ILE 69 HB ILE 69 6.611 2.719 4.522 514 HG12 ILE 69 HG13 ILE 69 3.853 3.475 3.558 515 HG13 ILE 69 HG12 ILE 69 4.651 4.263 4.909 516 HG21 ILE 69 HG21 ILE 69 6.551 1.115 2.907 517 HG22 ILE 69 HG22 ILE 69 5.425 2.238 2.148 518 HG23 ILE 69 HG23 ILE 69 4.814 0.872 3.078 519 HD11 ILE 69 HD11 ILE 69 6.617 4.662 3.305 520 HD12 ILE 69 HD12 ILE 69 5.164 5.623 3.029 521 HD13 ILE 69 HD13 ILE 69 5.499 4.219 2.014 522 H ARG 70 H ARG 70 7.066 1.392 6.787 523 HA ARG 70 HA ARG 70 8.060 -1.064 5.772 524 HB2 ARG 70 HB3 ARG 70 9.341 0.586 7.157 525 HB3 ARG 70 HB2 ARG 70 8.446 0.026 8.571 526 HG2 ARG 70 HG3 ARG 70 9.263 -2.309 8.051 527 HG3 ARG 70 HG2 ARG 70 10.314 -1.596 6.825 528 HD2 ARG 70 HD3 ARG 70 10.352 -1.073 9.807 529 HD3 ARG 70 HD2 ARG 70 11.625 -1.803 8.828 530 HE ARG 70 HE ARG 70 10.851 0.938 8.083 531 HH11 ARG 70 HH11 ARG 70 12.538 2.437 8.209 532 HH12 ARG 70 HH12 ARG 70 14.015 1.997 9.000 533 HH21 ARG 70 HH21 ARG 70 12.948 -1.204 9.796 534 HH22 ARG 70 HH22 ARG 70 14.247 -0.063 9.895 535 H SER 71 H SER 71 5.959 -0.440 8.583 536 HA SER 71 HA SER 71 5.909 -3.072 9.612 537 HB2 SER 71 HB3 SER 71 3.598 -1.114 9.549 538 HB3 SER 71 HB2 SER 71 3.820 -2.441 10.681 539 HG SER 71 HG SER 71 4.606 -0.040 11.051 540 H ILE 72 H ILE 72 3.905 -1.589 7.061 541 HA ILE 72 HA ILE 72 2.253 -3.902 6.655 542 HB ILE 72 HB ILE 72 2.966 -1.648 4.755 543 HG12 ILE 72 HG13 ILE 72 0.593 -2.021 6.607 544 HG13 ILE 72 HG12 ILE 72 1.943 -0.929 6.913 545 HG21 ILE 72 HG21 ILE 72 1.757 -2.788 3.247 546 HG22 ILE 72 HG22 ILE 72 0.366 -2.686 4.329 547 HG23 ILE 72 HG23 ILE 72 1.456 -4.069 4.421 548 HD11 ILE 72 HD11 ILE 72 1.425 0.348 4.905 549 HD12 ILE 72 HD12 ILE 72 -0.029 0.226 5.896 550 HD13 ILE 72 HD13 ILE 72 0.153 -0.795 4.469 551 H ASP 73 H ASP 73 5.294 -2.793 5.199 552 HA ASP 73 HA ASP 73 5.454 -4.670 3.088 553 HB2 ASP 73 HB3 ASP 73 7.014 -2.689 3.607 554 HB3 ASP 73 HB2 ASP 73 7.844 -3.787 4.709 555 H ALA 74 H ALA 74 6.417 -5.000 6.503 556 HA ALA 74 HA ALA 74 7.596 -7.599 6.187 557 HB1 ALA 74 HB1 ALA 74 6.713 -7.613 8.772 558 HB2 ALA 74 HB2 ALA 74 6.741 -5.882 8.436 559 HB3 ALA 74 HB3 ALA 74 8.209 -6.840 8.248 560 H PHE 75 H PHE 75 4.310 -6.568 7.091 561 HA PHE 75 HA PHE 75 3.279 -9.198 7.523 562 HB2 PHE 75 HB3 PHE 75 2.125 -7.082 8.194 563 HB3 PHE 75 HB2 PHE 75 1.779 -6.784 6.493 564 HD1 PHE 75 HD1 PHE 75 1.140 -9.065 9.342 565 HD2 PHE 75 HD2 PHE 75 0.069 -8.003 5.320 566 HE1 PHE 75 HE1 PHE 75 -0.854 -10.532 9.487 567 HE2 PHE 75 HE2 PHE 75 -1.925 -9.471 5.465 568 HZ PHE 75 HZ PHE 75 -2.387 -10.734 7.548 569 H VAL 76 H VAL 76 3.211 -7.111 4.623 570 HA VAL 76 HA VAL 76 1.940 -9.054 2.945 571 HB VAL 76 HB VAL 76 3.682 -6.652 2.339 572 HG11 VAL 76 HG11 VAL 76 2.677 -6.907 0.022 573 HG12 VAL 76 HG12 VAL 76 2.177 -8.526 0.508 574 HG13 VAL 76 HG13 VAL 76 3.889 -8.111 0.455 575 HG21 VAL 76 HG21 VAL 76 1.224 -6.636 3.383 576 HG22 VAL 76 HG22 VAL 76 0.769 -6.888 1.698 577 HG23 VAL 76 HG23 VAL 76 1.703 -5.464 2.157 578 H VAL 77 H VAL 77 5.388 -8.188 3.430 579 HA VAL 77 HA VAL 77 6.442 -10.006 1.516 580 HB VAL 77 HB VAL 77 7.578 -8.873 4.082 581 HG11 VAL 77 HG11 VAL 77 9.761 -9.616 2.720 582 HG12 VAL 77 HG12 VAL 77 8.657 -10.870 2.157 583 HG13 VAL 77 HG13 VAL 77 8.974 -10.684 3.881 584 HG21 VAL 77 HG21 VAL 77 8.191 -7.114 2.798 585 HG22 VAL 77 HG22 VAL 77 7.094 -7.751 1.572 586 HG23 VAL 77 HG23 VAL 77 8.807 -8.170 1.527 587 H GLY 78 H GLY 78 5.675 -10.412 4.958 588 HA2 GLY 78 HA3 GLY 78 6.716 -13.028 5.283 589 HA3 GLY 78 HA2 GLY 78 5.391 -12.355 6.231 590 H ALA 79 H ALA 79 3.744 -11.926 3.749 591 HA ALA 79 HA ALA 79 2.858 -14.757 3.493 592 HB1 ALA 79 HB1 ALA 79 1.479 -12.273 3.885 593 HB2 ALA 79 HB2 ALA 79 0.817 -13.908 3.872 594 HB3 ALA 79 HB3 ALA 79 0.944 -12.996 2.367 595 H THR 80 H THR 80 3.204 -11.825 1.476 596 HA THR 80 HA THR 80 4.072 -13.556 -0.754 597 HB THR 80 HB THR 80 1.533 -13.291 -0.837 598 HG1 THR 80 HG1 THR 80 3.241 -12.407 -2.904 599 HG21 THR 80 HG21 THR 80 0.566 -11.241 -1.021 600 HG22 THR 80 HG22 THR 80 1.866 -10.612 -2.032 601 HG23 THR 80 HG23 THR 80 2.062 -10.671 -0.280 602 H THR 81 H THR 81 5.091 -12.323 -2.479 603 HA THR 81 HA THR 81 5.799 -9.527 -1.715 604 HB THR 81 HB THR 81 7.739 -10.732 -1.145 605 HG1 THR 81 HG1 THR 81 9.079 -10.401 -3.190 606 HG21 THR 81 HG21 THR 81 7.013 -12.404 -3.533 607 HG22 THR 81 HG22 THR 81 7.361 -12.914 -1.881 608 HG23 THR 81 HG23 THR 81 8.673 -12.396 -2.940 609 HA PRO 82 HA PRO 82 3.957 -9.603 -5.949 610 HB2 PRO 82 HB3 PRO 82 3.580 -6.735 -5.382 611 HB3 PRO 82 HB2 PRO 82 2.389 -7.952 -5.866 612 HG2 PRO 82 HG3 PRO 82 2.508 -6.915 -3.381 613 HG3 PRO 82 HG2 PRO 82 1.937 -8.556 -3.722 614 HD2 PRO 82 HD3 PRO 82 4.536 -7.672 -2.556 615 HD3 PRO 82 HD2 PRO 82 3.615 -9.164 -2.266 616 HA PRO 83 HA PRO 83 7.387 -7.986 -8.230 617 HB2 PRO 83 HB3 PRO 83 6.107 -7.108 -10.513 618 HB3 PRO 83 HB2 PRO 83 6.493 -8.804 -10.174 619 HG2 PRO 83 HG3 PRO 83 3.919 -7.352 -9.876 620 HG3 PRO 83 HG2 PRO 83 4.227 -9.016 -10.404 621 HD2 PRO 83 HD3 PRO 83 3.335 -8.413 -7.898 622 HD3 PRO 83 HD2 PRO 83 4.362 -9.823 -8.239 623 H VAL 84 H VAL 84 8.413 -5.988 -8.819 624 HA VAL 84 HA VAL 84 7.106 -3.607 -7.661 625 HB VAL 84 HB VAL 84 9.464 -4.060 -7.108 626 HG11 VAL 84 HG11 VAL 84 9.900 -5.178 -9.364 627 HG12 VAL 84 HG12 VAL 84 11.178 -4.116 -8.773 628 HG13 VAL 84 HG13 VAL 84 10.074 -3.553 -10.027 629 HG21 VAL 84 HG21 VAL 84 8.423 -1.659 -7.665 630 HG22 VAL 84 HG22 VAL 84 9.638 -1.704 -8.942 631 HG23 VAL 84 HG23 VAL 84 10.129 -1.848 -7.255 632 H GLU 85 H GLU 85 6.175 -2.034 -8.896 633 HA GLU 85 HA GLU 85 7.065 -1.351 -11.549 634 HB2 GLU 85 HB3 GLU 85 5.856 -3.574 -11.915 635 HB3 GLU 85 HB2 GLU 85 4.375 -2.736 -11.453 636 HG2 GLU 85 HG3 GLU 85 4.804 -1.064 -13.264 637 HG3 GLU 85 HG2 GLU 85 6.206 -2.011 -13.758 638 H ALA 86 H ALA 86 3.774 -1.095 -11.704 639 HA ALA 86 HA ALA 86 3.412 1.148 -9.858 640 HB1 ALA 86 HB1 ALA 86 4.489 1.686 -12.409 641 HB2 ALA 86 HB2 ALA 86 3.833 2.857 -11.264 642 HB3 ALA 86 HB3 ALA 86 2.791 2.152 -12.500 643 H LYS 87 H LYS 87 1.154 2.072 -10.122 644 HA LYS 87 HA LYS 87 -0.748 -0.084 -10.461 645 HB2 LYS 87 HB3 LYS 87 -1.138 2.903 -10.099 646 HB3 LYS 87 HB2 LYS 87 -2.451 1.726 -10.093 647 HG2 LYS 87 HG3 LYS 87 -1.326 0.542 -8.201 648 HG3 LYS 87 HG2 LYS 87 -0.111 1.821 -8.167 649 HD2 LYS 87 HD3 LYS 87 -1.908 3.492 -7.775 650 HD3 LYS 87 HD2 LYS 87 -3.093 2.185 -7.741 651 HE2 LYS 87 HE3 LYS 87 -0.817 1.695 -5.967 652 HE3 LYS 87 HE2 LYS 87 -1.707 3.156 -5.541 653 HZ1 LYS 87 HZ1 LYS 87 -2.629 1.201 -4.457 654 HZ2 LYS 87 HZ2 LYS 87 -2.901 0.469 -5.966 655 HZ3 LYS 87 HZ3 LYS 87 -3.748 1.877 -5.536 656 H LEU 88 H LEU 88 -2.212 -0.413 -12.162 657 HA LEU 88 HA LEU 88 -1.401 0.316 -14.789 658 HB2 LEU 88 HB3 LEU 88 -4.175 -0.495 -13.862 659 HB3 LEU 88 HB2 LEU 88 -3.565 -0.581 -15.514 660 HG LEU 88 HG LEU 88 -2.492 -2.116 -13.129 661 HD11 LEU 88 HD11 LEU 88 -4.310 -2.751 -15.417 662 HD12 LEU 88 HD12 LEU 88 -4.361 -3.327 -13.752 663 HD13 LEU 88 HD13 LEU 88 -3.187 -4.002 -14.882 664 HD21 LEU 88 HD21 LEU 88 -0.586 -1.809 -14.433 665 HD22 LEU 88 HD22 LEU 88 -1.507 -1.697 -15.933 666 HD23 LEU 88 HD23 LEU 88 -1.254 -3.267 -15.167 667 H GLN 89 H GLN 89 -3.675 1.831 -12.546 668 HA GLN 89 HA GLN 89 -4.805 3.686 -14.427 669 HB2 GLN 89 HB3 GLN 89 -4.471 3.886 -11.418 670 HB3 GLN 89 HB2 GLN 89 -5.464 4.971 -12.392 671 HG2 GLN 89 HG3 GLN 89 -6.838 3.079 -13.139 672 HG3 GLN 89 HG2 GLN 89 -5.827 1.965 -12.216 673 HE21 GLN 89 HE21 GLN 89 -8.616 2.178 -11.659 674 HE22 GLN 89 HE22 GLN 89 -8.812 2.888 -10.131 675 H3 7V9 101 1H1 NIA 101 -11.817 3.303 8.381 676 H4 7V9 101 2H1 NIA 101 -10.358 3.812 7.533 677 H5 7V9 101 1HE1 NIA 101 -11.613 -0.102 7.333 678 H6 7V9 101 2HE1 NIA 101 -12.594 1.175 8.052 679 H7 7V9 101 3HE1 NIA 101 -11.488 0.241 9.059 680 H8 7V9 101 2HE2 NIA 101 -9.199 0.753 9.205 681 H9 7V9 101 3HE2 NIA 101 -10.101 2.119 9.860 682 H10 7V9 101 1HE2 NIA 101 -8.745 2.399 8.768 683 H11 7V9 101 3H NIA 101 -8.995 2.004 6.329 684 H12 7V9 101 3HO NIA 101 -11.458 0.734 5.785 685 H13 7V9 101 5H NIA 101 -7.260 0.717 6.901 686 H14 7V9 101 1H6 NIA 101 -7.307 -1.129 8.855 687 H15 7V9 101 2H6 NIA 101 -7.672 -2.153 7.466 688 H16 7V9 101 1H7 NIA 101 -5.116 -0.953 8.283 689 H17 7V9 101 2H7 NIA 101 -5.493 -0.716 6.576 690 H18 7V9 101 9H NIA 101 -6.718 -3.907 6.344 691 H19 7V9 101 1H10 NIA 101 -6.295 -3.147 4.109 692 H20 7V9 101 2H10 NIA 101 -4.928 -2.211 4.712 693 H21 7V9 101 1H11 NIA 101 -5.057 -5.079 3.904 694 H22 7V9 101 2H11 NIA 101 -4.002 -4.671 5.258 695 H25 7V9 101 5H1 NIA 101 -0.423 -3.975 2.435 696 H26 7V9 101 7H1 NIA 101 -0.196 -3.661 -1.740 697 H27 7V9 101 8H1 NIA 101 -2.354 -4.858 -1.987 698 H28 7V9 101 9H1 NIA 101 -3.731 -5.278 0.050 Start of MODEL 11 1 H1 MET 1 H1 MET 1 12.801 -5.093 3.084 2 H2 MET 1 H2 MET 1 13.550 -5.778 1.721 3 H3 MET 1 H3 MET 1 12.171 -6.508 2.393 4 HA MET 1 HA MET 1 10.814 -4.627 1.779 5 HB2 MET 1 HB3 MET 1 13.497 -3.560 0.924 6 HB3 MET 1 HB2 MET 1 12.017 -2.980 0.158 7 HG2 MET 1 HG3 MET 1 11.106 -2.383 2.375 8 HG3 MET 1 HG2 MET 1 12.602 -2.934 3.132 9 HE1 MET 1 HE1 MET 1 11.730 0.619 3.359 10 HE2 MET 1 HE2 MET 1 13.373 0.345 3.933 11 HE3 MET 1 HE3 MET 1 12.141 -0.887 4.191 12 H GLN 2 H GLN 2 9.853 -6.290 0.587 13 HA GLN 2 HA GLN 2 11.109 -6.958 -2.038 14 HB2 GLN 2 HB3 GLN 2 8.891 -8.340 -0.494 15 HB3 GLN 2 HB2 GLN 2 9.506 -8.863 -2.062 16 HG2 GLN 2 HG3 GLN 2 11.746 -9.175 -1.098 17 HG3 GLN 2 HG2 GLN 2 11.159 -8.616 0.469 18 HE21 GLN 2 HE21 GLN 2 12.257 -11.227 0.211 19 HE22 GLN 2 HE22 GLN 2 11.015 -12.367 0.412 20 H HIS 3 H HIS 3 10.001 -6.466 -3.937 21 HA HIS 3 HA HIS 3 8.602 -5.052 -5.218 22 HB2 HIS 3 HB3 HIS 3 6.420 -5.908 -5.352 23 HB3 HIS 3 HB2 HIS 3 7.324 -7.269 -4.693 24 HD1 HIS 3 HD1 HIS 3 7.093 -7.702 -2.086 25 HD2 HIS 3 HD2 HIS 3 4.475 -4.843 -3.627 26 HE1 HIS 3 HE1 HIS 3 5.309 -7.337 -0.323 27 HE2 HIS 3 HE2 HIS 3 3.711 -5.600 -1.251 28 H ALA 4 H ALA 4 9.479 -4.032 -2.515 29 HA ALA 4 HA ALA 4 7.364 -2.594 -1.260 30 HB1 ALA 4 HB1 ALA 4 9.825 -2.962 -0.496 31 HB2 ALA 4 HB2 ALA 4 9.043 -1.434 -0.095 32 HB3 ALA 4 HB3 ALA 4 10.171 -1.519 -1.449 33 H SER 5 H SER 5 9.455 -1.779 -4.010 34 HA SER 5 HA SER 5 8.696 0.948 -4.274 35 HB2 SER 5 HB3 SER 5 9.356 -0.992 -6.509 36 HB3 SER 5 HB2 SER 5 9.455 0.765 -6.587 37 HG SER 5 HG SER 5 10.965 -0.999 -4.952 38 H VAL 6 H VAL 6 7.161 -2.021 -5.440 39 HA VAL 6 HA VAL 6 5.156 -0.752 -7.044 40 HB VAL 6 HB VAL 6 5.142 -3.399 -5.585 41 HG11 VAL 6 HG11 VAL 6 2.853 -2.855 -5.969 42 HG12 VAL 6 HG12 VAL 6 3.313 -3.915 -7.301 43 HG13 VAL 6 HG13 VAL 6 3.208 -2.172 -7.555 44 HG21 VAL 6 HG21 VAL 6 5.440 -2.877 -8.545 45 HG22 VAL 6 HG22 VAL 6 5.831 -4.347 -7.651 46 HG23 VAL 6 HG23 VAL 6 6.834 -2.908 -7.465 47 H ILE 7 H ILE 7 5.322 -1.588 -3.620 48 HA ILE 7 HA ILE 7 2.602 -0.985 -2.975 49 HB ILE 7 HB ILE 7 5.070 -0.739 -1.234 50 HG12 ILE 7 HG13 ILE 7 3.155 -3.070 -1.575 51 HG13 ILE 7 HG12 ILE 7 4.743 -2.975 -2.338 52 HG21 ILE 7 HG21 ILE 7 3.481 -1.063 0.621 53 HG22 ILE 7 HG22 ILE 7 2.143 -1.125 -0.527 54 HG23 ILE 7 HG23 ILE 7 3.054 0.370 -0.316 55 HD11 ILE 7 HD11 ILE 7 5.551 -2.495 0.133 56 HD12 ILE 7 HD12 ILE 7 5.271 -4.149 -0.405 57 HD13 ILE 7 HD13 ILE 7 4.051 -3.316 0.557 58 H ALA 8 H ALA 8 5.550 1.022 -2.832 59 HA ALA 8 HA ALA 8 4.250 3.372 -1.856 60 HB1 ALA 8 HB1 ALA 8 6.497 3.688 -1.655 61 HB2 ALA 8 HB2 ALA 8 6.339 4.389 -3.265 62 HB3 ALA 8 HB3 ALA 8 6.861 2.715 -3.080 63 H GLN 9 H GLN 9 5.138 2.472 -5.207 64 HA GLN 9 HA GLN 9 3.881 4.811 -6.335 65 HB2 GLN 9 HB3 GLN 9 4.055 3.530 -8.504 66 HB3 GLN 9 HB2 GLN 9 5.579 3.700 -7.633 67 HG2 GLN 9 HG3 GLN 9 5.788 1.463 -7.673 68 HG3 GLN 9 HG2 GLN 9 4.371 1.358 -6.631 69 HE21 GLN 9 HE21 GLN 9 2.202 1.278 -7.783 70 HE22 GLN 9 HE22 GLN 9 2.132 0.578 -9.328 71 H PHE 10 H PHE 10 2.797 1.464 -5.842 72 HA PHE 10 HA PHE 10 0.300 1.739 -7.207 73 HB2 PHE 10 HB3 PHE 10 1.275 -0.445 -6.540 74 HB3 PHE 10 HB2 PHE 10 0.963 -0.048 -4.850 75 HD1 PHE 10 HD1 PHE 10 -0.614 -0.772 -8.125 76 HD2 PHE 10 HD2 PHE 10 -1.256 -0.153 -3.923 77 HE1 PHE 10 HE1 PHE 10 -2.937 -1.609 -8.357 78 HE2 PHE 10 HE2 PHE 10 -3.578 -0.989 -4.154 79 HZ PHE 10 HZ PHE 10 -4.420 -1.717 -6.370 80 H VAL 11 H VAL 11 1.049 2.008 -3.718 81 HA VAL 11 HA VAL 11 -1.622 2.831 -3.015 82 HB VAL 11 HB VAL 11 0.200 1.888 -1.462 83 HG11 VAL 11 HG11 VAL 11 1.855 3.687 -2.263 84 HG12 VAL 11 HG12 VAL 11 1.780 3.395 -0.526 85 HG13 VAL 11 HG13 VAL 11 0.969 4.799 -1.219 86 HG21 VAL 11 HG21 VAL 11 -1.829 2.581 -0.454 87 HG22 VAL 11 HG22 VAL 11 -1.529 4.278 -0.826 88 HG23 VAL 11 HG23 VAL 11 -0.587 3.471 0.426 89 H VAL 12 H VAL 12 1.357 4.619 -3.759 90 HA VAL 12 HA VAL 12 0.287 7.217 -3.166 91 HB VAL 12 HB VAL 12 2.531 6.363 -4.999 92 HG11 VAL 12 HG11 VAL 12 2.474 8.480 -5.767 93 HG12 VAL 12 HG12 VAL 12 2.971 8.984 -4.153 94 HG13 VAL 12 HG13 VAL 12 1.259 8.950 -4.579 95 HG21 VAL 12 HG21 VAL 12 3.948 6.633 -3.179 96 HG22 VAL 12 HG22 VAL 12 2.497 6.053 -2.361 97 HG23 VAL 12 HG23 VAL 12 2.869 7.776 -2.380 98 H GLU 13 H GLU 13 0.352 5.246 -6.104 99 HA GLU 13 HA GLU 13 -0.493 7.136 -7.993 100 HB2 GLU 13 HB3 GLU 13 0.102 4.768 -8.503 101 HB3 GLU 13 HB2 GLU 13 -1.444 4.276 -7.823 102 HG2 GLU 13 HG3 GLU 13 -2.605 5.730 -9.475 103 HG3 GLU 13 HG2 GLU 13 -1.040 6.105 -10.191 104 H GLU 14 H GLU 14 -2.344 5.582 -5.448 105 HA GLU 14 HA GLU 14 -4.951 6.224 -6.453 106 HB2 GLU 14 HB3 GLU 14 -3.974 5.834 -3.609 107 HB3 GLU 14 HB2 GLU 14 -5.673 5.935 -4.076 108 HG2 GLU 14 HG3 GLU 14 -5.346 3.991 -5.592 109 HG3 GLU 14 HG2 GLU 14 -3.676 3.865 -5.037 110 H PHE 15 H PHE 15 -2.555 8.090 -4.672 111 HA PHE 15 HA PHE 15 -4.274 10.484 -5.059 112 HB2 PHE 15 HB3 PHE 15 -3.903 11.241 -2.769 113 HB3 PHE 15 HB2 PHE 15 -4.655 9.646 -2.741 114 HD1 PHE 15 HD1 PHE 15 -1.732 11.600 -1.843 115 HD2 PHE 15 HD2 PHE 15 -3.215 7.603 -2.375 116 HE1 PHE 15 HE1 PHE 15 0.180 10.715 -0.536 117 HE2 PHE 15 HE2 PHE 15 -1.304 6.720 -1.064 118 HZ PHE 15 HZ PHE 15 0.393 8.276 -0.145 119 H LEU 16 H LEU 16 -1.906 9.651 -6.491 120 HA LEU 16 HA LEU 16 0.327 11.160 -5.399 121 HB2 LEU 16 HB3 LEU 16 1.608 10.172 -7.001 122 HB3 LEU 16 HB2 LEU 16 0.262 9.054 -7.053 123 HG LEU 16 HG LEU 16 0.651 11.424 -8.916 124 HD11 LEU 16 HD11 LEU 16 0.630 9.136 -10.423 125 HD12 LEU 16 HD12 LEU 16 1.483 8.606 -8.974 126 HD13 LEU 16 HD13 LEU 16 2.086 9.981 -9.898 127 HD21 LEU 16 HD21 LEU 16 -1.733 10.187 -8.211 128 HD22 LEU 16 HD22 LEU 16 -1.240 9.293 -9.645 129 HD23 LEU 16 HD23 LEU 16 -1.444 11.043 -9.723 130 HA PRO 17 HA PRO 17 -1.072 14.976 -7.291 131 HB2 PRO 17 HB3 PRO 17 1.060 16.540 -6.645 132 HB3 PRO 17 HB2 PRO 17 -0.136 16.028 -5.441 133 HG2 PRO 17 HG3 PRO 17 2.581 14.946 -5.986 134 HG3 PRO 17 HG2 PRO 17 1.764 15.221 -4.439 135 HD2 PRO 17 HD3 PRO 17 1.948 12.753 -5.648 136 HD3 PRO 17 HD2 PRO 17 0.655 13.214 -4.521 137 H ASP 18 H ASP 18 0.960 16.786 -8.378 138 HA ASP 18 HA ASP 18 1.342 15.509 -10.964 139 HB2 ASP 18 HB3 ASP 18 2.192 18.193 -9.865 140 HB3 ASP 18 HB2 ASP 18 2.446 17.692 -11.532 141 H VAL 19 H VAL 19 2.838 14.733 -8.326 142 HA VAL 19 HA VAL 19 5.606 14.877 -9.457 143 HB VAL 19 HB VAL 19 4.754 14.408 -6.584 144 HG11 VAL 19 HG11 VAL 19 7.328 15.228 -6.489 145 HG12 VAL 19 HG12 VAL 19 7.340 14.405 -8.048 146 HG13 VAL 19 HG13 VAL 19 6.869 13.529 -6.592 147 HG21 VAL 19 HG21 VAL 19 4.690 16.792 -8.035 148 HG22 VAL 19 HG22 VAL 19 6.233 16.853 -7.183 149 HG23 VAL 19 HG23 VAL 19 4.733 16.650 -6.278 150 H ALA 20 H ALA 20 6.651 12.952 -9.879 151 HA ALA 20 HA ALA 20 5.115 10.530 -9.982 152 HB1 ALA 20 HB1 ALA 20 7.273 9.470 -10.629 153 HB2 ALA 20 HB2 ALA 20 8.102 10.973 -10.223 154 HB3 ALA 20 HB3 ALA 20 6.942 10.937 -11.552 155 HA PRO 21 HA PRO 21 5.521 9.008 -5.796 156 HB2 PRO 21 HB3 PRO 21 6.160 6.364 -6.978 157 HB3 PRO 21 HB2 PRO 21 4.877 6.811 -5.843 158 HG2 PRO 21 HG3 PRO 21 4.458 6.284 -8.470 159 HG3 PRO 21 HG2 PRO 21 3.423 7.331 -7.492 160 HD2 PRO 21 HD3 PRO 21 5.283 8.066 -9.651 161 HD3 PRO 21 HD2 PRO 21 3.942 8.991 -8.940 162 H ALA 22 H ALA 22 7.954 8.183 -8.216 163 HA ALA 22 HA ALA 22 9.971 7.222 -6.424 164 HB1 ALA 22 HB1 ALA 22 11.390 8.365 -8.477 165 HB2 ALA 22 HB2 ALA 22 9.819 8.103 -9.233 166 HB3 ALA 22 HB3 ALA 22 10.695 6.745 -8.526 167 H ASP 23 H ASP 23 8.871 10.423 -7.232 168 HA ASP 23 HA ASP 23 11.228 11.654 -5.914 169 HB2 ASP 23 HB3 ASP 23 8.883 12.846 -7.421 170 HB3 ASP 23 HB2 ASP 23 10.151 13.805 -6.658 171 H VAL 24 H VAL 24 8.582 10.217 -4.826 172 HA VAL 24 HA VAL 24 7.822 12.340 -2.881 173 HB VAL 24 HB VAL 24 6.580 9.611 -3.357 174 HG11 VAL 24 HG11 VAL 24 4.642 10.916 -2.167 175 HG12 VAL 24 HG12 VAL 24 5.942 11.954 -1.582 176 HG13 VAL 24 HG13 VAL 24 5.943 10.234 -1.191 177 HG21 VAL 24 HG21 VAL 24 4.825 10.832 -4.552 178 HG22 VAL 24 HG22 VAL 24 6.386 11.158 -5.306 179 HG23 VAL 24 HG23 VAL 24 5.651 12.360 -4.247 180 H ASP 25 H ASP 25 8.357 12.133 -0.721 181 HA ASP 25 HA ASP 25 10.452 10.288 -0.011 182 HB2 ASP 25 HB3 ASP 25 8.689 12.072 1.694 183 HB3 ASP 25 HB2 ASP 25 10.079 11.177 2.309 184 H VAL 26 H VAL 26 9.500 8.199 -0.483 185 HA VAL 26 HA VAL 26 7.069 7.242 0.663 186 HB VAL 26 HB VAL 26 7.944 5.002 0.214 187 HG11 VAL 26 HG11 VAL 26 8.456 5.265 -2.154 188 HG12 VAL 26 HG12 VAL 26 8.921 6.948 -1.899 189 HG13 VAL 26 HG13 VAL 26 7.239 6.458 -1.699 190 HG21 VAL 26 HG21 VAL 26 10.469 6.363 0.677 191 HG22 VAL 26 HG22 VAL 26 10.502 5.482 -0.850 192 HG23 VAL 26 HG23 VAL 26 10.128 4.632 0.650 193 H ASP 27 H ASP 27 9.705 8.386 2.263 194 HA ASP 27 HA ASP 27 9.641 6.417 4.472 195 HB2 ASP 27 HB3 ASP 27 11.248 8.957 4.053 196 HB3 ASP 27 HB2 ASP 27 11.393 7.914 5.468 197 H LEU 28 H LEU 28 7.619 8.718 3.524 198 HA LEU 28 HA LEU 28 7.271 10.116 6.104 199 HB2 LEU 28 HB3 LEU 28 6.989 11.309 3.918 200 HB3 LEU 28 HB2 LEU 28 5.602 10.278 3.579 201 HG LEU 28 HG LEU 28 4.925 11.154 6.051 202 HD11 LEU 28 HD11 LEU 28 5.538 13.439 6.372 203 HD12 LEU 28 HD12 LEU 28 6.270 13.539 4.771 204 HD13 LEU 28 HD13 LEU 28 7.039 12.577 6.033 205 HD21 LEU 28 HD21 LEU 28 4.460 12.422 3.343 206 HD22 LEU 28 HD22 LEU 28 3.609 12.953 4.793 207 HD23 LEU 28 HD23 LEU 28 3.409 11.300 4.210 208 H ASP 29 H ASP 29 5.631 9.639 7.548 209 HA ASP 29 HA ASP 29 4.360 7.069 7.382 210 HB2 ASP 29 HB3 ASP 29 3.741 9.483 9.117 211 HB3 ASP 29 HB2 ASP 29 3.014 7.890 9.336 212 H LEU 30 H LEU 30 2.642 6.569 6.114 213 HA LEU 30 HA LEU 30 1.242 8.626 4.647 214 HB2 LEU 30 HB3 LEU 30 -0.033 6.809 3.677 215 HB3 LEU 30 HB2 LEU 30 1.650 6.294 3.805 216 HG LEU 30 HG LEU 30 0.552 5.580 6.261 217 HD11 LEU 30 HD11 LEU 30 -1.684 6.068 5.068 218 HD12 LEU 30 HD12 LEU 30 -1.519 4.501 5.857 219 HD13 LEU 30 HD13 LEU 30 -1.340 4.630 4.108 220 HD21 LEU 30 HD21 LEU 30 2.163 4.263 4.995 221 HD22 LEU 30 HD22 LEU 30 0.974 3.968 3.726 222 HD23 LEU 30 HD23 LEU 30 0.749 3.263 5.327 223 H VAL 31 H VAL 31 0.986 7.887 7.825 224 HA VAL 31 HA VAL 31 -1.753 7.492 8.353 225 HB VAL 31 HB VAL 31 0.188 7.676 10.035 226 HG11 VAL 31 HG11 VAL 31 0.740 9.833 10.890 227 HG12 VAL 31 HG12 VAL 31 -0.593 10.597 10.023 228 HG13 VAL 31 HG13 VAL 31 0.806 9.996 9.136 229 HG21 VAL 31 HG21 VAL 31 -1.361 8.660 11.796 230 HG22 VAL 31 HG22 VAL 31 -2.054 7.347 10.844 231 HG23 VAL 31 HG23 VAL 31 -2.490 9.019 10.490 232 H ASP 32 H ASP 32 -0.015 10.463 7.527 233 HA ASP 32 HA ASP 32 -2.175 12.288 7.885 234 HB2 ASP 32 HB3 ASP 32 0.095 12.303 5.867 235 HB3 ASP 32 HB2 ASP 32 -0.995 13.663 6.137 236 H ASN 33 H ASN 33 -1.316 10.051 5.330 237 HA ASN 33 HA ASN 33 -3.506 10.918 3.579 238 HB2 ASN 33 HB3 ASN 33 -1.722 8.483 3.377 239 HB3 ASN 33 HB2 ASN 33 -2.737 9.144 2.098 240 HD21 ASN 33 HD21 ASN 33 -1.395 11.661 3.962 241 HD22 ASN 33 HD22 ASN 33 -0.088 12.042 2.949 242 H GLY 34 H GLY 34 -3.742 9.655 6.411 243 HA2 GLY 34 HA3 GLY 34 -4.791 7.114 6.472 244 HA3 GLY 34 HA2 GLY 34 -5.491 8.428 7.418 245 H VAL 35 H VAL 35 -6.027 9.751 4.648 246 HA VAL 35 HA VAL 35 -8.774 9.162 4.448 247 HB VAL 35 HB VAL 35 -6.817 10.074 2.319 248 HG11 VAL 35 HG11 VAL 35 -8.468 9.560 0.852 249 HG12 VAL 35 HG12 VAL 35 -9.329 10.930 1.552 250 HG13 VAL 35 HG13 VAL 35 -9.644 9.297 2.139 251 HG21 VAL 35 HG21 VAL 35 -8.928 11.862 3.342 252 HG22 VAL 35 HG22 VAL 35 -7.215 12.183 3.075 253 HG23 VAL 35 HG23 VAL 35 -7.742 11.376 4.553 254 H ILE 36 H ILE 36 -5.996 7.577 2.984 255 HA ILE 36 HA ILE 36 -7.484 5.809 1.256 256 HB ILE 36 HB ILE 36 -4.946 6.446 1.250 257 HG12 ILE 36 HG13 ILE 36 -6.103 3.705 0.728 258 HG13 ILE 36 HG12 ILE 36 -5.698 4.968 -0.437 259 HG21 ILE 36 HG21 ILE 36 -4.777 5.545 3.668 260 HG22 ILE 36 HG22 ILE 36 -3.500 5.088 2.542 261 HG23 ILE 36 HG23 ILE 36 -4.785 3.943 2.931 262 HD11 ILE 36 HD11 ILE 36 -3.910 3.016 0.938 263 HD12 ILE 36 HD12 ILE 36 -3.265 4.625 0.611 264 HD13 ILE 36 HD13 ILE 36 -3.850 3.622 -0.717 265 H ASP 37 H ASP 37 -6.929 5.874 4.637 266 HA ASP 37 HA ASP 37 -6.815 3.153 5.329 267 HB2 ASP 37 HB3 ASP 37 -8.202 5.414 6.789 268 HB3 ASP 37 HB2 ASP 37 -7.850 3.836 7.486 269 H SER 38 H SER 38 -9.658 5.052 4.376 270 HA SER 38 HA SER 38 -11.275 2.552 4.699 271 HB2 SER 38 2HB SER 38 -12.134 5.440 4.911 272 HB3 SER 38 1HB SER 38 -13.240 4.070 4.935 273 H LEU 39 H LEU 39 -11.574 5.598 2.844 274 HA LEU 39 HA LEU 39 -13.102 4.415 0.763 275 HB2 LEU 39 HB3 LEU 39 -11.340 6.865 0.691 276 HB3 LEU 39 HB2 LEU 39 -12.527 6.447 -0.541 277 HG LEU 39 HG LEU 39 -14.005 6.261 1.771 278 HD11 LEU 39 HD11 LEU 39 -12.439 8.814 2.067 279 HD12 LEU 39 HD12 LEU 39 -11.885 7.337 2.854 280 HD13 LEU 39 HD13 LEU 39 -13.468 8.006 3.248 281 HD21 LEU 39 HD21 LEU 39 -15.025 8.364 1.021 282 HD22 LEU 39 HD22 LEU 39 -14.627 7.359 -0.373 283 HD23 LEU 39 HD23 LEU 39 -13.598 8.727 0.050 284 H GLY 40 H GLY 40 -9.627 5.159 0.887 285 HA2 GLY 40 HA3 GLY 40 -9.092 4.026 -1.708 286 HA3 GLY 40 HA2 GLY 40 -7.887 4.424 -0.492 287 H LEU 41 H LEU 41 -8.788 2.797 1.616 288 HA LEU 41 HA LEU 41 -7.602 0.302 0.911 289 HB2 LEU 41 HB3 LEU 41 -8.779 1.497 3.277 290 HB3 LEU 41 HB2 LEU 41 -9.220 -0.205 3.142 291 HG LEU 41 HG LEU 41 -6.390 0.872 2.944 292 HD11 LEU 41 HD11 LEU 41 -6.455 0.905 5.199 293 HD12 LEU 41 HD12 LEU 41 -6.653 -0.846 5.145 294 HD13 LEU 41 HD13 LEU 41 -8.071 0.198 5.217 295 HD21 LEU 41 HD21 LEU 41 -7.613 -1.619 2.190 296 HD22 LEU 41 HD22 LEU 41 -6.531 -1.903 3.554 297 HD23 LEU 41 HD23 LEU 41 -5.915 -1.155 2.081 298 H LEU 42 H LEU 42 -10.995 1.314 1.128 299 HA LEU 42 HA LEU 42 -12.162 -1.259 0.786 300 HB2 LEU 42 HB3 LEU 42 -13.415 0.857 1.341 301 HB3 LEU 42 HB2 LEU 42 -13.216 1.352 -0.335 302 HG LEU 42 HG LEU 42 -14.239 -1.010 -0.862 303 HD11 LEU 42 HD11 LEU 42 -15.810 -0.584 1.610 304 HD12 LEU 42 HD12 LEU 42 -14.186 -1.229 1.838 305 HD13 LEU 42 HD13 LEU 42 -15.340 -2.088 0.819 306 HD21 LEU 42 HD21 LEU 42 -15.755 1.414 0.140 307 HD22 LEU 42 HD22 LEU 42 -16.553 0.044 -0.634 308 HD23 LEU 42 HD23 LEU 42 -15.371 0.999 -1.531 309 H LYS 43 H LYS 43 -11.080 1.148 -1.613 310 HA LYS 43 HA LYS 43 -11.820 -0.406 -3.909 311 HB2 LYS 43 HB3 LYS 43 -9.708 1.728 -3.553 312 HB3 LYS 43 HB2 LYS 43 -10.220 1.086 -5.108 313 HG2 LYS 43 HG3 LYS 43 -12.558 1.793 -4.584 314 HG3 LYS 43 HG2 LYS 43 -11.963 2.539 -3.100 315 HD2 LYS 43 HD3 LYS 43 -10.424 3.948 -4.473 316 HD3 LYS 43 HD2 LYS 43 -11.147 3.265 -5.929 317 HE2 LYS 43 HE3 LYS 43 -12.292 5.327 -5.538 318 HE3 LYS 43 HE2 LYS 43 -13.399 4.055 -5.023 319 HZ1 LYS 43 HZ1 LYS 43 -11.931 6.003 -3.424 320 HZ2 LYS 43 HZ2 LYS 43 -12.116 4.449 -2.763 321 HZ3 LYS 43 HZ3 LYS 43 -13.483 5.359 -3.194 322 H VAL 44 H VAL 44 -8.892 -0.196 -1.935 323 HA VAL 44 HA VAL 44 -7.236 -1.848 -3.594 324 HB VAL 44 HB VAL 44 -7.165 -1.335 -0.610 325 HG11 VAL 44 HG11 VAL 44 -4.773 -2.101 -0.844 326 HG12 VAL 44 HG12 VAL 44 -5.175 -2.671 -2.463 327 HG13 VAL 44 HG13 VAL 44 -5.965 -3.383 -1.056 328 HG21 VAL 44 HG21 VAL 44 -6.245 0.641 -1.181 329 HG22 VAL 44 HG22 VAL 44 -6.542 0.270 -2.879 330 HG23 VAL 44 HG23 VAL 44 -5.012 -0.191 -2.131 331 H ILE 45 H ILE 45 -9.457 -2.624 -0.929 332 HA ILE 45 HA ILE 45 -8.783 -5.356 -0.637 333 HB ILE 45 HB ILE 45 -11.165 -3.668 -0.050 334 HG12 ILE 45 HG13 ILE 45 -10.871 -4.856 2.172 335 HG13 ILE 45 HG12 ILE 45 -9.456 -5.649 1.486 336 HG21 ILE 45 HG21 ILE 45 -11.248 -6.673 -0.322 337 HG22 ILE 45 HG22 ILE 45 -12.363 -5.483 -0.997 338 HG23 ILE 45 HG23 ILE 45 -12.352 -5.796 0.737 339 HD11 ILE 45 HD11 ILE 45 -8.586 -3.747 2.595 340 HD12 ILE 45 HD12 ILE 45 -9.884 -2.709 2.012 341 HD13 ILE 45 HD13 ILE 45 -8.638 -3.274 0.900 342 H ALA 46 H ALA 46 -11.296 -3.885 -2.732 343 HA ALA 46 HA ALA 46 -12.085 -6.357 -3.942 344 HB1 ALA 46 HB1 ALA 46 -13.317 -5.049 -5.460 345 HB2 ALA 46 HB2 ALA 46 -12.151 -3.726 -5.410 346 HB3 ALA 46 HB3 ALA 46 -13.222 -4.011 -4.038 347 H TRP 47 H TRP 47 -9.592 -3.982 -4.755 348 HA TRP 47 HA TRP 47 -8.828 -5.161 -7.263 349 HB2 TRP 47 HB3 TRP 47 -8.124 -2.921 -6.836 350 HB3 TRP 47 HB2 TRP 47 -7.404 -3.367 -5.290 351 HD1 TRP 47 HD1 TRP 47 -6.877 -3.884 -9.070 352 HE1 TRP 47 HE1 TRP 47 -4.376 -4.366 -9.474 353 HE3 TRP 47 HE3 TRP 47 -5.233 -4.111 -4.243 354 HZ2 TRP 47 HZ2 TRP 47 -1.991 -4.791 -7.947 355 HZ3 TRP 47 HZ3 TRP 47 -2.848 -4.553 -3.744 356 HH2 TRP 47 HH2 TRP 47 -1.226 -4.893 -5.587 357 H LEU 48 H LEU 48 -7.729 -5.616 -3.926 358 HA LEU 48 HA LEU 48 -5.531 -7.331 -4.467 359 HB2 LEU 48 HB3 LEU 48 -6.101 -6.263 -2.256 360 HB3 LEU 48 HB2 LEU 48 -7.383 -7.450 -2.075 361 HG LEU 48 HG LEU 48 -5.449 -9.163 -2.569 362 HD11 LEU 48 HD11 LEU 48 -3.790 -7.184 -1.103 363 HD12 LEU 48 HD12 LEU 48 -3.997 -6.917 -2.833 364 HD13 LEU 48 HD13 LEU 48 -3.298 -8.429 -2.249 365 HD21 LEU 48 HD21 LEU 48 -4.851 -8.760 0.037 366 HD22 LEU 48 HD22 LEU 48 -6.371 -9.482 -0.487 367 HD23 LEU 48 HD23 LEU 48 -6.303 -7.766 -0.085 368 H GLU 49 H GLU 49 -8.970 -8.065 -3.887 369 HA GLU 49 HA GLU 49 -8.674 -10.917 -4.040 370 HB2 GLU 49 HB3 GLU 49 -10.659 -9.898 -3.042 371 HB3 GLU 49 HB2 GLU 49 -11.088 -9.163 -4.576 372 HG2 GLU 49 HG3 GLU 49 -11.325 -11.405 -5.578 373 HG3 GLU 49 HG2 GLU 49 -10.923 -12.133 -4.030 374 H ASP 50 H ASP 50 -9.273 -8.430 -6.491 375 HA ASP 50 HA ASP 50 -9.930 -10.189 -8.627 376 HB2 ASP 50 HB3 ASP 50 -10.186 -7.688 -8.630 377 HB3 ASP 50 HB2 ASP 50 -8.442 -7.577 -8.865 378 H ARG 51 H ARG 51 -6.750 -8.883 -7.649 379 HA ARG 51 HA ARG 51 -5.436 -10.503 -9.716 380 HB2 ARG 51 HB3 ARG 51 -4.368 -8.630 -7.598 381 HB3 ARG 51 HB2 ARG 51 -3.355 -9.474 -8.766 382 HG2 ARG 51 HG3 ARG 51 -4.703 -8.445 -10.608 383 HG3 ARG 51 HG2 ARG 51 -5.570 -7.506 -9.392 384 HD2 ARG 51 HD3 ARG 51 -3.350 -6.598 -8.623 385 HD3 ARG 51 HD2 ARG 51 -2.606 -7.398 -10.007 386 HE ARG 51 HE ARG 51 -4.828 -5.707 -10.802 387 HH11 ARG 51 HH11 ARG 51 -4.286 -3.826 -11.932 388 HH12 ARG 51 HH12 ARG 51 -2.652 -3.253 -11.901 389 HH21 ARG 51 HH21 ARG 51 -1.509 -5.823 -9.874 390 HH22 ARG 51 HH22 ARG 51 -1.079 -4.383 -10.736 391 H PHE 52 H PHE 52 -5.267 -10.363 -6.125 392 HA PHE 52 HA PHE 52 -3.648 -12.783 -6.062 393 HB2 PHE 52 HB3 PHE 52 -4.975 -11.152 -3.889 394 HB3 PHE 52 HB2 PHE 52 -3.960 -12.558 -3.577 395 HD1 PHE 52 HD1 PHE 52 -4.025 -9.049 -4.545 396 HD2 PHE 52 HD2 PHE 52 -1.561 -12.555 -4.285 397 HE1 PHE 52 HE1 PHE 52 -1.998 -7.641 -4.779 398 HE2 PHE 52 HE2 PHE 52 0.467 -11.148 -4.519 399 HZ PHE 52 HZ PHE 52 0.249 -8.691 -4.765 400 H GLY 53 H GLY 53 -7.074 -12.107 -5.906 401 HA2 GLY 53 HA3 GLY 53 -8.831 -13.699 -6.022 402 HA3 GLY 53 HA2 GLY 53 -7.619 -14.977 -5.970 403 H ILE 54 H ILE 54 -7.775 -12.403 -3.574 404 HA ILE 54 HA ILE 54 -8.340 -14.478 -1.512 405 HB ILE 54 HB ILE 54 -7.371 -11.621 -1.181 406 HG12 ILE 54 HG13 ILE 54 -5.776 -14.186 -0.958 407 HG13 ILE 54 HG12 ILE 54 -5.824 -13.212 -2.429 408 HG21 ILE 54 HG21 ILE 54 -8.332 -13.626 0.659 409 HG22 ILE 54 HG22 ILE 54 -7.804 -11.978 1.000 410 HG23 ILE 54 HG23 ILE 54 -6.630 -13.294 0.976 411 HD11 ILE 54 HD11 ILE 54 -5.018 -12.132 0.283 412 HD12 ILE 54 HD12 ILE 54 -4.907 -11.299 -1.268 413 HD13 ILE 54 HD13 ILE 54 -3.870 -12.687 -0.935 414 H ALA 55 H ALA 55 -10.238 -14.383 -0.319 415 HA ALA 55 HA ALA 55 -12.446 -12.891 -1.315 416 HB1 ALA 55 HB1 ALA 55 -12.362 -13.818 1.541 417 HB2 ALA 55 HB2 ALA 55 -12.351 -15.010 0.241 418 HB3 ALA 55 HB3 ALA 55 -13.696 -13.880 0.388 419 H ALA 56 H ALA 56 -13.182 -10.873 -0.864 420 HA ALA 56 HA ALA 56 -11.516 -8.985 0.506 421 HB1 ALA 56 HB1 ALA 56 -14.316 -8.935 -0.594 422 HB2 ALA 56 HB2 ALA 56 -12.901 -8.027 -1.125 423 HB3 ALA 56 HB3 ALA 56 -13.725 -7.582 0.370 424 H ASP 57 H ASP 57 -14.285 -10.919 1.479 425 HA ASP 57 HA ASP 57 -14.975 -9.597 3.885 426 HB2 ASP 57 HB3 ASP 57 -15.105 -12.522 3.149 427 HB3 ASP 57 HB2 ASP 57 -15.846 -11.843 4.597 428 H ASP 58 H ASP 58 -12.372 -11.894 3.210 429 HA ASP 58 HA ASP 58 -11.709 -12.312 6.000 430 HB2 ASP 58 HB3 ASP 58 -11.086 -13.893 4.170 431 HB3 ASP 58 HB2 ASP 58 -9.950 -12.687 3.572 432 H VAL 59 H VAL 59 -11.068 -10.602 7.215 433 HA VAL 59 HA VAL 59 -8.862 -8.900 6.145 434 HB VAL 59 HB VAL 59 -9.893 -6.920 7.161 435 HG11 VAL 59 HG11 VAL 59 -11.634 -6.596 5.564 436 HG12 VAL 59 HG12 VAL 59 -12.010 -8.318 5.515 437 HG13 VAL 59 HG13 VAL 59 -10.508 -7.723 4.807 438 HG21 VAL 59 HG21 VAL 59 -11.322 -7.278 8.875 439 HG22 VAL 59 HG22 VAL 59 -11.539 -8.966 8.418 440 HG23 VAL 59 HG23 VAL 59 -12.531 -7.716 7.670 441 H GLU 60 H GLU 60 -7.526 -7.958 7.882 442 HA GLU 60 HA GLU 60 -7.951 -8.694 10.648 443 HB2 GLU 60 HB3 GLU 60 -7.242 -10.886 9.470 444 HB3 GLU 60 HB2 GLU 60 -5.656 -10.144 9.325 445 HG2 GLU 60 HG3 GLU 60 -5.632 -9.801 11.788 446 HG3 GLU 60 HG2 GLU 60 -7.172 -10.639 11.891 447 H LEU 61 H LEU 61 -7.063 -6.483 8.744 448 HA LEU 61 HA LEU 61 -4.403 -5.871 9.931 449 HB2 LEU 61 HB3 LEU 61 -5.854 -4.689 7.551 450 HB3 LEU 61 HB2 LEU 61 -4.312 -4.097 8.159 451 HG LEU 61 HG LEU 61 -3.370 -6.390 7.840 452 HD11 LEU 61 HD11 LEU 61 -5.022 -7.975 7.767 453 HD12 LEU 61 HD12 LEU 61 -4.942 -7.646 6.037 454 HD13 LEU 61 HD13 LEU 61 -6.185 -6.879 7.022 455 HD21 LEU 61 HD21 LEU 61 -2.924 -6.057 5.561 456 HD22 LEU 61 HD22 LEU 61 -3.412 -4.447 6.088 457 HD23 LEU 61 HD23 LEU 61 -4.556 -5.479 5.229 458 H SER 62 H SER 62 -4.111 -3.987 11.143 459 HA SER 62 HA SER 62 -6.617 -2.558 11.909 460 HB2 SER 62 HB3 SER 62 -5.972 -2.935 14.033 461 HB3 SER 62 HB2 SER 62 -4.517 -3.745 13.459 462 HG SER 62 HG SER 62 -3.409 -1.999 13.864 463 HA PRO 63 HA PRO 63 -5.187 1.292 10.355 464 HB2 PRO 63 HB3 PRO 63 -5.401 2.931 12.615 465 HB3 PRO 63 HB2 PRO 63 -6.708 2.561 11.477 466 HG2 PRO 63 HG3 PRO 63 -6.139 1.409 14.144 467 HG3 PRO 63 HG2 PRO 63 -7.690 1.694 13.338 468 HD2 PRO 63 HD3 PRO 63 -6.603 -0.788 13.550 469 HD3 PRO 63 HD2 PRO 63 -7.603 -0.304 12.162 470 H GLU 64 H GLU 64 -3.754 0.252 13.405 471 HA GLU 64 HA GLU 64 -1.545 2.071 13.426 472 HB2 GLU 64 HB3 GLU 64 -1.802 -0.716 14.560 473 HB3 GLU 64 HB2 GLU 64 -0.480 0.383 14.923 474 HG2 GLU 64 HG3 GLU 64 -2.120 2.028 15.778 475 HG3 GLU 64 HG2 GLU 64 -3.408 0.867 15.482 476 H HIS 65 H HIS 65 -2.120 -0.979 11.792 477 HA HIS 65 HA HIS 65 0.598 -1.479 10.994 478 HB2 HIS 65 HB3 HIS 65 -1.200 -3.198 10.983 479 HB3 HIS 65 HB2 HIS 65 -1.969 -2.353 9.640 480 HD1 HIS 65 HD1 HIS 65 1.390 -3.960 10.477 481 HD2 HIS 65 HD2 HIS 65 -0.993 -3.109 7.161 482 HE1 HIS 65 HE1 HIS 65 2.534 -5.020 8.479 483 HE2 HIS 65 HE2 HIS 65 1.096 -4.501 6.457 484 H PHE 66 H PHE 66 -1.918 0.590 9.695 485 HA PHE 66 HA PHE 66 -0.492 0.914 7.136 486 HB2 PHE 66 HB3 PHE 66 -2.993 2.210 8.251 487 HB3 PHE 66 HB2 PHE 66 -2.347 2.529 6.642 488 HD1 PHE 66 HD1 PHE 66 -2.319 0.773 4.916 489 HD2 PHE 66 HD2 PHE 66 -4.043 0.085 8.788 490 HE1 PHE 66 HE1 PHE 66 -3.446 -1.260 4.053 491 HE2 PHE 66 HE2 PHE 66 -5.171 -1.948 7.925 492 HZ PHE 66 HZ PHE 66 -4.872 -2.621 5.558 493 H ARG 67 H ARG 67 0.216 2.025 10.092 494 HA ARG 67 HA ARG 67 0.382 4.847 9.862 495 HB2 ARG 67 HB3 ARG 67 2.242 2.921 11.286 496 HB3 ARG 67 HB2 ARG 67 2.234 4.666 11.525 497 HG2 ARG 67 HG3 ARG 67 -0.298 3.093 11.837 498 HG3 ARG 67 HG2 ARG 67 0.858 3.175 13.165 499 HD2 ARG 67 HD3 ARG 67 0.778 5.695 12.951 500 HD3 ARG 67 HD2 ARG 67 -0.552 5.493 11.810 501 HE ARG 67 HE ARG 67 -1.961 4.864 13.618 502 HH11 ARG 67 HH11 ARG 67 -2.374 4.708 15.834 503 HH12 ARG 67 HH12 ARG 67 -1.051 4.739 16.952 504 HH21 ARG 67 HH21 ARG 67 1.369 5.052 14.489 505 HH22 ARG 67 HH22 ARG 67 1.067 4.934 16.191 506 H SER 68 H SER 68 2.554 2.317 8.642 507 HA SER 68 HA SER 68 3.929 4.445 7.055 508 HB2 SER 68 HB3 SER 68 6.080 3.373 7.438 509 HB3 SER 68 HB2 SER 68 5.344 3.743 8.994 510 HG SER 68 HG SER 68 5.366 1.251 7.628 511 H ILE 69 H ILE 69 4.663 3.754 4.984 512 HA ILE 69 HA ILE 69 3.077 1.735 3.719 513 HB ILE 69 HB ILE 69 5.631 3.069 2.776 514 HG12 ILE 69 HG13 ILE 69 2.746 3.777 2.221 515 HG13 ILE 69 HG12 ILE 69 3.758 4.612 3.391 516 HG21 ILE 69 HG21 ILE 69 3.794 2.432 0.704 517 HG22 ILE 69 HG22 ILE 69 4.039 0.980 1.673 518 HG23 ILE 69 HG23 ILE 69 5.420 1.799 0.945 519 HD11 ILE 69 HD11 ILE 69 4.730 5.834 1.771 520 HD12 ILE 69 HD12 ILE 69 3.572 5.147 0.634 521 HD13 ILE 69 HD13 ILE 69 5.142 4.378 0.865 522 H ARG 70 H ARG 70 6.382 1.760 4.993 523 HA ARG 70 HA ARG 70 7.255 -0.712 3.890 524 HB2 ARG 70 HB3 ARG 70 7.989 0.610 6.518 525 HB3 ARG 70 HB2 ARG 70 8.869 -0.737 5.793 526 HG2 ARG 70 HG3 ARG 70 9.250 0.656 3.757 527 HG3 ARG 70 HG2 ARG 70 8.470 2.011 4.575 528 HD2 ARG 70 HD3 ARG 70 10.965 0.565 5.513 529 HD3 ARG 70 HD2 ARG 70 10.904 2.183 4.815 530 HE ARG 70 HE ARG 70 9.191 1.946 7.146 531 HH11 ARG 70 HH11 ARG 70 9.872 3.056 8.993 532 HH12 ARG 70 HH12 ARG 70 11.510 3.606 9.102 533 HH21 ARG 70 HH21 ARG 70 12.414 2.358 5.995 534 HH22 ARG 70 HH22 ARG 70 12.950 3.211 7.405 535 H SER 71 H SER 71 5.396 -0.006 6.835 536 HA SER 71 HA SER 71 5.479 -2.625 7.948 537 HB2 SER 71 HB3 SER 71 3.519 -1.937 9.219 538 HB3 SER 71 HB2 SER 71 4.641 -0.585 9.126 539 HG SER 71 HG SER 71 2.555 0.106 8.618 540 H ILE 72 H ILE 72 3.412 -1.176 5.468 541 HA ILE 72 HA ILE 72 1.497 -3.267 5.277 542 HB ILE 72 HB ILE 72 2.573 -1.444 3.103 543 HG12 ILE 72 HG13 ILE 72 0.141 -1.137 4.894 544 HG13 ILE 72 HG12 ILE 72 1.664 -0.280 5.131 545 HG21 ILE 72 HG21 ILE 72 1.163 -2.522 1.733 546 HG22 ILE 72 HG22 ILE 72 -0.179 -2.133 2.811 547 HG23 ILE 72 HG23 ILE 72 0.734 -3.625 3.040 548 HD11 ILE 72 HD11 ILE 72 1.360 0.461 2.649 549 HD12 ILE 72 HD12 ILE 72 0.396 1.259 3.892 550 HD13 ILE 72 HD13 ILE 72 -0.326 0.001 2.890 551 H ASP 73 H ASP 73 4.681 -2.805 3.794 552 HA ASP 73 HA ASP 73 4.615 -5.003 1.995 553 HB2 ASP 73 HB3 ASP 73 6.391 -3.193 2.138 554 HB3 ASP 73 HB2 ASP 73 7.054 -4.059 3.524 555 H ALA 74 H ALA 74 5.402 -4.851 5.456 556 HA ALA 74 HA ALA 74 6.379 -7.529 5.680 557 HB1 ALA 74 HB1 ALA 74 6.358 -7.183 7.979 558 HB2 ALA 74 HB2 ALA 74 4.864 -6.249 7.926 559 HB3 ALA 74 HB3 ALA 74 6.378 -5.519 7.395 560 H PHE 75 H PHE 75 3.103 -6.187 6.178 561 HA PHE 75 HA PHE 75 1.917 -8.732 6.811 562 HB2 PHE 75 HB3 PHE 75 0.824 -6.555 7.303 563 HB3 PHE 75 HB2 PHE 75 0.587 -6.314 5.574 564 HD1 PHE 75 HD1 PHE 75 -1.068 -7.582 4.338 565 HD2 PHE 75 HD2 PHE 75 -0.364 -8.354 8.504 566 HE1 PHE 75 HE1 PHE 75 -3.137 -8.946 4.435 567 HE2 PHE 75 HE2 PHE 75 -2.433 -9.719 8.600 568 HZ PHE 75 HZ PHE 75 -3.819 -10.015 6.566 569 H VAL 76 H VAL 76 2.206 -6.893 3.783 570 HA VAL 76 HA VAL 76 0.798 -8.744 2.140 571 HB VAL 76 HB VAL 76 2.999 -6.757 1.527 572 HG11 VAL 76 HG11 VAL 76 3.083 -8.393 -0.216 573 HG12 VAL 76 HG12 VAL 76 2.149 -7.040 -0.850 574 HG13 VAL 76 HG13 VAL 76 1.325 -8.495 -0.292 575 HG21 VAL 76 HG21 VAL 76 0.269 -6.387 0.484 576 HG22 VAL 76 HG22 VAL 76 1.329 -5.231 1.291 577 HG23 VAL 76 HG23 VAL 76 0.368 -6.362 2.244 578 H VAL 77 H VAL 77 4.250 -8.501 3.011 579 HA VAL 77 HA VAL 77 5.176 -10.592 1.318 580 HB VAL 77 HB VAL 77 6.179 -9.544 3.973 581 HG11 VAL 77 HG11 VAL 77 7.350 -11.490 4.013 582 HG12 VAL 77 HG12 VAL 77 8.329 -10.712 2.770 583 HG13 VAL 77 HG13 VAL 77 7.039 -11.824 2.311 584 HG21 VAL 77 HG21 VAL 77 7.620 -9.201 1.389 585 HG22 VAL 77 HG22 VAL 77 7.455 -8.079 2.739 586 HG23 VAL 77 HG23 VAL 77 6.130 -8.279 1.592 587 H GLY 78 H GLY 78 3.928 -10.635 4.648 588 HA2 GLY 78 HA3 GLY 78 4.425 -13.370 5.210 589 HA3 GLY 78 HA2 GLY 78 3.131 -12.421 5.941 590 H ALA 79 H ALA 79 1.749 -11.834 3.455 591 HA ALA 79 HA ALA 79 0.412 -14.444 3.135 592 HB1 ALA 79 HB1 ALA 79 -1.298 -13.118 1.894 593 HB2 ALA 79 HB2 ALA 79 -0.304 -11.680 2.124 594 HB3 ALA 79 HB3 ALA 79 -1.007 -12.498 3.519 595 H THR 80 H THR 80 1.815 -11.939 1.011 596 HA THR 80 HA THR 80 2.571 -14.091 -0.882 597 HB THR 80 HB THR 80 0.309 -13.150 -1.545 598 HG1 THR 80 HG1 THR 80 2.433 -12.629 -3.344 599 HG21 THR 80 HG21 THR 80 1.349 -10.746 -0.879 600 HG22 THR 80 HG22 THR 80 0.011 -10.934 -2.014 601 HG23 THR 80 HG23 THR 80 1.657 -10.734 -2.615 602 H THR 81 H THR 81 4.301 -13.442 -2.315 603 HA THR 81 HA THR 81 5.564 -10.826 -1.651 604 HB THR 81 HB THR 81 6.815 -12.343 -0.327 605 HG1 THR 81 HG1 THR 81 8.760 -12.651 -1.796 606 HG21 THR 81 HG21 THR 81 6.194 -14.189 -2.551 607 HG22 THR 81 HG22 THR 81 6.352 -14.515 -0.824 608 HG23 THR 81 HG23 THR 81 7.793 -14.392 -1.834 609 HA PRO 82 HA PRO 82 5.243 -11.368 -6.232 610 HB2 PRO 82 HB3 PRO 82 5.260 -8.427 -6.200 611 HB3 PRO 82 HB2 PRO 82 4.063 -9.533 -6.892 612 HG2 PRO 82 HG3 PRO 82 3.598 -8.051 -4.687 613 HG3 PRO 82 HG2 PRO 82 2.849 -9.630 -4.970 614 HD2 PRO 82 HD3 PRO 82 5.112 -8.919 -3.146 615 HD3 PRO 82 HD2 PRO 82 3.830 -10.134 -2.939 616 HA PRO 83 HA PRO 83 9.335 -10.379 -7.610 617 HB2 PRO 83 HB3 PRO 83 8.501 -8.237 -9.474 618 HB3 PRO 83 HB2 PRO 83 9.298 -9.783 -9.819 619 HG2 PRO 83 HG3 PRO 83 6.728 -9.317 -10.434 620 HG3 PRO 83 HG2 PRO 83 7.326 -10.919 -9.976 621 HD2 PRO 83 HD3 PRO 83 5.720 -8.977 -8.367 622 HD3 PRO 83 HD2 PRO 83 5.693 -10.754 -8.355 623 H VAL 84 H VAL 84 11.088 -8.907 -7.240 624 HA VAL 84 HA VAL 84 10.303 -6.505 -5.670 625 HB VAL 84 HB VAL 84 13.009 -7.850 -5.913 626 HG11 VAL 84 HG11 VAL 84 13.529 -5.743 -5.121 627 HG12 VAL 84 HG12 VAL 84 13.111 -6.525 -3.597 628 HG13 VAL 84 HG13 VAL 84 11.931 -5.501 -4.414 629 HG21 VAL 84 HG21 VAL 84 12.389 -8.564 -3.514 630 HG22 VAL 84 HG22 VAL 84 11.589 -9.420 -4.832 631 HG23 VAL 84 HG23 VAL 84 10.730 -8.156 -3.952 632 H GLU 85 H GLU 85 10.688 -4.487 -6.445 633 HA GLU 85 HA GLU 85 12.448 -4.216 -8.842 634 HB2 GLU 85 HB3 GLU 85 9.861 -2.737 -8.270 635 HB3 GLU 85 HB2 GLU 85 10.912 -2.462 -9.660 636 HG2 GLU 85 HG3 GLU 85 10.586 -4.833 -10.343 637 HG3 GLU 85 HG2 GLU 85 9.469 -5.045 -8.994 638 H ALA 86 H ALA 86 13.473 -2.081 -9.028 639 HA ALA 86 HA ALA 86 13.923 -0.869 -6.341 640 HB1 ALA 86 HB1 ALA 86 15.709 -1.704 -8.317 641 HB2 ALA 86 HB2 ALA 86 16.097 -0.690 -6.927 642 HB3 ALA 86 HB3 ALA 86 15.686 0.052 -8.473 643 H LYS 87 H LYS 87 13.819 1.428 -6.105 644 HA LYS 87 HA LYS 87 11.876 2.711 -7.871 645 HB2 LYS 87 HB3 LYS 87 13.467 3.773 -5.515 646 HB3 LYS 87 HB2 LYS 87 12.197 4.668 -6.348 647 HG2 LYS 87 HG3 LYS 87 10.602 2.816 -5.814 648 HG3 LYS 87 HG2 LYS 87 11.877 2.038 -4.874 649 HD2 LYS 87 HD3 LYS 87 12.049 4.100 -3.474 650 HD3 LYS 87 HD2 LYS 87 10.685 4.780 -4.362 651 HE2 LYS 87 HE3 LYS 87 10.086 3.653 -2.163 652 HE3 LYS 87 HE2 LYS 87 9.205 3.063 -3.572 653 HZ1 LYS 87 HZ1 LYS 87 10.393 1.437 -1.894 654 HZ2 LYS 87 HZ2 LYS 87 11.726 1.748 -2.901 655 HZ3 LYS 87 HZ3 LYS 87 10.301 1.093 -3.553 656 H LEU 88 H LEU 88 12.290 4.480 -9.260 657 HA LEU 88 HA LEU 88 14.767 4.492 -10.651 658 HB2 LEU 88 HB3 LEU 88 12.738 6.742 -10.466 659 HB3 LEU 88 HB2 LEU 88 13.952 6.537 -11.730 660 HG LEU 88 HG LEU 88 11.663 4.642 -11.121 661 HD11 LEU 88 HD11 LEU 88 10.602 5.487 -13.001 662 HD12 LEU 88 HD12 LEU 88 12.113 6.007 -13.748 663 HD13 LEU 88 HD13 LEU 88 11.413 6.945 -12.428 664 HD21 LEU 88 HD21 LEU 88 14.106 4.445 -12.847 665 HD22 LEU 88 HD22 LEU 88 12.603 3.731 -13.434 666 HD23 LEU 88 HD23 LEU 88 13.299 3.191 -11.906 667 H GLN 89 H GLN 89 13.627 6.420 -7.915 668 HA GLN 89 HA GLN 89 16.395 7.152 -7.288 669 HB2 GLN 89 HB3 GLN 89 15.688 8.889 -8.949 670 HB3 GLN 89 HB2 GLN 89 14.373 9.339 -7.863 671 HG2 GLN 89 HG3 GLN 89 15.996 9.885 -6.098 672 HG3 GLN 89 HG2 GLN 89 17.322 9.409 -7.159 673 HE21 GLN 89 HE21 GLN 89 17.442 12.007 -6.281 674 HE22 GLN 89 HE22 GLN 89 16.995 13.088 -7.511 675 H3 7V9 101 1H1 NIA 101 -10.396 2.730 7.509 676 H4 7V9 101 2H1 NIA 101 -11.207 1.183 7.265 677 H5 7V9 101 1HE1 NIA 101 -9.501 3.238 9.962 678 H6 7V9 101 2HE1 NIA 101 -9.776 1.994 11.182 679 H7 7V9 101 3HE1 NIA 101 -11.144 2.853 10.475 680 H8 7V9 101 2HE2 NIA 101 -8.895 0.013 8.251 681 H9 7V9 101 3HE2 NIA 101 -8.221 0.878 9.632 682 H10 7V9 101 1HE2 NIA 101 -8.435 1.708 8.090 683 H11 7V9 101 3H NIA 101 -11.281 -0.473 8.879 684 H12 7V9 101 3HO NIA 101 -12.446 -0.083 11.000 685 H13 7V9 101 5H NIA 101 -8.257 -1.169 10.344 686 H14 7V9 101 1H6 NIA 101 -9.265 -3.474 10.005 687 H15 7V9 101 2H6 NIA 101 -10.651 -2.635 9.310 688 H16 7V9 101 1H7 NIA 101 -7.909 -2.191 8.160 689 H17 7V9 101 2H7 NIA 101 -9.481 -2.032 7.376 690 H18 7V9 101 9H NIA 101 -9.712 -4.643 5.910 691 H19 7V9 101 1H10 NIA 101 -8.138 -3.046 4.719 692 H20 7V9 101 2H10 NIA 101 -6.955 -3.479 5.952 693 H21 7V9 101 1H11 NIA 101 -8.208 -5.471 4.039 694 H22 7V9 101 2H11 NIA 101 -6.881 -5.770 5.160 695 H25 7V9 101 5H1 NIA 101 -3.309 -5.749 3.327 696 H26 7V9 101 7H1 NIA 101 -1.926 -4.065 -0.255 697 H27 7V9 101 8H1 NIA 101 -4.065 -4.616 -1.383 698 H28 7V9 101 9H1 NIA 101 -5.981 -5.416 -0.001 Start of MODEL 12 1 H1 MET 1 H1 MET 1 12.682 -5.324 3.739 2 H2 MET 1 H2 MET 1 11.417 -5.331 4.875 3 H3 MET 1 H3 MET 1 12.549 -4.063 4.866 4 HA MET 1 HA MET 1 10.140 -3.962 3.689 5 HB2 MET 1 HB3 MET 1 12.738 -2.538 3.113 6 HB3 MET 1 HB2 MET 1 11.226 -2.066 2.336 7 HG2 MET 1 HG3 MET 1 10.184 -1.801 4.571 8 HG3 MET 1 HG2 MET 1 11.731 -2.197 5.319 9 HE1 MET 1 HE1 MET 1 14.099 0.509 4.516 10 HE2 MET 1 HE2 MET 1 13.801 -0.483 3.090 11 HE3 MET 1 HE3 MET 1 13.813 -1.228 4.687 12 H GLN 2 H GLN 2 9.649 -5.798 2.406 13 HA GLN 2 HA GLN 2 11.210 -6.101 -0.113 14 HB2 GLN 2 HB3 GLN 2 9.069 -7.864 1.124 15 HB3 GLN 2 HB2 GLN 2 9.931 -8.216 -0.374 16 HG2 GLN 2 HG3 GLN 2 12.070 -8.230 0.844 17 HG3 GLN 2 HG2 GLN 2 11.221 -7.860 2.346 18 HE21 GLN 2 HE21 GLN 2 12.745 -10.258 2.108 19 HE22 GLN 2 HE22 GLN 2 11.682 -11.581 2.114 20 H HIS 3 H HIS 3 10.368 -5.263 -1.971 21 HA HIS 3 HA HIS 3 8.815 -4.312 -3.459 22 HB2 HIS 3 HB3 HIS 3 6.589 -5.541 -1.852 23 HB3 HIS 3 HB2 HIS 3 6.712 -5.336 -3.599 24 HD1 HIS 3 HD1 HIS 3 7.374 -7.737 -0.899 25 HD2 HIS 3 HD2 HIS 3 8.670 -7.178 -4.823 26 HE1 HIS 3 HE1 HIS 3 8.471 -9.909 -1.609 27 HE2 HIS 3 HE2 HIS 3 9.267 -9.577 -3.995 28 H ALA 4 H ALA 4 9.458 -3.172 -0.658 29 HA ALA 4 HA ALA 4 7.157 -1.770 0.296 30 HB1 ALA 4 HB1 ALA 4 8.940 -0.167 1.234 31 HB2 ALA 4 HB2 ALA 4 10.124 -1.253 0.507 32 HB3 ALA 4 HB3 ALA 4 9.027 -1.851 1.752 33 H SER 5 H SER 5 9.592 -0.939 -2.151 34 HA SER 5 HA SER 5 8.805 1.764 -2.558 35 HB2 SER 5 HB3 SER 5 9.871 -0.168 -4.635 36 HB3 SER 5 HB2 SER 5 9.931 1.590 -4.714 37 HG SER 5 HG SER 5 11.141 1.440 -2.687 38 H VAL 6 H VAL 6 7.567 -1.250 -3.967 39 HA VAL 6 HA VAL 6 5.817 -0.002 -5.865 40 HB VAL 6 HB VAL 6 5.662 -2.686 -4.483 41 HG11 VAL 6 HG11 VAL 6 3.474 -2.489 -5.200 42 HG12 VAL 6 HG12 VAL 6 4.212 -3.058 -6.697 43 HG13 VAL 6 HG13 VAL 6 3.887 -1.339 -6.472 44 HG21 VAL 6 HG21 VAL 6 7.621 -2.261 -5.983 45 HG22 VAL 6 HG22 VAL 6 6.494 -1.919 -7.297 46 HG23 VAL 6 HG23 VAL 6 6.558 -3.532 -6.587 47 H ILE 7 H ILE 7 5.399 -0.927 -2.473 48 HA ILE 7 HA ILE 7 2.602 -0.471 -2.287 49 HB ILE 7 HB ILE 7 4.730 0.015 -0.184 50 HG12 ILE 7 HG13 ILE 7 3.049 -2.456 -0.717 51 HG13 ILE 7 HG12 ILE 7 4.721 -2.273 -1.247 52 HG21 ILE 7 HG21 ILE 7 2.765 -0.571 1.341 53 HG22 ILE 7 HG22 ILE 7 1.728 -0.355 -0.068 54 HG23 ILE 7 HG23 ILE 7 2.672 1.000 0.546 55 HD11 ILE 7 HD11 ILE 7 5.040 -1.626 1.343 56 HD12 ILE 7 HD12 ILE 7 5.124 -3.291 0.771 57 HD13 ILE 7 HD13 ILE 7 3.635 -2.681 1.495 58 H ALA 8 H ALA 8 5.307 1.771 -1.614 59 HA ALA 8 HA ALA 8 3.633 4.044 -1.108 60 HB1 ALA 8 HB1 ALA 8 6.394 4.249 -2.301 61 HB2 ALA 8 HB2 ALA 8 6.167 3.727 -0.631 62 HB3 ALA 8 HB3 ALA 8 5.615 5.323 -1.139 63 H GLN 9 H GLN 9 5.310 2.934 -4.035 64 HA GLN 9 HA GLN 9 4.408 5.052 -5.735 65 HB2 GLN 9 HB3 GLN 9 6.276 3.508 -6.296 66 HB3 GLN 9 HB2 GLN 9 5.114 2.193 -6.465 67 HG2 GLN 9 HG3 GLN 9 4.078 4.264 -8.041 68 HG3 GLN 9 HG2 GLN 9 5.811 4.274 -8.367 69 HE21 GLN 9 HE21 GLN 9 3.153 1.855 -7.982 70 HE22 GLN 9 HE22 GLN 9 3.699 0.843 -9.232 71 H PHE 10 H PHE 10 3.062 1.877 -4.953 72 HA PHE 10 HA PHE 10 0.908 1.943 -6.830 73 HB2 PHE 10 HB3 PHE 10 1.714 -0.099 -5.644 74 HB3 PHE 10 HB2 PHE 10 1.014 0.529 -4.153 75 HD1 PHE 10 HD1 PHE 10 -1.356 0.475 -3.761 76 HD2 PHE 10 HD2 PHE 10 0.255 -0.691 -7.567 77 HE1 PHE 10 HE1 PHE 10 -3.559 -0.468 -4.404 78 HE2 PHE 10 HE2 PHE 10 -1.948 -1.632 -8.212 79 HZ PHE 10 HZ PHE 10 -3.853 -1.522 -6.629 80 H VAL 11 H VAL 11 0.946 2.715 -3.338 81 HA VAL 11 HA VAL 11 -1.793 3.653 -3.371 82 HB VAL 11 HB VAL 11 -1.332 4.401 -1.090 83 HG11 VAL 11 HG11 VAL 11 -1.155 2.278 -0.217 84 HG12 VAL 11 HG12 VAL 11 0.226 1.866 -1.232 85 HG13 VAL 11 HG13 VAL 11 -1.402 1.851 -1.911 86 HG21 VAL 11 HG21 VAL 11 1.475 4.162 -2.056 87 HG22 VAL 11 HG22 VAL 11 1.164 3.739 -0.374 88 HG23 VAL 11 HG23 VAL 11 0.764 5.351 -0.967 89 H VAL 12 H VAL 12 1.378 5.255 -3.519 90 HA VAL 12 HA VAL 12 0.372 7.928 -3.331 91 HB VAL 12 HB VAL 12 2.869 6.878 -4.669 92 HG11 VAL 12 HG11 VAL 12 2.047 9.685 -3.881 93 HG12 VAL 12 HG12 VAL 12 2.331 9.094 -5.517 94 HG13 VAL 12 HG13 VAL 12 3.674 9.226 -4.384 95 HG21 VAL 12 HG21 VAL 12 2.285 6.679 -2.059 96 HG22 VAL 12 HG22 VAL 12 2.855 8.347 -2.073 97 HG23 VAL 12 HG23 VAL 12 3.916 7.049 -2.619 98 H GLU 13 H GLU 13 0.919 5.781 -6.093 99 HA GLU 13 HA GLU 13 0.528 7.595 -8.199 100 HB2 GLU 13 HB3 GLU 13 1.137 5.189 -8.468 101 HB3 GLU 13 HB2 GLU 13 -0.529 4.770 -8.089 102 HG2 GLU 13 HG3 GLU 13 -1.289 6.162 -10.005 103 HG3 GLU 13 HG2 GLU 13 0.399 6.460 -10.413 104 H GLU 14 H GLU 14 -1.869 6.037 -6.128 105 HA GLU 14 HA GLU 14 -4.171 6.865 -7.631 106 HB2 GLU 14 HB3 GLU 14 -3.850 6.210 -4.690 107 HB3 GLU 14 HB2 GLU 14 -5.404 6.438 -5.493 108 HG2 GLU 14 HG3 GLU 14 -4.837 4.601 -7.066 109 HG3 GLU 14 HG2 GLU 14 -3.323 4.348 -6.198 110 H PHE 15 H PHE 15 -2.204 8.460 -5.175 111 HA PHE 15 HA PHE 15 -3.809 10.938 -5.647 112 HB2 PHE 15 HB3 PHE 15 -2.612 10.618 -2.957 113 HB3 PHE 15 HB2 PHE 15 -4.167 11.306 -3.423 114 HD1 PHE 15 HD1 PHE 15 -6.111 9.832 -3.886 115 HD2 PHE 15 HD2 PHE 15 -2.377 8.276 -2.442 116 HE1 PHE 15 HE1 PHE 15 -7.233 7.707 -3.272 117 HE2 PHE 15 HE2 PHE 15 -3.497 6.151 -1.830 118 HZ PHE 15 HZ PHE 15 -5.927 5.867 -2.244 119 H LEU 16 H LEU 16 -1.326 10.231 -6.932 120 HA LEU 16 HA LEU 16 0.805 11.584 -5.487 121 HB2 LEU 16 HB3 LEU 16 2.221 10.749 -7.064 122 HB3 LEU 16 HB2 LEU 16 0.877 9.670 -7.360 123 HG LEU 16 HG LEU 16 1.448 12.219 -8.911 124 HD11 LEU 16 HD11 LEU 16 2.213 9.381 -9.234 125 HD12 LEU 16 HD12 LEU 16 2.998 10.840 -9.839 126 HD13 LEU 16 HD13 LEU 16 1.599 10.177 -10.684 127 HD21 LEU 16 HD21 LEU 16 -0.562 11.946 -9.950 128 HD22 LEU 16 HD22 LEU 16 -0.993 10.946 -8.566 129 HD23 LEU 16 HD23 LEU 16 -0.371 10.195 -10.032 130 HA PRO 17 HA PRO 17 -0.386 15.592 -7.129 131 HB2 PRO 17 HB3 PRO 17 1.605 17.074 -6.029 132 HB3 PRO 17 HB2 PRO 17 0.286 16.412 -5.051 133 HG2 PRO 17 HG3 PRO 17 3.071 15.419 -5.386 134 HG3 PRO 17 HG2 PRO 17 2.073 15.511 -3.926 135 HD2 PRO 17 HD3 PRO 17 2.442 13.199 -5.386 136 HD3 PRO 17 HD2 PRO 17 1.025 13.519 -4.360 137 H ASP 18 H ASP 18 1.857 17.466 -7.703 138 HA ASP 18 HA ASP 18 2.542 16.456 -10.346 139 HB2 ASP 18 HB3 ASP 18 3.644 18.621 -10.632 140 HB3 ASP 18 HB2 ASP 18 2.055 18.861 -9.914 141 H VAL 19 H VAL 19 3.627 15.409 -7.575 142 HA VAL 19 HA VAL 19 6.522 15.447 -8.337 143 HB VAL 19 HB VAL 19 5.281 14.864 -5.631 144 HG11 VAL 19 HG11 VAL 19 7.344 13.836 -5.508 145 HG12 VAL 19 HG12 VAL 19 7.825 15.482 -5.098 146 HG13 VAL 19 HG13 VAL 19 8.055 14.878 -6.739 147 HG21 VAL 19 HG21 VAL 19 4.938 17.146 -5.787 148 HG22 VAL 19 HG22 VAL 19 6.244 17.368 -6.951 149 HG23 VAL 19 HG23 VAL 19 6.615 17.149 -5.241 150 H ALA 20 H ALA 20 7.503 13.483 -8.750 151 HA ALA 20 HA ALA 20 5.827 11.159 -9.111 152 HB1 ALA 20 HB1 ALA 20 7.515 10.807 -10.567 153 HB2 ALA 20 HB2 ALA 20 8.469 10.274 -9.183 154 HB3 ALA 20 HB3 ALA 20 8.563 11.949 -9.724 155 HA PRO 21 HA PRO 21 5.944 9.422 -4.986 156 HB2 PRO 21 HB3 PRO 21 6.513 6.817 -6.300 157 HB3 PRO 21 HB2 PRO 21 5.220 7.252 -5.169 158 HG2 PRO 21 HG3 PRO 21 4.826 6.903 -7.820 159 HG3 PRO 21 HG2 PRO 21 3.845 7.980 -6.816 160 HD2 PRO 21 HD3 PRO 21 5.834 8.670 -8.883 161 HD3 PRO 21 HD2 PRO 21 4.521 9.649 -8.195 162 H ALA 22 H ALA 22 8.459 8.620 -7.327 163 HA ALA 22 HA ALA 22 10.334 7.469 -5.491 164 HB1 ALA 22 HB1 ALA 22 11.964 8.513 -7.360 165 HB2 ALA 22 HB2 ALA 22 10.438 8.614 -8.238 166 HB3 ALA 22 HB3 ALA 22 11.014 7.055 -7.648 167 H ASP 23 H ASP 23 9.373 10.736 -6.117 168 HA ASP 23 HA ASP 23 11.745 11.819 -4.703 169 HB2 ASP 23 HB3 ASP 23 9.435 13.163 -6.133 170 HB3 ASP 23 HB2 ASP 23 10.717 14.040 -5.296 171 H VAL 24 H VAL 24 9.027 10.384 -3.763 172 HA VAL 24 HA VAL 24 8.364 12.356 -1.629 173 HB VAL 24 HB VAL 24 6.937 9.790 -2.399 174 HG11 VAL 24 HG11 VAL 24 5.918 10.108 -0.409 175 HG12 VAL 24 HG12 VAL 24 5.199 11.558 -1.109 176 HG13 VAL 24 HG13 VAL 24 6.698 11.673 -0.187 177 HG21 VAL 24 HG21 VAL 24 6.202 12.671 -3.009 178 HG22 VAL 24 HG22 VAL 24 5.313 11.232 -3.507 179 HG23 VAL 24 HG23 VAL 24 6.911 11.557 -4.177 180 H ASP 25 H ASP 25 8.867 11.889 0.496 181 HA ASP 25 HA ASP 25 10.794 9.810 1.016 182 HB2 ASP 25 HB3 ASP 25 9.176 11.562 2.890 183 HB3 ASP 25 HB2 ASP 25 10.477 10.492 3.414 184 H VAL 26 H VAL 26 9.763 7.829 0.419 185 HA VAL 26 HA VAL 26 7.214 6.967 1.362 186 HB VAL 26 HB VAL 26 7.964 4.708 0.816 187 HG11 VAL 26 HG11 VAL 26 7.584 6.516 -0.994 188 HG12 VAL 26 HG12 VAL 26 8.436 5.049 -1.476 189 HG13 VAL 26 HG13 VAL 26 9.340 6.530 -1.157 190 HG21 VAL 26 HG21 VAL 26 10.429 4.496 0.079 191 HG22 VAL 26 HG22 VAL 26 10.116 4.570 1.813 192 HG23 VAL 26 HG23 VAL 26 10.692 6.001 0.958 193 H ASP 27 H ASP 27 9.810 7.833 3.185 194 HA ASP 27 HA ASP 27 9.467 5.745 5.259 195 HB2 ASP 27 HB3 ASP 27 11.284 8.170 5.090 196 HB3 ASP 27 HB2 ASP 27 11.258 7.044 6.447 197 H LEU 28 H LEU 28 7.674 8.226 4.336 198 HA LEU 28 HA LEU 28 7.269 9.516 6.965 199 HB2 LEU 28 HB3 LEU 28 7.202 10.843 4.845 200 HB3 LEU 28 HB2 LEU 28 5.783 9.924 4.354 201 HG LEU 28 HG LEU 28 5.068 10.733 6.879 202 HD11 LEU 28 HD11 LEU 28 6.614 12.996 5.583 203 HD12 LEU 28 HD12 LEU 28 7.095 12.140 7.049 204 HD13 LEU 28 HD13 LEU 28 5.628 13.120 7.040 205 HD21 LEU 28 HD21 LEU 28 3.607 10.868 4.960 206 HD22 LEU 28 HD22 LEU 28 4.640 12.074 4.195 207 HD23 LEU 28 HD23 LEU 28 3.727 12.489 5.645 208 H ASP 29 H ASP 29 5.499 9.115 8.274 209 HA ASP 29 HA ASP 29 4.106 6.642 7.996 210 HB2 ASP 29 HB3 ASP 29 3.421 9.128 9.599 211 HB3 ASP 29 HB2 ASP 29 2.580 7.586 9.765 212 H LEU 30 H LEU 30 2.516 6.177 6.556 213 HA LEU 30 HA LEU 30 1.386 8.212 4.863 214 HB2 LEU 30 HB3 LEU 30 -0.017 6.380 3.973 215 HB3 LEU 30 HB2 LEU 30 1.674 5.891 4.095 216 HG LEU 30 HG LEU 30 0.336 5.340 6.586 217 HD11 LEU 30 HD11 LEU 30 -1.164 3.521 5.630 218 HD12 LEU 30 HD12 LEU 30 -0.977 4.306 4.063 219 HD13 LEU 30 HD13 LEU 30 -1.740 5.171 5.398 220 HD21 LEU 30 HD21 LEU 30 1.176 3.080 6.126 221 HD22 LEU 30 HD22 LEU 30 2.406 4.275 5.717 222 HD23 LEU 30 HD23 LEU 30 1.459 3.514 4.440 223 H VAL 31 H VAL 31 0.808 7.824 8.017 224 HA VAL 31 HA VAL 31 -1.976 7.555 8.353 225 HB VAL 31 HB VAL 31 -0.159 7.856 10.155 226 HG11 VAL 31 HG11 VAL 31 0.587 10.066 9.099 227 HG12 VAL 31 HG12 VAL 31 0.373 10.076 10.849 228 HG13 VAL 31 HG13 VAL 31 -0.864 10.776 9.805 229 HG21 VAL 31 HG21 VAL 31 -1.937 9.361 11.512 230 HG22 VAL 31 HG22 VAL 31 -2.233 7.665 11.133 231 HG23 VAL 31 HG23 VAL 31 -2.940 8.929 10.127 232 H ASP 32 H ASP 32 -0.088 10.387 7.369 233 HA ASP 32 HA ASP 32 -2.199 12.297 7.409 234 HB2 ASP 32 HB3 ASP 32 0.187 12.047 5.546 235 HB3 ASP 32 HB2 ASP 32 -0.869 13.458 5.614 236 H ASN 33 H ASN 33 -1.257 9.840 5.078 237 HA ASN 33 HA ASN 33 -3.380 10.612 3.195 238 HB2 ASN 33 HB3 ASN 33 -1.504 8.243 3.166 239 HB3 ASN 33 HB2 ASN 33 -2.539 8.755 1.838 240 HD21 ASN 33 HD21 ASN 33 0.577 8.756 2.465 241 HD22 ASN 33 HD22 ASN 33 1.052 10.281 1.892 242 H GLY 34 H GLY 34 -3.767 9.514 6.047 243 HA2 GLY 34 HA3 GLY 34 -4.757 6.947 6.198 244 HA3 GLY 34 HA2 GLY 34 -5.542 8.297 7.017 245 H VAL 35 H VAL 35 -5.856 9.406 4.098 246 HA VAL 35 HA VAL 35 -8.595 8.798 3.762 247 HB VAL 35 HB VAL 35 -6.494 9.586 1.721 248 HG11 VAL 35 HG11 VAL 35 -8.747 10.369 0.543 249 HG12 VAL 35 HG12 VAL 35 -9.420 9.017 1.454 250 HG13 VAL 35 HG13 VAL 35 -8.114 8.742 0.299 251 HG21 VAL 35 HG21 VAL 35 -7.220 11.794 2.083 252 HG22 VAL 35 HG22 VAL 35 -7.243 11.105 3.707 253 HG23 VAL 35 HG23 VAL 35 -8.745 11.275 2.798 254 H ILE 36 H ILE 36 -5.720 7.138 2.567 255 HA ILE 36 HA ILE 36 -7.113 5.273 0.866 256 HB ILE 36 HB ILE 36 -4.577 5.902 0.961 257 HG12 ILE 36 HG13 ILE 36 -5.728 3.140 0.533 258 HG13 ILE 36 HG12 ILE 36 -5.270 4.337 -0.680 259 HG21 ILE 36 HG21 ILE 36 -4.514 3.489 2.772 260 HG22 ILE 36 HG22 ILE 36 -4.555 5.124 3.434 261 HG23 ILE 36 HG23 ILE 36 -3.213 4.623 2.406 262 HD11 ILE 36 HD11 ILE 36 -2.885 4.030 0.523 263 HD12 ILE 36 HD12 ILE 36 -3.402 3.009 -0.818 264 HD13 ILE 36 HD13 ILE 36 -3.561 2.432 0.841 265 H ASP 37 H ASP 37 -6.542 5.423 4.289 266 HA ASP 37 HA ASP 37 -6.602 2.707 5.007 267 HB2 ASP 37 HB3 ASP 37 -7.801 5.078 6.459 268 HB3 ASP 37 HB2 ASP 37 -7.565 3.485 7.173 269 H SER 38 H SER 38 -9.305 4.800 4.078 270 HA SER 38 HA SER 38 -11.113 2.447 4.459 271 HB2 SER 38 2HB SER 38 -11.758 5.400 4.495 272 HB3 SER 38 1HB SER 38 -12.951 4.110 4.623 273 H LEU 39 H LEU 39 -11.100 5.414 2.446 274 HA LEU 39 HA LEU 39 -12.689 4.254 0.391 275 HB2 LEU 39 HB3 LEU 39 -10.822 6.605 0.468 276 HB3 LEU 39 HB2 LEU 39 -11.612 6.134 -1.033 277 HG LEU 39 HG LEU 39 -12.844 7.888 0.334 278 HD11 LEU 39 HD11 LEU 39 -14.857 5.834 0.348 279 HD12 LEU 39 HD12 LEU 39 -13.816 5.607 -1.057 280 HD13 LEU 39 HD13 LEU 39 -14.635 7.148 -0.806 281 HD21 LEU 39 HD21 LEU 39 -12.302 6.768 2.539 282 HD22 LEU 39 HD22 LEU 39 -13.482 5.524 2.123 283 HD23 LEU 39 HD23 LEU 39 -14.000 7.196 2.334 284 H GLY 40 H GLY 40 -9.165 4.777 0.491 285 HA2 GLY 40 HA3 GLY 40 -8.703 3.326 -1.962 286 HA3 GLY 40 HA2 GLY 40 -7.471 3.790 -0.796 287 H LEU 41 H LEU 41 -8.538 2.468 1.475 288 HA LEU 41 HA LEU 41 -7.416 -0.117 1.181 289 HB2 LEU 41 HB3 LEU 41 -7.791 1.093 3.354 290 HB3 LEU 41 HB2 LEU 41 -9.507 0.715 3.210 291 HG LEU 41 HG LEU 41 -7.677 -1.593 2.887 292 HD11 LEU 41 HD11 LEU 41 -7.343 -1.800 5.337 293 HD12 LEU 41 HD12 LEU 41 -8.063 -0.206 5.559 294 HD13 LEU 41 HD13 LEU 41 -6.536 -0.371 4.692 295 HD21 LEU 41 HD21 LEU 41 -9.422 -2.626 4.336 296 HD22 LEU 41 HD22 LEU 41 -10.121 -1.843 2.920 297 HD23 LEU 41 HD23 LEU 41 -10.198 -1.051 4.494 298 H LEU 42 H LEU 42 -10.798 0.958 0.997 299 HA LEU 42 HA LEU 42 -11.946 -1.650 0.739 300 HB2 LEU 42 HB3 LEU 42 -13.252 0.445 1.174 301 HB3 LEU 42 HB2 LEU 42 -12.939 0.939 -0.482 302 HG LEU 42 HG LEU 42 -13.986 -1.267 -1.217 303 HD11 LEU 42 HD11 LEU 42 -15.683 -2.047 0.597 304 HD12 LEU 42 HD12 LEU 42 -14.581 -1.274 1.732 305 HD13 LEU 42 HD13 LEU 42 -14.014 -2.596 0.715 306 HD21 LEU 42 HD21 LEU 42 -16.361 -0.301 -0.355 307 HD22 LEU 42 HD22 LEU 42 -15.444 0.446 -1.664 308 HD23 LEU 42 HD23 LEU 42 -15.338 1.099 -0.029 309 H LYS 43 H LYS 43 -10.781 0.678 -1.693 310 HA LYS 43 HA LYS 43 -11.428 -0.938 -3.969 311 HB2 LYS 43 HB3 LYS 43 -9.351 1.223 -3.592 312 HB3 LYS 43 HB2 LYS 43 -9.797 0.534 -5.149 313 HG2 LYS 43 HG3 LYS 43 -12.161 1.224 -4.731 314 HG3 LYS 43 HG2 LYS 43 -11.631 2.016 -3.247 315 HD2 LYS 43 HD3 LYS 43 -10.060 3.409 -4.597 316 HD3 LYS 43 HD2 LYS 43 -10.717 2.677 -6.061 317 HE2 LYS 43 HE3 LYS 43 -13.025 3.439 -4.932 318 HE3 LYS 43 HE2 LYS 43 -11.966 4.646 -4.202 319 HZ1 LYS 43 HZ1 LYS 43 -11.388 4.326 -6.960 320 HZ2 LYS 43 HZ2 LYS 43 -11.837 5.729 -6.114 321 HZ3 LYS 43 HZ3 LYS 43 -13.030 4.694 -6.742 322 H VAL 44 H VAL 44 -8.608 -0.743 -1.857 323 HA VAL 44 HA VAL 44 -6.810 -2.282 -3.430 324 HB VAL 44 HB VAL 44 -7.062 -1.974 -0.430 325 HG11 VAL 44 HG11 VAL 44 -4.652 -2.786 -0.469 326 HG12 VAL 44 HG12 VAL 44 -4.945 -3.320 -2.124 327 HG13 VAL 44 HG13 VAL 44 -5.868 -4.022 -0.794 328 HG21 VAL 44 HG21 VAL 44 -5.676 -0.157 -0.652 329 HG22 VAL 44 HG22 VAL 44 -6.390 -0.102 -2.264 330 HG23 VAL 44 HG23 VAL 44 -4.813 -0.854 -2.023 331 H ILE 45 H ILE 45 -9.203 -3.318 -0.997 332 HA ILE 45 HA ILE 45 -8.532 -6.075 -1.005 333 HB ILE 45 HB ILE 45 -10.933 -4.460 -0.290 334 HG12 ILE 45 HG13 ILE 45 -10.658 -5.798 1.815 335 HG13 ILE 45 HG12 ILE 45 -9.286 -6.617 1.070 336 HG21 ILE 45 HG21 ILE 45 -12.095 -6.171 -1.445 337 HG22 ILE 45 HG22 ILE 45 -12.101 -6.686 0.241 338 HG23 ILE 45 HG23 ILE 45 -10.972 -7.417 -0.899 339 HD11 ILE 45 HD11 ILE 45 -8.435 -4.795 2.423 340 HD12 ILE 45 HD12 ILE 45 -9.537 -3.654 1.653 341 HD13 ILE 45 HD13 ILE 45 -8.216 -4.368 0.726 342 H ALA 46 H ALA 46 -10.992 -4.341 -2.947 343 HA ALA 46 HA ALA 46 -11.717 -6.656 -4.494 344 HB1 ALA 46 HB1 ALA 46 -12.451 -3.884 -4.372 345 HB2 ALA 46 HB2 ALA 46 -13.321 -5.214 -5.133 346 HB3 ALA 46 HB3 ALA 46 -12.119 -4.307 -6.051 347 H TRP 47 H TRP 47 -9.294 -4.109 -4.934 348 HA TRP 47 HA TRP 47 -8.564 -4.856 -7.616 349 HB2 TRP 47 HB3 TRP 47 -7.862 -2.701 -6.908 350 HB3 TRP 47 HB2 TRP 47 -7.148 -3.335 -5.426 351 HD1 TRP 47 HD1 TRP 47 -6.631 -3.570 -9.249 352 HE1 TRP 47 HE1 TRP 47 -4.118 -3.939 -9.695 353 HE3 TRP 47 HE3 TRP 47 -4.925 -3.932 -4.449 354 HZ2 TRP 47 HZ2 TRP 47 -1.704 -4.330 -8.212 355 HZ3 TRP 47 HZ3 TRP 47 -2.516 -4.302 -3.996 356 HH2 TRP 47 HH2 TRP 47 -0.906 -4.502 -5.869 357 H LEU 48 H LEU 48 -7.278 -5.734 -4.417 358 HA LEU 48 HA LEU 48 -5.088 -7.280 -5.306 359 HB2 LEU 48 HB3 LEU 48 -5.599 -6.622 -2.923 360 HB3 LEU 48 HB2 LEU 48 -6.834 -7.870 -2.905 361 HG LEU 48 HG LEU 48 -4.900 -9.423 -3.729 362 HD11 LEU 48 HD11 LEU 48 -2.761 -8.665 -3.528 363 HD12 LEU 48 HD12 LEU 48 -3.134 -7.718 -2.088 364 HD13 LEU 48 HD13 LEU 48 -3.516 -7.080 -3.685 365 HD21 LEU 48 HD21 LEU 48 -4.131 -9.319 -1.111 366 HD22 LEU 48 HD22 LEU 48 -5.612 -10.099 -1.665 367 HD23 LEU 48 HD23 LEU 48 -5.665 -8.452 -1.038 368 H GLU 49 H GLU 49 -8.455 -8.269 -4.663 369 HA GLU 49 HA GLU 49 -8.040 -11.017 -5.420 370 HB2 GLU 49 HB3 GLU 49 -9.972 -10.270 -4.062 371 HB3 GLU 49 HB2 GLU 49 -10.593 -9.380 -5.444 372 HG2 GLU 49 HG3 GLU 49 -10.699 -11.500 -6.723 373 HG3 GLU 49 HG2 GLU 49 -10.166 -12.366 -5.289 374 H ASP 50 H ASP 50 -9.037 -8.113 -7.172 375 HA ASP 50 HA ASP 50 -9.723 -9.412 -9.625 376 HB2 ASP 50 HB3 ASP 50 -10.301 -7.054 -9.000 377 HB3 ASP 50 HB2 ASP 50 -8.613 -6.628 -9.274 378 H ARG 51 H ARG 51 -6.659 -8.036 -8.460 379 HA ARG 51 HA ARG 51 -5.310 -8.753 -10.969 380 HB2 ARG 51 HB3 ARG 51 -4.757 -6.670 -9.723 381 HB3 ARG 51 HB2 ARG 51 -4.136 -7.662 -8.402 382 HG2 ARG 51 HG3 ARG 51 -2.513 -8.699 -9.958 383 HG3 ARG 51 HG2 ARG 51 -3.112 -7.666 -11.256 384 HD2 ARG 51 HD3 ARG 51 -2.502 -5.668 -9.887 385 HD3 ARG 51 HD2 ARG 51 -1.797 -6.747 -8.684 386 HE ARG 51 HE ARG 51 -0.602 -6.028 -11.239 387 HH11 ARG 51 HH11 ARG 51 1.406 -6.969 -11.678 388 HH12 ARG 51 HH12 ARG 51 1.934 -8.326 -10.740 389 HH21 ARG 51 HH21 ARG 51 -0.916 -8.411 -8.767 390 HH22 ARG 51 HH22 ARG 51 0.620 -9.142 -9.093 391 H PHE 52 H PHE 52 -4.708 -9.609 -7.528 392 HA PHE 52 HA PHE 52 -2.977 -11.802 -8.337 393 HB2 PHE 52 HB3 PHE 52 -4.068 -10.936 -5.654 394 HB3 PHE 52 HB2 PHE 52 -2.942 -12.273 -5.866 395 HD1 PHE 52 HD1 PHE 52 -0.675 -11.858 -6.853 396 HD2 PHE 52 HD2 PHE 52 -3.333 -8.660 -5.780 397 HE1 PHE 52 HE1 PHE 52 1.220 -10.262 -6.919 398 HE2 PHE 52 HE2 PHE 52 -1.437 -7.062 -5.844 399 HZ PHE 52 HZ PHE 52 0.840 -7.863 -6.414 400 H GLY 53 H GLY 53 -6.387 -11.527 -7.711 401 HA2 GLY 53 HA3 GLY 53 -8.018 -13.235 -8.021 402 HA3 GLY 53 HA2 GLY 53 -6.707 -14.369 -8.337 403 H ILE 54 H ILE 54 -6.698 -12.364 -5.476 404 HA ILE 54 HA ILE 54 -7.010 -14.835 -3.836 405 HB ILE 54 HB ILE 54 -5.891 -12.124 -3.057 406 HG12 ILE 54 HG13 ILE 54 -4.368 -14.687 -3.592 407 HG13 ILE 54 HG12 ILE 54 -4.602 -13.446 -4.824 408 HG21 ILE 54 HG21 ILE 54 -6.458 -13.095 -1.032 409 HG22 ILE 54 HG22 ILE 54 -4.860 -13.803 -1.268 410 HG23 ILE 54 HG23 ILE 54 -6.304 -14.737 -1.657 411 HD11 ILE 54 HD11 ILE 54 -2.434 -13.259 -3.513 412 HD12 ILE 54 HD12 ILE 54 -3.413 -12.861 -2.101 413 HD13 ILE 54 HD13 ILE 54 -3.434 -11.807 -3.515 414 H ALA 55 H ALA 55 -8.587 -14.914 -2.214 415 HA ALA 55 HA ALA 55 -10.940 -13.335 -2.545 416 HB1 ALA 55 HB1 ALA 55 -11.229 -14.255 -0.013 417 HB2 ALA 55 HB2 ALA 55 -9.958 -15.338 -0.581 418 HB3 ALA 55 HB3 ALA 55 -11.499 -15.262 -1.436 419 H ALA 56 H ALA 56 -11.813 -11.705 -1.090 420 HA ALA 56 HA ALA 56 -10.051 -9.616 -0.447 421 HB1 ALA 56 HB1 ALA 56 -12.412 -9.166 -0.579 422 HB2 ALA 56 HB2 ALA 56 -11.914 -8.808 1.075 423 HB3 ALA 56 HB3 ALA 56 -12.759 -10.315 0.715 424 H ASP 57 H ASP 57 -11.190 -12.286 1.599 425 HA ASP 57 HA ASP 57 -10.453 -12.986 3.720 426 HB2 ASP 57 HB3 ASP 57 -7.906 -11.785 2.617 427 HB3 ASP 57 HB2 ASP 57 -7.984 -12.797 4.056 428 H ASP 58 H ASP 58 -11.853 -10.624 3.876 429 HA ASP 58 HA ASP 58 -10.486 -8.420 5.027 430 HB2 ASP 58 HB3 ASP 58 -13.306 -9.418 5.449 431 HB3 ASP 58 HB2 ASP 58 -12.719 -7.862 6.031 432 H VAL 59 H VAL 59 -9.673 -8.070 7.039 433 HA VAL 59 HA VAL 59 -10.354 -10.015 9.199 434 HB VAL 59 HB VAL 59 -7.952 -9.917 9.912 435 HG11 VAL 59 HG11 VAL 59 -9.081 -11.247 7.598 436 HG12 VAL 59 HG12 VAL 59 -7.927 -11.867 8.779 437 HG13 VAL 59 HG13 VAL 59 -7.353 -10.975 7.369 438 HG21 VAL 59 HG21 VAL 59 -6.295 -8.935 8.502 439 HG22 VAL 59 HG22 VAL 59 -7.571 -7.724 8.618 440 HG23 VAL 59 HG23 VAL 59 -7.439 -8.728 7.176 441 H GLU 60 H GLU 60 -9.920 -9.094 11.395 442 HA GLU 60 HA GLU 60 -10.556 -6.204 11.387 443 HB2 GLU 60 HB3 GLU 60 -11.885 -7.768 12.797 444 HB3 GLU 60 HB2 GLU 60 -10.428 -8.147 13.709 445 HG2 GLU 60 HG3 GLU 60 -10.201 -5.759 14.300 446 HG3 GLU 60 HG2 GLU 60 -11.695 -5.421 13.438 447 H LEU 61 H LEU 61 -8.955 -4.751 11.613 448 HA LEU 61 HA LEU 61 -6.604 -5.461 13.293 449 HB2 LEU 61 HB3 LEU 61 -6.655 -4.707 10.435 450 HB3 LEU 61 HB2 LEU 61 -5.488 -3.820 11.405 451 HG LEU 61 HG LEU 61 -4.657 -6.028 12.281 452 HD11 LEU 61 HD11 LEU 61 -6.031 -7.791 11.930 453 HD12 LEU 61 HD12 LEU 61 -5.418 -7.787 10.277 454 HD13 LEU 61 HD13 LEU 61 -6.917 -6.945 10.661 455 HD21 LEU 61 HD21 LEU 61 -3.574 -6.672 10.053 456 HD22 LEU 61 HD22 LEU 61 -3.365 -4.997 10.562 457 HD23 LEU 61 HD23 LEU 61 -4.557 -5.401 9.326 458 H SER 62 H SER 62 -5.258 -3.042 13.108 459 HA SER 62 HA SER 62 -7.286 -1.018 13.934 460 HB2 SER 62 HB3 SER 62 -6.496 -1.109 16.041 461 HB3 SER 62 HB2 SER 62 -5.277 -2.288 15.566 462 HG SER 62 HG SER 62 -3.856 -0.707 15.236 463 HA PRO 63 HA PRO 63 -5.231 1.892 11.369 464 HB2 PRO 63 HB3 PRO 63 -4.925 4.046 13.117 465 HB3 PRO 63 HB2 PRO 63 -6.387 3.681 12.185 466 HG2 PRO 63 HG3 PRO 63 -5.768 3.132 15.031 467 HG3 PRO 63 HG2 PRO 63 -7.310 3.547 14.266 468 HD2 PRO 63 HD3 PRO 63 -6.725 1.014 15.054 469 HD3 PRO 63 HD2 PRO 63 -7.749 1.356 13.643 470 H GLU 64 H GLU 64 -3.782 1.052 14.414 471 HA GLU 64 HA GLU 64 -1.316 2.435 14.236 472 HB2 GLU 64 HB3 GLU 64 -2.111 1.160 16.225 473 HB3 GLU 64 HB2 GLU 64 -1.765 -0.329 15.359 474 HG2 GLU 64 HG3 GLU 64 0.595 0.399 15.115 475 HG3 GLU 64 HG2 GLU 64 0.226 1.818 16.087 476 H HIS 65 H HIS 65 -2.424 -0.514 12.672 477 HA HIS 65 HA HIS 65 0.159 -1.388 11.747 478 HB2 HIS 65 HB3 HIS 65 -1.704 -2.941 11.877 479 HB3 HIS 65 HB2 HIS 65 -2.625 -1.981 10.718 480 HD1 HIS 65 HD1 HIS 65 -2.292 -2.520 8.292 481 HD2 HIS 65 HD2 HIS 65 0.773 -4.069 10.662 482 HE1 HIS 65 HE1 HIS 65 -0.841 -3.927 6.762 483 HE2 HIS 65 HE2 HIS 65 1.029 -4.869 8.193 484 H PHE 66 H PHE 66 -2.138 0.948 10.484 485 HA PHE 66 HA PHE 66 -0.732 0.993 7.874 486 HB2 PHE 66 HB3 PHE 66 -3.124 2.575 8.854 487 HB3 PHE 66 HB2 PHE 66 -2.512 2.553 7.200 488 HD1 PHE 66 HD1 PHE 66 -4.181 0.584 9.832 489 HD2 PHE 66 HD2 PHE 66 -2.831 0.621 5.757 490 HE1 PHE 66 HE1 PHE 66 -5.502 -1.461 9.379 491 HE2 PHE 66 HE2 PHE 66 -4.152 -1.428 5.302 492 HZ PHE 66 HZ PHE 66 -5.489 -2.470 7.115 493 H ARG 67 H ARG 67 0.034 2.249 10.752 494 HA ARG 67 HA ARG 67 0.313 5.049 10.321 495 HB2 ARG 67 HB3 ARG 67 2.071 3.186 11.942 496 HB3 ARG 67 HB2 ARG 67 2.050 4.942 12.078 497 HG2 ARG 67 HG3 ARG 67 -0.483 3.364 12.373 498 HG3 ARG 67 HG2 ARG 67 0.609 3.558 13.744 499 HD2 ARG 67 HD3 ARG 67 0.507 6.058 13.339 500 HD3 ARG 67 HD2 ARG 67 -0.774 5.748 12.169 501 HE ARG 67 HE ARG 67 -1.268 4.568 14.801 502 HH11 ARG 67 HH11 ARG 67 -3.036 5.432 15.911 503 HH12 ARG 67 HH12 ARG 67 -3.742 6.918 15.367 504 HH21 ARG 67 HH21 ARG 67 -1.540 7.300 12.717 505 HH22 ARG 67 HH22 ARG 67 -2.895 7.975 13.557 506 H SER 68 H SER 68 2.475 2.357 9.436 507 HA SER 68 HA SER 68 4.053 4.338 7.833 508 HB2 SER 68 HB3 SER 68 5.109 1.895 9.277 509 HB3 SER 68 HB2 SER 68 6.062 2.991 8.280 510 HG SER 68 HG SER 68 4.637 4.380 10.081 511 H ILE 69 H ILE 69 4.762 3.642 5.790 512 HA ILE 69 HA ILE 69 3.116 1.772 4.404 513 HB ILE 69 HB ILE 69 5.840 2.871 3.655 514 HG12 ILE 69 HG13 ILE 69 3.090 3.850 2.880 515 HG13 ILE 69 HG12 ILE 69 4.054 4.567 4.163 516 HG21 ILE 69 HG21 ILE 69 4.200 2.461 1.417 517 HG22 ILE 69 HG22 ILE 69 4.052 1.001 2.393 518 HG23 ILE 69 HG23 ILE 69 5.641 1.547 1.859 519 HD11 ILE 69 HD11 ILE 69 4.234 5.671 1.856 520 HD12 ILE 69 HD12 ILE 69 5.122 4.230 1.361 521 HD13 ILE 69 HD13 ILE 69 5.754 5.255 2.649 522 H ARG 70 H ARG 70 6.312 1.486 5.899 523 HA ARG 70 HA ARG 70 7.060 -1.025 4.802 524 HB2 ARG 70 HB3 ARG 70 7.691 0.159 7.522 525 HB3 ARG 70 HB2 ARG 70 8.525 -1.219 6.806 526 HG2 ARG 70 HG3 ARG 70 9.146 0.217 4.860 527 HG3 ARG 70 HG2 ARG 70 8.405 1.593 5.678 528 HD2 ARG 70 HD3 ARG 70 10.734 -0.057 6.701 529 HD3 ARG 70 HD2 ARG 70 10.810 1.601 6.104 530 HE ARG 70 HE ARG 70 8.950 1.697 8.169 531 HH11 ARG 70 HH11 ARG 70 9.545 2.163 10.299 532 HH12 ARG 70 HH12 ARG 70 11.167 1.854 10.818 533 HH21 ARG 70 HH21 ARG 70 12.202 0.638 7.740 534 HH22 ARG 70 HH22 ARG 70 12.672 0.990 9.370 535 H SER 71 H SER 71 5.039 -0.254 7.627 536 HA SER 71 HA SER 71 4.848 -2.901 8.658 537 HB2 SER 71 HB3 SER 71 2.869 -2.105 9.821 538 HB3 SER 71 HB2 SER 71 4.074 -0.824 9.829 539 HG SER 71 HG SER 71 2.816 0.345 8.610 540 H ILE 72 H ILE 72 3.053 -1.220 6.110 541 HA ILE 72 HA ILE 72 1.064 -3.239 5.713 542 HB ILE 72 HB ILE 72 2.231 -1.245 3.747 543 HG12 ILE 72 HG13 ILE 72 -0.253 -1.061 5.483 544 HG13 ILE 72 HG12 ILE 72 1.278 -0.266 5.855 545 HG21 ILE 72 HG21 ILE 72 -0.352 -2.826 3.752 546 HG22 ILE 72 HG22 ILE 72 0.995 -3.031 2.635 547 HG23 ILE 72 HG23 ILE 72 0.043 -1.548 2.604 548 HD11 ILE 72 HD11 ILE 72 -0.119 1.349 4.730 549 HD12 ILE 72 HD12 ILE 72 -0.488 0.206 3.439 550 HD13 ILE 72 HD13 ILE 72 1.143 0.860 3.599 551 H ASP 73 H ASP 73 4.301 -2.715 4.379 552 HA ASP 73 HA ASP 73 4.282 -4.691 2.359 553 HB2 ASP 73 HB3 ASP 73 6.117 -3.011 2.810 554 HB3 ASP 73 HB2 ASP 73 6.631 -4.029 4.155 555 H ALA 74 H ALA 74 4.882 -4.999 5.851 556 HA ALA 74 HA ALA 74 5.677 -7.750 5.778 557 HB1 ALA 74 HB1 ALA 74 5.502 -5.858 7.743 558 HB2 ALA 74 HB2 ALA 74 5.742 -7.578 8.050 559 HB3 ALA 74 HB3 ALA 74 4.123 -6.883 8.138 560 H PHE 75 H PHE 75 2.496 -6.207 6.128 561 HA PHE 75 HA PHE 75 1.022 -8.633 6.514 562 HB2 PHE 75 HB3 PHE 75 0.127 -6.340 6.948 563 HB3 PHE 75 HB2 PHE 75 0.067 -6.080 5.207 564 HD1 PHE 75 HD1 PHE 75 -1.628 -7.102 3.836 565 HD2 PHE 75 HD2 PHE 75 -1.303 -8.084 8.006 566 HE1 PHE 75 HE1 PHE 75 -3.824 -8.251 3.737 567 HE2 PHE 75 HE2 PHE 75 -3.498 -9.233 7.906 568 HZ PHE 75 HZ PHE 75 -4.759 -9.316 5.772 569 H VAL 76 H VAL 76 1.772 -6.763 3.570 570 HA VAL 76 HA VAL 76 0.376 -8.479 1.762 571 HB VAL 76 HB VAL 76 2.741 -6.627 1.359 572 HG11 VAL 76 HG11 VAL 76 2.022 -6.723 -1.049 573 HG12 VAL 76 HG12 VAL 76 0.970 -8.070 -0.622 574 HG13 VAL 76 HG13 VAL 76 2.717 -8.226 -0.446 575 HG21 VAL 76 HG21 VAL 76 0.104 -6.064 1.990 576 HG22 VAL 76 HG22 VAL 76 0.116 -5.950 0.230 577 HG23 VAL 76 HG23 VAL 76 1.216 -4.956 1.186 578 H VAL 77 H VAL 77 3.778 -8.451 2.867 579 HA VAL 77 HA VAL 77 4.675 -10.552 1.162 580 HB VAL 77 HB VAL 77 5.618 -9.568 3.862 581 HG11 VAL 77 HG11 VAL 77 6.490 -11.872 2.189 582 HG12 VAL 77 HG12 VAL 77 6.552 -11.666 3.939 583 HG13 VAL 77 HG13 VAL 77 7.752 -10.877 2.915 584 HG21 VAL 77 HG21 VAL 77 7.377 -8.517 2.561 585 HG22 VAL 77 HG22 VAL 77 5.828 -8.082 1.837 586 HG23 VAL 77 HG23 VAL 77 6.830 -9.326 1.092 587 H GLY 78 H GLY 78 3.304 -10.600 4.444 588 HA2 GLY 78 HA3 GLY 78 3.621 -13.384 4.927 589 HA3 GLY 78 HA2 GLY 78 2.401 -12.365 5.689 590 H ALA 79 H ALA 79 1.205 -11.629 3.055 591 HA ALA 79 HA ALA 79 -0.371 -14.118 2.731 592 HB1 ALA 79 HB1 ALA 79 -1.895 -12.522 1.402 593 HB2 ALA 79 HB2 ALA 79 -0.878 -11.228 2.038 594 HB3 ALA 79 HB3 ALA 79 -1.783 -12.263 3.144 595 H THR 80 H THR 80 1.186 -11.644 0.684 596 HA THR 80 HA THR 80 1.667 -13.782 -1.330 597 HB THR 80 HB THR 80 -0.402 -12.417 -1.907 598 HG1 THR 80 HG1 THR 80 1.060 -13.496 -3.427 599 HG21 THR 80 HG21 THR 80 -0.313 -10.164 -2.124 600 HG22 THR 80 HG22 THR 80 1.263 -10.212 -2.912 601 HG23 THR 80 HG23 THR 80 1.154 -10.283 -1.154 602 H THR 81 H THR 81 3.460 -13.284 -2.764 603 HA THR 81 HA THR 81 5.174 -11.026 -1.849 604 HB THR 81 HB THR 81 6.179 -12.859 -0.769 605 HG1 THR 81 HG1 THR 81 7.669 -11.737 -2.064 606 HG21 THR 81 HG21 THR 81 5.342 -14.355 -3.236 607 HG22 THR 81 HG22 THR 81 5.048 -14.748 -1.541 608 HG23 THR 81 HG23 THR 81 6.652 -14.982 -2.235 609 HA PRO 82 HA PRO 82 4.880 -11.017 -6.442 610 HB2 PRO 82 HB3 PRO 82 4.631 -8.314 -6.722 611 HB3 PRO 82 HB2 PRO 82 3.260 -9.384 -6.381 612 HG2 PRO 82 HG3 PRO 82 4.707 -7.542 -4.591 613 HG3 PRO 82 HG2 PRO 82 3.019 -8.068 -4.553 614 HD2 PRO 82 HD3 PRO 82 5.087 -9.033 -2.908 615 HD3 PRO 82 HD2 PRO 82 3.491 -9.782 -3.123 616 HA PRO 83 HA PRO 83 9.070 -10.047 -7.435 617 HB2 PRO 83 HB3 PRO 83 8.758 -8.743 -9.874 618 HB3 PRO 83 HB2 PRO 83 8.776 -10.502 -9.654 619 HG2 PRO 83 HG3 PRO 83 6.475 -8.661 -9.996 620 HG3 PRO 83 HG2 PRO 83 6.694 -10.321 -10.572 621 HD2 PRO 83 HD3 PRO 83 5.127 -9.725 -8.433 622 HD3 PRO 83 HD2 PRO 83 6.021 -11.256 -8.559 623 H VAL 84 H VAL 84 10.601 -8.313 -7.384 624 HA VAL 84 HA VAL 84 9.474 -5.759 -6.418 625 HB VAL 84 HB VAL 84 11.763 -5.222 -5.777 626 HG11 VAL 84 HG11 VAL 84 10.774 -8.001 -5.163 627 HG12 VAL 84 HG12 VAL 84 10.771 -6.572 -4.128 628 HG13 VAL 84 HG13 VAL 84 12.284 -7.410 -4.468 629 HG21 VAL 84 HG21 VAL 84 13.110 -5.984 -7.546 630 HG22 VAL 84 HG22 VAL 84 12.377 -7.588 -7.538 631 HG23 VAL 84 HG23 VAL 84 13.492 -7.119 -6.253 632 H GLU 85 H GLU 85 9.408 -3.931 -7.635 633 HA GLU 85 HA GLU 85 10.968 -3.876 -10.178 634 HB2 GLU 85 HB3 GLU 85 8.136 -2.879 -9.746 635 HB3 GLU 85 HB2 GLU 85 9.064 -2.710 -11.238 636 HG2 GLU 85 HG3 GLU 85 9.251 -5.188 -11.370 637 HG3 GLU 85 HG2 GLU 85 8.244 -5.319 -9.928 638 H ALA 86 H ALA 86 11.894 -1.866 -10.679 639 HA ALA 86 HA ALA 86 12.221 -0.023 -8.454 640 HB1 ALA 86 HB1 ALA 86 13.443 1.337 -10.298 641 HB2 ALA 86 HB2 ALA 86 13.188 -0.086 -11.310 642 HB3 ALA 86 HB3 ALA 86 14.130 -0.218 -9.826 643 H LYS 87 H LYS 87 11.372 2.083 -8.272 644 HA LYS 87 HA LYS 87 8.777 2.566 -9.316 645 HB2 LYS 87 HB3 LYS 87 10.838 4.521 -8.252 646 HB3 LYS 87 HB2 LYS 87 9.151 4.931 -8.567 647 HG2 LYS 87 HG3 LYS 87 8.463 3.114 -6.991 648 HG3 LYS 87 HG2 LYS 87 10.165 2.847 -6.611 649 HD2 LYS 87 HD3 LYS 87 10.347 5.219 -5.885 650 HD3 LYS 87 HD2 LYS 87 8.622 5.425 -6.190 651 HE2 LYS 87 HE3 LYS 87 8.589 4.918 -3.923 652 HE3 LYS 87 HE2 LYS 87 8.420 3.305 -4.615 653 HZ1 LYS 87 HZ1 LYS 87 10.829 4.577 -3.478 654 HZ2 LYS 87 HZ2 LYS 87 10.953 3.261 -4.544 655 HZ3 LYS 87 HZ3 LYS 87 10.123 3.089 -3.072 656 H LEU 88 H LEU 88 11.969 3.422 -10.547 657 HA LEU 88 HA LEU 88 10.783 4.999 -12.747 658 HB2 LEU 88 HB3 LEU 88 13.682 4.250 -12.261 659 HB3 LEU 88 HB2 LEU 88 13.086 5.478 -13.379 660 HG LEU 88 HG LEU 88 12.826 5.515 -10.358 661 HD11 LEU 88 HD11 LEU 88 14.262 7.426 -12.219 662 HD12 LEU 88 HD12 LEU 88 15.065 6.098 -11.383 663 HD13 LEU 88 HD13 LEU 88 14.324 7.402 -10.456 664 HD21 LEU 88 HD21 LEU 88 11.586 7.151 -12.550 665 HD22 LEU 88 HD22 LEU 88 11.993 7.932 -11.022 666 HD23 LEU 88 HD23 LEU 88 10.865 6.575 -11.047 667 H GLN 89 H GLN 89 10.730 4.296 -14.894 668 HA GLN 89 HA GLN 89 11.213 1.384 -15.277 669 HB2 GLN 89 HB3 GLN 89 8.960 2.321 -15.832 670 HB3 GLN 89 HB2 GLN 89 9.723 3.332 -17.061 671 HG2 GLN 89 HG3 GLN 89 10.621 1.258 -18.138 672 HG3 GLN 89 HG2 GLN 89 9.706 0.302 -16.972 673 HE21 GLN 89 HE21 GLN 89 7.714 -0.360 -17.771 674 HE22 GLN 89 HE22 GLN 89 6.784 0.490 -18.909 675 H3 7V9 101 1H1 NIA 101 -10.875 1.405 6.823 676 H4 7V9 101 2H1 NIA 101 -12.297 0.699 7.592 677 H5 7V9 101 1HE1 NIA 101 -10.374 0.933 10.980 678 H6 7V9 101 2HE1 NIA 101 -12.004 1.216 10.370 679 H7 7V9 101 3HE1 NIA 101 -10.760 2.449 10.166 680 H8 7V9 101 2HE2 NIA 101 -8.987 2.140 8.347 681 H9 7V9 101 3HE2 NIA 101 -8.764 0.517 7.694 682 H10 7V9 101 1HE2 NIA 101 -8.484 0.824 9.409 683 H11 7V9 101 3H NIA 101 -10.625 -1.167 7.919 684 H12 7V9 101 3HO NIA 101 -12.618 -1.213 8.647 685 H13 7V9 101 5H NIA 101 -7.829 -0.894 9.415 686 H14 7V9 101 1H6 NIA 101 -7.066 -3.057 8.920 687 H15 7V9 101 2H6 NIA 101 -8.543 -3.681 9.654 688 H16 7V9 101 1H7 NIA 101 -8.811 -2.335 7.009 689 H17 7V9 101 2H7 NIA 101 -9.676 -3.731 7.652 690 H18 7V9 101 9H NIA 101 -8.790 -4.310 5.113 691 H19 7V9 101 1H10 NIA 101 -6.965 -3.617 3.730 692 H20 7V9 101 2H10 NIA 101 -5.918 -3.620 5.149 693 H21 7V9 101 1H11 NIA 101 -6.914 -6.032 3.606 694 H22 7V9 101 2H11 NIA 101 -6.070 -6.140 5.150 695 H25 7V9 101 5H1 NIA 101 -2.967 -3.656 2.346 696 H26 7V9 101 7H1 NIA 101 -1.328 -4.154 -1.482 697 H27 7V9 101 8H1 NIA 101 -3.401 -5.370 -2.175 698 H28 7V9 101 9H1 NIA 101 -4.537 -6.624 -0.250 Start of MODEL 13 1 H1 MET 1 H1 MET 1 10.898 -2.176 -2.063 2 H2 MET 1 H2 MET 1 12.095 -1.611 -0.998 3 H3 MET 1 H3 MET 1 10.509 -1.863 -0.442 4 HA MET 1 HA MET 1 12.646 -3.674 -0.478 5 HB2 MET 1 HB3 MET 1 9.709 -4.036 0.201 6 HB3 MET 1 HB2 MET 1 11.031 -5.070 0.745 7 HG2 MET 1 HG3 MET 1 10.699 -2.124 1.390 8 HG3 MET 1 HG2 MET 1 10.431 -3.463 2.504 9 HE1 MET 1 HE1 MET 1 11.948 -5.215 2.921 10 HE2 MET 1 HE2 MET 1 13.666 -5.011 3.251 11 HE3 MET 1 HE3 MET 1 13.135 -5.454 1.630 12 H GLN 2 H GLN 2 10.480 -5.910 -0.763 13 HA GLN 2 HA GLN 2 11.331 -6.897 -3.287 14 HB2 GLN 2 HB3 GLN 2 8.823 -7.532 -1.701 15 HB3 GLN 2 HB2 GLN 2 9.404 -8.476 -3.075 16 HG2 GLN 2 HG3 GLN 2 11.505 -8.941 -1.893 17 HG3 GLN 2 HG2 GLN 2 10.971 -7.957 -0.529 18 HE21 GLN 2 HE21 GLN 2 11.585 -10.714 -0.153 19 HE22 GLN 2 HE22 GLN 2 10.150 -11.550 0.192 20 H HIS 3 H HIS 3 8.559 -4.894 -2.388 21 HA HIS 3 HA HIS 3 8.277 -3.984 -5.139 22 HB2 HIS 3 HB3 HIS 3 6.832 -6.294 -4.411 23 HB3 HIS 3 HB2 HIS 3 5.664 -4.973 -4.383 24 HD1 HIS 3 HD1 HIS 3 8.557 -5.924 -6.705 25 HD2 HIS 3 HD2 HIS 3 4.579 -4.684 -6.897 26 HE1 HIS 3 HE1 HIS 3 7.970 -5.772 -9.166 27 HE2 HIS 3 HE2 HIS 3 5.551 -5.019 -9.293 28 H ALA 4 H ALA 4 8.578 -3.032 -2.280 29 HA ALA 4 HA ALA 4 6.175 -1.759 -1.421 30 HB1 ALA 4 HB1 ALA 4 8.509 -2.031 -0.237 31 HB2 ALA 4 HB2 ALA 4 7.506 -0.626 0.125 32 HB3 ALA 4 HB3 ALA 4 8.857 -0.479 -0.998 33 H SER 5 H SER 5 8.666 -0.780 -3.735 34 HA SER 5 HA SER 5 7.896 1.935 -4.041 35 HB2 SER 5 HB3 SER 5 9.943 0.863 -5.043 36 HB3 SER 5 HB2 SER 5 8.897 0.098 -6.235 37 HG SER 5 HG SER 5 9.018 2.894 -5.751 38 H VAL 6 H VAL 6 6.637 -1.014 -5.562 39 HA VAL 6 HA VAL 6 4.854 0.315 -7.373 40 HB VAL 6 HB VAL 6 4.721 -2.430 -6.117 41 HG11 VAL 6 HG11 VAL 6 2.973 -1.033 -8.119 42 HG12 VAL 6 HG12 VAL 6 2.508 -2.084 -6.782 43 HG13 VAL 6 HG13 VAL 6 3.217 -2.775 -8.241 44 HG21 VAL 6 HG21 VAL 6 5.307 -2.939 -8.637 45 HG22 VAL 6 HG22 VAL 6 6.585 -2.455 -7.523 46 HG23 VAL 6 HG23 VAL 6 5.888 -1.275 -8.631 47 H ILE 7 H ILE 7 4.507 -0.817 -4.042 48 HA ILE 7 HA ILE 7 1.723 -0.348 -3.749 49 HB ILE 7 HB ILE 7 3.925 -0.067 -1.685 50 HG12 ILE 7 HG13 ILE 7 2.132 -2.429 -2.329 51 HG13 ILE 7 HG12 ILE 7 3.800 -2.275 -2.883 52 HG21 ILE 7 HG21 ILE 7 1.962 0.941 -0.787 53 HG22 ILE 7 HG22 ILE 7 1.971 -0.702 -0.144 54 HG23 ILE 7 HG23 ILE 7 0.915 -0.288 -1.496 55 HD11 ILE 7 HD11 ILE 7 2.814 -3.130 -0.298 56 HD12 ILE 7 HD12 ILE 7 3.878 -1.735 -0.123 57 HD13 ILE 7 HD13 ILE 7 4.458 -3.190 -0.935 58 H ALA 8 H ALA 8 4.487 1.813 -3.087 59 HA ALA 8 HA ALA 8 2.908 4.058 -2.274 60 HB1 ALA 8 HB1 ALA 8 5.012 5.361 -3.025 61 HB2 ALA 8 HB2 ALA 8 5.699 3.777 -3.381 62 HB3 ALA 8 HB3 ALA 8 5.207 4.175 -1.735 63 H GLN 9 H GLN 9 4.281 3.183 -5.442 64 HA GLN 9 HA GLN 9 3.148 5.471 -6.774 65 HB2 GLN 9 HB3 GLN 9 4.240 4.717 -8.625 66 HB3 GLN 9 HB2 GLN 9 5.054 3.673 -7.466 67 HG2 GLN 9 HG3 GLN 9 4.346 2.206 -9.172 68 HG3 GLN 9 HG2 GLN 9 3.140 2.005 -7.908 69 HE21 GLN 9 HE21 GLN 9 1.206 1.663 -9.068 70 HE22 GLN 9 HE22 GLN 9 0.630 2.695 -10.285 71 H PHE 10 H PHE 10 2.035 2.176 -6.215 72 HA PHE 10 HA PHE 10 -0.266 2.352 -7.938 73 HB2 PHE 10 HB3 PHE 10 0.726 0.216 -7.050 74 HB3 PHE 10 HB2 PHE 10 0.083 0.636 -5.463 75 HD1 PHE 10 HD1 PHE 10 -0.812 -0.223 -8.953 76 HD2 PHE 10 HD2 PHE 10 -2.263 0.445 -4.966 77 HE1 PHE 10 HE1 PHE 10 -3.011 -1.172 -9.595 78 HE2 PHE 10 HE2 PHE 10 -4.464 -0.503 -5.608 79 HZ PHE 10 HZ PHE 10 -4.835 -1.312 -7.922 80 H VAL 11 H VAL 11 0.161 2.776 -4.433 81 HA VAL 11 HA VAL 11 -2.579 3.512 -3.937 82 HB VAL 11 HB VAL 11 -0.068 4.113 -2.346 83 HG11 VAL 11 HG11 VAL 11 -3.010 4.217 -1.632 84 HG12 VAL 11 HG12 VAL 11 -1.870 5.563 -1.636 85 HG13 VAL 11 HG13 VAL 11 -1.707 4.274 -0.444 86 HG21 VAL 11 HG21 VAL 11 -0.735 1.667 -2.897 87 HG22 VAL 11 HG22 VAL 11 -2.094 1.944 -1.807 88 HG23 VAL 11 HG23 VAL 11 -0.441 2.079 -1.208 89 H VAL 12 H VAL 12 0.397 5.437 -4.346 90 HA VAL 12 HA VAL 12 -0.823 7.990 -3.984 91 HB VAL 12 HB VAL 12 1.637 7.169 -5.527 92 HG11 VAL 12 HG11 VAL 12 0.389 9.844 -4.989 93 HG12 VAL 12 HG12 VAL 12 1.188 9.262 -6.450 94 HG13 VAL 12 HG13 VAL 12 2.147 9.709 -5.038 95 HG21 VAL 12 HG21 VAL 12 1.836 8.739 -3.040 96 HG22 VAL 12 HG22 VAL 12 2.751 7.320 -3.548 97 HG23 VAL 12 HG23 VAL 12 1.155 7.126 -2.823 98 H GLU 13 H GLU 13 -0.458 5.964 -6.852 99 HA GLU 13 HA GLU 13 -1.075 7.825 -8.859 100 HB2 GLU 13 HB3 GLU 13 -0.466 5.437 -9.255 101 HB3 GLU 13 HB2 GLU 13 -2.079 4.979 -8.730 102 HG2 GLU 13 HG3 GLU 13 -3.021 6.441 -10.534 103 HG3 GLU 13 HG2 GLU 13 -1.373 6.704 -11.103 104 H GLU 14 H GLU 14 -3.258 6.150 -6.641 105 HA GLU 14 HA GLU 14 -5.690 7.002 -7.907 106 HB2 GLU 14 HB3 GLU 14 -5.126 6.197 -5.043 107 HB3 GLU 14 HB2 GLU 14 -6.741 6.423 -5.716 108 HG2 GLU 14 HG3 GLU 14 -6.245 4.691 -7.429 109 HG3 GLU 14 HG2 GLU 14 -4.666 4.433 -6.685 110 H PHE 15 H PHE 15 -3.641 8.493 -5.424 111 HA PHE 15 HA PHE 15 -5.605 10.677 -5.085 112 HB2 PHE 15 HB3 PHE 15 -2.879 10.329 -3.809 113 HB3 PHE 15 HB2 PHE 15 -4.131 11.471 -3.317 114 HD1 PHE 15 HD1 PHE 15 -3.013 8.008 -3.254 115 HD2 PHE 15 HD2 PHE 15 -6.265 10.649 -2.328 116 HE1 PHE 15 HE1 PHE 15 -4.040 6.242 -1.856 117 HE2 PHE 15 HE2 PHE 15 -7.296 8.886 -0.919 118 HZ PHE 15 HZ PHE 15 -6.185 6.681 -0.683 119 H LEU 16 H LEU 16 -2.068 10.636 -5.712 120 HA LEU 16 HA LEU 16 -2.515 12.963 -7.547 121 HB2 LEU 16 HB3 LEU 16 -0.698 12.621 -5.243 122 HB3 LEU 16 HB2 LEU 16 0.049 13.309 -6.684 123 HG LEU 16 HG LEU 16 -2.545 14.332 -5.501 124 HD11 LEU 16 HD11 LEU 16 0.226 14.741 -4.674 125 HD12 LEU 16 HD12 LEU 16 -1.265 15.226 -3.867 126 HD13 LEU 16 HD13 LEU 16 -0.564 16.254 -5.117 127 HD21 LEU 16 HD21 LEU 16 -2.614 15.600 -7.363 128 HD22 LEU 16 HD22 LEU 16 -1.182 14.768 -7.966 129 HD23 LEU 16 HD23 LEU 16 -1.009 16.236 -7.005 130 HA PRO 17 HA PRO 17 -0.228 9.727 -9.881 131 HB2 PRO 17 HB3 PRO 17 -1.850 9.718 -12.068 132 HB3 PRO 17 HB2 PRO 17 -2.181 8.759 -10.616 133 HG2 PRO 17 HG3 PRO 17 -3.469 11.221 -11.572 134 HG3 PRO 17 HG2 PRO 17 -4.115 9.916 -10.571 135 HD2 PRO 17 HD3 PRO 17 -3.211 12.443 -9.663 136 HD3 PRO 17 HD2 PRO 17 -3.623 11.040 -8.657 137 H ASP 18 H ASP 18 -1.244 12.977 -10.632 138 HA ASP 18 HA ASP 18 0.296 13.184 -13.098 139 HB2 ASP 18 HB3 ASP 18 -0.258 15.563 -12.971 140 HB3 ASP 18 HB2 ASP 18 -1.696 14.604 -12.635 141 H VAL 19 H VAL 19 1.157 12.923 -9.914 142 HA VAL 19 HA VAL 19 3.645 14.539 -10.301 143 HB VAL 19 HB VAL 19 2.367 13.609 -7.708 144 HG11 VAL 19 HG11 VAL 19 4.044 15.177 -6.706 145 HG12 VAL 19 HG12 VAL 19 4.757 15.379 -8.306 146 HG13 VAL 19 HG13 VAL 19 4.789 13.801 -7.519 147 HG21 VAL 19 HG21 VAL 19 1.951 15.951 -9.410 148 HG22 VAL 19 HG22 VAL 19 2.447 16.394 -7.776 149 HG23 VAL 19 HG23 VAL 19 1.013 15.397 -8.023 150 H ALA 20 H ALA 20 5.619 13.431 -10.088 151 HA ALA 20 HA ALA 20 5.612 10.625 -10.515 152 HB1 ALA 20 HB1 ALA 20 7.569 12.715 -10.281 153 HB2 ALA 20 HB2 ALA 20 7.738 11.137 -11.049 154 HB3 ALA 20 HB3 ALA 20 8.094 11.325 -9.333 155 HA PRO 21 HA PRO 21 4.696 9.652 -6.181 156 HB2 PRO 21 HB3 PRO 21 4.869 6.906 -6.420 157 HB3 PRO 21 HB2 PRO 21 3.417 7.862 -6.781 158 HG2 PRO 21 HG3 PRO 21 5.409 6.678 -8.622 159 HG3 PRO 21 HG2 PRO 21 3.668 6.924 -8.834 160 HD2 PRO 21 HD3 PRO 21 5.586 8.504 -9.995 161 HD3 PRO 21 HD2 PRO 21 3.937 9.067 -9.635 162 H ALA 22 H ALA 22 7.456 8.437 -7.976 163 HA ALA 22 HA ALA 22 8.911 7.449 -5.675 164 HB1 ALA 22 HB1 ALA 22 10.682 8.304 -7.769 165 HB2 ALA 22 HB2 ALA 22 9.279 7.521 -8.497 166 HB3 ALA 22 HB3 ALA 22 10.251 6.658 -7.303 167 H ASP 23 H ASP 23 8.199 10.563 -6.863 168 HA ASP 23 HA ASP 23 10.593 11.861 -5.776 169 HB2 ASP 23 HB3 ASP 23 7.991 12.966 -6.876 170 HB3 ASP 23 HB2 ASP 23 9.337 13.969 -6.336 171 H VAL 24 H VAL 24 7.967 10.453 -4.407 172 HA VAL 24 HA VAL 24 7.660 12.489 -2.261 173 HB VAL 24 HB VAL 24 6.160 9.885 -2.690 174 HG11 VAL 24 HG11 VAL 24 6.327 11.661 -0.477 175 HG12 VAL 24 HG12 VAL 24 5.225 10.300 -0.687 176 HG13 VAL 24 HG13 VAL 24 4.748 11.911 -1.220 177 HG21 VAL 24 HG21 VAL 24 5.470 12.746 -3.430 178 HG22 VAL 24 HG22 VAL 24 4.326 11.405 -3.478 179 HG23 VAL 24 HG23 VAL 24 5.729 11.405 -4.545 180 H ASP 25 H ASP 25 8.464 12.090 -0.202 181 HA ASP 25 HA ASP 25 10.507 10.090 0.083 182 HB2 ASP 25 HB3 ASP 25 10.431 12.254 1.353 183 HB3 ASP 25 HB2 ASP 25 9.083 11.605 2.288 184 H VAL 26 H VAL 26 9.575 8.039 -0.309 185 HA VAL 26 HA VAL 26 7.172 7.071 0.877 186 HB VAL 26 HB VAL 26 8.014 4.838 0.341 187 HG11 VAL 26 HG11 VAL 26 8.998 6.783 -1.763 188 HG12 VAL 26 HG12 VAL 26 7.293 6.422 -1.497 189 HG13 VAL 26 HG13 VAL 26 8.394 5.147 -2.019 190 HG21 VAL 26 HG21 VAL 26 10.562 6.165 0.776 191 HG22 VAL 26 HG22 VAL 26 10.546 5.326 -0.776 192 HG23 VAL 26 HG23 VAL 26 10.206 4.440 0.709 193 H ASP 27 H ASP 27 9.864 8.141 2.442 194 HA ASP 27 HA ASP 27 9.871 6.100 4.580 195 HB2 ASP 27 HB3 ASP 27 11.988 7.233 3.827 196 HB3 ASP 27 HB2 ASP 27 11.345 8.748 4.459 197 H LEU 28 H LEU 28 7.802 8.427 3.749 198 HA LEU 28 HA LEU 28 7.423 9.633 6.426 199 HB2 LEU 28 HB3 LEU 28 7.189 11.003 4.342 200 HB3 LEU 28 HB2 LEU 28 5.812 10.007 3.884 201 HG LEU 28 HG LEU 28 5.036 10.673 6.377 202 HD11 LEU 28 HD11 LEU 28 7.255 12.072 6.439 203 HD12 LEU 28 HD12 LEU 28 5.770 12.771 7.085 204 HD13 LEU 28 HD13 LEU 28 6.333 13.227 5.476 205 HD21 LEU 28 HD21 LEU 28 4.737 12.204 3.787 206 HD22 LEU 28 HD22 LEU 28 3.842 12.645 5.241 207 HD23 LEU 28 HD23 LEU 28 3.608 11.057 4.509 208 H ASP 29 H ASP 29 5.787 9.003 7.809 209 HA ASP 29 HA ASP 29 4.516 6.476 7.432 210 HB2 ASP 29 HB3 ASP 29 3.788 8.800 9.249 211 HB3 ASP 29 HB2 ASP 29 3.055 7.198 9.351 212 H LEU 30 H LEU 30 2.867 6.026 6.051 213 HA LEU 30 HA LEU 30 1.555 8.082 4.545 214 HB2 LEU 30 HB3 LEU 30 0.088 6.226 3.738 215 HB3 LEU 30 HB2 LEU 30 1.808 5.849 3.613 216 HG LEU 30 HG LEU 30 0.650 5.105 6.204 217 HD11 LEU 30 HD11 LEU 30 -0.478 4.023 3.626 218 HD12 LEU 30 HD12 LEU 30 -1.336 4.504 5.089 219 HD13 LEU 30 HD13 LEU 30 -0.397 3.012 5.067 220 HD21 LEU 30 HD21 LEU 30 1.992 3.158 5.871 221 HD22 LEU 30 HD22 LEU 30 2.913 4.486 5.166 222 HD23 LEU 30 HD23 LEU 30 2.015 3.385 4.122 223 H VAL 31 H VAL 31 1.202 7.549 7.713 224 HA VAL 31 HA VAL 31 -1.562 7.235 8.201 225 HB VAL 31 HB VAL 31 0.369 7.436 9.902 226 HG11 VAL 31 HG11 VAL 31 -0.374 10.363 9.805 227 HG12 VAL 31 HG12 VAL 31 1.018 9.724 8.931 228 HG13 VAL 31 HG13 VAL 31 0.950 9.603 10.690 229 HG21 VAL 31 HG21 VAL 31 -1.288 8.757 11.505 230 HG22 VAL 31 HG22 VAL 31 -1.701 7.147 10.916 231 HG23 VAL 31 HG23 VAL 31 -2.393 8.573 10.143 232 H ASP 32 H ASP 32 0.278 10.102 7.247 233 HA ASP 32 HA ASP 32 -1.786 12.036 7.540 234 HB2 ASP 32 HB3 ASP 32 0.433 11.839 5.475 235 HB3 ASP 32 HB2 ASP 32 -0.585 13.262 5.697 236 H ASN 33 H ASN 33 -1.085 9.675 5.035 237 HA ASN 33 HA ASN 33 -3.314 10.567 3.346 238 HB2 ASN 33 HB3 ASN 33 -1.562 8.112 3.132 239 HB3 ASN 33 HB2 ASN 33 -2.654 8.715 1.890 240 HD21 ASN 33 HD21 ASN 33 0.496 8.546 2.323 241 HD22 ASN 33 HD22 ASN 33 1.010 10.058 1.750 242 H GLY 34 H GLY 34 -3.489 9.395 6.198 243 HA2 GLY 34 HA3 GLY 34 -4.607 6.884 6.369 244 HA3 GLY 34 HA2 GLY 34 -5.225 8.245 7.304 245 H VAL 35 H VAL 35 -5.756 9.456 4.448 246 HA VAL 35 HA VAL 35 -8.543 9.080 4.381 247 HB VAL 35 HB VAL 35 -6.593 9.674 2.138 248 HG11 VAL 35 HG11 VAL 35 -8.667 10.515 0.944 249 HG12 VAL 35 HG12 VAL 35 -9.622 9.663 2.159 250 HG13 VAL 35 HG13 VAL 35 -8.553 8.760 1.084 251 HG21 VAL 35 HG21 VAL 35 -7.027 11.922 2.576 252 HG22 VAL 35 HG22 VAL 35 -7.103 11.243 4.202 253 HG23 VAL 35 HG23 VAL 35 -8.590 11.581 3.318 254 H ILE 36 H ILE 36 -5.977 7.176 2.869 255 HA ILE 36 HA ILE 36 -7.738 5.428 1.397 256 HB ILE 36 HB ILE 36 -5.143 5.842 1.170 257 HG12 ILE 36 HG13 ILE 36 -6.679 3.278 0.803 258 HG13 ILE 36 HG12 ILE 36 -6.108 4.411 -0.424 259 HG21 ILE 36 HG21 ILE 36 -5.101 3.364 2.886 260 HG22 ILE 36 HG22 ILE 36 -4.917 4.962 3.608 261 HG23 ILE 36 HG23 ILE 36 -3.752 4.397 2.410 262 HD11 ILE 36 HD11 ILE 36 -3.729 3.735 0.484 263 HD12 ILE 36 HD12 ILE 36 -4.565 2.678 -0.654 264 HD13 ILE 36 HD13 ILE 36 -4.577 2.305 1.071 265 H ASP 37 H ASP 37 -7.019 5.715 4.697 266 HA ASP 37 HA ASP 37 -6.883 3.106 5.656 267 HB2 ASP 37 HB3 ASP 37 -8.374 5.460 6.840 268 HB3 ASP 37 HB2 ASP 37 -7.989 3.979 7.717 269 H SER 38 H SER 38 -9.865 4.887 4.785 270 HA SER 38 HA SER 38 -11.297 2.270 5.028 271 HB2 SER 38 2HB SER 38 -11.961 4.948 6.031 272 HB3 SER 38 1HB SER 38 -13.284 4.145 5.193 273 H LEU 39 H LEU 39 -11.733 5.414 3.347 274 HA LEU 39 HA LEU 39 -13.461 4.354 1.358 275 HB2 LEU 39 HB3 LEU 39 -11.640 6.754 1.349 276 HB3 LEU 39 HB2 LEU 39 -12.727 6.387 0.017 277 HG LEU 39 HG LEU 39 -14.560 6.255 1.862 278 HD11 LEU 39 HD11 LEU 39 -14.025 7.898 3.731 279 HD12 LEU 39 HD12 LEU 39 -12.332 7.749 3.263 280 HD13 LEU 39 HD13 LEU 39 -13.216 6.337 3.842 281 HD21 LEU 39 HD21 LEU 39 -14.591 7.978 0.184 282 HD22 LEU 39 HD22 LEU 39 -13.247 8.824 0.951 283 HD23 LEU 39 HD23 LEU 39 -14.822 8.768 1.744 284 H GLY 40 H GLY 40 -9.970 5.031 1.158 285 HA2 GLY 40 HA3 GLY 40 -9.711 3.804 -1.443 286 HA3 GLY 40 HA2 GLY 40 -8.382 4.223 -0.371 287 H LEU 41 H LEU 41 -9.317 2.670 1.881 288 HA LEU 41 HA LEU 41 -8.061 0.190 1.348 289 HB2 LEU 41 HB3 LEU 41 -8.458 1.164 3.624 290 HB3 LEU 41 HB2 LEU 41 -10.160 0.737 3.467 291 HG LEU 41 HG LEU 41 -9.238 -1.664 2.950 292 HD11 LEU 41 HD11 LEU 41 -6.885 -1.113 2.796 293 HD12 LEU 41 HD12 LEU 41 -7.124 -2.088 4.245 294 HD13 LEU 41 HD13 LEU 41 -6.921 -0.342 4.382 295 HD21 LEU 41 HD21 LEU 41 -10.534 -1.439 4.891 296 HD22 LEU 41 HD22 LEU 41 -9.427 -0.268 5.608 297 HD23 LEU 41 HD23 LEU 41 -8.983 -1.973 5.539 298 H LEU 42 H LEU 42 -11.528 1.028 1.368 299 HA LEU 42 HA LEU 42 -12.455 -1.627 0.830 300 HB2 LEU 42 HB3 LEU 42 -13.664 1.072 0.187 301 HB3 LEU 42 HB2 LEU 42 -14.510 -0.450 -0.031 302 HG LEU 42 HG LEU 42 -13.356 0.526 2.594 303 HD11 LEU 42 HD11 LEU 42 -15.743 1.274 1.240 304 HD12 LEU 42 HD12 LEU 42 -15.273 1.669 2.893 305 HD13 LEU 42 HD13 LEU 42 -16.211 0.212 2.568 306 HD21 LEU 42 HD21 LEU 42 -14.565 -1.991 1.630 307 HD22 LEU 42 HD22 LEU 42 -15.197 -1.396 3.165 308 HD23 LEU 42 HD23 LEU 42 -13.473 -1.716 2.984 309 H LYS 43 H LYS 43 -11.606 1.083 -1.324 310 HA LYS 43 HA LYS 43 -12.250 -0.285 -3.756 311 HB2 LYS 43 HB3 LYS 43 -10.281 1.941 -3.201 312 HB3 LYS 43 HB2 LYS 43 -10.772 1.425 -4.810 313 HG2 LYS 43 HG3 LYS 43 -13.144 1.912 -4.199 314 HG3 LYS 43 HG2 LYS 43 -12.579 2.544 -2.652 315 HD2 LYS 43 HD3 LYS 43 -11.158 4.185 -3.890 316 HD3 LYS 43 HD2 LYS 43 -11.862 3.605 -5.400 317 HE2 LYS 43 HE3 LYS 43 -14.140 4.088 -4.103 318 HE3 LYS 43 HE2 LYS 43 -13.116 5.220 -3.220 319 HZ1 LYS 43 HZ1 LYS 43 -12.355 5.926 -5.557 320 HZ2 LYS 43 HZ2 LYS 43 -13.862 6.468 -4.992 321 HZ3 LYS 43 HZ3 LYS 43 -13.779 5.174 -6.090 322 H VAL 44 H VAL 44 -9.310 -0.091 -1.802 323 HA VAL 44 HA VAL 44 -7.574 -1.437 -3.640 324 HB VAL 44 HB VAL 44 -7.494 -1.228 -0.617 325 HG11 VAL 44 HG11 VAL 44 -5.080 -1.803 -0.897 326 HG12 VAL 44 HG12 VAL 44 -5.392 -2.157 -2.594 327 HG13 VAL 44 HG13 VAL 44 -6.149 -3.133 -1.336 328 HG21 VAL 44 HG21 VAL 44 -7.297 0.801 -2.357 329 HG22 VAL 44 HG22 VAL 44 -5.638 0.213 -2.458 330 HG23 VAL 44 HG23 VAL 44 -6.299 0.724 -0.905 331 H ILE 45 H ILE 45 -9.677 -2.638 -1.039 332 HA ILE 45 HA ILE 45 -8.812 -5.331 -1.057 333 HB ILE 45 HB ILE 45 -11.206 -3.848 -0.163 334 HG12 ILE 45 HG13 ILE 45 -10.764 -4.996 1.886 335 HG13 ILE 45 HG12 ILE 45 -9.806 -6.230 1.071 336 HG21 ILE 45 HG21 ILE 45 -11.318 -6.786 -0.879 337 HG22 ILE 45 HG22 ILE 45 -12.418 -5.507 -1.395 338 HG23 ILE 45 HG23 ILE 45 -12.412 -6.041 0.284 339 HD11 ILE 45 HD11 ILE 45 -8.728 -4.075 2.336 340 HD12 ILE 45 HD12 ILE 45 -8.862 -3.450 0.695 341 HD13 ILE 45 HD13 ILE 45 -7.940 -4.920 1.004 342 H ALA 46 H ALA 46 -11.480 -3.835 -2.934 343 HA ALA 46 HA ALA 46 -12.184 -6.207 -4.346 344 HB1 ALA 46 HB1 ALA 46 -12.533 -3.272 -4.852 345 HB2 ALA 46 HB2 ALA 46 -13.759 -4.514 -4.597 346 HB3 ALA 46 HB3 ALA 46 -12.915 -4.413 -6.142 347 H TRP 47 H TRP 47 -9.722 -3.744 -5.012 348 HA TRP 47 HA TRP 47 -9.030 -4.865 -7.610 349 HB2 TRP 47 HB3 TRP 47 -8.414 -2.632 -7.501 350 HB3 TRP 47 HB2 TRP 47 -7.919 -2.744 -5.812 351 HD1 TRP 47 HD1 TRP 47 -6.687 -3.416 -9.358 352 HE1 TRP 47 HE1 TRP 47 -4.138 -3.801 -9.293 353 HE3 TRP 47 HE3 TRP 47 -5.940 -3.555 -4.311 354 HZ2 TRP 47 HZ2 TRP 47 -2.056 -4.119 -7.354 355 HZ3 TRP 47 HZ3 TRP 47 -3.670 -3.901 -3.382 356 HH2 TRP 47 HH2 TRP 47 -1.728 -4.184 -4.896 357 H LEU 48 H LEU 48 -7.659 -5.048 -4.335 358 HA LEU 48 HA LEU 48 -5.333 -6.513 -4.996 359 HB2 LEU 48 HB3 LEU 48 -5.832 -5.412 -2.799 360 HB3 LEU 48 HB2 LEU 48 -6.961 -6.716 -2.454 361 HG LEU 48 HG LEU 48 -4.291 -7.618 -3.305 362 HD11 LEU 48 HD11 LEU 48 -3.415 -5.847 -2.019 363 HD12 LEU 48 HD12 LEU 48 -3.503 -7.178 -0.864 364 HD13 LEU 48 HD13 LEU 48 -4.739 -5.919 -0.857 365 HD21 LEU 48 HD21 LEU 48 -4.686 -9.158 -1.412 366 HD22 LEU 48 HD22 LEU 48 -6.086 -9.100 -2.484 367 HD23 LEU 48 HD23 LEU 48 -6.110 -8.221 -0.957 368 H GLU 49 H GLU 49 -8.596 -7.698 -4.119 369 HA GLU 49 HA GLU 49 -7.871 -10.474 -4.160 370 HB2 GLU 49 HB3 GLU 49 -10.546 -9.163 -4.724 371 HB3 GLU 49 HB2 GLU 49 -10.301 -10.869 -4.391 372 HG2 GLU 49 HG3 GLU 49 -9.381 -10.302 -2.179 373 HG3 GLU 49 HG2 GLU 49 -9.658 -8.600 -2.510 374 H ASP 50 H ASP 50 -9.074 -8.251 -6.642 375 HA ASP 50 HA ASP 50 -9.398 -10.219 -8.702 376 HB2 ASP 50 HB3 ASP 50 -10.389 -7.910 -8.689 377 HB3 ASP 50 HB2 ASP 50 -8.779 -7.287 -9.044 378 H ARG 51 H ARG 51 -6.749 -7.918 -8.062 379 HA ARG 51 HA ARG 51 -5.115 -8.746 -10.237 380 HB2 ARG 51 HB3 ARG 51 -4.782 -6.660 -8.906 381 HB3 ARG 51 HB2 ARG 51 -4.180 -7.648 -7.575 382 HG2 ARG 51 HG3 ARG 51 -2.379 -8.511 -8.998 383 HG3 ARG 51 HG2 ARG 51 -2.993 -7.581 -10.364 384 HD2 ARG 51 HD3 ARG 51 -2.633 -5.491 -9.074 385 HD3 ARG 51 HD2 ARG 51 -1.946 -6.442 -7.757 386 HE ARG 51 HE ARG 51 -0.578 -5.706 -10.197 387 HH11 ARG 51 HH11 ARG 51 1.492 -6.564 -10.492 388 HH12 ARG 51 HH12 ARG 51 1.993 -7.926 -9.547 389 HH21 ARG 51 HH21 ARG 51 -1.002 -8.164 -7.818 390 HH22 ARG 51 HH22 ARG 51 0.581 -8.832 -8.033 391 H PHE 52 H PHE 52 -5.223 -9.931 -6.867 392 HA PHE 52 HA PHE 52 -3.210 -11.986 -7.609 393 HB2 PHE 52 HB3 PHE 52 -4.331 -11.118 -4.935 394 HB3 PHE 52 HB2 PHE 52 -3.161 -12.415 -5.149 395 HD1 PHE 52 HD1 PHE 52 -3.696 -8.800 -5.171 396 HD2 PHE 52 HD2 PHE 52 -0.879 -11.935 -5.999 397 HE1 PHE 52 HE1 PHE 52 -1.859 -7.135 -5.220 398 HE2 PHE 52 HE2 PHE 52 0.959 -10.271 -6.047 399 HZ PHE 52 HZ PHE 52 0.469 -7.871 -5.657 400 H GLY 53 H GLY 53 -6.582 -11.646 -7.341 401 HA2 GLY 53 HA3 GLY 53 -8.284 -13.269 -7.498 402 HA3 GLY 53 HA2 GLY 53 -7.020 -14.448 -7.850 403 H ILE 54 H ILE 54 -7.177 -12.448 -4.936 404 HA ILE 54 HA ILE 54 -7.350 -14.967 -3.345 405 HB ILE 54 HB ILE 54 -6.448 -12.201 -2.491 406 HG12 ILE 54 HG13 ILE 54 -4.741 -14.645 -3.026 407 HG13 ILE 54 HG12 ILE 54 -5.016 -13.390 -4.236 408 HG21 ILE 54 HG21 ILE 54 -7.153 -13.380 -0.558 409 HG22 ILE 54 HG22 ILE 54 -5.410 -13.646 -0.622 410 HG23 ILE 54 HG23 ILE 54 -6.517 -14.911 -1.160 411 HD11 ILE 54 HD11 ILE 54 -2.920 -13.005 -2.952 412 HD12 ILE 54 HD12 ILE 54 -3.871 -12.904 -1.470 413 HD13 ILE 54 HD13 ILE 54 -4.084 -11.697 -2.738 414 H ALA 55 H ALA 55 -8.926 -15.174 -1.739 415 HA ALA 55 HA ALA 55 -11.394 -13.773 -2.080 416 HB1 ALA 55 HB1 ALA 55 -10.293 -15.634 0.008 417 HB2 ALA 55 HB2 ALA 55 -11.657 -15.873 -1.084 418 HB3 ALA 55 HB3 ALA 55 -11.817 -14.799 0.306 419 H ALA 56 H ALA 56 -12.388 -12.215 -0.643 420 HA ALA 56 HA ALA 56 -10.691 -10.094 0.170 421 HB1 ALA 56 HB1 ALA 56 -12.624 -9.000 0.766 422 HB2 ALA 56 HB2 ALA 56 -13.299 -10.416 1.570 423 HB3 ALA 56 HB3 ALA 56 -13.345 -10.296 -0.188 424 H ASP 57 H ASP 57 -12.059 -12.780 2.059 425 HA ASP 57 HA ASP 57 -11.578 -13.459 4.260 426 HB2 ASP 57 HB3 ASP 57 -8.945 -12.164 3.517 427 HB3 ASP 57 HB2 ASP 57 -9.190 -13.181 4.935 428 H ASP 58 H ASP 58 -13.078 -11.189 4.176 429 HA ASP 58 HA ASP 58 -12.295 -8.790 5.213 430 HB2 ASP 58 HB3 ASP 58 -14.654 -10.467 6.062 431 HB3 ASP 58 HB2 ASP 58 -14.456 -8.776 6.518 432 H VAL 59 H VAL 59 -10.777 -8.435 6.738 433 HA VAL 59 HA VAL 59 -11.100 -9.794 9.374 434 HB VAL 59 HB VAL 59 -8.620 -9.898 9.559 435 HG11 VAL 59 HG11 VAL 59 -8.909 -11.996 8.799 436 HG12 VAL 59 HG12 VAL 59 -8.702 -11.407 7.148 437 HG13 VAL 59 HG13 VAL 59 -10.313 -11.483 7.863 438 HG21 VAL 59 HG21 VAL 59 -7.889 -9.711 6.826 439 HG22 VAL 59 HG22 VAL 59 -7.393 -8.649 8.142 440 HG23 VAL 59 HG23 VAL 59 -8.828 -8.263 7.193 441 H GLU 60 H GLU 60 -10.132 -8.482 11.163 442 HA GLU 60 HA GLU 60 -10.435 -5.593 10.547 443 HB2 GLU 60 HB3 GLU 60 -10.269 -7.049 13.200 444 HB3 GLU 60 HB2 GLU 60 -10.561 -5.325 13.006 445 HG2 GLU 60 HG3 GLU 60 -12.590 -5.846 11.683 446 HG3 GLU 60 HG2 GLU 60 -12.316 -7.559 11.979 447 H LEU 61 H LEU 61 -8.602 -4.482 10.127 448 HA LEU 61 HA LEU 61 -6.060 -5.399 11.388 449 HB2 LEU 61 HB3 LEU 61 -6.423 -3.609 8.965 450 HB3 LEU 61 HB2 LEU 61 -4.900 -4.248 9.576 451 HG LEU 61 HG LEU 61 -5.575 -5.625 7.712 452 HD11 LEU 61 HD11 LEU 61 -4.775 -6.656 9.984 453 HD12 LEU 61 HD12 LEU 61 -5.391 -7.721 8.723 454 HD13 LEU 61 HD13 LEU 61 -6.425 -7.270 10.078 455 HD21 LEU 61 HD21 LEU 61 -7.720 -6.261 7.270 456 HD22 LEU 61 HD22 LEU 61 -8.145 -4.957 8.378 457 HD23 LEU 61 HD23 LEU 61 -8.065 -6.619 8.960 458 H SER 62 H SER 62 -4.874 -3.926 12.619 459 HA SER 62 HA SER 62 -6.334 -1.575 13.556 460 HB2 SER 62 HB3 SER 62 -4.207 -3.228 14.529 461 HB3 SER 62 HB2 SER 62 -3.645 -1.559 14.506 462 HG SER 62 HG SER 62 -4.928 -2.429 16.404 463 HA PRO 63 HA PRO 63 -4.574 1.401 10.797 464 HB2 PRO 63 HB3 PRO 63 -4.242 3.538 12.535 465 HB3 PRO 63 HB2 PRO 63 -5.769 3.104 11.747 466 HG2 PRO 63 HG3 PRO 63 -4.839 2.556 14.512 467 HG3 PRO 63 HG2 PRO 63 -6.466 2.927 13.914 468 HD2 PRO 63 HD3 PRO 63 -5.698 0.403 14.592 469 HD3 PRO 63 HD2 PRO 63 -6.896 0.730 13.321 470 H GLU 64 H GLU 64 -2.937 0.743 13.830 471 HA GLU 64 HA GLU 64 -0.507 2.140 13.352 472 HB2 GLU 64 HB3 GLU 64 -1.162 1.103 15.527 473 HB3 GLU 64 HB2 GLU 64 -0.841 -0.475 14.823 474 HG2 GLU 64 HG3 GLU 64 1.486 0.246 14.348 475 HG3 GLU 64 HG2 GLU 64 1.149 1.766 15.167 476 H HIS 65 H HIS 65 -1.711 -0.907 12.100 477 HA HIS 65 HA HIS 65 0.825 -1.934 11.205 478 HB2 HIS 65 HB3 HIS 65 -1.143 -3.381 11.393 479 HB3 HIS 65 HB2 HIS 65 -1.971 -2.444 10.149 480 HD1 HIS 65 HD1 HIS 65 1.436 -4.174 10.424 481 HD2 HIS 65 HD2 HIS 65 -1.683 -3.664 7.701 482 HE1 HIS 65 HE1 HIS 65 2.091 -5.451 8.332 483 HE2 HIS 65 HE2 HIS 65 0.199 -5.146 6.672 484 H PHE 66 H PHE 66 -1.389 0.430 9.891 485 HA PHE 66 HA PHE 66 0.105 0.433 7.318 486 HB2 PHE 66 HB3 PHE 66 -2.399 1.943 8.113 487 HB3 PHE 66 HB2 PHE 66 -1.719 1.832 6.490 488 HD1 PHE 66 HD1 PHE 66 -1.841 -0.244 5.198 489 HD2 PHE 66 HD2 PHE 66 -3.491 0.020 9.156 490 HE1 PHE 66 HE1 PHE 66 -3.052 -2.379 4.838 491 HE2 PHE 66 HE2 PHE 66 -4.704 -2.111 8.794 492 HZ PHE 66 HZ PHE 66 -4.484 -3.311 6.637 493 H ARG 67 H ARG 67 0.615 1.733 10.220 494 HA ARG 67 HA ARG 67 0.766 4.529 9.900 495 HB2 ARG 67 HB3 ARG 67 1.220 3.276 12.026 496 HB3 ARG 67 HB2 ARG 67 2.770 2.777 11.360 497 HG2 ARG 67 HG3 ARG 67 3.364 4.667 12.596 498 HG3 ARG 67 HG2 ARG 67 3.128 5.347 10.990 499 HD2 ARG 67 HD3 ARG 67 0.810 5.982 11.609 500 HD3 ARG 67 HD2 ARG 67 1.080 5.334 13.225 501 HE ARG 67 HE ARG 67 3.133 7.222 12.696 502 HH11 ARG 67 HH11 ARG 67 2.943 9.312 13.536 503 HH12 ARG 67 HH12 ARG 67 1.382 9.908 13.994 504 HH21 ARG 67 HH21 ARG 67 -0.284 7.000 13.103 505 HH22 ARG 67 HH22 ARG 67 -0.444 8.600 13.749 506 H SER 68 H SER 68 3.066 2.011 8.898 507 HA SER 68 HA SER 68 4.441 4.087 7.237 508 HB2 SER 68 HB3 SER 68 5.735 1.751 8.670 509 HB3 SER 68 HB2 SER 68 6.563 2.898 7.621 510 HG SER 68 HG SER 68 6.824 3.866 9.501 511 H ILE 69 H ILE 69 5.140 3.373 5.170 512 HA ILE 69 HA ILE 69 3.531 1.423 3.879 513 HB ILE 69 HB ILE 69 6.228 2.526 3.042 514 HG12 ILE 69 HG13 ILE 69 3.440 3.453 2.335 515 HG13 ILE 69 HG12 ILE 69 4.472 4.235 3.522 516 HG21 ILE 69 HG21 ILE 69 5.606 0.558 1.759 517 HG22 ILE 69 HG22 ILE 69 5.389 2.000 0.767 518 HG23 ILE 69 HG23 ILE 69 3.992 1.215 1.497 519 HD11 ILE 69 HD11 ILE 69 5.237 3.805 0.626 520 HD12 ILE 69 HD12 ILE 69 6.152 4.712 1.831 521 HD13 ILE 69 HD13 ILE 69 4.592 5.316 1.269 522 H ARG 70 H ARG 70 6.769 1.215 5.308 523 HA ARG 70 HA ARG 70 7.492 -1.337 4.283 524 HB2 ARG 70 HB3 ARG 70 9.041 0.205 5.483 525 HB3 ARG 70 HB2 ARG 70 8.206 -0.174 6.990 526 HG2 ARG 70 HG3 ARG 70 8.784 -2.549 6.733 527 HG3 ARG 70 HG2 ARG 70 9.591 -2.197 5.205 528 HD2 ARG 70 HD3 ARG 70 11.294 -2.297 6.911 529 HD3 ARG 70 HD2 ARG 70 11.092 -0.603 6.464 530 HE ARG 70 HE ARG 70 9.352 -1.076 8.634 531 HH11 ARG 70 HH11 ARG 70 9.999 -0.551 10.735 532 HH12 ARG 70 HH12 ARG 70 11.686 -0.418 11.100 533 HH21 ARG 70 HH21 ARG 70 12.714 -1.171 7.875 534 HH22 ARG 70 HH22 ARG 70 13.224 -0.770 9.481 535 H SER 71 H SER 71 5.592 -0.466 7.171 536 HA SER 71 HA SER 71 5.430 -3.050 8.317 537 HB2 SER 71 HB3 SER 71 3.267 -0.928 8.279 538 HB3 SER 71 HB2 SER 71 3.430 -2.235 9.445 539 HG SER 71 HG SER 71 5.286 -1.307 10.210 540 H ILE 72 H ILE 72 3.444 -1.526 5.789 541 HA ILE 72 HA ILE 72 1.571 -3.669 5.527 542 HB ILE 72 HB ILE 72 2.512 -1.654 3.465 543 HG12 ILE 72 HG13 ILE 72 0.104 -1.581 5.310 544 HG13 ILE 72 HG12 ILE 72 1.600 -0.693 5.605 545 HG21 ILE 72 HG21 ILE 72 -0.108 -2.259 2.940 546 HG22 ILE 72 HG22 ILE 72 0.519 -3.816 3.474 547 HG23 ILE 72 HG23 ILE 72 1.271 -2.984 2.114 548 HD11 ILE 72 HD11 ILE 72 -0.417 -0.304 3.401 549 HD12 ILE 72 HD12 ILE 72 1.248 0.245 3.202 550 HD13 ILE 72 HD13 ILE 72 0.256 0.893 4.507 551 H ASP 73 H ASP 73 4.702 -2.990 4.007 552 HA ASP 73 HA ASP 73 4.683 -4.996 2.025 553 HB2 ASP 73 HB3 ASP 73 6.969 -3.918 3.699 554 HB3 ASP 73 HB2 ASP 73 7.182 -4.941 2.282 555 H ALA 74 H ALA 74 5.457 -5.207 5.488 556 HA ALA 74 HA ALA 74 6.413 -7.904 5.431 557 HB1 ALA 74 HB1 ALA 74 5.217 -6.159 7.577 558 HB2 ALA 74 HB2 ALA 74 6.876 -6.734 7.423 559 HB3 ALA 74 HB3 ALA 74 5.598 -7.850 7.901 560 H PHE 75 H PHE 75 3.158 -6.570 6.030 561 HA PHE 75 HA PHE 75 1.905 -9.130 6.401 562 HB2 PHE 75 HB3 PHE 75 0.869 -6.962 7.063 563 HB3 PHE 75 HB2 PHE 75 0.654 -6.583 5.358 564 HD1 PHE 75 HD1 PHE 75 -0.340 -8.881 8.085 565 HD2 PHE 75 HD2 PHE 75 -1.060 -7.640 4.036 566 HE1 PHE 75 HE1 PHE 75 -2.447 -10.191 8.057 567 HE2 PHE 75 HE2 PHE 75 -3.166 -8.949 4.009 568 HZ PHE 75 HZ PHE 75 -3.859 -10.226 6.020 569 H VAL 76 H VAL 76 2.225 -7.017 3.551 570 HA VAL 76 HA VAL 76 0.849 -8.743 1.740 571 HB VAL 76 HB VAL 76 2.975 -6.629 1.316 572 HG11 VAL 76 HG11 VAL 76 1.588 -8.475 -0.565 573 HG12 VAL 76 HG12 VAL 76 3.195 -7.755 -0.674 574 HG13 VAL 76 HG13 VAL 76 1.769 -6.795 -1.069 575 HG21 VAL 76 HG21 VAL 76 -0.015 -6.619 0.797 576 HG22 VAL 76 HG22 VAL 76 1.085 -5.251 0.633 577 HG23 VAL 76 HG23 VAL 76 0.745 -5.924 2.228 578 H VAL 77 H VAL 77 4.285 -8.480 2.650 579 HA VAL 77 HA VAL 77 5.314 -10.311 0.743 580 HB VAL 77 HB VAL 77 6.213 -9.586 3.539 581 HG11 VAL 77 HG11 VAL 77 8.440 -10.543 2.554 582 HG12 VAL 77 HG12 VAL 77 7.367 -11.446 1.485 583 HG13 VAL 77 HG13 VAL 77 7.251 -11.653 3.233 584 HG21 VAL 77 HG21 VAL 77 7.783 -8.877 1.133 585 HG22 VAL 77 HG22 VAL 77 7.385 -7.897 2.545 586 HG23 VAL 77 HG23 VAL 77 6.207 -8.093 1.247 587 H GLY 78 H GLY 78 4.038 -10.849 4.026 588 HA2 GLY 78 HA3 GLY 78 4.583 -13.650 4.124 589 HA3 GLY 78 HA2 GLY 78 3.362 -12.823 5.090 590 H ALA 79 H ALA 79 1.789 -11.846 2.860 591 HA ALA 79 HA ALA 79 0.375 -14.355 2.260 592 HB1 ALA 79 HB1 ALA 79 -1.347 -12.813 1.280 593 HB2 ALA 79 HB2 ALA 79 -0.300 -11.457 1.700 594 HB3 ALA 79 HB3 ALA 79 -0.978 -12.475 2.972 595 H THR 80 H THR 80 1.711 -11.633 0.378 596 HA THR 80 HA THR 80 2.045 -13.536 -1.903 597 HB THR 80 HB THR 80 1.287 -11.899 -3.464 598 HG1 THR 80 HG1 THR 80 2.140 -10.226 -1.603 599 HG21 THR 80 HG21 THR 80 -0.543 -11.594 -1.073 600 HG22 THR 80 HG22 THR 80 -0.485 -13.044 -2.075 601 HG23 THR 80 HG23 THR 80 -0.987 -11.506 -2.777 602 H THR 81 H THR 81 3.844 -12.962 -3.327 603 HA THR 81 HA THR 81 5.713 -10.936 -2.223 604 HB THR 81 HB THR 81 6.566 -12.898 -1.212 605 HG1 THR 81 HG1 THR 81 8.130 -13.266 -3.401 606 HG21 THR 81 HG21 THR 81 5.639 -14.164 -3.748 607 HG22 THR 81 HG22 THR 81 5.483 -14.731 -2.086 608 HG23 THR 81 HG23 THR 81 7.022 -14.895 -2.932 609 HA PRO 82 HA PRO 82 5.285 -10.582 -6.809 610 HB2 PRO 82 HB3 PRO 82 6.071 -7.796 -6.281 611 HB3 PRO 82 HB2 PRO 82 4.634 -8.417 -7.109 612 HG2 PRO 82 HG3 PRO 82 4.549 -7.275 -4.664 613 HG3 PRO 82 HG2 PRO 82 3.413 -8.526 -5.194 614 HD2 PRO 82 HD3 PRO 82 5.744 -8.765 -3.337 615 HD3 PRO 82 HD2 PRO 82 4.194 -9.636 -3.327 616 HA PRO 83 HA PRO 83 9.502 -10.490 -8.154 617 HB2 PRO 83 HB3 PRO 83 9.275 -7.953 -9.654 618 HB3 PRO 83 HB2 PRO 83 9.627 -9.584 -10.250 619 HG2 PRO 83 HG3 PRO 83 7.278 -8.352 -10.689 620 HG3 PRO 83 HG2 PRO 83 7.426 -10.108 -10.518 621 HD2 PRO 83 HD3 PRO 83 6.374 -8.107 -8.563 622 HD3 PRO 83 HD2 PRO 83 5.893 -9.798 -8.825 623 H VAL 84 H VAL 84 11.572 -9.599 -7.625 624 HA VAL 84 HA VAL 84 11.436 -7.265 -5.768 625 HB VAL 84 HB VAL 84 13.615 -9.352 -6.062 626 HG11 VAL 84 HG11 VAL 84 14.793 -7.863 -4.843 627 HG12 VAL 84 HG12 VAL 84 13.668 -8.182 -3.523 628 HG13 VAL 84 HG13 VAL 84 13.379 -6.832 -4.619 629 HG21 VAL 84 HG21 VAL 84 11.125 -9.194 -4.401 630 HG22 VAL 84 HG22 VAL 84 12.572 -9.899 -3.678 631 HG23 VAL 84 HG23 VAL 84 11.887 -10.601 -5.144 632 H GLU 85 H GLU 85 12.398 -5.391 -6.374 633 HA GLU 85 HA GLU 85 14.537 -5.475 -8.433 634 HB2 GLU 85 HB3 GLU 85 12.126 -3.635 -8.507 635 HB3 GLU 85 HB2 GLU 85 13.501 -3.563 -9.611 636 HG2 GLU 85 HG3 GLU 85 13.013 -5.896 -10.327 637 HG3 GLU 85 HG2 GLU 85 11.593 -5.898 -9.280 638 H ALA 86 H ALA 86 15.911 -3.543 -8.368 639 HA ALA 86 HA ALA 86 16.440 -2.620 -5.712 640 HB1 ALA 86 HB1 ALA 86 18.341 -2.313 -6.941 641 HB2 ALA 86 HB2 ALA 86 17.638 -0.728 -7.267 642 HB3 ALA 86 HB3 ALA 86 17.446 -2.035 -8.436 643 H LYS 87 H LYS 87 15.809 -0.730 -4.655 644 HA LYS 87 HA LYS 87 13.485 0.664 -5.823 645 HB2 LYS 87 HB3 LYS 87 13.587 -0.114 -3.400 646 HB3 LYS 87 HB2 LYS 87 14.768 1.169 -3.129 647 HG2 LYS 87 HG3 LYS 87 13.136 2.840 -3.944 648 HG3 LYS 87 HG2 LYS 87 11.952 1.556 -4.186 649 HD2 LYS 87 HD3 LYS 87 12.188 0.994 -1.734 650 HD3 LYS 87 HD2 LYS 87 13.165 2.452 -1.560 651 HE2 LYS 87 HE3 LYS 87 10.265 2.264 -2.402 652 HE3 LYS 87 HE2 LYS 87 10.925 3.080 -0.985 653 HZ1 LYS 87 HZ1 LYS 87 10.614 4.801 -2.462 654 HZ2 LYS 87 HZ2 LYS 87 11.060 3.878 -3.817 655 HZ3 LYS 87 HZ3 LYS 87 12.245 4.419 -2.726 656 H LEU 88 H LEU 88 13.473 2.856 -6.361 657 HA LEU 88 HA LEU 88 15.853 4.026 -7.343 658 HB2 LEU 88 HB3 LEU 88 13.335 5.462 -6.448 659 HB3 LEU 88 HB2 LEU 88 14.554 6.092 -7.558 660 HG LEU 88 HG LEU 88 12.808 3.654 -8.014 661 HD11 LEU 88 HD11 LEU 88 12.307 6.390 -8.420 662 HD12 LEU 88 HD12 LEU 88 11.399 5.039 -9.100 663 HD13 LEU 88 HD13 LEU 88 12.728 5.757 -10.011 664 HD21 LEU 88 HD21 LEU 88 15.200 4.780 -9.435 665 HD22 LEU 88 HD22 LEU 88 13.923 4.024 -10.387 666 HD23 LEU 88 HD23 LEU 88 14.766 3.096 -9.147 667 H GLN 89 H GLN 89 14.361 4.234 -4.151 668 HA GLN 89 HA GLN 89 15.123 5.244 -2.172 669 HB2 GLN 89 HB3 GLN 89 17.770 4.826 -3.598 670 HB3 GLN 89 HB2 GLN 89 17.617 5.298 -1.907 671 HG2 GLN 89 HG3 GLN 89 16.380 2.792 -3.080 672 HG3 GLN 89 HG2 GLN 89 17.930 2.825 -2.238 673 HE21 GLN 89 HE21 GLN 89 15.184 1.613 -1.480 674 HE22 GLN 89 HE22 GLN 89 14.898 2.210 0.083 675 H3 7V9 101 1H1 NIA 101 -9.396 3.088 9.288 676 H4 7V9 101 2H1 NIA 101 -9.382 1.983 7.916 677 H5 7V9 101 1HE1 NIA 101 -8.233 0.073 8.301 678 H6 7V9 101 2HE1 NIA 101 -9.847 -0.613 8.491 679 H7 7V9 101 3HE1 NIA 101 -8.591 -0.967 9.679 680 H8 7V9 101 2HE2 NIA 101 -10.286 0.080 11.563 681 H9 7V9 101 3HE2 NIA 101 -11.311 0.039 10.128 682 H10 7V9 101 1HE2 NIA 101 -11.119 1.541 11.031 683 H11 7V9 101 3H NIA 101 -7.881 0.581 11.266 684 H12 7V9 101 3HO NIA 101 -7.966 2.890 12.000 685 H13 7V9 101 5H NIA 101 -6.365 0.278 9.429 686 H14 7V9 101 1H6 NIA 101 -6.039 2.717 7.741 687 H15 7V9 101 2H6 NIA 101 -4.652 1.705 8.122 688 H16 7V9 101 1H7 NIA 101 -7.085 0.963 6.483 689 H17 7V9 101 2H7 NIA 101 -5.927 -0.231 7.069 690 H18 7V9 101 9H NIA 101 -4.782 -0.794 5.228 691 H19 7V9 101 1H10 NIA 101 -4.769 1.109 3.024 692 H20 7V9 101 2H10 NIA 101 -3.145 0.699 3.572 693 H21 7V9 101 1H11 NIA 101 -4.768 -0.778 1.794 694 H22 7V9 101 2H11 NIA 101 -4.730 -1.702 3.296 695 H25 7V9 101 5H1 NIA 101 0.055 -1.607 0.752 696 H26 7V9 101 7H1 NIA 101 -0.950 -2.806 -3.136 697 H27 7V9 101 8H1 NIA 101 -3.172 -1.716 -2.932 698 H28 7V9 101 9H1 NIA 101 -3.491 -0.083 -1.051 Start of MODEL 14 1 H1 MET 1 H1 MET 1 11.676 -6.418 4.629 2 H2 MET 1 H2 MET 1 13.339 -6.339 4.968 3 H3 MET 1 H3 MET 1 12.772 -7.330 3.709 4 HA MET 1 HA MET 1 11.803 -4.851 3.082 5 HB2 MET 1 HB3 MET 1 14.659 -4.718 4.098 6 HB3 MET 1 HB2 MET 1 13.885 -3.468 3.122 7 HG2 MET 1 HG3 MET 1 12.113 -3.258 4.866 8 HG3 MET 1 HG2 MET 1 12.992 -4.422 5.858 9 HE1 MET 1 HE1 MET 1 12.798 -2.902 7.628 10 HE2 MET 1 HE2 MET 1 12.394 -1.301 7.013 11 HE3 MET 1 HE3 MET 1 13.855 -1.526 7.974 12 H GLN 2 H GLN 2 11.992 -7.267 1.844 13 HA GLN 2 HA GLN 2 14.286 -7.735 0.235 14 HB2 GLN 2 HB3 GLN 2 11.363 -8.278 -0.373 15 HB3 GLN 2 HB2 GLN 2 12.721 -8.958 -1.270 16 HG2 GLN 2 HG3 GLN 2 13.550 -10.043 0.777 17 HG3 GLN 2 HG2 GLN 2 12.217 -9.344 1.696 18 HE21 GLN 2 HE21 GLN 2 12.513 -12.168 1.555 19 HE22 GLN 2 HE22 GLN 2 11.238 -12.808 0.636 20 H HIS 3 H HIS 3 11.521 -5.580 -0.221 21 HA HIS 3 HA HIS 3 13.059 -4.090 -2.249 22 HB2 HIS 3 HB3 HIS 3 10.287 -5.158 -2.872 23 HB3 HIS 3 HB2 HIS 3 11.309 -4.191 -3.936 24 HD1 HIS 3 HD1 HIS 3 13.731 -5.377 -4.512 25 HD2 HIS 3 HD2 HIS 3 10.674 -7.882 -3.177 26 HE1 HIS 3 HE1 HIS 3 14.401 -7.734 -5.159 27 HE2 HIS 3 HE2 HIS 3 12.548 -9.267 -4.351 28 H ALA 4 H ALA 4 12.632 -3.056 0.142 29 HA ALA 4 HA ALA 4 10.113 -1.857 0.686 30 HB1 ALA 4 HB1 ALA 4 12.351 -1.998 2.097 31 HB2 ALA 4 HB2 ALA 4 11.207 -0.682 2.361 32 HB3 ALA 4 HB3 ALA 4 12.646 -0.415 1.377 33 H SER 5 H SER 5 12.803 -0.781 -1.359 34 HA SER 5 HA SER 5 11.919 1.884 -1.790 35 HB2 SER 5 HB3 SER 5 13.302 0.076 -3.792 36 HB3 SER 5 HB2 SER 5 13.276 1.837 -3.817 37 HG SER 5 HG SER 5 15.084 0.438 -2.717 38 H VAL 6 H VAL 6 11.044 -1.139 -3.435 39 HA VAL 6 HA VAL 6 9.369 0.099 -5.420 40 HB VAL 6 HB VAL 6 9.375 -2.692 -4.260 41 HG11 VAL 6 HG11 VAL 6 7.776 -1.460 -6.509 42 HG12 VAL 6 HG12 VAL 6 7.174 -2.370 -5.123 43 HG13 VAL 6 HG13 VAL 6 8.064 -3.196 -6.402 44 HG21 VAL 6 HG21 VAL 6 10.551 -3.283 -6.287 45 HG22 VAL 6 HG22 VAL 6 11.382 -1.898 -5.577 46 HG23 VAL 6 HG23 VAL 6 10.307 -1.670 -6.956 47 H ILE 7 H ILE 7 8.794 -1.136 -2.167 48 HA ILE 7 HA ILE 7 5.963 -0.982 -2.155 49 HB ILE 7 HB ILE 7 7.915 -0.527 0.114 50 HG12 ILE 7 HG13 ILE 7 6.418 -3.021 -0.753 51 HG13 ILE 7 HG12 ILE 7 8.115 -2.706 -1.110 52 HG21 ILE 7 HG21 ILE 7 5.687 0.297 0.690 53 HG22 ILE 7 HG22 ILE 7 5.979 -1.225 1.532 54 HG23 ILE 7 HG23 ILE 7 4.954 -1.192 0.097 55 HD11 ILE 7 HD11 ILE 7 8.495 -3.796 0.847 56 HD12 ILE 7 HD12 ILE 7 6.848 -3.535 1.422 57 HD13 ILE 7 HD13 ILE 7 8.052 -2.257 1.586 58 H ALA 8 H ALA 8 8.409 1.511 -1.464 59 HA ALA 8 HA ALA 8 6.565 3.514 -0.587 60 HB1 ALA 8 HB1 ALA 8 9.377 3.406 -1.429 61 HB2 ALA 8 HB2 ALA 8 8.623 4.369 -0.158 62 HB3 ALA 8 HB3 ALA 8 8.584 4.930 -1.830 63 H GLN 9 H GLN 9 7.987 2.909 -3.803 64 HA GLN 9 HA GLN 9 6.378 4.934 -5.078 65 HB2 GLN 9 HB3 GLN 9 7.529 4.414 -6.983 66 HB3 GLN 9 HB2 GLN 9 8.603 3.618 -5.837 67 HG2 GLN 9 HG3 GLN 9 8.219 1.969 -7.469 68 HG3 GLN 9 HG2 GLN 9 7.093 1.545 -6.186 69 HE21 GLN 9 HE21 GLN 9 5.281 0.748 -7.316 70 HE22 GLN 9 HE22 GLN 9 4.481 1.594 -8.552 71 H PHE 10 H PHE 10 5.965 1.493 -4.462 72 HA PHE 10 HA PHE 10 3.705 1.112 -6.190 73 HB2 PHE 10 HB3 PHE 10 5.077 -0.720 -5.156 74 HB3 PHE 10 HB2 PHE 10 4.327 -0.341 -3.607 75 HD1 PHE 10 HD1 PHE 10 2.085 -1.020 -3.100 76 HD2 PHE 10 HD2 PHE 10 3.671 -1.530 -7.058 77 HE1 PHE 10 HE1 PHE 10 0.140 -2.439 -3.697 78 HE2 PHE 10 HE2 PHE 10 1.727 -2.949 -7.655 79 HZ PHE 10 HZ PHE 10 -0.037 -3.402 -5.974 80 H VAL 11 H VAL 11 3.872 1.714 -2.670 81 HA VAL 11 HA VAL 11 1.010 1.991 -2.405 82 HB VAL 11 HB VAL 11 2.710 1.452 -0.559 83 HG11 VAL 11 HG11 VAL 11 3.838 3.251 0.507 84 HG12 VAL 11 HG12 VAL 11 2.905 4.462 -0.373 85 HG13 VAL 11 HG13 VAL 11 4.119 3.500 -1.217 86 HG21 VAL 11 HG21 VAL 11 0.606 1.730 0.335 87 HG22 VAL 11 HG22 VAL 11 0.375 3.301 -0.433 88 HG23 VAL 11 HG23 VAL 11 1.364 3.168 1.021 89 H VAL 12 H VAL 12 3.667 4.303 -2.843 90 HA VAL 12 HA VAL 12 2.097 6.659 -2.456 91 HB VAL 12 HB VAL 12 4.617 6.222 -4.060 92 HG11 VAL 12 HG11 VAL 12 4.262 8.307 -4.841 93 HG12 VAL 12 HG12 VAL 12 4.494 8.871 -3.189 94 HG13 VAL 12 HG13 VAL 12 2.868 8.536 -3.786 95 HG21 VAL 12 HG21 VAL 12 5.784 6.672 -2.116 96 HG22 VAL 12 HG22 VAL 12 4.354 5.914 -1.414 97 HG23 VAL 12 HG23 VAL 12 4.492 7.672 -1.452 98 H GLU 13 H GLU 13 2.857 4.816 -5.416 99 HA GLU 13 HA GLU 13 1.714 6.583 -7.290 100 HB2 GLU 13 HB3 GLU 13 2.042 3.606 -7.223 101 HB3 GLU 13 HB2 GLU 13 1.163 4.366 -8.543 102 HG2 GLU 13 HG3 GLU 13 3.106 5.824 -8.993 103 HG3 GLU 13 HG2 GLU 13 3.990 5.025 -7.700 104 H GLU 14 H GLU 14 0.178 4.458 -4.989 105 HA GLU 14 HA GLU 14 -2.418 4.407 -6.209 106 HB2 GLU 14 HB3 GLU 14 -1.670 2.903 -4.338 107 HB3 GLU 14 HB2 GLU 14 -1.772 4.285 -3.251 108 HG2 GLU 14 HG3 GLU 14 -4.163 4.560 -3.854 109 HG3 GLU 14 HG2 GLU 14 -4.050 3.130 -4.880 110 H PHE 15 H PHE 15 -0.716 6.792 -4.285 111 HA PHE 15 HA PHE 15 -2.908 8.705 -4.811 112 HB2 PHE 15 HB3 PHE 15 -3.175 9.365 -2.511 113 HB3 PHE 15 HB2 PHE 15 -3.363 7.613 -2.572 114 HD1 PHE 15 HD1 PHE 15 -1.367 6.145 -2.000 115 HD2 PHE 15 HD2 PHE 15 -1.450 10.367 -1.218 116 HE1 PHE 15 HE1 PHE 15 0.497 5.880 -0.388 117 HE2 PHE 15 HE2 PHE 15 0.417 10.104 0.393 118 HZ PHE 15 HZ PHE 15 1.391 7.861 0.809 119 H LEU 16 H LEU 16 -0.276 8.584 -5.912 120 HA LEU 16 HA LEU 16 1.407 10.430 -4.424 121 HB2 LEU 16 HB3 LEU 16 3.061 9.912 -5.900 122 HB3 LEU 16 HB2 LEU 16 2.031 8.532 -6.203 123 HG LEU 16 HG LEU 16 2.077 11.090 -7.843 124 HD11 LEU 16 HD11 LEU 16 2.735 8.912 -9.435 125 HD12 LEU 16 HD12 LEU 16 3.596 8.604 -7.927 126 HD13 LEU 16 HD13 LEU 16 3.861 10.114 -8.801 127 HD21 LEU 16 HD21 LEU 16 0.233 10.337 -8.947 128 HD22 LEU 16 HD22 LEU 16 -0.027 9.301 -7.548 129 HD23 LEU 16 HD23 LEU 16 0.822 8.676 -8.957 130 HA PRO 17 HA PRO 17 -0.559 14.025 -6.245 131 HB2 PRO 17 HB3 PRO 17 1.081 15.937 -5.209 132 HB3 PRO 17 HB2 PRO 17 -0.113 15.078 -4.221 133 HG2 PRO 17 HG3 PRO 17 2.821 14.643 -4.443 134 HG3 PRO 17 HG2 PRO 17 1.777 14.597 -3.014 135 HD2 PRO 17 HD3 PRO 17 2.652 12.347 -4.339 136 HD3 PRO 17 HD2 PRO 17 1.161 12.417 -3.377 137 H ASP 18 H ASP 18 1.187 16.310 -6.911 138 HA ASP 18 HA ASP 18 2.138 15.365 -9.496 139 HB2 ASP 18 HB3 ASP 18 2.234 18.065 -8.144 140 HB3 ASP 18 HB2 ASP 18 2.795 17.771 -9.785 141 H VAL 19 H VAL 19 3.450 14.682 -6.742 142 HA VAL 19 HA VAL 19 6.227 15.523 -7.474 143 HB VAL 19 HB VAL 19 5.180 14.609 -4.778 144 HG11 VAL 19 HG11 VAL 19 7.432 14.229 -4.573 145 HG12 VAL 19 HG12 VAL 19 7.457 15.967 -4.277 146 HG13 VAL 19 HG13 VAL 19 7.846 15.340 -5.879 147 HG21 VAL 19 HG21 VAL 19 4.195 16.705 -4.993 148 HG22 VAL 19 HG22 VAL 19 5.457 17.302 -6.070 149 HG23 VAL 19 HG23 VAL 19 5.770 17.157 -4.341 150 H ALA 20 H ALA 20 7.729 13.916 -7.859 151 HA ALA 20 HA ALA 20 6.816 11.251 -8.373 152 HB1 ALA 20 HB1 ALA 20 9.306 12.751 -8.611 153 HB2 ALA 20 HB2 ALA 20 8.693 11.436 -9.613 154 HB3 ALA 20 HB3 ALA 20 9.581 11.077 -8.132 155 HA PRO 21 HA PRO 21 6.911 9.398 -4.305 156 HB2 PRO 21 HB3 PRO 21 8.310 7.090 -5.525 157 HB3 PRO 21 HB2 PRO 21 6.781 7.138 -4.633 158 HG2 PRO 21 HG3 PRO 21 6.983 6.830 -7.333 159 HG3 PRO 21 HG2 PRO 21 5.563 7.471 -6.500 160 HD2 PRO 21 HD3 PRO 21 7.484 8.879 -8.211 161 HD3 PRO 21 HD2 PRO 21 5.874 9.388 -7.659 162 H ALA 22 H ALA 22 9.807 9.334 -6.323 163 HA ALA 22 HA ALA 22 11.681 8.680 -4.253 164 HB1 ALA 22 HB1 ALA 22 13.177 10.156 -5.961 165 HB2 ALA 22 HB2 ALA 22 11.799 9.799 -7.003 166 HB3 ALA 22 HB3 ALA 22 12.726 8.481 -6.283 167 H ASP 23 H ASP 23 10.038 11.621 -5.116 168 HA ASP 23 HA ASP 23 11.838 13.221 -3.378 169 HB2 ASP 23 HB3 ASP 23 9.598 14.011 -5.259 170 HB3 ASP 23 HB2 ASP 23 10.482 15.156 -4.250 171 H VAL 24 H VAL 24 9.359 11.235 -2.850 172 HA VAL 24 HA VAL 24 7.936 13.049 -0.956 173 HB VAL 24 HB VAL 24 7.200 10.250 -1.873 174 HG11 VAL 24 HG11 VAL 24 5.662 12.352 -0.315 175 HG12 VAL 24 HG12 VAL 24 6.304 10.848 0.343 176 HG13 VAL 24 HG13 VAL 24 5.011 10.805 -0.856 177 HG21 VAL 24 HG21 VAL 24 7.168 12.184 -3.592 178 HG22 VAL 24 HG22 VAL 24 5.833 12.831 -2.641 179 HG23 VAL 24 HG23 VAL 24 5.688 11.246 -3.401 180 H ASP 25 H ASP 25 8.165 12.730 1.231 181 HA ASP 25 HA ASP 25 10.284 10.990 2.158 182 HB2 ASP 25 HB3 ASP 25 8.183 12.580 3.661 183 HB3 ASP 25 HB2 ASP 25 9.534 11.745 4.426 184 H VAL 26 H VAL 26 9.541 8.885 1.454 185 HA VAL 26 HA VAL 26 7.012 7.765 2.197 186 HB VAL 26 HB VAL 26 8.025 5.603 1.675 187 HG11 VAL 26 HG11 VAL 26 7.631 6.443 -0.403 188 HG12 VAL 26 HG12 VAL 26 9.386 6.601 -0.486 189 HG13 VAL 26 HG13 VAL 26 8.396 7.986 -0.027 190 HG21 VAL 26 HG21 VAL 26 10.131 5.428 2.573 191 HG22 VAL 26 HG22 VAL 26 10.504 7.129 2.288 192 HG23 VAL 26 HG23 VAL 26 10.611 5.969 0.964 193 H ASP 27 H ASP 27 9.403 8.831 4.212 194 HA ASP 27 HA ASP 27 9.136 6.662 6.196 195 HB2 ASP 27 HB3 ASP 27 10.758 7.940 7.492 196 HB3 ASP 27 HB2 ASP 27 11.332 7.795 5.836 197 H LEU 28 H LEU 28 7.134 8.945 5.207 198 HA LEU 28 HA LEU 28 6.388 10.045 7.853 199 HB2 LEU 28 HB3 LEU 28 6.403 11.497 5.805 200 HB3 LEU 28 HB2 LEU 28 5.104 10.509 5.149 201 HG LEU 28 HG LEU 28 3.831 11.029 7.324 202 HD11 LEU 28 HD11 LEU 28 6.292 12.318 7.911 203 HD12 LEU 28 HD12 LEU 28 4.817 12.325 8.876 204 HD13 LEU 28 HD13 LEU 28 5.094 13.591 7.682 205 HD21 LEU 28 HD21 LEU 28 4.424 12.892 5.062 206 HD22 LEU 28 HD22 LEU 28 3.458 13.504 6.405 207 HD23 LEU 28 HD23 LEU 28 2.909 12.099 5.493 208 H ASP 29 H ASP 29 4.614 9.346 8.982 209 HA ASP 29 HA ASP 29 3.472 6.807 8.386 210 HB2 ASP 29 HB3 ASP 29 2.450 9.050 10.156 211 HB3 ASP 29 HB2 ASP 29 1.787 7.417 10.137 212 H LEU 30 H LEU 30 1.996 6.324 6.840 213 HA LEU 30 HA LEU 30 0.796 8.355 5.211 214 HB2 LEU 30 HB3 LEU 30 -0.039 5.448 5.477 215 HB3 LEU 30 HB2 LEU 30 -0.400 6.523 4.125 216 HG LEU 30 HG LEU 30 2.354 5.612 5.003 217 HD11 LEU 30 HD11 LEU 30 1.578 3.821 3.772 218 HD12 LEU 30 HD12 LEU 30 2.147 4.841 2.450 219 HD13 LEU 30 HD13 LEU 30 0.434 4.808 2.863 220 HD21 LEU 30 HD21 LEU 30 2.790 7.735 4.160 221 HD22 LEU 30 HD22 LEU 30 1.385 7.711 3.094 222 HD23 LEU 30 HD23 LEU 30 2.829 6.790 2.671 223 H VAL 31 H VAL 31 0.050 7.535 8.332 224 HA VAL 31 HA VAL 31 -2.748 7.264 8.422 225 HB VAL 31 HB VAL 31 -0.920 8.824 10.271 226 HG11 VAL 31 HG11 VAL 31 -2.945 8.227 11.868 227 HG12 VAL 31 HG12 VAL 31 -3.854 8.222 10.358 228 HG13 VAL 31 HG13 VAL 31 -2.996 9.676 10.865 229 HG21 VAL 31 HG21 VAL 31 -1.521 6.000 9.863 230 HG22 VAL 31 HG22 VAL 31 -1.872 6.511 11.514 231 HG23 VAL 31 HG23 VAL 31 -0.261 6.748 10.842 232 H ASP 32 H ASP 32 -0.792 10.209 8.122 233 HA ASP 32 HA ASP 32 -2.899 12.107 8.216 234 HB2 ASP 32 HB3 ASP 32 -0.342 12.116 6.575 235 HB3 ASP 32 HB2 ASP 32 -1.404 13.513 6.754 236 H ASN 33 H ASN 33 -1.730 10.021 5.643 237 HA ASN 33 HA ASN 33 -3.663 11.090 3.703 238 HB2 ASN 33 HB3 ASN 33 -1.781 8.727 3.517 239 HB3 ASN 33 HB2 ASN 33 -2.704 9.409 2.182 240 HD21 ASN 33 HD21 ASN 33 0.250 9.649 3.912 241 HD22 ASN 33 HD22 ASN 33 0.795 11.104 3.229 242 H GLY 34 H GLY 34 -4.329 9.629 6.319 243 HA2 GLY 34 HA3 GLY 34 -5.319 7.078 6.052 244 HA3 GLY 34 HA2 GLY 34 -6.192 8.322 6.947 245 H VAL 35 H VAL 35 -6.260 9.790 4.175 246 HA VAL 35 HA VAL 35 -8.937 9.181 3.504 247 HB VAL 35 HB VAL 35 -6.677 10.258 1.793 248 HG11 VAL 35 HG11 VAL 35 -9.033 11.097 0.635 249 HG12 VAL 35 HG12 VAL 35 -9.410 9.434 1.085 250 HG13 VAL 35 HG13 VAL 35 -8.031 9.774 0.039 251 HG21 VAL 35 HG21 VAL 35 -8.000 11.408 3.896 252 HG22 VAL 35 HG22 VAL 35 -9.006 11.918 2.540 253 HG23 VAL 35 HG23 VAL 35 -7.288 12.316 2.563 254 H ILE 36 H ILE 36 -5.903 7.791 2.351 255 HA ILE 36 HA ILE 36 -7.087 6.052 0.370 256 HB ILE 36 HB ILE 36 -4.603 6.815 0.693 257 HG12 ILE 36 HG13 ILE 36 -5.381 3.966 -0.009 258 HG13 ILE 36 HG12 ILE 36 -5.303 5.338 -1.115 259 HG21 ILE 36 HG21 ILE 36 -3.245 5.460 2.075 260 HG22 ILE 36 HG22 ILE 36 -4.488 4.218 2.225 261 HG23 ILE 36 HG23 ILE 36 -4.676 5.758 3.062 262 HD11 ILE 36 HD11 ILE 36 -3.162 3.598 -0.207 263 HD12 ILE 36 HD12 ILE 36 -2.795 5.290 0.133 264 HD13 ILE 36 HD13 ILE 36 -3.159 4.783 -1.514 265 H ASP 37 H ASP 37 -6.646 5.857 3.826 266 HA ASP 37 HA ASP 37 -6.702 3.027 4.136 267 HB2 ASP 37 HB3 ASP 37 -7.694 5.200 5.998 268 HB3 ASP 37 HB2 ASP 37 -7.520 3.507 6.448 269 H SER 38 H SER 38 -9.262 5.259 3.333 270 HA SER 38 HA SER 38 -11.233 3.044 3.744 271 HB2 SER 38 2HB SER 38 -11.570 6.038 3.889 272 HB3 SER 38 1HB SER 38 -12.937 4.934 3.784 273 H LEU 39 H LEU 39 -11.049 6.005 1.728 274 HA LEU 39 HA LEU 39 -12.653 4.844 -0.348 275 HB2 LEU 39 HB3 LEU 39 -10.804 7.222 -0.323 276 HB3 LEU 39 HB2 LEU 39 -11.777 6.787 -1.721 277 HG LEU 39 HG LEU 39 -13.750 6.779 0.013 278 HD11 LEU 39 HD11 LEU 39 -13.361 8.578 1.747 279 HD12 LEU 39 HD12 LEU 39 -11.641 8.476 1.373 280 HD13 LEU 39 HD13 LEU 39 -12.483 7.078 2.042 281 HD21 LEU 39 HD21 LEU 39 -14.118 9.182 -0.455 282 HD22 LEU 39 HD22 LEU 39 -13.542 8.327 -1.886 283 HD23 LEU 39 HD23 LEU 39 -12.434 9.333 -0.954 284 H GLY 40 H GLY 40 -9.145 5.436 -0.164 285 HA2 GLY 40 HA3 GLY 40 -8.600 4.106 -2.667 286 HA3 GLY 40 HA2 GLY 40 -7.402 4.536 -1.447 287 H LEU 41 H LEU 41 -8.484 3.132 0.735 288 HA LEU 41 HA LEU 41 -7.369 0.549 0.343 289 HB2 LEU 41 HB3 LEU 41 -7.695 1.716 2.557 290 HB3 LEU 41 HB2 LEU 41 -9.408 1.322 2.440 291 HG LEU 41 HG LEU 41 -7.591 -0.967 2.002 292 HD11 LEU 41 HD11 LEU 41 -7.264 -1.206 4.505 293 HD12 LEU 41 HD12 LEU 41 -7.765 0.478 4.657 294 HD13 LEU 41 HD13 LEU 41 -6.306 0.071 3.753 295 HD21 LEU 41 HD21 LEU 41 -9.877 -0.641 3.955 296 HD22 LEU 41 HD22 LEU 41 -9.292 -2.125 3.202 297 HD23 LEU 41 HD23 LEU 41 -10.154 -0.928 2.237 298 H LEU 42 H LEU 42 -10.738 1.678 0.248 299 HA LEU 42 HA LEU 42 -11.971 -0.876 0.033 300 HB2 LEU 42 HB3 LEU 42 -13.194 1.304 0.331 301 HB3 LEU 42 HB2 LEU 42 -12.846 1.677 -1.349 302 HG LEU 42 HG LEU 42 -13.947 -0.597 -1.894 303 HD11 LEU 42 HD11 LEU 42 -14.058 -0.697 0.904 304 HD12 LEU 42 HD12 LEU 42 -14.878 -1.779 -0.219 305 HD13 LEU 42 HD13 LEU 42 -15.710 -0.352 0.399 306 HD21 LEU 42 HD21 LEU 42 -15.189 1.218 -2.631 307 HD22 LEU 42 HD22 LEU 42 -15.267 1.948 -1.026 308 HD23 LEU 42 HD23 LEU 42 -16.292 0.567 -1.419 309 H LYS 43 H LYS 43 -10.663 1.291 -2.474 310 HA LYS 43 HA LYS 43 -11.298 -0.422 -4.683 311 HB2 LYS 43 HB3 LYS 43 -9.119 1.646 -4.342 312 HB3 LYS 43 HB2 LYS 43 -9.551 0.898 -5.874 313 HG2 LYS 43 HG3 LYS 43 -11.858 1.767 -5.644 314 HG3 LYS 43 HG2 LYS 43 -11.408 2.530 -4.120 315 HD2 LYS 43 HD3 LYS 43 -11.247 4.243 -5.782 316 HD3 LYS 43 HD2 LYS 43 -9.592 3.766 -5.407 317 HE2 LYS 43 HE3 LYS 43 -9.239 3.177 -7.550 318 HE3 LYS 43 HE2 LYS 43 -10.613 2.075 -7.506 319 HZ1 LYS 43 HZ1 LYS 43 -10.577 4.144 -9.093 320 HZ2 LYS 43 HZ2 LYS 43 -11.152 4.943 -7.708 321 HZ3 LYS 43 HZ3 LYS 43 -12.015 3.630 -8.354 322 H VAL 44 H VAL 44 -8.607 -0.225 -2.424 323 HA VAL 44 HA VAL 44 -6.829 -1.995 -3.802 324 HB VAL 44 HB VAL 44 -7.111 -1.384 -0.848 325 HG11 VAL 44 HG11 VAL 44 -5.172 -3.067 -2.405 326 HG12 VAL 44 HG12 VAL 44 -5.891 -3.372 -0.825 327 HG13 VAL 44 HG13 VAL 44 -4.604 -2.177 -0.992 328 HG21 VAL 44 HG21 VAL 44 -5.627 0.352 -1.198 329 HG22 VAL 44 HG22 VAL 44 -6.423 0.349 -2.771 330 HG23 VAL 44 HG23 VAL 44 -4.860 -0.443 -2.573 331 H ILE 45 H ILE 45 -9.410 -2.658 -1.414 332 HA ILE 45 HA ILE 45 -8.818 -5.408 -1.039 333 HB ILE 45 HB ILE 45 -11.568 -4.125 -1.111 334 HG12 ILE 45 HG13 ILE 45 -10.234 -2.872 0.451 335 HG13 ILE 45 HG12 ILE 45 -11.213 -3.984 1.398 336 HG21 ILE 45 HG21 ILE 45 -12.173 -5.959 0.390 337 HG22 ILE 45 HG22 ILE 45 -10.522 -6.571 0.329 338 HG23 ILE 45 HG23 ILE 45 -11.527 -6.599 -1.119 339 HD11 ILE 45 HD11 ILE 45 -9.171 -5.587 1.207 340 HD12 ILE 45 HD12 ILE 45 -9.077 -4.237 2.338 341 HD13 ILE 45 HD13 ILE 45 -8.271 -4.132 0.773 342 H ALA 46 H ALA 46 -11.058 -3.884 -3.385 343 HA ALA 46 HA ALA 46 -11.676 -6.367 -4.709 344 HB1 ALA 46 HB1 ALA 46 -12.901 -4.055 -4.798 345 HB2 ALA 46 HB2 ALA 46 -12.883 -5.069 -6.240 346 HB3 ALA 46 HB3 ALA 46 -11.772 -3.707 -6.108 347 H TRP 47 H TRP 47 -9.302 -3.807 -5.348 348 HA TRP 47 HA TRP 47 -8.316 -4.958 -7.797 349 HB2 TRP 47 HB3 TRP 47 -7.923 -2.636 -7.391 350 HB3 TRP 47 HB2 TRP 47 -7.145 -2.978 -5.846 351 HD1 TRP 47 HD1 TRP 47 -6.480 -4.830 -9.159 352 HE1 TRP 47 HE1 TRP 47 -3.984 -4.541 -9.743 353 HE3 TRP 47 HE3 TRP 47 -5.094 -1.642 -5.455 354 HZ2 TRP 47 HZ2 TRP 47 -1.693 -3.125 -8.758 355 HZ3 TRP 47 HZ3 TRP 47 -2.754 -0.827 -5.286 356 HH2 TRP 47 HH2 TRP 47 -1.055 -1.566 -6.934 357 H LEU 48 H LEU 48 -7.230 -5.135 -4.426 358 HA LEU 48 HA LEU 48 -4.853 -6.612 -4.860 359 HB2 LEU 48 HB3 LEU 48 -5.574 -5.546 -2.694 360 HB3 LEU 48 HB2 LEU 48 -6.721 -6.858 -2.493 361 HG LEU 48 HG LEU 48 -4.822 -8.472 -2.669 362 HD11 LEU 48 HD11 LEU 48 -2.934 -7.604 -3.562 363 HD12 LEU 48 HD12 LEU 48 -2.643 -6.920 -1.963 364 HD13 LEU 48 HD13 LEU 48 -3.433 -5.952 -3.207 365 HD21 LEU 48 HD21 LEU 48 -3.759 -7.391 -0.401 366 HD22 LEU 48 HD22 LEU 48 -5.291 -8.264 -0.443 367 HD23 LEU 48 HD23 LEU 48 -5.278 -6.502 -0.510 368 H GLU 49 H GLU 49 -8.202 -7.721 -4.363 369 HA GLU 49 HA GLU 49 -7.589 -10.515 -4.346 370 HB2 GLU 49 HB3 GLU 49 -9.744 -9.718 -3.555 371 HB3 GLU 49 HB2 GLU 49 -10.128 -9.060 -5.137 372 HG2 GLU 49 HG3 GLU 49 -10.072 -11.322 -6.098 373 HG3 GLU 49 HG2 GLU 49 -9.675 -11.987 -4.521 374 H ASP 50 H ASP 50 -8.302 -8.256 -6.987 375 HA ASP 50 HA ASP 50 -8.533 -10.184 -9.058 376 HB2 ASP 50 HB3 ASP 50 -9.041 -7.716 -9.234 377 HB3 ASP 50 HB2 ASP 50 -7.303 -7.444 -9.343 378 H ARG 51 H ARG 51 -5.675 -8.670 -7.614 379 HA ARG 51 HA ARG 51 -3.841 -9.788 -9.552 380 HB2 ARG 51 HB3 ARG 51 -3.413 -8.581 -6.814 381 HB3 ARG 51 HB2 ARG 51 -2.106 -9.061 -7.894 382 HG2 ARG 51 HG3 ARG 51 -3.059 -7.551 -9.645 383 HG3 ARG 51 HG2 ARG 51 -4.256 -7.005 -8.470 384 HD2 ARG 51 HD3 ARG 51 -2.442 -5.412 -8.446 385 HD3 ARG 51 HD2 ARG 51 -2.343 -6.350 -6.955 386 HE ARG 51 HE ARG 51 -0.720 -7.392 -9.172 387 HH11 ARG 51 HH11 ARG 51 1.506 -7.384 -8.786 388 HH12 ARG 51 HH12 ARG 51 2.134 -6.496 -7.437 389 HH21 ARG 51 HH21 ARG 51 -0.975 -5.375 -6.389 390 HH22 ARG 51 HH22 ARG 51 0.729 -5.359 -6.080 391 H PHE 52 H PHE 52 -4.574 -10.703 -6.137 392 HA PHE 52 HA PHE 52 -3.177 -13.285 -6.711 393 HB2 PHE 52 HB3 PHE 52 -3.377 -11.584 -4.257 394 HB3 PHE 52 HB2 PHE 52 -3.146 -13.322 -4.083 395 HD1 PHE 52 HD1 PHE 52 -1.604 -10.165 -5.009 396 HD2 PHE 52 HD2 PHE 52 -1.188 -14.436 -5.203 397 HE1 PHE 52 HE1 PHE 52 0.800 -9.908 -5.562 398 HE2 PHE 52 HE2 PHE 52 1.214 -14.179 -5.753 399 HZ PHE 52 HZ PHE 52 2.208 -11.916 -5.935 400 H GLY 53 H GLY 53 -6.273 -12.069 -6.342 401 HA2 GLY 53 HA3 GLY 53 -8.307 -13.273 -6.176 402 HA3 GLY 53 HA2 GLY 53 -7.356 -14.753 -6.081 403 H ILE 54 H ILE 54 -6.845 -12.056 -3.880 404 HA ILE 54 HA ILE 54 -7.310 -13.822 -1.600 405 HB ILE 54 HB ILE 54 -6.810 -10.828 -1.672 406 HG12 ILE 54 HG13 ILE 54 -4.861 -13.113 -1.228 407 HG13 ILE 54 HG12 ILE 54 -5.027 -12.236 -2.749 408 HG21 ILE 54 HG21 ILE 54 -5.830 -12.208 0.654 409 HG22 ILE 54 HG22 ILE 54 -7.541 -12.580 0.441 410 HG23 ILE 54 HG23 ILE 54 -7.012 -10.903 0.568 411 HD11 ILE 54 HD11 ILE 54 -3.887 -10.440 -1.970 412 HD12 ILE 54 HD12 ILE 54 -3.328 -11.527 -0.698 413 HD13 ILE 54 HD13 ILE 54 -4.718 -10.480 -0.416 414 H ALA 55 H ALA 55 -9.133 -13.833 -0.277 415 HA ALA 55 HA ALA 55 -11.609 -12.922 -1.350 416 HB1 ALA 55 HB1 ALA 55 -12.542 -14.034 0.405 417 HB2 ALA 55 HB2 ALA 55 -11.499 -13.242 1.586 418 HB3 ALA 55 HB3 ALA 55 -10.901 -14.623 0.668 419 H ALA 56 H ALA 56 -12.615 -10.979 -1.220 420 HA ALA 56 HA ALA 56 -11.255 -8.677 -0.167 421 HB1 ALA 56 HB1 ALA 56 -14.085 -9.141 -1.134 422 HB2 ALA 56 HB2 ALA 56 -12.772 -8.316 -1.976 423 HB3 ALA 56 HB3 ALA 56 -13.528 -7.566 -0.571 424 H ASP 57 H ASP 57 -13.616 -10.904 1.134 425 HA ASP 57 HA ASP 57 -14.677 -9.407 3.271 426 HB2 ASP 57 HB3 ASP 57 -15.373 -11.724 2.561 427 HB3 ASP 57 HB2 ASP 57 -13.945 -12.333 3.394 428 H ASP 58 H ASP 58 -11.533 -10.979 2.975 429 HA ASP 58 HA ASP 58 -10.703 -11.090 5.633 430 HB2 ASP 58 HB3 ASP 58 -9.121 -10.219 3.210 431 HB3 ASP 58 HB2 ASP 58 -8.398 -10.619 4.766 432 H VAL 59 H VAL 59 -10.059 -9.602 7.165 433 HA VAL 59 HA VAL 59 -9.576 -6.801 6.448 434 HB VAL 59 HB VAL 59 -12.024 -6.818 6.542 435 HG11 VAL 59 HG11 VAL 59 -11.807 -7.759 9.404 436 HG12 VAL 59 HG12 VAL 59 -12.030 -8.890 8.070 437 HG13 VAL 59 HG13 VAL 59 -13.249 -7.658 8.395 438 HG21 VAL 59 HG21 VAL 59 -11.515 -5.644 9.195 439 HG22 VAL 59 HG22 VAL 59 -12.089 -4.872 7.717 440 HG23 VAL 59 HG23 VAL 59 -10.363 -5.137 7.959 441 H GLU 60 H GLU 60 -8.218 -9.076 7.806 442 HA GLU 60 HA GLU 60 -8.156 -8.701 10.633 443 HB2 GLU 60 HB3 GLU 60 -5.995 -9.677 8.746 444 HB3 GLU 60 HB2 GLU 60 -5.930 -9.821 10.499 445 HG2 GLU 60 HG3 GLU 60 -8.037 -11.120 10.444 446 HG3 GLU 60 HG2 GLU 60 -8.023 -11.030 8.688 447 H LEU 61 H LEU 61 -6.684 -6.917 8.012 448 HA LEU 61 HA LEU 61 -4.735 -5.551 9.683 449 HB2 LEU 61 HB3 LEU 61 -5.824 -4.891 6.933 450 HB3 LEU 61 HB2 LEU 61 -4.485 -4.049 7.704 451 HG LEU 61 HG LEU 61 -3.345 -6.304 7.925 452 HD11 LEU 61 HD11 LEU 61 -5.777 -7.069 6.349 453 HD12 LEU 61 HD12 LEU 61 -4.943 -7.961 7.620 454 HD13 LEU 61 HD13 LEU 61 -4.252 -7.880 6.001 455 HD21 LEU 61 HD21 LEU 61 -3.645 -4.572 5.649 456 HD22 LEU 61 HD22 LEU 61 -3.418 -6.228 5.088 457 HD23 LEU 61 HD23 LEU 61 -2.225 -5.486 6.153 458 H SER 62 H SER 62 -4.890 -3.449 10.532 459 HA SER 62 HA SER 62 -7.577 -2.167 10.413 460 HB2 SER 62 HB3 SER 62 -7.842 -2.353 12.647 461 HB3 SER 62 HB2 SER 62 -6.437 -3.413 12.665 462 HG SER 62 HG SER 62 -5.300 -1.852 13.494 463 HA PRO 63 HA PRO 63 -5.761 1.784 9.721 464 HB2 PRO 63 HB3 PRO 63 -6.355 2.697 12.489 465 HB3 PRO 63 HB2 PRO 63 -6.804 3.430 10.941 466 HG2 PRO 63 HG3 PRO 63 -8.569 2.113 12.462 467 HG3 PRO 63 HG2 PRO 63 -8.649 2.114 10.694 468 HD2 PRO 63 HD3 PRO 63 -7.828 -0.071 12.531 469 HD3 PRO 63 HD2 PRO 63 -8.516 -0.166 10.897 470 H GLU 64 H GLU 64 -4.914 0.295 12.804 471 HA GLU 64 HA GLU 64 -2.531 1.829 13.295 472 HB2 GLU 64 HB3 GLU 64 -3.289 -0.966 14.160 473 HB3 GLU 64 HB2 GLU 64 -1.914 -0.073 14.789 474 HG2 GLU 64 HG3 GLU 64 -3.454 1.716 15.537 475 HG3 GLU 64 HG2 GLU 64 -4.814 0.752 14.973 476 H HIS 65 H HIS 65 -3.251 -0.980 11.333 477 HA HIS 65 HA HIS 65 -0.539 -1.817 10.868 478 HB2 HIS 65 HB3 HIS 65 -2.415 -3.306 10.403 479 HB3 HIS 65 HB2 HIS 65 -3.051 -2.178 9.206 480 HD1 HIS 65 HD1 HIS 65 -2.124 -2.325 6.867 481 HD2 HIS 65 HD2 HIS 65 0.157 -4.495 9.603 482 HE1 HIS 65 HE1 HIS 65 -0.424 -3.627 5.511 483 HE2 HIS 65 HE2 HIS 65 0.971 -4.947 7.168 484 H PHE 66 H PHE 66 -2.545 0.699 9.499 485 HA PHE 66 HA PHE 66 -0.656 1.131 7.261 486 HB2 PHE 66 HB3 PHE 66 -3.194 2.590 8.058 487 HB3 PHE 66 HB2 PHE 66 -2.249 2.924 6.605 488 HD1 PHE 66 HD1 PHE 66 -2.150 1.311 4.759 489 HD2 PHE 66 HD2 PHE 66 -4.503 0.545 8.270 490 HE1 PHE 66 HE1 PHE 66 -3.319 -0.530 3.577 491 HE2 PHE 66 HE2 PHE 66 -5.672 -1.293 7.088 492 HZ PHE 66 HZ PHE 66 -5.079 -1.832 4.742 493 H ARG 67 H ARG 67 -0.406 1.732 10.383 494 HA ARG 67 HA ARG 67 -0.061 4.492 10.764 495 HB2 ARG 67 HB3 ARG 67 0.121 2.754 12.552 496 HB3 ARG 67 HB2 ARG 67 1.689 2.290 11.900 497 HG2 ARG 67 HG3 ARG 67 2.280 3.774 13.610 498 HG3 ARG 67 HG2 ARG 67 2.270 4.821 12.196 499 HD2 ARG 67 HD3 ARG 67 -0.029 5.547 12.744 500 HD3 ARG 67 HD2 ARG 67 -0.016 4.499 14.160 501 HE ARG 67 HE ARG 67 2.209 6.099 14.517 502 HH11 ARG 67 HH11 ARG 67 2.131 8.085 15.595 503 HH12 ARG 67 HH12 ARG 67 0.639 8.963 15.656 504 HH21 ARG 67 HH21 ARG 67 -1.135 6.600 13.842 505 HH22 ARG 67 HH22 ARG 67 -1.210 8.122 14.665 506 H SER 68 H SER 68 2.114 2.147 9.258 507 HA SER 68 HA SER 68 3.602 4.387 8.033 508 HB2 SER 68 HB3 SER 68 4.783 3.886 10.178 509 HB3 SER 68 HB2 SER 68 5.018 2.230 9.628 510 HG SER 68 HG SER 68 6.793 3.711 9.200 511 H ILE 69 H ILE 69 4.802 3.717 6.148 512 HA ILE 69 HA ILE 69 3.615 1.567 4.678 513 HB ILE 69 HB ILE 69 5.658 1.970 3.148 514 HG12 ILE 69 HG13 ILE 69 6.118 4.554 4.439 515 HG13 ILE 69 HG12 ILE 69 6.624 3.197 5.441 516 HG21 ILE 69 HG21 ILE 69 3.848 4.271 3.921 517 HG22 ILE 69 HG22 ILE 69 3.458 2.995 2.768 518 HG23 ILE 69 HG23 ILE 69 4.743 4.148 2.408 519 HD11 ILE 69 HD11 ILE 69 7.388 3.450 2.525 520 HD12 ILE 69 HD12 ILE 69 8.069 2.352 3.727 521 HD13 ILE 69 HD13 ILE 69 8.389 4.084 3.832 522 H ARG 70 H ARG 70 6.602 1.794 6.577 523 HA ARG 70 HA ARG 70 7.785 -0.651 5.732 524 HB2 ARG 70 HB3 ARG 70 7.927 0.748 8.418 525 HB3 ARG 70 HB2 ARG 70 8.988 -0.570 7.919 526 HG2 ARG 70 HG3 ARG 70 9.696 0.802 5.952 527 HG3 ARG 70 HG2 ARG 70 8.727 2.137 6.578 528 HD2 ARG 70 HD3 ARG 70 11.057 0.806 7.991 529 HD3 ARG 70 HD2 ARG 70 11.056 2.417 7.274 530 HE ARG 70 HE ARG 70 8.945 2.142 9.233 531 HH11 ARG 70 HH11 ARG 70 9.232 3.244 11.185 532 HH12 ARG 70 HH12 ARG 70 10.811 3.806 11.624 533 HH21 ARG 70 HH21 ARG 70 12.330 2.589 8.754 534 HH22 ARG 70 HH22 ARG 70 12.564 3.435 10.248 535 H SER 71 H SER 71 5.355 -0.005 8.249 536 HA SER 71 HA SER 71 5.342 -2.627 9.378 537 HB2 SER 71 HB3 SER 71 3.208 -2.006 10.328 538 HB3 SER 71 HB2 SER 71 4.239 -0.582 10.358 539 HG SER 71 HG SER 71 1.922 -1.070 8.979 540 H ILE 72 H ILE 72 3.662 -1.212 6.600 541 HA ILE 72 HA ILE 72 1.947 -3.445 6.085 542 HB ILE 72 HB ILE 72 3.069 -1.373 4.176 543 HG12 ILE 72 HG13 ILE 72 0.429 -1.443 5.672 544 HG13 ILE 72 HG12 ILE 72 1.813 -0.454 6.140 545 HG21 ILE 72 HG21 ILE 72 0.469 -2.283 3.479 546 HG22 ILE 72 HG22 ILE 72 1.464 -3.710 3.768 547 HG23 ILE 72 HG23 ILE 72 1.971 -2.507 2.582 548 HD11 ILE 72 HD11 ILE 72 1.743 0.558 3.815 549 HD12 ILE 72 HD12 ILE 72 0.362 0.954 4.838 550 HD13 ILE 72 HD13 ILE 72 0.204 -0.272 3.581 551 H ASP 73 H ASP 73 5.220 -2.598 5.045 552 HA ASP 73 HA ASP 73 5.608 -4.592 3.085 553 HB2 ASP 73 HB3 ASP 73 7.211 -2.741 3.648 554 HB3 ASP 73 HB2 ASP 73 7.666 -3.639 5.095 555 H ALA 74 H ALA 74 5.970 -4.788 6.626 556 HA ALA 74 HA ALA 74 6.988 -7.473 6.630 557 HB1 ALA 74 HB1 ALA 74 5.879 -5.591 8.636 558 HB2 ALA 74 HB2 ALA 74 7.344 -6.572 8.702 559 HB3 ALA 74 HB3 ALA 74 5.776 -7.304 9.045 560 H PHE 75 H PHE 75 3.680 -6.201 7.008 561 HA PHE 75 HA PHE 75 2.440 -8.745 7.394 562 HB2 PHE 75 HB3 PHE 75 1.340 -6.541 7.821 563 HB3 PHE 75 HB2 PHE 75 1.235 -6.306 6.078 564 HD1 PHE 75 HD1 PHE 75 0.083 -8.383 8.917 565 HD2 PHE 75 HD2 PHE 75 -0.358 -7.519 4.733 566 HE1 PHE 75 HE1 PHE 75 -1.993 -9.737 8.857 567 HE2 PHE 75 HE2 PHE 75 -2.435 -8.873 4.673 568 HZ PHE 75 HZ PHE 75 -3.252 -9.982 6.735 569 H VAL 76 H VAL 76 2.886 -6.810 4.420 570 HA VAL 76 HA VAL 76 1.705 -8.758 2.688 571 HB VAL 76 HB VAL 76 3.698 -6.537 2.158 572 HG11 VAL 76 HG11 VAL 76 3.970 -7.873 0.280 573 HG12 VAL 76 HG12 VAL 76 2.603 -6.876 -0.216 574 HG13 VAL 76 HG13 VAL 76 2.330 -8.515 0.373 575 HG21 VAL 76 HG21 VAL 76 0.792 -6.590 1.380 576 HG22 VAL 76 HG22 VAL 76 1.841 -5.199 1.652 577 HG23 VAL 76 HG23 VAL 76 1.250 -6.140 3.022 578 H VAL 77 H VAL 77 5.098 -8.137 3.647 579 HA VAL 77 HA VAL 77 6.270 -10.092 1.938 580 HB VAL 77 HB VAL 77 7.111 -8.940 4.605 581 HG11 VAL 77 HG11 VAL 77 9.382 -9.911 3.918 582 HG12 VAL 77 HG12 VAL 77 8.480 -10.931 2.796 583 HG13 VAL 77 HG13 VAL 77 8.188 -11.055 4.531 584 HG21 VAL 77 HG21 VAL 77 7.016 -7.611 2.350 585 HG22 VAL 77 HG22 VAL 77 8.439 -8.564 1.927 586 HG23 VAL 77 HG23 VAL 77 8.473 -7.505 3.337 587 H GLY 78 H GLY 78 4.952 -10.314 5.226 588 HA2 GLY 78 HA3 GLY 78 5.752 -12.965 5.808 589 HA3 GLY 78 HA2 GLY 78 4.319 -12.188 6.479 590 H ALA 79 H ALA 79 3.022 -11.775 3.878 591 HA ALA 79 HA ALA 79 2.168 -14.592 3.449 592 HB1 ALA 79 HB1 ALA 79 0.797 -12.017 3.540 593 HB2 ALA 79 HB2 ALA 79 0.142 -13.643 3.735 594 HB3 ALA 79 HB3 ALA 79 0.357 -12.966 2.120 595 H THR 80 H THR 80 2.797 -11.632 1.529 596 HA THR 80 HA THR 80 3.974 -13.315 -0.584 597 HB THR 80 HB THR 80 1.586 -11.556 -1.159 598 HG1 THR 80 HG1 THR 80 0.435 -13.279 -0.898 599 HG21 THR 80 HG21 THR 80 1.781 -12.881 -3.375 600 HG22 THR 80 HG22 THR 80 3.427 -13.233 -2.847 601 HG23 THR 80 HG23 THR 80 2.919 -11.562 -3.097 602 H THR 81 H THR 81 5.488 -12.176 -1.791 603 HA THR 81 HA THR 81 5.658 -9.233 -1.284 604 HB THR 81 HB THR 81 7.536 -9.992 -0.148 605 HG1 THR 81 HG1 THR 81 8.503 -8.704 -1.563 606 HG21 THR 81 HG21 THR 81 8.927 -11.926 -1.245 607 HG22 THR 81 HG22 THR 81 7.437 -12.245 -2.130 608 HG23 THR 81 HG23 THR 81 7.447 -12.314 -0.368 609 HA PRO 82 HA PRO 82 5.603 -9.785 -5.838 610 HB2 PRO 82 HB3 PRO 82 3.445 -8.300 -6.385 611 HB3 PRO 82 HB2 PRO 82 3.283 -9.923 -5.689 612 HG2 PRO 82 HG3 PRO 82 2.929 -7.280 -4.410 613 HG3 PRO 82 HG2 PRO 82 2.147 -8.827 -4.048 614 HD2 PRO 82 HD3 PRO 82 4.385 -7.663 -2.688 615 HD3 PRO 82 HD2 PRO 82 3.673 -9.268 -2.412 616 HA PRO 83 HA PRO 83 7.552 -5.616 -5.936 617 HB2 PRO 83 HB3 PRO 83 9.565 -6.219 -7.647 618 HB3 PRO 83 HB2 PRO 83 9.633 -6.623 -5.921 619 HG2 PRO 83 HG3 PRO 83 9.088 -8.370 -8.252 620 HG3 PRO 83 HG2 PRO 83 9.925 -8.733 -6.734 621 HD2 PRO 83 HD3 PRO 83 7.281 -9.432 -7.323 622 HD3 PRO 83 HD2 PRO 83 7.990 -9.375 -5.695 623 H VAL 84 H VAL 84 6.775 -4.042 -7.288 624 HA VAL 84 HA VAL 84 6.390 -4.718 -10.172 625 HB VAL 84 HB VAL 84 4.423 -3.168 -8.462 626 HG11 VAL 84 HG11 VAL 84 4.891 -3.181 -11.250 627 HG12 VAL 84 HG12 VAL 84 3.505 -2.494 -10.404 628 HG13 VAL 84 HG13 VAL 84 3.443 -4.155 -10.993 629 HG21 VAL 84 HG21 VAL 84 4.739 -6.023 -9.050 630 HG22 VAL 84 HG22 VAL 84 3.153 -5.403 -9.508 631 HG23 VAL 84 HG23 VAL 84 3.720 -5.233 -7.846 632 H GLU 85 H GLU 85 7.200 -3.154 -11.516 633 HA GLU 85 HA GLU 85 8.706 -0.959 -10.462 634 HB2 GLU 85 HB3 GLU 85 9.083 -2.013 -12.707 635 HB3 GLU 85 HB2 GLU 85 7.594 -1.253 -13.270 636 HG2 GLU 85 HG3 GLU 85 8.544 0.973 -12.667 637 HG3 GLU 85 HG2 GLU 85 10.055 0.178 -12.225 638 H ALA 86 H ALA 86 5.424 -1.189 -11.793 639 HA ALA 86 HA ALA 86 4.631 1.215 -10.346 640 HB1 ALA 86 HB1 ALA 86 5.618 2.332 -12.248 641 HB2 ALA 86 HB2 ALA 86 3.866 2.409 -12.436 642 HB3 ALA 86 HB3 ALA 86 4.804 1.244 -13.371 643 H LYS 87 H LYS 87 2.316 1.422 -10.293 644 HA LYS 87 HA LYS 87 0.861 -1.014 -10.508 645 HB2 LYS 87 HB3 LYS 87 -0.127 1.851 -10.422 646 HB3 LYS 87 HB2 LYS 87 -1.170 0.439 -10.258 647 HG2 LYS 87 HG3 LYS 87 0.241 -0.302 -8.320 648 HG3 LYS 87 HG2 LYS 87 1.121 1.222 -8.434 649 HD2 LYS 87 HD3 LYS 87 -1.010 2.457 -8.116 650 HD3 LYS 87 HD2 LYS 87 -1.855 0.918 -7.936 651 HE2 LYS 87 HE3 LYS 87 -0.200 2.373 -6.000 652 HE3 LYS 87 HE2 LYS 87 -1.405 1.115 -5.725 653 HZ1 LYS 87 HZ1 LYS 87 0.670 0.231 -5.078 654 HZ2 LYS 87 HZ2 LYS 87 1.435 0.765 -6.498 655 HZ3 LYS 87 HZ3 LYS 87 0.296 -0.495 -6.565 656 H LEU 88 H LEU 88 1.329 1.632 -12.796 657 HA LEU 88 HA LEU 88 -0.529 0.332 -14.711 658 HB2 LEU 88 HB3 LEU 88 -0.592 2.820 -14.384 659 HB3 LEU 88 HB2 LEU 88 1.053 2.902 -15.011 660 HG LEU 88 HG LEU 88 0.226 1.744 -17.100 661 HD11 LEU 88 HD11 LEU 88 -2.481 2.449 -17.051 662 HD12 LEU 88 HD12 LEU 88 -2.203 1.678 -15.489 663 HD13 LEU 88 HD13 LEU 88 -1.826 0.814 -16.980 664 HD21 LEU 88 HD21 LEU 88 -1.412 4.005 -17.413 665 HD22 LEU 88 HD22 LEU 88 0.308 3.890 -17.788 666 HD23 LEU 88 HD23 LEU 88 -0.214 4.472 -16.207 667 H GLN 89 H GLN 89 0.226 -0.917 -16.362 668 HA GLN 89 HA GLN 89 3.014 -1.624 -16.507 669 HB2 GLN 89 HB3 GLN 89 0.742 -2.121 -18.455 670 HB3 GLN 89 HB2 GLN 89 2.331 -2.879 -18.552 671 HG2 GLN 89 HG3 GLN 89 2.010 -3.888 -16.336 672 HG3 GLN 89 HG2 GLN 89 0.439 -3.098 -16.192 673 HE21 GLN 89 HE21 GLN 89 0.629 -5.939 -16.096 674 HE22 GLN 89 HE22 GLN 89 -0.088 -6.581 -17.495 675 H3 7V9 101 1H1 NIA 101 -11.352 1.954 5.749 676 H4 7V9 101 2H1 NIA 101 -12.756 1.121 6.415 677 H5 7V9 101 1HE1 NIA 101 -10.905 0.979 9.826 678 H6 7V9 101 2HE1 NIA 101 -12.463 1.537 9.214 679 H7 7V9 101 3HE1 NIA 101 -11.068 2.616 9.191 680 H8 7V9 101 2HE2 NIA 101 -9.479 2.445 7.071 681 H9 7V9 101 3HE2 NIA 101 -9.193 0.767 6.613 682 H10 7V9 101 1HE2 NIA 101 -8.973 1.273 8.287 683 H11 7V9 101 3H NIA 101 -11.337 -0.729 6.587 684 H12 7V9 101 3HO NIA 101 -13.161 -0.525 7.826 685 H13 7V9 101 5H NIA 101 -8.189 -1.073 7.464 686 H14 7V9 101 1H6 NIA 101 -10.178 -3.185 6.779 687 H15 7V9 101 2H6 NIA 101 -9.401 -2.277 5.483 688 H16 7V9 101 1H7 NIA 101 -8.341 -4.471 7.123 689 H17 7V9 101 2H7 NIA 101 -7.251 -3.089 7.018 690 H18 7V9 101 9H NIA 101 -5.808 -3.436 5.376 691 H19 7V9 101 1H10 NIA 101 -6.835 -4.397 2.759 692 H20 7V9 101 2H10 NIA 101 -6.281 -2.726 2.870 693 H21 7V9 101 1H11 NIA 101 -4.623 -5.209 3.409 694 H22 7V9 101 2H11 NIA 101 -4.057 -3.555 3.640 695 H25 7V9 101 5H1 NIA 101 -1.078 -2.015 1.571 696 H26 7V9 101 7H1 NIA 101 -1.439 -1.080 -2.500 697 H27 7V9 101 8H1 NIA 101 -2.806 -3.114 -2.886 698 H28 7V9 101 9H1 NIA 101 -2.942 -4.821 -1.068 Start of MODEL 15 1 H1 MET 1 H1 MET 1 11.578 -1.198 -0.023 2 H2 MET 1 H2 MET 1 11.215 -1.887 -1.533 3 H3 MET 1 H3 MET 1 12.796 -1.369 -1.190 4 HA MET 1 HA MET 1 13.329 -3.233 -0.108 5 HB2 MET 1 HB3 MET 1 10.483 -3.226 0.940 6 HB3 MET 1 HB2 MET 1 11.746 -4.343 1.454 7 HG2 MET 1 HG3 MET 1 13.124 -2.377 2.164 8 HG3 MET 1 HG2 MET 1 11.759 -1.329 1.773 9 HE1 MET 1 HE1 MET 1 12.746 -1.537 5.280 10 HE2 MET 1 HE2 MET 1 11.199 -0.712 5.106 11 HE3 MET 1 HE3 MET 1 12.427 -0.541 3.854 12 H GLN 2 H GLN 2 11.496 -5.543 0.191 13 HA GLN 2 HA GLN 2 11.761 -6.675 -2.409 14 HB2 GLN 2 HB3 GLN 2 9.894 -7.460 -0.148 15 HB3 GLN 2 HB2 GLN 2 10.246 -8.458 -1.560 16 HG2 GLN 2 HG3 GLN 2 12.641 -8.468 -0.953 17 HG3 GLN 2 HG2 GLN 2 12.279 -7.486 0.466 18 HE21 GLN 2 HE21 GLN 2 13.445 -10.027 0.840 19 HE22 GLN 2 HE22 GLN 2 12.300 -11.074 1.528 20 H HIS 3 H HIS 3 9.059 -5.022 -0.828 21 HA HIS 3 HA HIS 3 7.824 -4.622 -3.488 22 HB2 HIS 3 HB3 HIS 3 6.828 -6.715 -2.557 23 HB3 HIS 3 HB2 HIS 3 6.284 -5.795 -1.154 24 HD1 HIS 3 HD1 HIS 3 4.221 -4.319 -1.428 25 HD2 HIS 3 HD2 HIS 3 5.506 -5.979 -5.031 26 HE1 HIS 3 HE1 HIS 3 2.405 -3.833 -3.130 27 HE2 HIS 3 HE2 HIS 3 3.178 -4.841 -5.326 28 H ALA 4 H ALA 4 8.935 -3.255 -0.782 29 HA ALA 4 HA ALA 4 6.814 -1.590 0.154 30 HB1 ALA 4 HB1 ALA 4 8.821 -1.734 1.461 31 HB2 ALA 4 HB2 ALA 4 8.713 -0.069 0.889 32 HB3 ALA 4 HB3 ALA 4 9.816 -1.201 0.105 33 H SER 5 H SER 5 9.161 -1.159 -2.483 34 HA SER 5 HA SER 5 8.477 1.533 -3.118 35 HB2 SER 5 HB3 SER 5 10.465 0.392 -4.040 36 HB3 SER 5 HB2 SER 5 9.418 -0.672 -4.974 37 HG SER 5 HG SER 5 9.302 0.851 -6.402 38 H VAL 6 H VAL 6 7.085 -1.547 -4.201 39 HA VAL 6 HA VAL 6 5.304 -0.435 -6.138 40 HB VAL 6 HB VAL 6 5.094 -2.935 -4.458 41 HG11 VAL 6 HG11 VAL 6 2.877 -2.618 -5.113 42 HG12 VAL 6 HG12 VAL 6 3.515 -3.539 -6.476 43 HG13 VAL 6 HG13 VAL 6 3.334 -1.789 -6.601 44 HG21 VAL 6 HG21 VAL 6 6.951 -2.485 -6.282 45 HG22 VAL 6 HG22 VAL 6 5.635 -2.825 -7.407 46 HG23 VAL 6 HG23 VAL 6 6.127 -4.043 -6.230 47 H ILE 7 H ILE 7 4.982 -1.017 -2.666 48 HA ILE 7 HA ILE 7 2.225 -0.333 -2.436 49 HB ILE 7 HB ILE 7 4.471 0.004 -0.428 50 HG12 ILE 7 HG13 ILE 7 2.450 -2.237 -0.730 51 HG13 ILE 7 HG12 ILE 7 4.090 -2.312 -1.375 52 HG21 ILE 7 HG21 ILE 7 1.483 0.257 -0.274 53 HG22 ILE 7 HG22 ILE 7 2.725 1.238 0.503 54 HG23 ILE 7 HG23 ILE 7 2.363 -0.374 1.118 55 HD11 ILE 7 HD11 ILE 7 4.118 -1.446 1.392 56 HD12 ILE 7 HD12 ILE 7 4.933 -2.822 0.648 57 HD13 ILE 7 HD13 ILE 7 3.276 -2.987 1.228 58 H ALA 8 H ALA 8 5.152 1.680 -2.092 59 HA ALA 8 HA ALA 8 3.764 4.103 -1.487 60 HB1 ALA 8 HB1 ALA 8 5.999 5.030 -2.683 61 HB2 ALA 8 HB2 ALA 8 6.499 3.366 -2.377 62 HB3 ALA 8 HB3 ALA 8 5.990 4.393 -1.038 63 H GLN 9 H GLN 9 5.037 2.906 -4.610 64 HA GLN 9 HA GLN 9 3.935 5.126 -6.079 65 HB2 GLN 9 HB3 GLN 9 4.701 4.055 -8.031 66 HB3 GLN 9 HB2 GLN 9 5.846 3.544 -6.792 67 HG2 GLN 9 HG3 GLN 9 5.318 1.522 -7.839 68 HG3 GLN 9 HG2 GLN 9 4.207 1.540 -6.473 69 HE21 GLN 9 HE21 GLN 9 2.442 0.405 -7.441 70 HE22 GLN 9 HE22 GLN 9 1.600 0.987 -8.796 71 H PHE 10 H PHE 10 2.797 1.820 -5.469 72 HA PHE 10 HA PHE 10 0.482 1.943 -7.124 73 HB2 PHE 10 HB3 PHE 10 1.352 -0.138 -6.057 74 HB3 PHE 10 HB2 PHE 10 0.803 0.467 -4.495 75 HD1 PHE 10 HD1 PHE 10 -1.528 0.470 -3.892 76 HD2 PHE 10 HD2 PHE 10 -0.293 -0.693 -7.838 77 HE1 PHE 10 HE1 PHE 10 -3.800 -0.414 -4.342 78 HE2 PHE 10 HE2 PHE 10 -2.567 -1.577 -8.288 79 HZ PHE 10 HZ PHE 10 -4.320 -1.439 -6.539 80 H VAL 11 H VAL 11 0.921 2.760 -3.691 81 HA VAL 11 HA VAL 11 -1.808 3.602 -3.298 82 HB VAL 11 HB VAL 11 0.704 4.342 -1.770 83 HG11 VAL 11 HG11 VAL 11 -2.242 4.601 -1.130 84 HG12 VAL 11 HG12 VAL 11 -1.054 5.899 -1.236 85 HG13 VAL 11 HG13 VAL 11 -0.971 4.734 0.085 86 HG21 VAL 11 HG21 VAL 11 -0.117 1.848 -2.061 87 HG22 VAL 11 HG22 VAL 11 -1.340 2.329 -0.884 88 HG23 VAL 11 HG23 VAL 11 0.372 2.435 -0.471 89 H VAL 12 H VAL 12 1.216 5.401 -3.894 90 HA VAL 12 HA VAL 12 0.014 7.998 -3.897 91 HB VAL 12 HB VAL 12 2.536 6.970 -5.196 92 HG11 VAL 12 HG11 VAL 12 1.400 9.756 -4.929 93 HG12 VAL 12 HG12 VAL 12 1.983 8.954 -6.388 94 HG13 VAL 12 HG13 VAL 12 3.127 9.469 -5.147 95 HG21 VAL 12 HG21 VAL 12 2.201 6.977 -2.629 96 HG22 VAL 12 HG22 VAL 12 2.261 8.735 -2.763 97 HG23 VAL 12 HG23 VAL 12 3.648 7.765 -3.261 98 H GLU 13 H GLU 13 0.502 5.611 -6.447 99 HA GLU 13 HA GLU 13 0.003 7.190 -8.713 100 HB2 GLU 13 HB3 GLU 13 0.632 4.775 -8.757 101 HB3 GLU 13 HB2 GLU 13 -1.007 4.379 -8.261 102 HG2 GLU 13 HG3 GLU 13 -1.853 5.580 -10.291 103 HG3 GLU 13 HG2 GLU 13 -0.178 5.779 -10.801 104 H GLU 14 H GLU 14 -2.300 5.813 -6.414 105 HA GLU 14 HA GLU 14 -4.658 6.475 -7.915 106 HB2 GLU 14 HB3 GLU 14 -4.255 6.050 -4.943 107 HB3 GLU 14 HB2 GLU 14 -5.830 6.178 -5.728 108 HG2 GLU 14 HG3 GLU 14 -5.243 4.245 -7.174 109 HG3 GLU 14 HG2 GLU 14 -3.709 4.092 -6.318 110 H PHE 15 H PHE 15 -2.755 8.289 -5.530 111 HA PHE 15 HA PHE 15 -4.733 10.486 -5.592 112 HB2 PHE 15 HB3 PHE 15 -2.075 10.347 -4.144 113 HB3 PHE 15 HB2 PHE 15 -3.364 11.519 -3.870 114 HD1 PHE 15 HD1 PHE 15 -2.162 8.165 -3.213 115 HD2 PHE 15 HD2 PHE 15 -5.581 10.744 -2.964 116 HE1 PHE 15 HE1 PHE 15 -3.232 6.583 -1.639 117 HE2 PHE 15 HE2 PHE 15 -6.657 9.166 -1.381 118 HZ PHE 15 HZ PHE 15 -5.481 7.083 -0.717 119 H LEU 16 H LEU 16 -1.169 10.389 -6.015 120 HA LEU 16 HA LEU 16 -1.511 12.444 -8.168 121 HB2 LEU 16 HB3 LEU 16 0.171 12.429 -5.741 122 HB3 LEU 16 HB2 LEU 16 1.001 12.919 -7.218 123 HG LEU 16 HG LEU 16 -0.788 14.575 -7.662 124 HD11 LEU 16 HD11 LEU 16 -1.986 13.168 -5.353 125 HD12 LEU 16 HD12 LEU 16 -2.771 14.025 -6.680 126 HD13 LEU 16 HD13 LEU 16 -2.126 14.925 -5.307 127 HD21 LEU 16 HD21 LEU 16 0.652 15.914 -6.554 128 HD22 LEU 16 HD22 LEU 16 1.093 14.611 -5.451 129 HD23 LEU 16 HD23 LEU 16 -0.302 15.631 -5.099 130 HA PRO 17 HA PRO 17 0.896 8.928 -9.904 131 HB2 PRO 17 HB3 PRO 17 -0.571 8.639 -12.180 132 HB3 PRO 17 HB2 PRO 17 -1.011 7.876 -10.643 133 HG2 PRO 17 HG3 PRO 17 -2.197 10.206 -11.990 134 HG3 PRO 17 HG2 PRO 17 -2.934 9.031 -10.894 135 HD2 PRO 17 HD3 PRO 17 -2.087 11.642 -10.221 136 HD3 PRO 17 HD2 PRO 17 -2.557 10.360 -9.085 137 H ASP 18 H ASP 18 -0.014 12.063 -11.108 138 HA ASP 18 HA ASP 18 1.718 11.953 -13.459 139 HB2 ASP 18 HB3 ASP 18 1.148 14.319 -13.699 140 HB3 ASP 18 HB2 ASP 18 -0.312 13.392 -13.368 141 H VAL 19 H VAL 19 2.321 12.063 -10.231 142 HA VAL 19 HA VAL 19 4.796 13.709 -10.572 143 HB VAL 19 HB VAL 19 3.347 12.976 -8.005 144 HG11 VAL 19 HG11 VAL 19 5.963 14.135 -8.632 145 HG12 VAL 19 HG12 VAL 19 5.356 13.500 -7.103 146 HG13 VAL 19 HG13 VAL 19 5.001 15.163 -7.569 147 HG21 VAL 19 HG21 VAL 19 1.941 14.642 -8.637 148 HG22 VAL 19 HG22 VAL 19 3.007 15.157 -9.944 149 HG23 VAL 19 HG23 VAL 19 3.289 15.728 -8.299 150 H ALA 20 H ALA 20 6.778 12.697 -10.038 151 HA ALA 20 HA ALA 20 6.885 9.869 -10.247 152 HB1 ALA 20 HB1 ALA 20 9.217 10.658 -8.890 153 HB2 ALA 20 HB2 ALA 20 8.762 12.046 -9.880 154 HB3 ALA 20 HB3 ALA 20 9.023 10.472 -10.634 155 HA PRO 21 HA PRO 21 5.524 9.196 -5.975 156 HB2 PRO 21 HB3 PRO 21 5.787 6.439 -5.995 157 HB3 PRO 21 HB2 PRO 21 4.351 7.328 -6.540 158 HG2 PRO 21 HG3 PRO 21 6.494 6.050 -8.118 159 HG3 PRO 21 HG2 PRO 21 4.784 6.292 -8.506 160 HD2 PRO 21 HD3 PRO 21 6.841 7.785 -9.565 161 HD3 PRO 21 HD2 PRO 21 5.160 8.351 -9.449 162 H ALA 22 H ALA 22 8.498 8.031 -7.386 163 HA ALA 22 HA ALA 22 9.735 7.161 -4.921 164 HB1 ALA 22 HB1 ALA 22 11.507 8.198 -7.044 165 HB2 ALA 22 HB2 ALA 22 10.385 6.945 -7.573 166 HB3 ALA 22 HB3 ALA 22 11.506 6.624 -6.249 167 H ASP 23 H ASP 23 8.995 10.224 -6.227 168 HA ASP 23 HA ASP 23 11.177 11.658 -4.887 169 HB2 ASP 23 HB3 ASP 23 8.655 12.620 -6.275 170 HB3 ASP 23 HB2 ASP 23 9.894 13.689 -5.617 171 H VAL 24 H VAL 24 8.570 10.074 -3.758 172 HA VAL 24 HA VAL 24 7.892 12.116 -1.699 173 HB VAL 24 HB VAL 24 6.550 9.457 -2.276 174 HG11 VAL 24 HG11 VAL 24 5.998 10.063 -0.067 175 HG12 VAL 24 HG12 VAL 24 4.669 10.731 -1.015 176 HG13 VAL 24 HG13 VAL 24 5.968 11.784 -0.451 177 HG21 VAL 24 HG21 VAL 24 6.380 12.072 -3.579 178 HG22 VAL 24 HG22 VAL 24 4.820 11.516 -2.976 179 HG23 VAL 24 HG23 VAL 24 5.737 10.517 -4.105 180 H ASP 25 H ASP 25 8.466 11.760 0.439 181 HA ASP 25 HA ASP 25 10.525 9.840 1.000 182 HB2 ASP 25 HB3 ASP 25 8.771 11.479 2.854 183 HB3 ASP 25 HB2 ASP 25 10.162 10.532 3.386 184 H VAL 26 H VAL 26 9.646 7.778 0.425 185 HA VAL 26 HA VAL 26 7.174 6.748 1.427 186 HB VAL 26 HB VAL 26 8.030 4.559 0.796 187 HG11 VAL 26 HG11 VAL 26 9.386 6.250 -1.244 188 HG12 VAL 26 HG12 VAL 26 7.692 6.615 -0.917 189 HG13 VAL 26 HG13 VAL 26 8.160 5.001 -1.454 190 HG21 VAL 26 HG21 VAL 26 10.704 5.982 0.844 191 HG22 VAL 26 HG22 VAL 26 10.467 4.428 0.046 192 HG23 VAL 26 HG23 VAL 26 10.215 4.572 1.785 193 H ASP 27 H ASP 27 9.783 7.747 3.169 194 HA ASP 27 HA ASP 27 9.628 5.607 5.216 195 HB2 ASP 27 HB3 ASP 27 11.346 8.099 5.007 196 HB3 ASP 27 HB2 ASP 27 11.426 6.949 6.342 197 H LEU 28 H LEU 28 7.727 8.072 4.422 198 HA LEU 28 HA LEU 28 7.377 9.203 7.142 199 HB2 LEU 28 HB3 LEU 28 7.351 10.691 5.126 200 HB3 LEU 28 HB2 LEU 28 5.900 9.858 4.579 201 HG LEU 28 HG LEU 28 5.082 10.462 7.056 202 HD11 LEU 28 HD11 LEU 28 7.025 12.680 6.354 203 HD12 LEU 28 HD12 LEU 28 7.245 11.511 7.656 204 HD13 LEU 28 HD13 LEU 28 5.914 12.667 7.724 205 HD21 LEU 28 HD21 LEU 28 5.129 12.256 4.619 206 HD22 LEU 28 HD22 LEU 28 4.155 12.607 6.046 207 HD23 LEU 28 HD23 LEU 28 3.854 11.142 5.111 208 H ASP 29 H ASP 29 5.614 8.701 8.421 209 HA ASP 29 HA ASP 29 4.143 6.311 7.890 210 HB2 ASP 29 HB3 ASP 29 3.542 8.615 9.775 211 HB3 ASP 29 HB2 ASP 29 2.680 7.076 9.782 212 H LEU 30 H LEU 30 2.518 6.062 6.440 213 HA LEU 30 HA LEU 30 1.452 8.285 4.971 214 HB2 LEU 30 HB3 LEU 30 -0.126 6.585 4.028 215 HB3 LEU 30 HB2 LEU 30 1.562 6.077 3.953 216 HG LEU 30 HG LEU 30 0.303 5.332 6.476 217 HD11 LEU 30 HD11 LEU 30 -0.859 4.295 3.875 218 HD12 LEU 30 HD12 LEU 30 -1.726 5.125 5.168 219 HD13 LEU 30 HD13 LEU 30 -1.082 3.504 5.437 220 HD21 LEU 30 HD21 LEU 30 2.448 4.448 5.657 221 HD22 LEU 30 HD22 LEU 30 1.639 3.770 4.245 222 HD23 LEU 30 HD23 LEU 30 1.280 3.141 5.853 223 H VAL 31 H VAL 31 0.859 7.528 8.108 224 HA VAL 31 HA VAL 31 -1.934 7.474 8.425 225 HB VAL 31 HB VAL 31 -0.109 7.430 10.249 226 HG11 VAL 31 HG11 VAL 31 -0.570 10.419 10.212 227 HG12 VAL 31 HG12 VAL 31 0.825 9.670 9.433 228 HG13 VAL 31 HG13 VAL 31 0.598 9.513 11.175 229 HG21 VAL 31 HG21 VAL 31 -2.179 7.310 11.232 230 HG22 VAL 31 HG22 VAL 31 -2.799 8.695 10.331 231 HG23 VAL 31 HG23 VAL 31 -1.778 8.949 11.747 232 H ASP 32 H ASP 32 0.201 10.214 7.769 233 HA ASP 32 HA ASP 32 -1.742 12.287 7.975 234 HB2 ASP 32 HB3 ASP 32 0.647 12.016 6.116 235 HB3 ASP 32 HB2 ASP 32 -0.286 13.500 6.317 236 H ASN 33 H ASN 33 -0.969 9.972 5.453 237 HA ASN 33 HA ASN 33 -2.974 11.079 3.611 238 HB2 ASN 33 HB3 ASN 33 -1.297 8.571 3.415 239 HB3 ASN 33 HB2 ASN 33 -2.281 9.252 2.122 240 HD21 ASN 33 HD21 ASN 33 0.810 8.954 2.676 241 HD22 ASN 33 HD22 ASN 33 1.409 10.482 2.246 242 H GLY 34 H GLY 34 -3.575 9.859 6.341 243 HA2 GLY 34 HA3 GLY 34 -4.757 7.374 6.326 244 HA3 GLY 34 HA2 GLY 34 -5.482 8.744 7.168 245 H VAL 35 H VAL 35 -5.567 9.977 4.272 246 HA VAL 35 HA VAL 35 -8.318 9.644 3.786 247 HB VAL 35 HB VAL 35 -6.049 10.201 1.852 248 HG11 VAL 35 HG11 VAL 35 -7.897 11.087 0.373 249 HG12 VAL 35 HG12 VAL 35 -9.051 10.295 1.446 250 HG13 VAL 35 HG13 VAL 35 -7.881 9.333 0.543 251 HG21 VAL 35 HG21 VAL 35 -6.811 11.776 3.838 252 HG22 VAL 35 HG22 VAL 35 -8.139 12.162 2.744 253 HG23 VAL 35 HG23 VAL 35 -6.473 12.457 2.246 254 H ILE 36 H ILE 36 -5.583 7.675 2.757 255 HA ILE 36 HA ILE 36 -7.064 5.965 0.968 256 HB ILE 36 HB ILE 36 -4.494 6.285 1.189 257 HG12 ILE 36 HG13 ILE 36 -5.959 3.685 0.787 258 HG13 ILE 36 HG12 ILE 36 -5.178 4.715 -0.416 259 HG21 ILE 36 HG21 ILE 36 -4.684 5.652 3.693 260 HG22 ILE 36 HG22 ILE 36 -3.357 4.943 2.773 261 HG23 ILE 36 HG23 ILE 36 -4.799 3.987 3.122 262 HD11 ILE 36 HD11 ILE 36 -3.948 2.740 1.474 263 HD12 ILE 36 HD12 ILE 36 -2.998 4.136 0.967 264 HD13 ILE 36 HD13 ILE 36 -3.615 3.004 -0.237 265 H ASP 37 H ASP 37 -6.776 6.141 4.405 266 HA ASP 37 HA ASP 37 -7.148 3.467 5.184 267 HB2 ASP 37 HB3 ASP 37 -8.271 5.976 6.456 268 HB3 ASP 37 HB2 ASP 37 -8.219 4.395 7.230 269 H SER 38 H SER 38 -9.565 5.755 3.953 270 HA SER 38 HA SER 38 -11.593 3.570 4.222 271 HB2 SER 38 2HB SER 38 -11.698 6.442 4.773 272 HB3 SER 38 1HB SER 38 -13.029 5.877 3.768 273 H LEU 39 H LEU 39 -11.174 6.473 2.158 274 HA LEU 39 HA LEU 39 -12.671 5.373 0.000 275 HB2 LEU 39 HB3 LEU 39 -10.600 7.558 0.095 276 HB3 LEU 39 HB2 LEU 39 -11.476 7.149 -1.375 277 HG LEU 39 HG LEU 39 -13.601 7.418 0.123 278 HD11 LEU 39 HD11 LEU 39 -12.569 7.630 2.282 279 HD12 LEU 39 HD12 LEU 39 -13.206 9.218 1.864 280 HD13 LEU 39 HD13 LEU 39 -11.481 8.892 1.705 281 HD21 LEU 39 HD21 LEU 39 -11.938 9.826 -0.667 282 HD22 LEU 39 HD22 LEU 39 -13.687 9.801 -0.447 283 HD23 LEU 39 HD23 LEU 39 -12.952 8.889 -1.764 284 H GLY 40 H GLY 40 -9.141 5.661 0.389 285 HA2 GLY 40 HA3 GLY 40 -8.583 4.123 -1.991 286 HA3 GLY 40 HA2 GLY 40 -7.420 4.526 -0.734 287 H LEU 41 H LEU 41 -8.812 3.343 1.457 288 HA LEU 41 HA LEU 41 -7.853 0.683 1.353 289 HB2 LEU 41 HB3 LEU 41 -8.340 1.934 3.440 290 HB3 LEU 41 HB2 LEU 41 -10.063 1.801 3.104 291 HG LEU 41 HG LEU 41 -8.276 -0.633 3.259 292 HD11 LEU 41 HD11 LEU 41 -8.962 -0.872 5.603 293 HD12 LEU 41 HD12 LEU 41 -9.830 0.657 5.518 294 HD13 LEU 41 HD13 LEU 41 -8.072 0.631 5.371 295 HD21 LEU 41 HD21 LEU 41 -10.792 -1.273 4.208 296 HD22 LEU 41 HD22 LEU 41 -10.235 -1.553 2.561 297 HD23 LEU 41 HD23 LEU 41 -11.163 -0.106 2.942 298 H LEU 42 H LEU 42 -11.134 1.959 0.829 299 HA LEU 42 HA LEU 42 -12.413 -0.567 0.496 300 HB2 LEU 42 HB3 LEU 42 -13.593 1.649 0.706 301 HB3 LEU 42 HB2 LEU 42 -13.098 2.013 -0.940 302 HG LEU 42 HG LEU 42 -14.202 -0.277 -1.530 303 HD11 LEU 42 HD11 LEU 42 -14.562 -0.339 1.200 304 HD12 LEU 42 HD12 LEU 42 -15.479 -1.296 0.039 305 HD13 LEU 42 HD13 LEU 42 -16.125 0.235 0.629 306 HD21 LEU 42 HD21 LEU 42 -16.487 0.923 -1.560 307 HD22 LEU 42 HD22 LEU 42 -15.158 1.711 -2.412 308 HD23 LEU 42 HD23 LEU 42 -15.644 2.281 -0.814 309 H LYS 43 H LYS 43 -10.824 1.579 -1.865 310 HA LYS 43 HA LYS 43 -11.320 -0.144 -4.121 311 HB2 LYS 43 HB3 LYS 43 -9.246 2.006 -3.667 312 HB3 LYS 43 HB2 LYS 43 -9.561 1.240 -5.219 313 HG2 LYS 43 HG3 LYS 43 -11.939 1.986 -5.060 314 HG3 LYS 43 HG2 LYS 43 -11.532 2.852 -3.577 315 HD2 LYS 43 HD3 LYS 43 -9.811 4.140 -4.855 316 HD3 LYS 43 HD2 LYS 43 -10.359 3.343 -6.330 317 HE2 LYS 43 HE3 LYS 43 -11.402 5.593 -5.989 318 HE3 LYS 43 HE2 LYS 43 -12.585 4.288 -6.072 319 HZ1 LYS 43 HZ1 LYS 43 -12.905 4.330 -3.780 320 HZ2 LYS 43 HZ2 LYS 43 -12.821 5.974 -4.202 321 HZ3 LYS 43 HZ3 LYS 43 -11.483 5.207 -3.489 322 H VAL 44 H VAL 44 -8.601 0.225 -1.866 323 HA VAL 44 HA VAL 44 -6.832 -1.583 -3.214 324 HB VAL 44 HB VAL 44 -6.995 -0.758 -0.304 325 HG11 VAL 44 HG11 VAL 44 -5.789 -2.846 -0.422 326 HG12 VAL 44 HG12 VAL 44 -4.599 -1.555 -0.263 327 HG13 VAL 44 HG13 VAL 44 -4.885 -2.303 -1.834 328 HG21 VAL 44 HG21 VAL 44 -5.815 1.080 -0.912 329 HG22 VAL 44 HG22 VAL 44 -6.315 0.704 -2.561 330 HG23 VAL 44 HG23 VAL 44 -4.752 0.144 -1.966 331 H ILE 45 H ILE 45 -9.134 -2.102 -0.534 332 HA ILE 45 HA ILE 45 -8.523 -4.837 -0.091 333 HB ILE 45 HB ILE 45 -10.795 -3.021 0.494 334 HG12 ILE 45 HG13 ILE 45 -10.425 -3.823 2.735 335 HG13 ILE 45 HG12 ILE 45 -9.479 -5.189 2.149 336 HG21 ILE 45 HG21 ILE 45 -12.110 -5.034 1.357 337 HG22 ILE 45 HG22 ILE 45 -11.082 -6.027 0.326 338 HG23 ILE 45 HG23 ILE 45 -12.123 -4.794 -0.389 339 HD11 ILE 45 HD11 ILE 45 -8.536 -2.489 1.341 340 HD12 ILE 45 HD12 ILE 45 -7.607 -3.916 1.791 341 HD13 ILE 45 HD13 ILE 45 -8.341 -2.913 3.039 342 H ALA 46 H ALA 46 -11.035 -3.385 -2.183 343 HA ALA 46 HA ALA 46 -11.924 -5.890 -3.263 344 HB1 ALA 46 HB1 ALA 46 -12.996 -3.490 -3.374 345 HB2 ALA 46 HB2 ALA 46 -13.248 -4.618 -4.706 346 HB3 ALA 46 HB3 ALA 46 -12.040 -3.341 -4.849 347 H TRP 47 H TRP 47 -9.325 -3.678 -4.141 348 HA TRP 47 HA TRP 47 -8.781 -4.938 -6.698 349 HB2 TRP 47 HB3 TRP 47 -8.005 -2.710 -6.496 350 HB3 TRP 47 HB2 TRP 47 -7.254 -3.026 -4.932 351 HD1 TRP 47 HD1 TRP 47 -6.880 -4.153 -8.614 352 HE1 TRP 47 HE1 TRP 47 -4.386 -4.647 -9.048 353 HE3 TRP 47 HE3 TRP 47 -4.996 -3.366 -3.934 354 HZ2 TRP 47 HZ2 TRP 47 -1.918 -4.695 -7.602 355 HZ3 TRP 47 HZ3 TRP 47 -2.573 -3.642 -3.491 356 HH2 TRP 47 HH2 TRP 47 -1.033 -4.306 -5.318 357 H LEU 48 H LEU 48 -7.279 -5.137 -3.465 358 HA LEU 48 HA LEU 48 -5.191 -6.907 -4.143 359 HB2 LEU 48 HB3 LEU 48 -5.523 -5.733 -1.929 360 HB3 LEU 48 HB2 LEU 48 -6.743 -6.937 -1.546 361 HG LEU 48 HG LEU 48 -4.857 -8.642 -2.184 362 HD11 LEU 48 HD11 LEU 48 -2.710 -7.869 -2.258 363 HD12 LEU 48 HD12 LEU 48 -3.017 -6.621 -1.051 364 HD13 LEU 48 HD13 LEU 48 -3.496 -6.362 -2.727 365 HD21 LEU 48 HD21 LEU 48 -3.913 -8.043 0.296 366 HD22 LEU 48 HD22 LEU 48 -5.442 -8.878 0.017 367 HD23 LEU 48 HD23 LEU 48 -5.428 -7.139 0.307 368 H GLU 49 H GLU 49 -8.522 -7.666 -3.094 369 HA GLU 49 HA GLU 49 -8.113 -10.522 -3.265 370 HB2 GLU 49 HB3 GLU 49 -10.328 -10.698 -2.618 371 HB3 GLU 49 HB2 GLU 49 -9.989 -9.069 -2.060 372 HG2 GLU 49 HG3 GLU 49 -10.823 -8.246 -4.300 373 HG3 GLU 49 HG2 GLU 49 -11.380 -9.887 -4.605 374 H ASP 50 H ASP 50 -9.290 -8.035 -5.471 375 HA ASP 50 HA ASP 50 -10.238 -9.785 -7.523 376 HB2 ASP 50 HB3 ASP 50 -10.719 -7.336 -7.366 377 HB3 ASP 50 HB2 ASP 50 -9.055 -7.029 -7.855 378 H ARG 51 H ARG 51 -7.050 -8.316 -6.969 379 HA ARG 51 HA ARG 51 -5.962 -9.544 -9.397 380 HB2 ARG 51 HB3 ARG 51 -5.196 -7.323 -8.552 381 HB3 ARG 51 HB2 ARG 51 -4.505 -8.133 -7.147 382 HG2 ARG 51 HG3 ARG 51 -3.073 -9.489 -8.631 383 HG3 ARG 51 HG2 ARG 51 -3.758 -8.674 -10.037 384 HD2 ARG 51 HD3 ARG 51 -2.945 -6.499 -9.122 385 HD3 ARG 51 HD2 ARG 51 -2.173 -7.375 -7.799 386 HE ARG 51 HE ARG 51 -1.071 -8.620 -9.937 387 HH11 ARG 51 HH11 ARG 51 0.690 -7.885 -11.145 388 HH12 ARG 51 HH12 ARG 51 1.009 -6.184 -11.241 389 HH21 ARG 51 HH21 ARG 51 -1.678 -5.295 -9.240 390 HH22 ARG 51 HH22 ARG 51 -0.330 -4.721 -10.164 391 H PHE 52 H PHE 52 -5.328 -9.941 -5.884 392 HA PHE 52 HA PHE 52 -3.671 -12.283 -6.389 393 HB2 PHE 52 HB3 PHE 52 -4.748 -11.035 -3.852 394 HB3 PHE 52 HB2 PHE 52 -3.687 -12.441 -3.875 395 HD1 PHE 52 HD1 PHE 52 -3.902 -8.830 -4.252 396 HD2 PHE 52 HD2 PHE 52 -1.391 -12.260 -4.874 397 HE1 PHE 52 HE1 PHE 52 -1.931 -7.344 -4.496 398 HE2 PHE 52 HE2 PHE 52 0.579 -10.773 -5.117 399 HZ PHE 52 HZ PHE 52 0.309 -8.316 -4.928 400 H GLY 53 H GLY 53 -7.059 -11.734 -5.697 401 HA2 GLY 53 HA3 GLY 53 -8.812 -13.330 -5.790 402 HA3 GLY 53 HA2 GLY 53 -7.607 -14.565 -6.152 403 H ILE 54 H ILE 54 -7.370 -12.435 -3.367 404 HA ILE 54 HA ILE 54 -7.712 -14.834 -1.615 405 HB ILE 54 HB ILE 54 -6.304 -12.215 -1.021 406 HG12 ILE 54 HG13 ILE 54 -5.024 -14.897 -1.587 407 HG13 ILE 54 HG12 ILE 54 -5.301 -13.705 -2.859 408 HG21 ILE 54 HG21 ILE 54 -5.271 -13.785 0.772 409 HG22 ILE 54 HG22 ILE 54 -6.661 -14.822 0.448 410 HG23 ILE 54 HG23 ILE 54 -6.905 -13.180 1.041 411 HD11 ILE 54 HD11 ILE 54 -3.705 -13.245 -0.322 412 HD12 ILE 54 HD12 ILE 54 -4.006 -12.038 -1.573 413 HD13 ILE 54 HD13 ILE 54 -3.033 -13.464 -1.938 414 H ALA 55 H ALA 55 -9.332 -14.802 -0.092 415 HA ALA 55 HA ALA 55 -11.399 -12.827 -0.213 416 HB1 ALA 55 HB1 ALA 55 -12.513 -14.261 1.146 417 HB2 ALA 55 HB2 ALA 55 -11.211 -14.274 2.336 418 HB3 ALA 55 HB3 ALA 55 -11.129 -15.332 0.927 419 H ALA 56 H ALA 56 -11.820 -11.047 1.127 420 HA ALA 56 HA ALA 56 -9.578 -9.689 2.263 421 HB1 ALA 56 HB1 ALA 56 -12.498 -9.254 2.097 422 HB2 ALA 56 HB2 ALA 56 -11.174 -8.119 1.834 423 HB3 ALA 56 HB3 ALA 56 -11.708 -8.485 3.474 424 H ASP 57 H ASP 57 -11.983 -11.857 3.639 425 HA ASP 57 HA ASP 57 -11.601 -11.326 6.389 426 HB2 ASP 57 HB3 ASP 57 -12.202 -13.925 4.970 427 HB3 ASP 57 HB2 ASP 57 -12.290 -13.721 6.718 428 H ASP 58 H ASP 58 -9.677 -13.258 4.143 429 HA ASP 58 HA ASP 58 -8.017 -14.621 5.956 430 HB2 ASP 58 HB3 ASP 58 -7.368 -13.419 3.264 431 HB3 ASP 58 HB2 ASP 58 -6.280 -14.497 4.135 432 H VAL 59 H VAL 59 -7.919 -11.248 4.929 433 HA VAL 59 HA VAL 59 -5.462 -10.821 6.538 434 HB VAL 59 HB VAL 59 -6.987 -8.883 4.790 435 HG11 VAL 59 HG11 VAL 59 -4.703 -8.654 6.608 436 HG12 VAL 59 HG12 VAL 59 -5.684 -7.384 5.876 437 HG13 VAL 59 HG13 VAL 59 -4.339 -8.088 4.978 438 HG21 VAL 59 HG21 VAL 59 -4.948 -9.280 3.279 439 HG22 VAL 59 HG22 VAL 59 -6.141 -10.578 3.346 440 HG23 VAL 59 HG23 VAL 59 -4.640 -10.711 4.262 441 H GLU 60 H GLU 60 -5.489 -9.698 8.459 442 HA GLU 60 HA GLU 60 -8.081 -9.260 9.729 443 HB2 GLU 60 HB3 GLU 60 -6.080 -10.101 10.973 444 HB3 GLU 60 HB2 GLU 60 -5.316 -8.534 10.736 445 HG2 GLU 60 HG3 GLU 60 -7.230 -7.462 11.893 446 HG3 GLU 60 HG2 GLU 60 -7.906 -9.057 12.199 447 H LEU 61 H LEU 61 -9.018 -7.268 10.222 448 HA LEU 61 HA LEU 61 -7.981 -4.972 8.670 449 HB2 LEU 61 HB3 LEU 61 -10.581 -5.228 10.207 450 HB3 LEU 61 HB2 LEU 61 -10.181 -4.004 9.008 451 HG LEU 61 HG LEU 61 -10.515 -6.966 8.528 452 HD11 LEU 61 HD11 LEU 61 -12.400 -4.960 8.621 453 HD12 LEU 61 HD12 LEU 61 -12.572 -6.466 7.719 454 HD13 LEU 61 HD13 LEU 61 -11.993 -5.013 6.906 455 HD21 LEU 61 HD21 LEU 61 -10.212 -6.089 6.069 456 HD22 LEU 61 HD22 LEU 61 -8.786 -6.422 7.051 457 HD23 LEU 61 HD23 LEU 61 -9.349 -4.764 6.850 458 H SER 62 H SER 62 -7.195 -3.114 9.651 459 HA SER 62 HA SER 62 -7.793 -2.270 12.291 460 HB2 SER 62 HB3 SER 62 -6.507 -3.578 13.596 461 HB3 SER 62 HB2 SER 62 -5.929 -4.448 12.178 462 HG SER 62 HG SER 62 -4.363 -2.806 11.916 463 HA PRO 63 HA PRO 63 -5.774 1.281 10.549 464 HB2 PRO 63 HB3 PRO 63 -5.087 2.602 12.886 465 HB3 PRO 63 HB2 PRO 63 -6.691 2.649 12.133 466 HG2 PRO 63 HG3 PRO 63 -5.725 1.051 14.439 467 HG3 PRO 63 HG2 PRO 63 -7.309 1.794 14.157 468 HD2 PRO 63 HD3 PRO 63 -6.866 -0.875 13.839 469 HD3 PRO 63 HD2 PRO 63 -8.067 0.018 12.880 470 H GLU 64 H GLU 64 -4.119 -0.635 12.977 471 HA GLU 64 HA GLU 64 -1.551 0.552 12.892 472 HB2 GLU 64 HB3 GLU 64 -2.255 -1.255 14.470 473 HB3 GLU 64 HB2 GLU 64 -2.159 -2.396 13.137 474 HG2 GLU 64 HG3 GLU 64 0.221 -1.774 12.815 475 HG3 GLU 64 HG2 GLU 64 0.108 -0.731 14.227 476 H HIS 65 H HIS 65 -3.194 -1.492 10.586 477 HA HIS 65 HA HIS 65 -0.884 -2.324 9.095 478 HB2 HIS 65 HB3 HIS 65 -3.116 -3.390 8.884 479 HB3 HIS 65 HB2 HIS 65 -3.734 -1.916 8.139 480 HD1 HIS 65 HD1 HIS 65 -0.990 -4.501 7.547 481 HD2 HIS 65 HD2 HIS 65 -3.363 -1.828 5.397 482 HE1 HIS 65 HE1 HIS 65 -0.496 -4.913 5.094 483 HE2 HIS 65 HE2 HIS 65 -1.930 -3.288 3.779 484 H PHE 66 H PHE 66 -2.755 0.639 9.143 485 HA PHE 66 HA PHE 66 -1.339 1.589 6.702 486 HB2 PHE 66 HB3 PHE 66 -3.643 2.784 8.267 487 HB3 PHE 66 HB2 PHE 66 -2.929 3.503 6.822 488 HD1 PHE 66 HD1 PHE 66 -5.080 0.854 8.131 489 HD2 PHE 66 HD2 PHE 66 -3.093 2.352 4.629 490 HE1 PHE 66 HE1 PHE 66 -6.499 -0.596 6.705 491 HE2 PHE 66 HE2 PHE 66 -4.513 0.904 3.204 492 HZ PHE 66 HZ PHE 66 -6.214 -0.569 4.244 493 H ARG 67 H ARG 67 -0.656 1.504 9.904 494 HA ARG 67 HA ARG 67 -0.072 4.192 10.587 495 HB2 ARG 67 HB3 ARG 67 0.014 2.351 12.222 496 HB3 ARG 67 HB2 ARG 67 1.416 1.677 11.402 497 HG2 ARG 67 HG3 ARG 67 2.230 2.919 13.293 498 HG3 ARG 67 HG2 ARG 67 2.609 3.862 11.859 499 HD2 ARG 67 HD3 ARG 67 0.779 5.369 12.256 500 HD3 ARG 67 HD2 ARG 67 0.114 4.322 13.511 501 HE ARG 67 HE ARG 67 2.387 6.163 13.807 502 HH11 ARG 67 HH11 ARG 67 3.145 6.373 15.926 503 HH12 ARG 67 HH12 ARG 67 2.620 5.250 17.135 504 HH21 ARG 67 HH21 ARG 67 0.611 3.443 14.962 505 HH22 ARG 67 HH22 ARG 67 1.184 3.591 16.590 506 H SER 68 H SER 68 1.894 1.804 8.810 507 HA SER 68 HA SER 68 3.441 4.055 7.678 508 HB2 SER 68 HB3 SER 68 5.593 3.154 8.301 509 HB3 SER 68 HB2 SER 68 4.635 3.314 9.770 510 HG SER 68 HG SER 68 5.228 1.279 9.954 511 H ILE 69 H ILE 69 4.609 3.433 5.737 512 HA ILE 69 HA ILE 69 3.267 1.477 4.139 513 HB ILE 69 HB ILE 69 5.963 2.801 3.725 514 HG12 ILE 69 HG13 ILE 69 3.246 3.553 2.640 515 HG13 ILE 69 HG12 ILE 69 4.013 4.348 4.006 516 HG21 ILE 69 HG21 ILE 69 4.545 0.780 2.270 517 HG22 ILE 69 HG22 ILE 69 6.100 1.522 1.894 518 HG23 ILE 69 HG23 ILE 69 4.607 2.258 1.312 519 HD11 ILE 69 HD11 ILE 69 5.258 4.124 1.256 520 HD12 ILE 69 HD12 ILE 69 5.885 5.044 2.625 521 HD13 ILE 69 HD13 ILE 69 4.389 5.545 1.836 522 H ARG 70 H ARG 70 6.310 1.423 5.961 523 HA ARG 70 HA ARG 70 7.325 -1.034 4.951 524 HB2 ARG 70 HB3 ARG 70 8.614 0.561 6.371 525 HB3 ARG 70 HB2 ARG 70 7.638 0.072 7.757 526 HG2 ARG 70 HG3 ARG 70 8.405 -2.248 7.504 527 HG3 ARG 70 HG2 ARG 70 9.356 -1.791 6.090 528 HD2 ARG 70 HD3 ARG 70 10.854 -1.840 7.980 529 HD3 ARG 70 HD2 ARG 70 10.590 -0.148 7.559 530 HE ARG 70 HE ARG 70 8.649 -0.802 9.496 531 HH11 ARG 70 HH11 ARG 70 9.013 -0.315 11.673 532 HH12 ARG 70 HH12 ARG 70 10.636 -0.095 12.237 533 HH21 ARG 70 HH21 ARG 70 12.075 -0.670 9.136 534 HH22 ARG 70 HH22 ARG 70 12.369 -0.297 10.802 535 H SER 71 H SER 71 5.077 -0.394 7.645 536 HA SER 71 HA SER 71 4.950 -3.048 8.643 537 HB2 SER 71 HB3 SER 71 2.693 -1.029 8.529 538 HB3 SER 71 HB2 SER 71 2.833 -2.385 9.639 539 HG SER 71 HG SER 71 4.222 -1.291 10.796 540 H ILE 72 H ILE 72 3.101 -1.462 6.041 541 HA ILE 72 HA ILE 72 1.390 -3.700 5.516 542 HB ILE 72 HB ILE 72 2.286 -1.453 3.689 543 HG12 ILE 72 HG13 ILE 72 -0.229 -1.737 5.362 544 HG13 ILE 72 HG12 ILE 72 1.164 -0.760 5.830 545 HG21 ILE 72 HG21 ILE 72 0.574 -3.783 3.322 546 HG22 ILE 72 HG22 ILE 72 1.196 -2.650 2.123 547 HG23 ILE 72 HG23 ILE 72 -0.281 -2.272 3.010 548 HD11 ILE 72 HD11 ILE 72 0.910 0.642 3.865 549 HD12 ILE 72 HD12 ILE 72 -0.643 0.564 4.698 550 HD13 ILE 72 HD13 ILE 72 -0.373 -0.396 3.244 551 H ASP 73 H ASP 73 4.524 -2.682 4.187 552 HA ASP 73 HA ASP 73 4.690 -4.583 2.088 553 HB2 ASP 73 HB3 ASP 73 6.267 -2.651 2.495 554 HB3 ASP 73 HB2 ASP 73 7.012 -3.613 3.771 555 H ALA 74 H ALA 74 5.589 -4.881 5.525 556 HA ALA 74 HA ALA 74 6.770 -7.474 5.296 557 HB1 ALA 74 HB1 ALA 74 7.229 -6.908 7.432 558 HB2 ALA 74 HB2 ALA 74 5.568 -7.349 7.831 559 HB3 ALA 74 HB3 ALA 74 5.964 -5.678 7.430 560 H PHE 75 H PHE 75 3.432 -6.453 5.967 561 HA PHE 75 HA PHE 75 2.386 -9.085 6.366 562 HB2 PHE 75 HB3 PHE 75 1.185 -6.968 6.948 563 HB3 PHE 75 HB2 PHE 75 0.939 -6.690 5.226 564 HD1 PHE 75 HD1 PHE 75 -0.672 -7.956 3.958 565 HD2 PHE 75 HD2 PHE 75 0.139 -8.929 8.062 566 HE1 PHE 75 HE1 PHE 75 -2.652 -9.449 3.995 567 HE2 PHE 75 HE2 PHE 75 -1.840 -10.422 8.099 568 HZ PHE 75 HZ PHE 75 -3.235 -10.682 6.067 569 H VAL 76 H VAL 76 2.615 -7.045 3.449 570 HA VAL 76 HA VAL 76 1.354 -8.894 1.684 571 HB VAL 76 HB VAL 76 3.388 -6.701 1.214 572 HG11 VAL 76 HG11 VAL 76 2.580 -6.897 -1.181 573 HG12 VAL 76 HG12 VAL 76 1.859 -8.441 -0.727 574 HG13 VAL 76 HG13 VAL 76 3.605 -8.219 -0.625 575 HG21 VAL 76 HG21 VAL 76 1.600 -5.317 1.196 576 HG22 VAL 76 HG22 VAL 76 0.661 -6.653 1.861 577 HG23 VAL 76 HG23 VAL 76 0.708 -6.390 0.118 578 H VAL 77 H VAL 77 4.810 -8.383 2.482 579 HA VAL 77 HA VAL 77 5.839 -10.343 0.699 580 HB VAL 77 HB VAL 77 6.841 -9.229 3.326 581 HG11 VAL 77 HG11 VAL 77 7.818 -11.399 3.219 582 HG12 VAL 77 HG12 VAL 77 9.040 -10.295 2.591 583 HG13 VAL 77 HG13 VAL 77 8.081 -11.273 1.481 584 HG21 VAL 77 HG21 VAL 77 6.912 -7.631 1.532 585 HG22 VAL 77 HG22 VAL 77 7.529 -8.834 0.400 586 HG23 VAL 77 HG23 VAL 77 8.554 -8.247 1.710 587 H GLY 78 H GLY 78 4.663 -10.596 4.038 588 HA2 GLY 78 HA3 GLY 78 5.419 -13.277 4.537 589 HA3 GLY 78 HA2 GLY 78 4.034 -12.480 5.281 590 H ALA 79 H ALA 79 2.700 -11.978 2.688 591 HA ALA 79 HA ALA 79 1.683 -14.742 2.293 592 HB1 ALA 79 HB1 ALA 79 -0.297 -13.635 1.296 593 HB2 ALA 79 HB2 ALA 79 0.471 -12.068 1.553 594 HB3 ALA 79 HB3 ALA 79 0.016 -13.065 2.935 595 H THR 80 H THR 80 2.530 -11.866 0.342 596 HA THR 80 HA THR 80 3.508 -13.701 -1.768 597 HB THR 80 HB THR 80 1.065 -13.117 -2.201 598 HG1 THR 80 HG1 THR 80 2.967 -13.474 -3.785 599 HG21 THR 80 HG21 THR 80 1.832 -10.591 -1.500 600 HG22 THR 80 HG22 THR 80 0.388 -10.962 -2.443 601 HG23 THR 80 HG23 THR 80 1.878 -10.487 -3.260 602 H THR 81 H THR 81 4.935 -12.622 -3.293 603 HA THR 81 HA THR 81 5.820 -9.904 -2.447 604 HB THR 81 HB THR 81 7.461 -11.289 -1.460 605 HG1 THR 81 HG1 THR 81 8.537 -10.884 -4.036 606 HG21 THR 81 HG21 THR 81 7.107 -13.453 -2.186 607 HG22 THR 81 HG22 THR 81 8.560 -13.063 -3.108 608 HG23 THR 81 HG23 THR 81 6.977 -12.976 -3.880 609 HA PRO 82 HA PRO 82 5.050 -10.034 -7.000 610 HB2 PRO 82 HB3 PRO 82 4.508 -7.176 -6.699 611 HB3 PRO 82 HB2 PRO 82 3.442 -8.460 -7.290 612 HG2 PRO 82 HG3 PRO 82 3.112 -7.184 -4.910 613 HG3 PRO 82 HG2 PRO 82 2.537 -8.824 -5.249 614 HD2 PRO 82 HD3 PRO 82 4.901 -7.950 -3.649 615 HD3 PRO 82 HD2 PRO 82 3.860 -9.377 -3.447 616 HA PRO 83 HA PRO 83 8.932 -8.431 -8.363 617 HB2 PRO 83 HB3 PRO 83 8.210 -7.317 -10.804 618 HB3 PRO 83 HB2 PRO 83 8.529 -9.039 -10.528 619 HG2 PRO 83 HG3 PRO 83 5.941 -7.601 -10.723 620 HG3 PRO 83 HG2 PRO 83 6.377 -9.229 -11.268 621 HD2 PRO 83 HD3 PRO 83 4.918 -8.793 -9.011 622 HD3 PRO 83 HD2 PRO 83 6.028 -10.172 -9.180 623 H VAL 84 H VAL 84 10.140 -6.472 -8.505 624 HA VAL 84 HA VAL 84 8.558 -3.952 -8.173 625 HB VAL 84 HB VAL 84 9.524 -4.740 -6.007 626 HG11 VAL 84 HG11 VAL 84 11.802 -5.114 -5.712 627 HG12 VAL 84 HG12 VAL 84 12.249 -4.103 -7.086 628 HG13 VAL 84 HG13 VAL 84 11.577 -5.712 -7.356 629 HG21 VAL 84 HG21 VAL 84 10.905 -2.273 -7.106 630 HG22 VAL 84 HG22 VAL 84 10.540 -2.611 -5.414 631 HG23 VAL 84 HG23 VAL 84 9.230 -2.307 -6.556 632 H GLU 85 H GLU 85 9.356 -2.180 -9.304 633 HA GLU 85 HA GLU 85 12.034 -1.997 -10.339 634 HB2 GLU 85 HB3 GLU 85 11.047 -3.854 -11.775 635 HB3 GLU 85 HB2 GLU 85 9.926 -2.654 -12.416 636 HG2 GLU 85 HG3 GLU 85 11.857 -1.275 -13.157 637 HG3 GLU 85 HG2 GLU 85 12.952 -2.523 -12.566 638 H ALA 86 H ALA 86 8.926 -0.835 -9.765 639 HA ALA 86 HA ALA 86 8.695 1.349 -11.563 640 HB1 ALA 86 HB1 ALA 86 7.863 1.602 -8.684 641 HB2 ALA 86 HB2 ALA 86 7.043 0.448 -9.737 642 HB3 ALA 86 HB3 ALA 86 7.032 2.167 -10.134 643 H LYS 87 H LYS 87 10.451 1.075 -8.482 644 HA LYS 87 HA LYS 87 11.551 3.811 -8.956 645 HB2 LYS 87 HB3 LYS 87 11.475 2.110 -6.449 646 HB3 LYS 87 HB2 LYS 87 12.282 3.675 -6.564 647 HG2 LYS 87 HG3 LYS 87 10.094 4.682 -7.273 648 HG3 LYS 87 HG2 LYS 87 9.327 3.124 -6.958 649 HD2 LYS 87 HD3 LYS 87 10.186 3.241 -4.603 650 HD3 LYS 87 HD2 LYS 87 10.784 4.865 -4.946 651 HE2 LYS 87 HE3 LYS 87 7.933 3.898 -4.815 652 HE3 LYS 87 HE2 LYS 87 8.672 5.270 -3.989 653 HZ1 LYS 87 HZ1 LYS 87 7.527 6.279 -5.689 654 HZ2 LYS 87 HZ2 LYS 87 7.829 5.029 -6.798 655 HZ3 LYS 87 HZ3 LYS 87 9.067 6.116 -6.382 656 H LEU 88 H LEU 88 13.813 4.106 -9.004 657 HA LEU 88 HA LEU 88 15.365 2.022 -10.153 658 HB2 LEU 88 HB3 LEU 88 16.364 4.456 -8.643 659 HB3 LEU 88 HB2 LEU 88 17.290 3.497 -9.798 660 HG LEU 88 HG LEU 88 14.783 5.096 -10.404 661 HD11 LEU 88 HD11 LEU 88 17.081 6.256 -10.064 662 HD12 LEU 88 HD12 LEU 88 16.189 6.611 -11.543 663 HD13 LEU 88 HD13 LEU 88 17.537 5.473 -11.576 664 HD21 LEU 88 HD21 LEU 88 15.685 4.433 -12.816 665 HD22 LEU 88 HD22 LEU 88 14.620 3.347 -11.923 666 HD23 LEU 88 HD23 LEU 88 16.360 3.060 -11.938 667 H GLN 89 H GLN 89 14.999 3.045 -6.780 668 HA GLN 89 HA GLN 89 15.891 2.112 -4.807 669 HB2 GLN 89 HB3 GLN 89 15.492 -0.410 -6.449 670 HB3 GLN 89 HB2 GLN 89 15.657 -0.340 -4.694 671 HG2 GLN 89 HG3 GLN 89 13.468 1.006 -6.302 672 HG3 GLN 89 HG2 GLN 89 13.280 -0.474 -5.361 673 HE21 GLN 89 HE21 GLN 89 12.494 2.673 -5.126 674 HE22 GLN 89 HE22 GLN 89 12.683 2.926 -3.458 675 H3 7V9 101 1H1 NIA 101 -12.075 4.608 9.885 676 H4 7V9 101 2H1 NIA 101 -10.727 5.144 8.884 677 H5 7V9 101 1HE1 NIA 101 -10.122 3.602 11.438 678 H6 7V9 101 2HE1 NIA 101 -9.047 4.265 10.208 679 H7 7V9 101 3HE1 NIA 101 -8.948 2.559 10.637 680 H8 7V9 101 2HE2 NIA 101 -10.145 3.175 7.339 681 H9 7V9 101 3HE2 NIA 101 -10.276 1.533 7.964 682 H10 7V9 101 1HE2 NIA 101 -8.867 2.516 8.357 683 H11 7V9 101 3H NIA 101 -12.217 1.627 9.138 684 H12 7V9 101 3HO NIA 101 -12.168 2.316 11.798 685 H13 7V9 101 5H NIA 101 -8.980 0.953 9.917 686 H14 7V9 101 1H6 NIA 101 -9.716 -1.666 10.351 687 H15 7V9 101 2H6 NIA 101 -10.662 -1.215 8.933 688 H16 7V9 101 1H7 NIA 101 -7.690 -1.483 9.224 689 H17 7V9 101 2H7 NIA 101 -8.326 -0.320 8.060 690 H18 7V9 101 9H NIA 101 -6.969 -3.083 7.524 691 H19 7V9 101 1H10 NIA 101 -8.876 -3.212 5.238 692 H20 7V9 101 2H10 NIA 101 -7.346 -2.366 5.025 693 H21 7V9 101 1H11 NIA 101 -7.772 -5.081 4.596 694 H22 7V9 101 2H11 NIA 101 -6.984 -5.029 6.173 695 H25 7V9 101 5H1 NIA 101 -3.085 -5.200 3.837 696 H26 7V9 101 7H1 NIA 101 -1.761 -4.193 -0.014 697 H27 7V9 101 8H1 NIA 101 -4.080 -4.296 -0.885 698 H28 7V9 101 9H1 NIA 101 -5.924 -4.939 0.643 Start of MODEL 16 1 H1 MET 1 H1 MET 1 11.408 -4.664 2.880 2 H2 MET 1 H2 MET 1 12.480 -3.358 3.065 3 H3 MET 1 H3 MET 1 12.853 -4.622 1.993 4 HA MET 1 HA MET 1 10.372 -3.109 1.585 5 HB2 MET 1 HB3 MET 1 13.162 -2.205 0.815 6 HB3 MET 1 HB2 MET 1 11.676 -1.522 0.152 7 HG2 MET 1 HG3 MET 1 10.954 -0.970 2.485 8 HG3 MET 1 HG2 MET 1 12.527 -1.518 3.060 9 HE1 MET 1 HE1 MET 1 12.318 0.489 4.200 10 HE2 MET 1 HE2 MET 1 11.688 1.962 3.468 11 HE3 MET 1 HE3 MET 1 13.420 1.796 3.743 12 H GLN 2 H GLN 2 10.929 -5.813 1.056 13 HA GLN 2 HA GLN 2 12.081 -6.336 -1.492 14 HB2 GLN 2 HB3 GLN 2 9.795 -7.751 -0.083 15 HB3 GLN 2 HB2 GLN 2 10.678 -8.395 -1.468 16 HG2 GLN 2 HG3 GLN 2 12.772 -8.333 -0.179 17 HG3 GLN 2 HG2 GLN 2 11.909 -7.660 1.203 18 HE21 GLN 2 HE21 GLN 2 13.271 -10.146 1.450 19 HE22 GLN 2 HE22 GLN 2 12.122 -11.382 1.632 20 H HIS 3 H HIS 3 8.803 -5.349 -0.568 21 HA HIS 3 HA HIS 3 8.304 -4.685 -3.432 22 HB2 HIS 3 HB3 HIS 3 6.261 -5.974 -1.601 23 HB3 HIS 3 HB2 HIS 3 6.058 -5.591 -3.310 24 HD1 HIS 3 HD1 HIS 3 7.658 -8.054 -0.993 25 HD2 HIS 3 HD2 HIS 3 7.465 -7.343 -5.099 26 HE1 HIS 3 HE1 HIS 3 8.595 -10.119 -2.125 27 HE2 HIS 3 HE2 HIS 3 8.481 -9.697 -4.623 28 H ALA 4 H ALA 4 8.789 -3.396 -0.572 29 HA ALA 4 HA ALA 4 6.486 -1.867 0.078 30 HB1 ALA 4 HB1 ALA 4 8.381 -1.976 1.596 31 HB2 ALA 4 HB2 ALA 4 8.112 -0.291 1.150 32 HB3 ALA 4 HB3 ALA 4 9.425 -1.202 0.405 33 H SER 5 H SER 5 8.995 -1.347 -2.358 34 HA SER 5 HA SER 5 8.375 1.367 -2.967 35 HB2 SER 5 HB3 SER 5 9.520 0.987 -5.070 36 HB3 SER 5 HB2 SER 5 10.375 0.099 -3.813 37 HG SER 5 HG SER 5 9.599 -0.924 -5.985 38 H VAL 6 H VAL 6 6.906 -1.670 -4.022 39 HA VAL 6 HA VAL 6 5.235 -0.523 -6.059 40 HB VAL 6 HB VAL 6 4.897 -3.011 -4.379 41 HG11 VAL 6 HG11 VAL 6 2.712 -2.378 -5.167 42 HG12 VAL 6 HG12 VAL 6 3.291 -3.663 -6.227 43 HG13 VAL 6 HG13 VAL 6 3.344 -1.985 -6.766 44 HG21 VAL 6 HG21 VAL 6 5.544 -2.943 -7.305 45 HG22 VAL 6 HG22 VAL 6 5.973 -4.155 -6.098 46 HG23 VAL 6 HG23 VAL 6 6.831 -2.614 -6.145 47 H ILE 7 H ILE 7 4.831 -1.026 -2.589 48 HA ILE 7 HA ILE 7 2.075 -0.299 -2.449 49 HB ILE 7 HB ILE 7 4.259 0.041 -0.374 50 HG12 ILE 7 HG13 ILE 7 2.253 -2.203 -0.761 51 HG13 ILE 7 HG12 ILE 7 3.935 -2.282 -1.284 52 HG21 ILE 7 HG21 ILE 7 2.300 1.357 0.210 53 HG22 ILE 7 HG22 ILE 7 2.320 -0.091 1.217 54 HG23 ILE 7 HG23 ILE 7 1.232 0.005 -0.168 55 HD11 ILE 7 HD11 ILE 7 3.879 -1.384 1.434 56 HD12 ILE 7 HD12 ILE 7 4.567 -2.872 0.789 57 HD13 ILE 7 HD13 ILE 7 2.882 -2.832 1.306 58 H ALA 8 H ALA 8 5.039 1.660 -2.162 59 HA ALA 8 HA ALA 8 3.715 4.119 -1.557 60 HB1 ALA 8 HB1 ALA 8 5.937 4.996 -2.794 61 HB2 ALA 8 HB2 ALA 8 6.411 3.321 -2.516 62 HB3 ALA 8 HB3 ALA 8 5.958 4.347 -1.155 63 H GLN 9 H GLN 9 4.907 2.890 -4.706 64 HA GLN 9 HA GLN 9 3.793 5.125 -6.154 65 HB2 GLN 9 HB3 GLN 9 4.189 3.682 -8.181 66 HB3 GLN 9 HB2 GLN 9 5.613 3.926 -7.171 67 HG2 GLN 9 HG3 GLN 9 5.790 1.720 -6.776 68 HG3 GLN 9 HG2 GLN 9 4.108 1.635 -6.262 69 HE21 GLN 9 HE21 GLN 9 2.511 1.857 -8.301 70 HE22 GLN 9 HE22 GLN 9 2.935 0.898 -9.636 71 H PHE 10 H PHE 10 2.599 1.886 -5.376 72 HA PHE 10 HA PHE 10 0.334 1.888 -7.086 73 HB2 PHE 10 HB3 PHE 10 1.125 -0.088 -5.806 74 HB3 PHE 10 HB2 PHE 10 0.555 0.670 -4.320 75 HD1 PHE 10 HD1 PHE 10 -1.785 0.739 -3.768 76 HD2 PHE 10 HD2 PHE 10 -0.480 -0.765 -7.574 77 HE1 PHE 10 HE1 PHE 10 -4.056 -0.164 -4.190 78 HE2 PHE 10 HE2 PHE 10 -2.752 -1.666 -7.997 79 HZ PHE 10 HZ PHE 10 -4.538 -1.368 -6.304 80 H VAL 11 H VAL 11 0.545 2.933 -3.669 81 HA VAL 11 HA VAL 11 -2.168 3.952 -3.680 82 HB VAL 11 HB VAL 11 -1.608 4.839 -1.473 83 HG11 VAL 11 HG11 VAL 11 -1.243 2.775 -0.402 84 HG12 VAL 11 HG12 VAL 11 -0.169 2.202 -1.680 85 HG13 VAL 11 HG13 VAL 11 -1.907 2.304 -1.967 86 HG21 VAL 11 HG21 VAL 11 0.859 4.251 -0.741 87 HG22 VAL 11 HG22 VAL 11 0.529 5.757 -1.599 88 HG23 VAL 11 HG23 VAL 11 1.179 4.370 -2.471 89 H VAL 12 H VAL 12 1.052 5.436 -4.010 90 HA VAL 12 HA VAL 12 0.187 8.152 -3.994 91 HB VAL 12 HB VAL 12 2.552 6.846 -5.331 92 HG11 VAL 12 HG11 VAL 12 2.599 8.826 -6.478 93 HG12 VAL 12 HG12 VAL 12 3.291 9.424 -4.970 94 HG13 VAL 12 HG13 VAL 12 1.573 9.646 -5.301 95 HG21 VAL 12 HG21 VAL 12 3.686 7.195 -3.361 96 HG22 VAL 12 HG22 VAL 12 2.061 7.060 -2.688 97 HG23 VAL 12 HG23 VAL 12 2.769 8.650 -2.975 98 H GLU 13 H GLU 13 0.472 5.827 -6.661 99 HA GLU 13 HA GLU 13 -0.045 7.677 -8.758 100 HB2 GLU 13 HB3 GLU 13 -0.454 4.713 -8.497 101 HB3 GLU 13 HB2 GLU 13 -0.919 5.573 -9.957 102 HG2 GLU 13 HG3 GLU 13 1.369 6.438 -10.196 103 HG3 GLU 13 HG2 GLU 13 1.844 5.589 -8.731 104 H GLU 14 H GLU 14 -2.203 5.978 -6.566 105 HA GLU 14 HA GLU 14 -4.629 6.528 -8.000 106 HB2 GLU 14 HB3 GLU 14 -4.140 6.064 -5.044 107 HB3 GLU 14 HB2 GLU 14 -5.735 6.106 -5.799 108 HG2 GLU 14 HG3 GLU 14 -5.053 4.242 -7.294 109 HG3 GLU 14 HG2 GLU 14 -3.495 4.173 -6.469 110 H PHE 15 H PHE 15 -2.726 8.395 -5.680 111 HA PHE 15 HA PHE 15 -4.813 10.493 -5.600 112 HB2 PHE 15 HB3 PHE 15 -2.092 10.453 -4.264 113 HB3 PHE 15 HB2 PHE 15 -3.423 11.554 -3.913 114 HD1 PHE 15 HD1 PHE 15 -1.909 8.426 -3.123 115 HD2 PHE 15 HD2 PHE 15 -5.675 10.484 -3.171 116 HE1 PHE 15 HE1 PHE 15 -2.829 6.770 -1.529 117 HE2 PHE 15 HE2 PHE 15 -6.597 8.832 -1.568 118 HZ PHE 15 HZ PHE 15 -5.175 6.976 -0.745 119 H LEU 16 H LEU 16 -1.262 10.558 -6.152 120 HA LEU 16 HA LEU 16 -1.769 12.589 -8.293 121 HB2 LEU 16 HB3 LEU 16 -0.222 12.808 -5.823 122 HB3 LEU 16 HB2 LEU 16 0.727 13.213 -7.253 123 HG LEU 16 HG LEU 16 -2.034 14.343 -6.748 124 HD11 LEU 16 HD11 LEU 16 0.682 15.273 -5.845 125 HD12 LEU 16 HD12 LEU 16 -0.836 15.246 -4.948 126 HD13 LEU 16 HD13 LEU 16 -0.579 16.450 -6.210 127 HD21 LEU 16 HD21 LEU 16 -0.115 15.900 -8.298 128 HD22 LEU 16 HD22 LEU 16 -1.743 15.381 -8.736 129 HD23 LEU 16 HD23 LEU 16 -0.374 14.302 -8.998 130 HA PRO 17 HA PRO 17 0.940 9.279 -10.003 131 HB2 PRO 17 HB3 PRO 17 -0.443 8.981 -12.352 132 HB3 PRO 17 HB2 PRO 17 -0.810 8.082 -10.871 133 HG2 PRO 17 HG3 PRO 17 -2.255 10.309 -12.118 134 HG3 PRO 17 HG2 PRO 17 -2.839 9.045 -11.027 135 HD2 PRO 17 HD3 PRO 17 -2.256 11.733 -10.340 136 HD3 PRO 17 HD2 PRO 17 -2.612 10.405 -9.217 137 H ASP 18 H ASP 18 -0.029 12.414 -11.048 138 HA ASP 18 HA ASP 18 1.626 12.496 -13.441 139 HB2 ASP 18 HB3 ASP 18 0.350 14.665 -11.765 140 HB3 ASP 18 HB2 ASP 18 1.213 14.968 -13.268 141 H VAL 19 H VAL 19 2.313 12.357 -10.202 142 HA VAL 19 HA VAL 19 4.874 13.870 -10.528 143 HB VAL 19 HB VAL 19 3.457 13.097 -7.957 144 HG11 VAL 19 HG11 VAL 19 6.112 14.062 -8.582 145 HG12 VAL 19 HG12 VAL 19 5.442 13.597 -7.017 146 HG13 VAL 19 HG13 VAL 19 5.248 15.249 -7.605 147 HG21 VAL 19 HG21 VAL 19 2.070 14.794 -8.636 148 HG22 VAL 19 HG22 VAL 19 3.262 15.457 -9.755 149 HG23 VAL 19 HG23 VAL 19 3.383 15.804 -8.030 150 H ALA 20 H ALA 20 6.797 12.719 -10.124 151 HA ALA 20 HA ALA 20 6.731 9.897 -10.428 152 HB1 ALA 20 HB1 ALA 20 8.728 11.936 -10.183 153 HB2 ALA 20 HB2 ALA 20 8.909 10.302 -10.823 154 HB3 ALA 20 HB3 ALA 20 9.149 10.607 -9.103 155 HA PRO 21 HA PRO 21 5.512 9.106 -6.141 156 HB2 PRO 21 HB3 PRO 21 5.715 6.349 -6.237 157 HB3 PRO 21 HB2 PRO 21 4.293 7.277 -6.751 158 HG2 PRO 21 HG3 PRO 21 6.424 6.025 -8.377 159 HG3 PRO 21 HG2 PRO 21 4.705 6.250 -8.735 160 HD2 PRO 21 HD3 PRO 21 6.701 7.790 -9.815 161 HD3 PRO 21 HD2 PRO 21 5.029 8.356 -9.609 162 H ALA 22 H ALA 22 8.419 7.861 -7.653 163 HA ALA 22 HA ALA 22 9.689 6.945 -5.221 164 HB1 ALA 22 HB1 ALA 22 11.049 7.890 -7.759 165 HB2 ALA 22 HB2 ALA 22 10.354 6.280 -7.573 166 HB3 ALA 22 HB3 ALA 22 11.697 6.784 -6.547 167 H ASP 23 H ASP 23 9.032 10.034 -6.508 168 HA ASP 23 HA ASP 23 11.304 11.380 -5.227 169 HB2 ASP 23 HB3 ASP 23 8.796 12.441 -6.566 170 HB3 ASP 23 HB2 ASP 23 10.092 13.460 -5.940 171 H VAL 24 H VAL 24 8.689 9.899 -4.001 172 HA VAL 24 HA VAL 24 8.105 12.002 -1.975 173 HB VAL 24 HB VAL 24 6.718 9.345 -2.456 174 HG11 VAL 24 HG11 VAL 24 6.498 10.242 -0.157 175 HG12 VAL 24 HG12 VAL 24 4.962 10.310 -1.024 176 HG13 VAL 24 HG13 VAL 24 5.925 11.774 -0.818 177 HG21 VAL 24 HG21 VAL 24 6.337 10.724 -4.383 178 HG22 VAL 24 HG22 VAL 24 6.115 12.164 -3.388 179 HG23 VAL 24 HG23 VAL 24 4.901 10.885 -3.371 180 H ASP 25 H ASP 25 8.742 11.712 0.147 181 HA ASP 25 HA ASP 25 10.783 9.768 0.713 182 HB2 ASP 25 HB3 ASP 25 10.590 10.598 3.052 183 HB3 ASP 25 HB2 ASP 25 10.719 11.914 1.885 184 H VAL 26 H VAL 26 9.712 7.744 0.176 185 HA VAL 26 HA VAL 26 7.313 6.826 1.416 186 HB VAL 26 HB VAL 26 8.022 4.597 0.761 187 HG11 VAL 26 HG11 VAL 26 8.452 4.972 -1.589 188 HG12 VAL 26 HG12 VAL 26 9.121 6.570 -1.261 189 HG13 VAL 26 HG13 VAL 26 7.400 6.268 -1.022 190 HG21 VAL 26 HG21 VAL 26 10.438 4.474 -0.239 191 HG22 VAL 26 HG22 VAL 26 10.240 4.383 1.511 192 HG23 VAL 26 HG23 VAL 26 10.741 5.897 0.758 193 H ASP 27 H ASP 27 10.088 7.766 2.916 194 HA ASP 27 HA ASP 27 10.119 5.659 4.985 195 HB2 ASP 27 HB3 ASP 27 11.676 8.247 4.686 196 HB3 ASP 27 HB2 ASP 27 11.902 7.101 6.007 197 H LEU 28 H LEU 28 8.100 8.106 4.307 198 HA LEU 28 HA LEU 28 7.810 9.127 7.075 199 HB2 LEU 28 HB3 LEU 28 7.666 10.698 5.140 200 HB3 LEU 28 HB2 LEU 28 6.242 9.828 4.577 201 HG LEU 28 HG LEU 28 5.688 10.340 7.258 202 HD11 LEU 28 HD11 LEU 28 6.200 12.621 7.689 203 HD12 LEU 28 HD12 LEU 28 6.722 12.897 6.027 204 HD13 LEU 28 HD13 LEU 28 7.707 11.913 7.109 205 HD21 LEU 28 HD21 LEU 28 4.016 10.479 5.547 206 HD22 LEU 28 HD22 LEU 28 4.904 11.740 4.690 207 HD23 LEU 28 HD23 LEU 28 4.139 12.096 6.240 208 H ASP 29 H ASP 29 6.064 8.582 8.376 209 HA ASP 29 HA ASP 29 4.696 6.132 7.867 210 HB2 ASP 29 HB3 ASP 29 4.001 8.417 9.744 211 HB3 ASP 29 HB2 ASP 29 3.211 6.839 9.765 212 H LEU 30 H LEU 30 3.073 5.796 6.429 213 HA LEU 30 HA LEU 30 1.908 7.949 4.946 214 HB2 LEU 30 HB3 LEU 30 0.556 6.270 3.876 215 HB3 LEU 30 HB2 LEU 30 2.143 5.558 4.163 216 HG LEU 30 HG LEU 30 0.768 5.000 6.509 217 HD11 LEU 30 HD11 LEU 30 -1.399 4.248 5.977 218 HD12 LEU 30 HD12 LEU 30 -1.078 4.258 4.244 219 HD13 LEU 30 HD13 LEU 30 -1.286 5.778 5.111 220 HD21 LEU 30 HD21 LEU 30 0.769 2.684 5.638 221 HD22 LEU 30 HD22 LEU 30 2.290 3.503 5.281 222 HD23 LEU 30 HD23 LEU 30 1.079 3.301 4.015 223 H VAL 31 H VAL 31 1.374 7.203 8.107 224 HA VAL 31 HA VAL 31 -1.409 7.107 8.465 225 HB VAL 31 HB VAL 31 0.437 7.126 10.264 226 HG11 VAL 31 HG11 VAL 31 1.127 9.235 11.144 227 HG12 VAL 31 HG12 VAL 31 -0.064 10.107 10.181 228 HG13 VAL 31 HG13 VAL 31 1.330 9.362 9.398 229 HG21 VAL 31 HG21 VAL 31 -1.100 8.022 11.952 230 HG22 VAL 31 HG22 VAL 31 -2.007 7.108 10.748 231 HG23 VAL 31 HG23 VAL 31 -2.008 8.871 10.701 232 H ASP 32 H ASP 32 0.668 9.878 7.738 233 HA ASP 32 HA ASP 32 -1.328 11.911 7.926 234 HB2 ASP 32 HB3 ASP 32 1.088 11.685 6.095 235 HB3 ASP 32 HB2 ASP 32 0.119 13.148 6.278 236 H ASN 33 H ASN 33 -0.478 9.576 5.452 237 HA ASN 33 HA ASN 33 -2.428 10.623 3.526 238 HB2 ASN 33 HB3 ASN 33 -0.863 8.032 3.489 239 HB3 ASN 33 HB2 ASN 33 -1.721 8.749 2.128 240 HD21 ASN 33 HD21 ASN 33 -0.291 11.164 4.072 241 HD22 ASN 33 HD22 ASN 33 1.107 11.419 3.144 242 H GLY 34 H GLY 34 -2.992 9.421 6.338 243 HA2 GLY 34 HA3 GLY 34 -4.297 7.000 6.335 244 HA3 GLY 34 HA2 GLY 34 -4.914 8.387 7.231 245 H VAL 35 H VAL 35 -5.104 9.685 4.374 246 HA VAL 35 HA VAL 35 -7.883 9.459 4.033 247 HB VAL 35 HB VAL 35 -5.710 9.976 1.982 248 HG11 VAL 35 HG11 VAL 35 -8.030 11.127 1.027 249 HG12 VAL 35 HG12 VAL 35 -8.608 9.593 1.675 250 HG13 VAL 35 HG13 VAL 35 -7.341 9.610 0.449 251 HG21 VAL 35 HG21 VAL 35 -6.112 12.260 2.388 252 HG22 VAL 35 HG22 VAL 35 -6.210 11.550 4.000 253 HG23 VAL 35 HG23 VAL 35 -7.686 11.948 3.121 254 H ILE 36 H ILE 36 -5.287 7.420 2.774 255 HA ILE 36 HA ILE 36 -6.969 5.799 1.074 256 HB ILE 36 HB ILE 36 -4.344 6.050 1.175 257 HG12 ILE 36 HG13 ILE 36 -5.889 3.507 0.626 258 HG13 ILE 36 HG12 ILE 36 -5.330 4.712 -0.535 259 HG21 ILE 36 HG21 ILE 36 -4.454 5.128 3.600 260 HG22 ILE 36 HG22 ILE 36 -3.205 4.488 2.532 261 HG23 ILE 36 HG23 ILE 36 -4.671 3.553 2.837 262 HD11 ILE 36 HD11 ILE 36 -3.737 2.630 0.934 263 HD12 ILE 36 HD12 ILE 36 -2.950 4.104 0.370 264 HD13 ILE 36 HD13 ILE 36 -3.731 3.026 -0.785 265 H ASP 37 H ASP 37 -6.400 5.898 4.480 266 HA ASP 37 HA ASP 37 -6.783 3.217 5.238 267 HB2 ASP 37 HB3 ASP 37 -7.723 5.720 6.661 268 HB3 ASP 37 HB2 ASP 37 -7.638 4.119 7.388 269 H SER 38 H SER 38 -9.218 5.578 4.216 270 HA SER 38 HA SER 38 -11.273 3.442 4.637 271 HB2 SER 38 2HB SER 38 -11.919 6.371 4.442 272 HB3 SER 38 1HB SER 38 -12.878 5.076 5.156 273 H LEU 39 H LEU 39 -10.992 6.400 2.622 274 HA LEU 39 HA LEU 39 -12.702 5.389 0.590 275 HB2 LEU 39 HB3 LEU 39 -12.059 7.795 0.881 276 HB3 LEU 39 HB2 LEU 39 -10.472 7.393 0.234 277 HG LEU 39 HG LEU 39 -12.751 6.470 -1.404 278 HD11 LEU 39 HD11 LEU 39 -13.165 8.709 -2.347 279 HD12 LEU 39 HD12 LEU 39 -12.075 9.417 -1.156 280 HD13 LEU 39 HD13 LEU 39 -13.584 8.668 -0.636 281 HD21 LEU 39 HD21 LEU 39 -11.273 7.383 -3.198 282 HD22 LEU 39 HD22 LEU 39 -10.432 6.236 -2.156 283 HD23 LEU 39 HD23 LEU 39 -10.169 7.969 -1.954 284 H GLY 40 H GLY 40 -9.149 5.561 0.662 285 HA2 GLY 40 HA3 GLY 40 -8.846 4.041 -1.773 286 HA3 GLY 40 HA2 GLY 40 -7.568 4.414 -0.625 287 H LEU 41 H LEU 41 -8.790 3.227 1.675 288 HA LEU 41 HA LEU 41 -7.852 0.569 1.451 289 HB2 LEU 41 HB3 LEU 41 -8.179 1.813 3.595 290 HB3 LEU 41 HB2 LEU 41 -9.917 1.599 3.410 291 HG LEU 41 HG LEU 41 -9.490 -0.894 3.277 292 HD11 LEU 41 HD11 LEU 41 -7.082 -1.063 4.694 293 HD12 LEU 41 HD12 LEU 41 -6.755 0.090 3.401 294 HD13 LEU 41 HD13 LEU 41 -7.343 -1.526 3.013 295 HD21 LEU 41 HD21 LEU 41 -8.460 0.247 5.873 296 HD22 LEU 41 HD22 LEU 41 -9.517 -1.142 5.627 297 HD23 LEU 41 HD23 LEU 41 -10.136 0.489 5.379 298 H LEU 42 H LEU 42 -11.191 1.821 1.258 299 HA LEU 42 HA LEU 42 -12.440 -0.730 0.963 300 HB2 LEU 42 HB3 LEU 42 -13.242 2.013 -0.025 301 HB3 LEU 42 HB2 LEU 42 -14.277 0.602 -0.162 302 HG LEU 42 HG LEU 42 -13.134 1.652 2.439 303 HD11 LEU 42 HD11 LEU 42 -15.972 1.794 2.339 304 HD12 LEU 42 HD12 LEU 42 -15.365 2.544 0.862 305 HD13 LEU 42 HD13 LEU 42 -14.830 3.135 2.435 306 HD21 LEU 42 HD21 LEU 42 -13.627 -0.484 3.038 307 HD22 LEU 42 HD22 LEU 42 -14.631 -0.749 1.614 308 HD23 LEU 42 HD23 LEU 42 -15.297 0.080 3.019 309 H LYS 43 H LYS 43 -11.150 1.554 -1.448 310 HA LYS 43 HA LYS 43 -11.885 0.024 -3.742 311 HB2 LYS 43 HB3 LYS 43 -9.575 1.927 -3.307 312 HB3 LYS 43 HB2 LYS 43 -10.078 1.313 -4.877 313 HG2 LYS 43 HG3 LYS 43 -12.349 2.277 -4.484 314 HG3 LYS 43 HG2 LYS 43 -11.750 2.985 -2.983 315 HD2 LYS 43 HD3 LYS 43 -9.999 4.190 -4.298 316 HD3 LYS 43 HD2 LYS 43 -10.726 3.562 -5.778 317 HE2 LYS 43 HE3 LYS 43 -12.274 5.169 -3.732 318 HE3 LYS 43 HE2 LYS 43 -11.478 5.897 -5.127 319 HZ1 LYS 43 HZ1 LYS 43 -13.974 5.030 -5.187 320 HZ2 LYS 43 HZ2 LYS 43 -13.185 3.596 -5.649 321 HZ3 LYS 43 HZ3 LYS 43 -12.969 5.018 -6.554 322 H VAL 44 H VAL 44 -9.134 -0.094 -1.550 323 HA VAL 44 HA VAL 44 -7.484 -1.861 -3.071 324 HB VAL 44 HB VAL 44 -7.730 -1.475 -0.075 325 HG11 VAL 44 HG11 VAL 44 -5.650 -2.921 -1.736 326 HG12 VAL 44 HG12 VAL 44 -6.691 -3.624 -0.500 327 HG13 VAL 44 HG13 VAL 44 -5.428 -2.480 -0.045 328 HG21 VAL 44 HG21 VAL 44 -6.594 0.432 -0.457 329 HG22 VAL 44 HG22 VAL 44 -6.644 0.117 -2.191 330 HG23 VAL 44 HG23 VAL 44 -5.304 -0.495 -1.223 331 H ILE 45 H ILE 45 -10.089 -2.522 -0.729 332 HA ILE 45 HA ILE 45 -9.725 -5.324 -0.539 333 HB ILE 45 HB ILE 45 -12.342 -3.788 -0.517 334 HG12 ILE 45 HG13 ILE 45 -10.865 -2.808 1.123 335 HG13 ILE 45 HG12 ILE 45 -11.993 -3.847 1.985 336 HG21 ILE 45 HG21 ILE 45 -12.188 -6.030 1.271 337 HG22 ILE 45 HG22 ILE 45 -11.769 -6.550 -0.360 338 HG23 ILE 45 HG23 ILE 45 -13.311 -5.752 -0.060 339 HD11 ILE 45 HD11 ILE 45 -9.079 -4.304 1.396 340 HD12 ILE 45 HD12 ILE 45 -10.150 -5.677 1.675 341 HD13 ILE 45 HD13 ILE 45 -9.939 -4.455 2.928 342 H ALA 46 H ALA 46 -11.815 -3.477 -2.791 343 HA ALA 46 HA ALA 46 -12.654 -5.812 -4.251 344 HB1 ALA 46 HB1 ALA 46 -12.751 -3.636 -6.023 345 HB2 ALA 46 HB2 ALA 46 -13.010 -2.934 -4.426 346 HB3 ALA 46 HB3 ALA 46 -14.066 -4.222 -5.004 347 H TRP 47 H TRP 47 -9.967 -3.534 -4.657 348 HA TRP 47 HA TRP 47 -9.105 -4.601 -7.199 349 HB2 TRP 47 HB3 TRP 47 -8.342 -2.412 -6.657 350 HB3 TRP 47 HB2 TRP 47 -7.751 -2.929 -5.078 351 HD1 TRP 47 HD1 TRP 47 -7.016 -3.504 -8.825 352 HE1 TRP 47 HE1 TRP 47 -4.511 -4.059 -9.073 353 HE3 TRP 47 HE3 TRP 47 -5.644 -3.626 -3.909 354 HZ2 TRP 47 HZ2 TRP 47 -2.225 -4.492 -7.408 355 HZ3 TRP 47 HZ3 TRP 47 -3.300 -4.112 -3.268 356 HH2 TRP 47 HH2 TRP 47 -1.590 -4.545 -5.011 357 H LEU 48 H LEU 48 -8.075 -5.158 -3.837 358 HA LEU 48 HA LEU 48 -5.945 -6.925 -4.394 359 HB2 LEU 48 HB3 LEU 48 -6.518 -5.936 -2.151 360 HB3 LEU 48 HB2 LEU 48 -7.848 -7.077 -2.042 361 HG LEU 48 HG LEU 48 -6.023 -8.874 -2.513 362 HD11 LEU 48 HD11 LEU 48 -4.151 -7.134 -1.059 363 HD12 LEU 48 HD12 LEU 48 -4.448 -6.638 -2.724 364 HD13 LEU 48 HD13 LEU 48 -3.842 -8.259 -2.381 365 HD21 LEU 48 HD21 LEU 48 -6.858 -9.161 -0.406 366 HD22 LEU 48 HD22 LEU 48 -6.794 -7.436 -0.046 367 HD23 LEU 48 HD23 LEU 48 -5.336 -8.419 0.090 368 H GLU 49 H GLU 49 -9.395 -7.653 -3.813 369 HA GLU 49 HA GLU 49 -9.099 -10.491 -4.199 370 HB2 GLU 49 HB3 GLU 49 -11.059 -9.516 -3.064 371 HB3 GLU 49 HB2 GLU 49 -11.544 -8.730 -4.560 372 HG2 GLU 49 HG3 GLU 49 -11.733 -10.952 -5.636 373 HG3 GLU 49 HG2 GLU 49 -11.322 -11.709 -4.103 374 H ASP 50 H ASP 50 -9.801 -7.790 -6.367 375 HA ASP 50 HA ASP 50 -10.410 -9.380 -8.673 376 HB2 ASP 50 HB3 ASP 50 -10.936 -6.946 -8.403 377 HB3 ASP 50 HB2 ASP 50 -9.217 -6.609 -8.604 378 H ARG 51 H ARG 51 -7.372 -7.943 -7.507 379 HA ARG 51 HA ARG 51 -5.904 -9.042 -9.802 380 HB2 ARG 51 HB3 ARG 51 -5.368 -6.813 -8.815 381 HB3 ARG 51 HB2 ARG 51 -4.834 -7.632 -7.346 382 HG2 ARG 51 HG3 ARG 51 -3.164 -8.894 -8.666 383 HG3 ARG 51 HG2 ARG 51 -3.680 -8.042 -10.122 384 HD2 ARG 51 HD3 ARG 51 -3.092 -5.881 -9.007 385 HD3 ARG 51 HD2 ARG 51 -2.458 -6.798 -7.641 386 HE ARG 51 HE ARG 51 -1.112 -6.395 -10.169 387 HH11 ARG 51 HH11 ARG 51 0.849 -7.483 -10.452 388 HH12 ARG 51 HH12 ARG 51 1.242 -8.815 -9.418 389 HH21 ARG 51 HH21 ARG 51 -1.700 -8.611 -7.594 390 HH22 ARG 51 HH22 ARG 51 -0.201 -9.454 -7.800 391 H PHE 52 H PHE 52 -5.514 -9.416 -6.243 392 HA PHE 52 HA PHE 52 -3.821 -11.749 -6.643 393 HB2 PHE 52 HB3 PHE 52 -4.993 -10.450 -4.179 394 HB3 PHE 52 HB2 PHE 52 -3.943 -11.864 -4.122 395 HD1 PHE 52 HD1 PHE 52 -4.121 -8.263 -4.695 396 HD2 PHE 52 HD2 PHE 52 -1.597 -11.729 -4.933 397 HE1 PHE 52 HE1 PHE 52 -2.129 -6.799 -4.888 398 HE2 PHE 52 HE2 PHE 52 0.396 -10.265 -5.127 399 HZ PHE 52 HZ PHE 52 0.129 -7.800 -5.105 400 H GLY 53 H GLY 53 -7.245 -11.294 -6.241 401 HA2 GLY 53 HA3 GLY 53 -8.915 -12.983 -6.390 402 HA3 GLY 53 HA2 GLY 53 -7.630 -14.186 -6.472 403 H ILE 54 H ILE 54 -7.856 -11.757 -3.936 404 HA ILE 54 HA ILE 54 -8.167 -13.971 -1.968 405 HB ILE 54 HB ILE 54 -7.292 -11.098 -1.542 406 HG12 ILE 54 HG13 ILE 54 -5.592 -13.605 -1.536 407 HG13 ILE 54 HG12 ILE 54 -5.777 -12.581 -2.961 408 HG21 ILE 54 HG21 ILE 54 -6.341 -12.366 0.581 409 HG22 ILE 54 HG22 ILE 54 -7.654 -13.490 0.229 410 HG23 ILE 54 HG23 ILE 54 -8.009 -11.793 0.556 411 HD11 ILE 54 HD11 ILE 54 -3.750 -12.066 -1.511 412 HD12 ILE 54 HD12 ILE 54 -4.882 -11.507 -0.278 413 HD13 ILE 54 HD13 ILE 54 -4.812 -10.697 -1.843 414 H ALA 55 H ALA 55 -9.877 -13.951 -0.501 415 HA ALA 55 HA ALA 55 -12.293 -12.644 -1.251 416 HB1 ALA 55 HB1 ALA 55 -12.361 -13.276 1.541 417 HB2 ALA 55 HB2 ALA 55 -11.466 -14.546 0.706 418 HB3 ALA 55 HB3 ALA 55 -13.110 -14.149 0.205 419 H ALA 56 H ALA 56 -13.322 -10.820 -0.420 420 HA ALA 56 HA ALA 56 -11.657 -8.665 0.473 421 HB1 ALA 56 HB1 ALA 56 -13.562 -7.943 -0.667 422 HB2 ALA 56 HB2 ALA 56 -14.021 -7.644 1.010 423 HB3 ALA 56 HB3 ALA 56 -14.617 -9.079 0.175 424 H ASP 57 H ASP 57 -13.279 -11.193 2.173 425 HA ASP 57 HA ASP 57 -13.858 -10.022 4.653 426 HB2 ASP 57 HB3 ASP 57 -12.745 -12.760 4.031 427 HB3 ASP 57 HB2 ASP 57 -13.347 -12.290 5.618 428 H ASP 58 H ASP 58 -10.738 -11.082 3.348 429 HA ASP 58 HA ASP 58 -8.566 -10.757 4.172 430 HB2 ASP 58 HB3 ASP 58 -10.014 -8.332 5.235 431 HB3 ASP 58 HB2 ASP 58 -8.267 -8.538 5.362 432 H VAL 59 H VAL 59 -7.315 -10.406 6.337 433 HA VAL 59 HA VAL 59 -8.918 -11.428 8.633 434 HB VAL 59 HB VAL 59 -7.884 -13.377 7.602 435 HG11 VAL 59 HG11 VAL 59 -5.322 -11.778 7.876 436 HG12 VAL 59 HG12 VAL 59 -6.104 -12.258 6.369 437 HG13 VAL 59 HG13 VAL 59 -5.395 -13.482 7.423 438 HG21 VAL 59 HG21 VAL 59 -7.932 -13.162 10.107 439 HG22 VAL 59 HG22 VAL 59 -6.282 -12.543 10.039 440 HG23 VAL 59 HG23 VAL 59 -6.627 -14.191 9.516 441 H GLU 60 H GLU 60 -8.237 -10.682 10.632 442 HA GLU 60 HA GLU 60 -7.223 -9.181 12.119 443 HB2 GLU 60 HB3 GLU 60 -5.381 -10.833 11.791 444 HB3 GLU 60 HB2 GLU 60 -4.757 -9.833 10.485 445 HG2 GLU 60 HG3 GLU 60 -4.562 -7.939 12.075 446 HG3 GLU 60 HG2 GLU 60 -5.085 -9.007 13.371 447 H LEU 61 H LEU 61 -8.465 -7.415 11.012 448 HA LEU 61 HA LEU 61 -6.738 -5.668 9.327 449 HB2 LEU 61 HB3 LEU 61 -9.404 -4.641 9.627 450 HB3 LEU 61 HB2 LEU 61 -8.616 -5.228 8.166 451 HG LEU 61 HG LEU 61 -10.005 -6.969 10.211 452 HD11 LEU 61 HD11 LEU 61 -11.651 -7.310 8.359 453 HD12 LEU 61 HD12 LEU 61 -10.816 -6.061 7.436 454 HD13 LEU 61 HD13 LEU 61 -11.618 -5.650 8.952 455 HD21 LEU 61 HD21 LEU 61 -8.020 -7.600 8.311 456 HD22 LEU 61 HD22 LEU 61 -9.544 -8.127 7.597 457 HD23 LEU 61 HD23 LEU 61 -9.056 -8.733 9.179 458 H SER 62 H SER 62 -5.872 -3.857 10.277 459 HA SER 62 HA SER 62 -7.330 -2.500 12.427 460 HB2 SER 62 HB3 SER 62 -5.454 -4.460 13.129 461 HB3 SER 62 HB2 SER 62 -4.605 -2.931 13.339 462 HG SER 62 HG SER 62 -7.193 -3.523 14.353 463 HA PRO 63 HA PRO 63 -5.368 0.987 10.519 464 HB2 PRO 63 HB3 PRO 63 -5.188 2.676 12.709 465 HB3 PRO 63 HB2 PRO 63 -6.649 2.441 11.734 466 HG2 PRO 63 HG3 PRO 63 -5.918 1.276 14.364 467 HG3 PRO 63 HG2 PRO 63 -7.498 1.799 13.755 468 HD2 PRO 63 HD3 PRO 63 -6.789 -0.824 13.892 469 HD3 PRO 63 HD2 PRO 63 -7.885 -0.196 12.642 470 H GLU 64 H GLU 64 -3.957 -0.427 13.397 471 HA GLU 64 HA GLU 64 -1.521 1.035 13.492 472 HB2 GLU 64 HB3 GLU 64 -2.093 -1.830 14.244 473 HB3 GLU 64 HB2 GLU 64 -0.627 -0.964 14.677 474 HG2 GLU 64 HG3 GLU 64 -2.006 0.729 15.844 475 HG3 GLU 64 HG2 GLU 64 -3.444 -0.211 15.467 476 H HIS 65 H HIS 65 -2.565 -1.642 11.490 477 HA HIS 65 HA HIS 65 0.021 -2.377 10.477 478 HB2 HIS 65 HB3 HIS 65 -1.882 -3.887 10.310 479 HB3 HIS 65 HB2 HIS 65 -2.749 -2.728 9.303 480 HD1 HIS 65 HD1 HIS 65 -2.281 -2.770 6.826 481 HD2 HIS 65 HD2 HIS 65 0.519 -4.977 8.994 482 HE1 HIS 65 HE1 HIS 65 -0.848 -3.981 5.123 483 HE2 HIS 65 HE2 HIS 65 0.861 -5.323 6.431 484 H PHE 66 H PHE 66 -2.212 0.187 9.594 485 HA PHE 66 HA PHE 66 -0.744 0.657 7.064 486 HB2 PHE 66 HB3 PHE 66 -3.171 2.027 8.249 487 HB3 PHE 66 HB2 PHE 66 -2.488 2.373 6.661 488 HD1 PHE 66 HD1 PHE 66 -2.517 0.650 4.873 489 HD2 PHE 66 HD2 PHE 66 -4.454 0.026 8.654 490 HE1 PHE 66 HE1 PHE 66 -3.790 -1.246 3.906 491 HE2 PHE 66 HE2 PHE 66 -5.728 -1.870 7.688 492 HZ PHE 66 HZ PHE 66 -5.397 -2.505 5.315 493 H ARG 67 H ARG 67 -0.096 1.425 10.162 494 HA ARG 67 HA ARG 67 0.254 4.248 10.167 495 HB2 ARG 67 HB3 ARG 67 1.847 2.094 11.584 496 HB3 ARG 67 HB2 ARG 67 1.961 3.816 11.938 497 HG2 ARG 67 HG3 ARG 67 -0.707 2.454 11.952 498 HG3 ARG 67 HG2 ARG 67 0.342 2.345 13.363 499 HD2 ARG 67 HD3 ARG 67 0.490 4.872 13.328 500 HD3 ARG 67 HD2 ARG 67 -0.759 4.864 12.084 501 HE ARG 67 HE ARG 67 -1.497 3.368 14.482 502 HH11 ARG 67 HH11 ARG 67 -3.211 4.245 15.666 503 HH12 ARG 67 HH12 ARG 67 -3.723 5.869 15.350 504 HH21 ARG 67 HH21 ARG 67 -1.367 6.409 12.863 505 HH22 ARG 67 HH22 ARG 67 -2.679 7.095 13.762 506 H SER 68 H SER 68 2.378 1.666 8.951 507 HA SER 68 HA SER 68 3.992 3.813 7.635 508 HB2 SER 68 HB3 SER 68 6.042 2.595 8.116 509 HB3 SER 68 HB2 SER 68 5.192 2.899 9.629 510 HG SER 68 HG SER 68 4.211 0.670 8.853 511 H ILE 69 H ILE 69 4.793 3.269 5.571 512 HA ILE 69 HA ILE 69 3.263 1.379 4.060 513 HB ILE 69 HB ILE 69 5.886 2.731 3.369 514 HG12 ILE 69 HG13 ILE 69 3.048 3.555 2.736 515 HG13 ILE 69 HG12 ILE 69 4.027 4.274 4.006 516 HG21 ILE 69 HG21 ILE 69 4.306 0.783 2.020 517 HG22 ILE 69 HG22 ILE 69 5.749 1.613 1.437 518 HG23 ILE 69 HG23 ILE 69 4.154 2.312 1.160 519 HD11 ILE 69 HD11 ILE 69 3.966 5.043 1.312 520 HD12 ILE 69 HD12 ILE 69 5.492 4.179 1.507 521 HD13 ILE 69 HD13 ILE 69 5.128 5.570 2.529 522 H ARG 70 H ARG 70 6.488 1.273 5.521 523 HA ARG 70 HA ARG 70 7.403 -1.123 4.287 524 HB2 ARG 70 HB3 ARG 70 8.004 -0.009 7.043 525 HB3 ARG 70 HB2 ARG 70 8.916 -1.300 6.260 526 HG2 ARG 70 HG3 ARG 70 9.401 0.248 4.361 527 HG3 ARG 70 HG2 ARG 70 8.589 1.539 5.247 528 HD2 ARG 70 HD3 ARG 70 11.040 0.006 6.162 529 HD3 ARG 70 HD2 ARG 70 10.996 1.687 5.633 530 HE ARG 70 HE ARG 70 10.119 0.681 8.240 531 HH11 ARG 70 HH11 ARG 70 9.487 2.281 9.706 532 HH12 ARG 70 HH12 ARG 70 9.209 3.894 9.140 533 HH21 ARG 70 HH21 ARG 70 9.965 3.150 5.839 534 HH22 ARG 70 HH22 ARG 70 9.480 4.385 6.951 535 H SER 71 H SER 71 5.400 -0.616 7.181 536 HA SER 71 HA SER 71 5.414 -3.315 8.094 537 HB2 SER 71 HB3 SER 71 3.448 -2.707 9.362 538 HB3 SER 71 HB2 SER 71 4.530 -1.321 9.357 539 HG SER 71 HG SER 71 3.079 -1.063 7.219 540 H ILE 72 H ILE 72 3.461 -1.658 5.647 541 HA ILE 72 HA ILE 72 1.591 -3.789 5.236 542 HB ILE 72 HB ILE 72 2.537 -1.690 3.260 543 HG12 ILE 72 HG13 ILE 72 0.240 -1.595 5.243 544 HG13 ILE 72 HG12 ILE 72 1.771 -0.741 5.443 545 HG21 ILE 72 HG21 ILE 72 -0.253 -2.687 3.331 546 HG22 ILE 72 HG22 ILE 72 0.955 -3.834 2.757 547 HG23 ILE 72 HG23 ILE 72 0.760 -2.281 1.948 548 HD11 ILE 72 HD11 ILE 72 -0.244 -0.350 3.213 549 HD12 ILE 72 HD12 ILE 72 1.349 0.404 3.249 550 HD13 ILE 72 HD13 ILE 72 0.158 0.801 4.488 551 H ASP 73 H ASP 73 4.738 -2.998 3.803 552 HA ASP 73 HA ASP 73 4.738 -4.941 1.733 553 HB2 ASP 73 HB3 ASP 73 6.443 -3.103 2.076 554 HB3 ASP 73 HB2 ASP 73 7.149 -4.089 3.356 555 H ALA 74 H ALA 74 5.630 -5.218 5.166 556 HA ALA 74 HA ALA 74 6.656 -7.886 4.996 557 HB1 ALA 74 HB1 ALA 74 7.066 -7.516 7.179 558 HB2 ALA 74 HB2 ALA 74 5.340 -7.415 7.521 559 HB3 ALA 74 HB3 ALA 74 6.227 -5.972 7.030 560 H PHE 75 H PHE 75 3.394 -6.650 5.713 561 HA PHE 75 HA PHE 75 2.197 -9.209 6.155 562 HB2 PHE 75 HB3 PHE 75 1.133 -7.033 6.749 563 HB3 PHE 75 HB2 PHE 75 0.889 -6.726 5.031 564 HD1 PHE 75 HD1 PHE 75 -0.820 -7.868 3.774 565 HD2 PHE 75 HD2 PHE 75 -0.035 -8.925 7.862 566 HE1 PHE 75 HE1 PHE 75 -2.902 -9.214 3.826 567 HE2 PHE 75 HE2 PHE 75 -2.117 -10.271 7.914 568 HZ PHE 75 HZ PHE 75 -3.551 -10.414 5.896 569 H VAL 76 H VAL 76 2.459 -7.207 3.214 570 HA VAL 76 HA VAL 76 1.078 -9.023 1.499 571 HB VAL 76 HB VAL 76 3.173 -6.907 0.957 572 HG11 VAL 76 HG11 VAL 76 3.390 -7.960 -1.038 573 HG12 VAL 76 HG12 VAL 76 1.804 -7.273 -1.387 574 HG13 VAL 76 HG13 VAL 76 1.937 -8.927 -0.790 575 HG21 VAL 76 HG21 VAL 76 0.499 -6.485 -0.091 576 HG22 VAL 76 HG22 VAL 76 1.434 -5.468 1.006 577 HG23 VAL 76 HG23 VAL 76 0.446 -6.782 1.648 578 H VAL 77 H VAL 77 4.546 -8.646 2.266 579 HA VAL 77 HA VAL 77 5.523 -10.609 0.463 580 HB VAL 77 HB VAL 77 6.536 -9.634 3.143 581 HG11 VAL 77 HG11 VAL 77 8.713 -10.683 2.334 582 HG12 VAL 77 HG12 VAL 77 7.741 -11.563 1.156 583 HG13 VAL 77 HG13 VAL 77 7.473 -11.811 2.880 584 HG21 VAL 77 HG21 VAL 77 7.406 -7.939 1.934 585 HG22 VAL 77 HG22 VAL 77 6.511 -8.534 0.535 586 HG23 VAL 77 HG23 VAL 77 8.166 -9.076 0.820 587 H GLY 78 H GLY 78 4.328 -10.883 3.794 588 HA2 GLY 78 HA3 GLY 78 4.974 -13.610 4.222 589 HA3 GLY 78 HA2 GLY 78 3.651 -12.759 5.017 590 H ALA 79 H ALA 79 2.258 -12.146 2.476 591 HA ALA 79 HA ALA 79 1.123 -14.862 2.054 592 HB1 ALA 79 HB1 ALA 79 -0.549 -12.992 0.819 593 HB2 ALA 79 HB2 ALA 79 0.003 -12.197 2.293 594 HB3 ALA 79 HB3 ALA 79 -0.810 -13.760 2.386 595 H THR 80 H THR 80 1.950 -11.951 0.146 596 HA THR 80 HA THR 80 2.519 -13.785 -2.146 597 HB THR 80 HB THR 80 1.428 -12.324 -3.682 598 HG1 THR 80 HG1 THR 80 1.454 -10.285 -3.265 599 HG21 THR 80 HG21 THR 80 -0.557 -12.015 -1.504 600 HG22 THR 80 HG22 THR 80 0.040 -13.652 -1.770 601 HG23 THR 80 HG23 THR 80 -0.730 -12.769 -3.088 602 H THR 81 H THR 81 4.091 -12.895 -3.682 603 HA THR 81 HA THR 81 5.671 -10.605 -2.634 604 HB THR 81 HB THR 81 6.949 -12.403 -1.805 605 HG1 THR 81 HG1 THR 81 8.721 -12.526 -3.329 606 HG21 THR 81 HG21 THR 81 6.123 -13.771 -4.359 607 HG22 THR 81 HG22 THR 81 5.895 -14.308 -2.695 608 HG23 THR 81 HG23 THR 81 7.500 -14.354 -3.423 609 HA PRO 82 HA PRO 82 4.806 -10.161 -7.151 610 HB2 PRO 82 HB3 PRO 82 5.082 -7.297 -6.546 611 HB3 PRO 82 HB2 PRO 82 3.722 -8.160 -7.281 612 HG2 PRO 82 HG3 PRO 82 3.651 -7.132 -4.781 613 HG3 PRO 82 HG2 PRO 82 2.722 -8.556 -5.279 614 HD2 PRO 82 HD3 PRO 82 5.217 -8.416 -3.637 615 HD3 PRO 82 HD2 PRO 82 3.859 -9.561 -3.539 616 HA PRO 83 HA PRO 83 8.809 -9.200 -8.778 617 HB2 PRO 83 HB3 PRO 83 7.985 -6.717 -10.149 618 HB3 PRO 83 HB2 PRO 83 8.586 -8.235 -10.837 619 HG2 PRO 83 HG3 PRO 83 6.019 -7.453 -11.044 620 HG3 PRO 83 HG2 PRO 83 6.509 -9.153 -10.974 621 HD2 PRO 83 HD3 PRO 83 5.254 -7.466 -8.852 622 HD3 PRO 83 HD2 PRO 83 5.090 -9.208 -9.162 623 H VAL 84 H VAL 84 10.695 -7.976 -8.310 624 HA VAL 84 HA VAL 84 10.253 -5.647 -6.483 625 HB VAL 84 HB VAL 84 12.657 -7.488 -6.657 626 HG11 VAL 84 HG11 VAL 84 13.675 -5.981 -5.332 627 HG12 VAL 84 HG12 VAL 84 12.349 -6.079 -4.175 628 HG13 VAL 84 HG13 VAL 84 12.280 -4.916 -5.499 629 HG21 VAL 84 HG21 VAL 84 11.064 -8.880 -5.698 630 HG22 VAL 84 HG22 VAL 84 10.141 -7.535 -5.029 631 HG23 VAL 84 HG23 VAL 84 11.646 -8.040 -4.260 632 H GLU 85 H GLU 85 11.051 -3.704 -7.133 633 HA GLU 85 HA GLU 85 13.122 -3.669 -9.272 634 HB2 GLU 85 HB3 GLU 85 10.641 -1.927 -9.161 635 HB3 GLU 85 HB2 GLU 85 11.938 -1.784 -10.348 636 HG2 GLU 85 HG3 GLU 85 11.499 -4.123 -11.073 637 HG3 GLU 85 HG2 GLU 85 10.150 -4.198 -9.939 638 H ALA 86 H ALA 86 14.402 -1.671 -9.276 639 HA ALA 86 HA ALA 86 15.110 -0.780 -6.657 640 HB1 ALA 86 HB1 ALA 86 16.621 0.708 -7.735 641 HB2 ALA 86 HB2 ALA 86 15.623 0.794 -9.187 642 HB3 ALA 86 HB3 ALA 86 16.512 -0.683 -8.813 643 H LYS 87 H LYS 87 14.570 1.129 -5.539 644 HA LYS 87 HA LYS 87 11.948 2.162 -5.862 645 HB2 LYS 87 HB3 LYS 87 13.318 2.326 -3.769 646 HB3 LYS 87 HB2 LYS 87 14.294 3.570 -4.552 647 HG2 LYS 87 HG3 LYS 87 12.250 4.938 -4.889 648 HG3 LYS 87 HG2 LYS 87 11.308 3.710 -4.042 649 HD2 LYS 87 HD3 LYS 87 12.802 4.023 -2.050 650 HD3 LYS 87 HD2 LYS 87 13.577 5.362 -2.898 651 HE2 LYS 87 HE3 LYS 87 10.594 5.233 -2.394 652 HE3 LYS 87 HE2 LYS 87 11.723 6.041 -1.305 653 HZ1 LYS 87 HZ1 LYS 87 10.904 7.671 -2.781 654 HZ2 LYS 87 HZ2 LYS 87 11.164 6.689 -4.142 655 HZ3 LYS 87 HZ3 LYS 87 12.485 7.332 -3.290 656 H LEU 88 H LEU 88 15.059 3.326 -7.101 657 HA LEU 88 HA LEU 88 13.707 5.628 -8.388 658 HB2 LEU 88 HB3 LEU 88 16.631 4.826 -8.459 659 HB3 LEU 88 HB2 LEU 88 15.953 6.368 -8.979 660 HG LEU 88 HG LEU 88 15.939 5.262 -6.157 661 HD11 LEU 88 HD11 LEU 88 17.234 7.770 -7.253 662 HD12 LEU 88 HD12 LEU 88 18.094 6.240 -7.073 663 HD13 LEU 88 HD13 LEU 88 17.450 7.064 -5.651 664 HD21 LEU 88 HD21 LEU 88 14.530 7.559 -7.475 665 HD22 LEU 88 HD22 LEU 88 15.086 7.747 -5.812 666 HD23 LEU 88 HD23 LEU 88 13.947 6.465 -6.222 667 H GLN 89 H GLN 89 13.446 5.786 -10.622 668 HA GLN 89 HA GLN 89 13.360 3.317 -12.119 669 HB2 GLN 89 HB3 GLN 89 13.142 6.198 -13.045 670 HB3 GLN 89 HB2 GLN 89 12.765 4.788 -14.036 671 HG2 GLN 89 HG3 GLN 89 11.068 4.099 -12.338 672 HG3 GLN 89 HG2 GLN 89 11.393 5.591 -11.454 673 HE21 GLN 89 HE21 GLN 89 11.825 6.429 -14.627 674 HE22 GLN 89 HE22 GLN 89 10.257 6.957 -15.002 675 H3 7V9 101 1H1 NIA 101 -12.338 3.359 9.180 676 H4 7V9 101 2H1 NIA 101 -11.368 4.162 10.415 677 H5 7V9 101 1HE1 NIA 101 -8.862 3.773 10.128 678 H6 7V9 101 2HE1 NIA 101 -8.405 2.069 10.141 679 H7 7V9 101 3HE1 NIA 101 -9.430 2.717 11.421 680 H8 7V9 101 2HE2 NIA 101 -9.350 1.152 8.208 681 H9 7V9 101 3HE2 NIA 101 -9.500 2.818 7.653 682 H10 7V9 101 1HE2 NIA 101 -10.887 1.732 7.569 683 H11 7V9 101 3H NIA 101 -11.760 0.747 9.474 684 H12 7V9 101 3HO NIA 101 -11.581 2.443 11.741 685 H13 7V9 101 5H NIA 101 -8.388 0.166 10.127 686 H14 7V9 101 1H6 NIA 101 -9.969 -2.198 9.937 687 H15 7V9 101 2H6 NIA 101 -10.423 -1.119 8.618 688 H16 7V9 101 1H7 NIA 101 -7.704 -2.317 9.188 689 H17 7V9 101 2H7 NIA 101 -7.926 -0.963 8.079 690 H18 7V9 101 9H NIA 101 -7.105 -2.581 6.434 691 H19 7V9 101 1H10 NIA 101 -9.453 -4.063 5.332 692 H20 7V9 101 2H10 NIA 101 -8.641 -2.834 4.363 693 H21 7V9 101 1H11 NIA 101 -7.975 -5.563 4.531 694 H22 7V9 101 2H11 NIA 101 -6.721 -4.722 5.441 695 H25 7V9 101 5H1 NIA 101 -3.079 -3.499 3.187 696 H26 7V9 101 7H1 NIA 101 -2.452 -3.720 -0.952 697 H27 7V9 101 8H1 NIA 101 -4.614 -4.899 -1.252 698 H28 7V9 101 9H1 NIA 101 -5.997 -5.432 0.725 Start of MODEL 17 1 H1 MET 1 H1 MET 1 15.103 -4.551 -6.634 2 H2 MET 1 H2 MET 1 15.396 -2.894 -6.397 3 H3 MET 1 H3 MET 1 14.037 -3.402 -7.281 4 HA MET 1 HA MET 1 14.369 -4.262 -4.490 5 HB2 MET 1 HB3 MET 1 12.914 -2.238 -3.921 6 HB3 MET 1 HB2 MET 1 14.605 -1.887 -4.272 7 HG2 MET 1 HG3 MET 1 12.440 -1.758 -6.382 8 HG3 MET 1 HG2 MET 1 12.903 -0.364 -5.408 9 HE1 MET 1 HE1 MET 1 16.249 0.653 -6.260 10 HE2 MET 1 HE2 MET 1 16.369 -0.805 -5.279 11 HE3 MET 1 HE3 MET 1 15.063 0.339 -4.986 12 H GLN 2 H GLN 2 11.727 -3.528 -3.858 13 HA GLN 2 HA GLN 2 10.261 -5.588 -5.348 14 HB2 GLN 2 HB3 GLN 2 9.413 -3.782 -3.061 15 HB3 GLN 2 HB2 GLN 2 8.440 -5.095 -3.722 16 HG2 GLN 2 HG3 GLN 2 10.193 -6.713 -3.127 17 HG3 GLN 2 HG2 GLN 2 11.191 -5.406 -2.488 18 HE21 GLN 2 HE21 GLN 2 9.661 -7.815 -1.180 19 HE22 GLN 2 HE22 GLN 2 8.846 -7.087 0.119 20 H HIS 3 H HIS 3 11.056 -2.864 -6.520 21 HA HIS 3 HA HIS 3 10.087 -1.314 -7.989 22 HB2 HIS 3 HB3 HIS 3 7.618 -3.072 -7.903 23 HB3 HIS 3 HB2 HIS 3 8.125 -1.986 -9.194 24 HD1 HIS 3 HD1 HIS 3 8.799 -5.367 -7.733 25 HD2 HIS 3 HD2 HIS 3 10.255 -2.982 -10.831 26 HE1 HIS 3 HE1 HIS 3 10.257 -6.865 -9.168 27 HE2 HIS 3 HE2 HIS 3 11.147 -5.423 -11.055 28 H ALA 4 H ALA 4 9.985 -0.761 -5.263 29 HA ALA 4 HA ALA 4 7.460 -0.164 -4.162 30 HB1 ALA 4 HB1 ALA 4 9.465 1.893 -3.608 31 HB2 ALA 4 HB2 ALA 4 10.107 0.259 -3.434 32 HB3 ALA 4 HB3 ALA 4 8.693 0.755 -2.503 33 H SER 5 H SER 5 9.397 1.639 -6.516 34 HA SER 5 HA SER 5 7.923 4.068 -6.457 35 HB2 SER 5 HB3 SER 5 9.178 2.757 -8.886 36 HB3 SER 5 HB2 SER 5 8.797 4.467 -8.700 37 HG SER 5 HG SER 5 10.215 3.929 -6.627 38 H VAL 6 H VAL 6 7.345 1.025 -8.180 39 HA VAL 6 HA VAL 6 5.064 1.973 -9.662 40 HB VAL 6 HB VAL 6 5.898 -0.807 -8.821 41 HG11 VAL 6 HG11 VAL 6 4.263 -1.515 -10.624 42 HG12 VAL 6 HG12 VAL 6 3.646 0.138 -10.613 43 HG13 VAL 6 HG13 VAL 6 3.513 -0.864 -9.167 44 HG21 VAL 6 HG21 VAL 6 5.891 0.298 -11.614 45 HG22 VAL 6 HG22 VAL 6 6.891 -0.983 -10.931 46 HG23 VAL 6 HG23 VAL 6 7.218 0.701 -10.525 47 H ILE 7 H ILE 7 5.477 0.414 -6.516 48 HA ILE 7 HA ILE 7 2.746 -0.032 -5.911 49 HB ILE 7 HB ILE 7 5.021 0.708 -4.049 50 HG12 ILE 7 HG13 ILE 7 3.879 -2.003 -4.796 51 HG13 ILE 7 HG12 ILE 7 5.367 -1.331 -5.466 52 HG21 ILE 7 HG21 ILE 7 3.218 -0.925 -2.702 53 HG22 ILE 7 HG22 ILE 7 2.177 0.168 -3.614 54 HG23 ILE 7 HG23 ILE 7 3.377 0.820 -2.499 55 HD11 ILE 7 HD11 ILE 7 4.960 -2.665 -2.931 56 HD12 ILE 7 HD12 ILE 7 5.593 -1.039 -2.671 57 HD13 ILE 7 HD13 ILE 7 6.472 -2.175 -3.697 58 H ALA 8 H ALA 8 4.801 2.787 -5.141 59 HA ALA 8 HA ALA 8 2.718 4.331 -3.936 60 HB1 ALA 8 HB1 ALA 8 4.224 6.280 -4.408 61 HB2 ALA 8 HB2 ALA 8 5.264 5.196 -5.332 62 HB3 ALA 8 HB3 ALA 8 5.044 4.943 -3.601 63 H GLN 9 H GLN 9 3.972 4.277 -7.269 64 HA GLN 9 HA GLN 9 2.117 6.266 -8.211 65 HB2 GLN 9 HB3 GLN 9 3.215 6.077 -10.191 66 HB3 GLN 9 HB2 GLN 9 4.369 5.140 -9.249 67 HG2 GLN 9 HG3 GLN 9 3.896 3.776 -11.116 68 HG3 GLN 9 HG2 GLN 9 2.907 3.099 -9.830 69 HE21 GLN 9 HE21 GLN 9 0.994 2.438 -10.865 70 HE22 GLN 9 HE22 GLN 9 0.072 3.420 -11.897 71 H PHE 10 H PHE 10 1.988 2.763 -7.941 72 HA PHE 10 HA PHE 10 -0.342 2.379 -9.559 73 HB2 PHE 10 HB3 PHE 10 1.186 0.555 -8.771 74 HB3 PHE 10 HB2 PHE 10 0.526 0.760 -7.149 75 HD1 PHE 10 HD1 PHE 10 -1.718 0.032 -6.600 76 HD2 PHE 10 HD2 PHE 10 -0.206 -0.303 -10.605 77 HE1 PHE 10 HE1 PHE 10 -3.620 -1.442 -7.194 78 HE2 PHE 10 HE2 PHE 10 -2.109 -1.777 -11.201 79 HZ PHE 10 HZ PHE 10 -3.813 -2.348 -9.496 80 H VAL 11 H VAL 11 -0.006 2.711 -6.016 81 HA VAL 11 HA VAL 11 -2.873 2.824 -5.608 82 HB VAL 11 HB VAL 11 -2.313 3.320 -3.299 83 HG11 VAL 11 HG11 VAL 11 -0.603 1.466 -2.904 84 HG12 VAL 11 HG12 VAL 11 -0.499 1.321 -4.659 85 HG13 VAL 11 HG13 VAL 11 -2.029 1.011 -3.838 86 HG21 VAL 11 HG21 VAL 11 0.355 4.014 -4.508 87 HG22 VAL 11 HG22 VAL 11 0.245 3.524 -2.817 88 HG23 VAL 11 HG23 VAL 11 -0.624 4.952 -3.380 89 H VAL 12 H VAL 12 -0.275 5.248 -5.789 90 HA VAL 12 HA VAL 12 -1.848 7.513 -5.074 91 HB VAL 12 HB VAL 12 0.570 7.284 -6.866 92 HG11 VAL 12 HG11 VAL 12 0.763 9.780 -6.263 93 HG12 VAL 12 HG12 VAL 12 -0.938 9.677 -5.810 94 HG13 VAL 12 HG13 VAL 12 -0.446 9.343 -7.471 95 HG21 VAL 12 HG21 VAL 12 0.561 8.510 -4.138 96 HG22 VAL 12 HG22 VAL 12 1.845 7.623 -4.962 97 HG23 VAL 12 HG23 VAL 12 0.486 6.751 -4.252 98 H GLU 13 H GLU 13 -1.327 5.926 -8.189 99 HA GLU 13 HA GLU 13 -2.517 7.860 -9.871 100 HB2 GLU 13 HB3 GLU 13 -1.325 5.782 -10.626 101 HB3 GLU 13 HB2 GLU 13 -2.751 4.863 -10.165 102 HG2 GLU 13 HG3 GLU 13 -4.109 6.287 -11.712 103 HG3 GLU 13 HG2 GLU 13 -2.609 7.043 -12.245 104 H GLU 14 H GLU 14 -3.999 5.356 -7.867 105 HA GLU 14 HA GLU 14 -6.665 5.694 -8.885 106 HB2 GLU 14 HB3 GLU 14 -5.674 4.647 -6.222 107 HB3 GLU 14 HB2 GLU 14 -7.344 4.533 -6.776 108 HG2 GLU 14 HG3 GLU 14 -4.950 3.382 -8.240 109 HG3 GLU 14 HG2 GLU 14 -6.063 2.451 -7.239 110 H PHE 15 H PHE 15 -4.889 7.284 -6.254 111 HA PHE 15 HA PHE 15 -7.317 8.766 -5.470 112 HB2 PHE 15 HB3 PHE 15 -4.487 9.068 -4.430 113 HB3 PHE 15 HB2 PHE 15 -5.960 9.687 -3.682 114 HD1 PHE 15 HD1 PHE 15 -3.732 6.900 -3.951 115 HD2 PHE 15 HD2 PHE 15 -7.784 7.977 -3.035 116 HE1 PHE 15 HE1 PHE 15 -4.045 4.726 -2.809 117 HE2 PHE 15 HE2 PHE 15 -8.100 5.803 -1.883 118 HZ PHE 15 HZ PHE 15 -6.230 4.175 -1.772 119 H LEU 16 H LEU 16 -3.989 9.816 -6.329 120 HA LEU 16 HA LEU 16 -5.245 12.131 -7.756 121 HB2 LEU 16 HB3 LEU 16 -3.199 12.060 -5.624 122 HB3 LEU 16 HB2 LEU 16 -2.829 13.120 -6.985 123 HG LEU 16 HG LEU 16 -5.506 13.155 -5.577 124 HD11 LEU 16 HD11 LEU 16 -2.900 14.350 -4.816 125 HD12 LEU 16 HD12 LEU 16 -4.294 13.957 -3.811 126 HD13 LEU 16 HD13 LEU 16 -4.287 15.439 -4.766 127 HD21 LEU 16 HD21 LEU 16 -6.032 14.719 -7.116 128 HD22 LEU 16 HD22 LEU 16 -4.539 14.302 -7.958 129 HD23 LEU 16 HD23 LEU 16 -4.551 15.616 -6.781 130 HA PRO 17 HA PRO 17 -2.353 10.008 -10.638 131 HB2 PRO 17 HB3 PRO 17 -4.080 9.868 -12.746 132 HB3 PRO 17 HB2 PRO 17 -4.005 8.646 -11.466 133 HG2 PRO 17 HG3 PRO 17 -6.011 10.740 -11.948 134 HG3 PRO 17 HG2 PRO 17 -6.174 9.172 -11.147 135 HD2 PRO 17 HD3 PRO 17 -5.951 11.691 -9.876 136 HD3 PRO 17 HD2 PRO 17 -5.849 10.100 -9.096 137 H ASP 18 H ASP 18 -4.233 12.927 -10.811 138 HA ASP 18 HA ASP 18 -3.036 13.916 -13.272 139 HB2 ASP 18 HB3 ASP 18 -4.566 15.283 -11.053 140 HB3 ASP 18 HB2 ASP 18 -4.050 16.089 -12.530 141 H VAL 19 H VAL 19 -1.847 13.389 -10.224 142 HA VAL 19 HA VAL 19 0.135 15.618 -10.449 143 HB VAL 19 HB VAL 19 -0.603 13.992 -7.995 144 HG11 VAL 19 HG11 VAL 19 1.318 16.226 -8.576 145 HG12 VAL 19 HG12 VAL 19 1.551 14.784 -7.587 146 HG13 VAL 19 HG13 VAL 19 0.576 16.122 -6.979 147 HG21 VAL 19 HG21 VAL 19 -1.229 16.844 -7.965 148 HG22 VAL 19 HG22 VAL 19 -2.261 15.470 -7.568 149 HG23 VAL 19 HG23 VAL 19 -2.098 15.995 -9.244 150 H ALA 20 H ALA 20 2.337 15.032 -10.484 151 HA ALA 20 HA ALA 20 2.988 12.435 -11.424 152 HB1 ALA 20 HB1 ALA 20 4.388 14.881 -10.842 153 HB2 ALA 20 HB2 ALA 20 4.870 13.567 -11.916 154 HB3 ALA 20 HB3 ALA 20 5.307 13.516 -10.208 155 HA PRO 21 HA PRO 21 2.667 10.492 -7.345 156 HB2 PRO 21 HB3 PRO 21 3.579 7.993 -8.109 157 HB3 PRO 21 HB2 PRO 21 1.897 8.544 -8.235 158 HG2 PRO 21 HG3 PRO 21 3.968 8.299 -10.327 159 HG3 PRO 21 HG2 PRO 21 2.211 8.116 -10.438 160 HD2 PRO 21 HD3 PRO 21 3.589 10.328 -11.315 161 HD3 PRO 21 HD2 PRO 21 1.876 10.356 -10.838 162 H ALA 22 H ALA 22 5.541 10.361 -9.371 163 HA ALA 22 HA ALA 22 7.337 9.453 -7.290 164 HB1 ALA 22 HB1 ALA 22 9.108 10.401 -8.854 165 HB2 ALA 22 HB2 ALA 22 7.789 10.896 -9.915 166 HB3 ALA 22 HB3 ALA 22 8.049 9.187 -9.571 167 H ASP 23 H ASP 23 5.760 12.403 -7.922 168 HA ASP 23 HA ASP 23 7.784 14.086 -6.605 169 HB2 ASP 23 HB3 ASP 23 4.983 14.674 -7.614 170 HB3 ASP 23 HB2 ASP 23 6.054 15.881 -6.901 171 H VAL 24 H VAL 24 5.732 11.840 -5.490 172 HA VAL 24 HA VAL 24 4.795 13.410 -3.145 173 HB VAL 24 HB VAL 24 4.216 10.530 -3.909 174 HG11 VAL 24 HG11 VAL 24 2.171 11.487 -2.313 175 HG12 VAL 24 HG12 VAL 24 3.601 12.222 -1.588 176 HG13 VAL 24 HG13 VAL 24 3.500 10.469 -1.759 177 HG21 VAL 24 HG21 VAL 24 3.399 12.453 -5.459 178 HG22 VAL 24 HG22 VAL 24 2.311 12.860 -4.132 179 HG23 VAL 24 HG23 VAL 24 2.208 11.277 -4.902 180 H ASP 25 H ASP 25 5.727 13.119 -1.145 181 HA ASP 25 HA ASP 25 8.272 11.765 -0.996 182 HB2 ASP 25 HB3 ASP 25 6.480 12.928 1.156 183 HB3 ASP 25 HB2 ASP 25 8.111 12.326 1.447 184 H VAL 26 H VAL 26 7.646 9.571 -1.636 185 HA VAL 26 HA VAL 26 5.740 8.006 -0.167 186 HB VAL 26 HB VAL 26 6.812 6.072 -1.194 187 HG11 VAL 26 HG11 VAL 26 5.438 7.504 -2.654 188 HG12 VAL 26 HG12 VAL 26 6.779 6.800 -3.558 189 HG13 VAL 26 HG13 VAL 26 6.854 8.483 -3.036 190 HG21 VAL 26 HG21 VAL 26 9.113 6.307 -0.953 191 HG22 VAL 26 HG22 VAL 26 9.093 8.004 -1.435 192 HG23 VAL 26 HG23 VAL 26 8.925 6.739 -2.653 193 H ASP 27 H ASP 27 8.510 9.435 0.945 194 HA ASP 27 HA ASP 27 9.179 7.235 2.825 195 HB2 ASP 27 HB3 ASP 27 11.156 8.567 3.357 196 HB3 ASP 27 HB2 ASP 27 11.036 8.367 1.613 197 H LEU 28 H LEU 28 6.896 9.456 2.714 198 HA LEU 28 HA LEU 28 7.281 10.648 5.393 199 HB2 LEU 28 HB3 LEU 28 6.353 12.001 3.506 200 HB3 LEU 28 HB2 LEU 28 4.953 10.934 3.477 201 HG LEU 28 HG LEU 28 4.571 11.496 5.906 202 HD11 LEU 28 HD11 LEU 28 6.941 13.237 5.315 203 HD12 LEU 28 HD12 LEU 28 6.563 12.321 6.773 204 HD13 LEU 28 HD13 LEU 28 5.712 13.828 6.432 205 HD21 LEU 28 HD21 LEU 28 3.397 12.619 3.973 206 HD22 LEU 28 HD22 LEU 28 4.593 13.912 4.074 207 HD23 LEU 28 HD23 LEU 28 3.502 13.611 5.427 208 H ASP 29 H ASP 29 5.947 10.146 7.174 209 HA ASP 29 HA ASP 29 5.004 7.472 7.345 210 HB2 ASP 29 HB3 ASP 29 4.302 9.908 9.017 211 HB3 ASP 29 HB2 ASP 29 3.865 8.252 9.443 212 H LEU 30 H LEU 30 3.230 6.635 6.415 213 HA LEU 30 HA LEU 30 1.363 8.184 4.941 214 HB2 LEU 30 HB3 LEU 30 1.006 5.398 6.075 215 HB3 LEU 30 HB2 LEU 30 0.054 6.109 4.775 216 HG LEU 30 HG LEU 30 3.036 5.567 4.715 217 HD11 LEU 30 HD11 LEU 30 0.876 3.859 4.268 218 HD12 LEU 30 HD12 LEU 30 2.530 3.609 3.718 219 HD13 LEU 30 HD13 LEU 30 1.355 4.377 2.651 220 HD21 LEU 30 HD21 LEU 30 2.861 7.419 3.328 221 HD22 LEU 30 HD22 LEU 30 1.173 7.095 2.935 222 HD23 LEU 30 HD23 LEU 30 2.452 6.145 2.179 223 H VAL 31 H VAL 31 1.601 7.734 8.317 224 HA VAL 31 HA VAL 31 -1.072 7.594 9.146 225 HB VAL 31 HB VAL 31 1.270 9.123 10.293 226 HG11 VAL 31 HG11 VAL 31 -0.557 10.427 11.055 227 HG12 VAL 31 HG12 VAL 31 -0.280 9.274 12.360 228 HG13 VAL 31 HG13 VAL 31 -1.602 9.016 11.221 229 HG21 VAL 31 HG21 VAL 31 0.670 6.466 10.313 230 HG22 VAL 31 HG22 VAL 31 -0.162 6.993 11.774 231 HG23 VAL 31 HG23 VAL 31 1.571 7.269 11.599 232 H ASP 32 H ASP 32 0.758 10.467 8.125 233 HA ASP 32 HA ASP 32 -1.336 12.366 8.471 234 HB2 ASP 32 HB3 ASP 32 1.081 12.881 7.861 235 HB3 ASP 32 HB2 ASP 32 0.697 12.370 6.218 236 H ASN 33 H ASN 33 -0.596 10.045 5.951 237 HA ASN 33 HA ASN 33 -2.843 10.915 4.266 238 HB2 ASN 33 HB3 ASN 33 -1.074 8.481 3.969 239 HB3 ASN 33 HB2 ASN 33 -2.100 9.197 2.730 240 HD21 ASN 33 HD21 ASN 33 -1.428 11.986 3.373 241 HD22 ASN 33 HD22 ASN 33 0.178 12.230 2.881 242 H GLY 34 H GLY 34 -3.022 9.682 7.095 243 HA2 GLY 34 HA3 GLY 34 -4.012 7.117 7.207 244 HA3 GLY 34 HA2 GLY 34 -4.739 8.431 8.134 245 H VAL 35 H VAL 35 -5.323 9.718 5.375 246 HA VAL 35 HA VAL 35 -8.051 9.035 5.169 247 HB VAL 35 HB VAL 35 -6.110 10.077 3.087 248 HG11 VAL 35 HG11 VAL 35 -7.694 9.457 1.580 249 HG12 VAL 35 HG12 VAL 35 -8.618 10.809 2.235 250 HG13 VAL 35 HG13 VAL 35 -8.904 9.174 2.832 251 HG21 VAL 35 HG21 VAL 35 -8.360 11.454 4.585 252 HG22 VAL 35 HG22 VAL 35 -7.136 12.216 3.569 253 HG23 VAL 35 HG23 VAL 35 -6.675 11.486 5.106 254 H ILE 36 H ILE 36 -5.215 7.630 3.590 255 HA ILE 36 HA ILE 36 -6.689 5.809 1.906 256 HB ILE 36 HB ILE 36 -4.175 6.580 1.807 257 HG12 ILE 36 HG13 ILE 36 -5.183 3.775 1.259 258 HG13 ILE 36 HG12 ILE 36 -5.060 5.119 0.121 259 HG21 ILE 36 HG21 ILE 36 -2.619 5.236 2.970 260 HG22 ILE 36 HG22 ILE 36 -3.830 4.011 3.349 261 HG23 ILE 36 HG23 ILE 36 -3.865 5.569 4.173 262 HD11 ILE 36 HD11 ILE 36 -2.905 3.352 1.209 263 HD12 ILE 36 HD12 ILE 36 -2.498 5.025 0.823 264 HD13 ILE 36 HD13 ILE 36 -3.135 3.960 -0.430 265 H ASP 37 H ASP 37 -5.695 5.796 5.228 266 HA ASP 37 HA ASP 37 -5.598 3.041 5.796 267 HB2 ASP 37 HB3 ASP 37 -5.043 4.936 7.369 268 HB3 ASP 37 HB2 ASP 37 -6.776 5.148 7.618 269 H SER 38 H SER 38 -8.429 5.125 5.366 270 HA SER 38 HA SER 38 -10.147 2.738 5.913 271 HB2 SER 38 2HB SER 38 -10.740 5.692 6.127 272 HB3 SER 38 1HB SER 38 -11.972 4.440 6.256 273 H LEU 39 H LEU 39 -10.435 5.732 3.960 274 HA LEU 39 HA LEU 39 -12.235 4.542 2.095 275 HB2 LEU 39 HB3 LEU 39 -10.439 6.950 1.894 276 HB3 LEU 39 HB2 LEU 39 -11.558 6.494 0.617 277 HG LEU 39 HG LEU 39 -13.338 6.462 2.517 278 HD11 LEU 39 HD11 LEU 39 -11.088 8.060 3.759 279 HD12 LEU 39 HD12 LEU 39 -11.937 6.676 4.448 280 HD13 LEU 39 HD13 LEU 39 -12.769 8.219 4.266 281 HD21 LEU 39 HD21 LEU 39 -13.783 8.840 2.147 282 HD22 LEU 39 HD22 LEU 39 -13.226 8.093 0.650 283 HD23 LEU 39 HD23 LEU 39 -12.122 9.083 1.606 284 H GLY 40 H GLY 40 -8.744 5.191 1.808 285 HA2 GLY 40 HA3 GLY 40 -8.527 3.869 -0.748 286 HA3 GLY 40 HA2 GLY 40 -7.181 4.310 0.296 287 H LEU 41 H LEU 41 -7.947 2.852 2.597 288 HA LEU 41 HA LEU 41 -6.816 0.314 2.044 289 HB2 LEU 41 HB3 LEU 41 -6.945 1.401 4.300 290 HB3 LEU 41 HB2 LEU 41 -8.665 1.015 4.342 291 HG LEU 41 HG LEU 41 -6.885 -1.260 3.689 292 HD11 LEU 41 HD11 LEU 41 -5.428 -0.475 5.346 293 HD12 LEU 41 HD12 LEU 41 -6.533 -1.486 6.278 294 HD13 LEU 41 HD13 LEU 41 -6.731 0.266 6.277 295 HD21 LEU 41 HD21 LEU 41 -9.299 -1.537 4.015 296 HD22 LEU 41 HD22 LEU 41 -9.189 -0.804 5.615 297 HD23 LEU 41 HD23 LEU 41 -8.432 -2.366 5.306 298 H LEU 42 H LEU 42 -10.210 1.323 2.297 299 HA LEU 42 HA LEU 42 -11.314 -1.318 2.017 300 HB2 LEU 42 HB3 LEU 42 -12.584 0.704 2.814 301 HB3 LEU 42 HB2 LEU 42 -12.565 1.306 1.164 302 HG LEU 42 HG LEU 42 -13.584 -1.022 0.557 303 HD11 LEU 42 HD11 LEU 42 -14.917 -0.958 3.176 304 HD12 LEU 42 HD12 LEU 42 -13.221 -1.429 3.250 305 HD13 LEU 42 HD13 LEU 42 -14.343 -2.337 2.240 306 HD21 LEU 42 HD21 LEU 42 -15.889 -0.102 1.195 307 HD22 LEU 42 HD22 LEU 42 -14.873 0.963 0.226 308 HD23 LEU 42 HD23 LEU 42 -15.031 1.236 1.961 309 H LYS 43 H LYS 43 -10.583 1.242 -0.356 310 HA LYS 43 HA LYS 43 -11.547 -0.185 -2.639 311 HB2 LYS 43 HB3 LYS 43 -9.437 1.963 -2.394 312 HB3 LYS 43 HB2 LYS 43 -10.116 1.406 -3.919 313 HG2 LYS 43 HG3 LYS 43 -12.388 2.026 -3.090 314 HG3 LYS 43 HG2 LYS 43 -11.641 2.689 -1.636 315 HD2 LYS 43 HD3 LYS 43 -10.288 4.216 -3.079 316 HD3 LYS 43 HD2 LYS 43 -11.168 3.612 -4.485 317 HE2 LYS 43 HE3 LYS 43 -12.316 5.596 -3.857 318 HE3 LYS 43 HE2 LYS 43 -13.307 4.281 -3.227 319 HZ1 LYS 43 HZ1 LYS 43 -12.588 6.303 -1.732 320 HZ2 LYS 43 HZ2 LYS 43 -11.202 5.348 -1.503 321 HZ3 LYS 43 HZ3 LYS 43 -12.734 4.738 -1.094 322 H VAL 44 H VAL 44 -8.391 -0.093 -1.034 323 HA VAL 44 HA VAL 44 -6.930 -1.524 -3.018 324 HB VAL 44 HB VAL 44 -6.570 -1.358 -0.016 325 HG11 VAL 44 HG11 VAL 44 -4.109 -1.942 -1.139 326 HG12 VAL 44 HG12 VAL 44 -5.209 -2.978 -2.048 327 HG13 VAL 44 HG13 VAL 44 -5.142 -3.092 -0.289 328 HG21 VAL 44 HG21 VAL 44 -6.161 0.492 -2.110 329 HG22 VAL 44 HG22 VAL 44 -4.559 -0.100 -1.674 330 HG23 VAL 44 HG23 VAL 44 -5.593 0.630 -0.446 331 H ILE 45 H ILE 45 -8.768 -2.688 -0.197 332 HA ILE 45 HA ILE 45 -8.110 -5.444 -0.510 333 HB ILE 45 HB ILE 45 -10.193 -3.866 0.906 334 HG12 ILE 45 HG13 ILE 45 -9.438 -5.361 2.766 335 HG13 ILE 45 HG12 ILE 45 -8.358 -6.170 1.634 336 HG21 ILE 45 HG21 ILE 45 -11.296 -6.081 1.566 337 HG22 ILE 45 HG22 ILE 45 -10.517 -6.772 0.144 338 HG23 ILE 45 HG23 ILE 45 -11.684 -5.461 -0.037 339 HD11 ILE 45 HD11 ILE 45 -7.045 -4.515 2.774 340 HD12 ILE 45 HD12 ILE 45 -8.272 -3.276 2.512 341 HD13 ILE 45 HD13 ILE 45 -7.338 -3.895 1.151 342 H ALA 46 H ALA 46 -10.970 -3.618 -1.654 343 HA ALA 46 HA ALA 46 -12.105 -5.846 -3.069 344 HB1 ALA 46 HB1 ALA 46 -13.419 -3.854 -2.424 345 HB2 ALA 46 HB2 ALA 46 -13.529 -4.158 -4.158 346 HB3 ALA 46 HB3 ALA 46 -12.480 -2.875 -3.552 347 H TRP 47 H TRP 47 -9.806 -3.321 -4.013 348 HA TRP 47 HA TRP 47 -9.890 -3.878 -6.833 349 HB2 TRP 47 HB3 TRP 47 -8.838 -1.856 -6.426 350 HB3 TRP 47 HB2 TRP 47 -8.002 -2.461 -4.994 351 HD1 TRP 47 HD1 TRP 47 -7.860 -2.644 -8.830 352 HE1 TRP 47 HE1 TRP 47 -5.468 -3.309 -9.527 353 HE3 TRP 47 HE3 TRP 47 -5.818 -3.531 -4.235 354 HZ2 TRP 47 HZ2 TRP 47 -3.011 -4.111 -8.294 355 HZ3 TRP 47 HZ3 TRP 47 -3.454 -4.242 -4.024 356 HH2 TRP 47 HH2 TRP 47 -2.049 -4.533 -6.046 357 H LEU 48 H LEU 48 -7.777 -5.044 -4.217 358 HA LEU 48 HA LEU 48 -6.023 -6.589 -5.798 359 HB2 LEU 48 HB3 LEU 48 -5.798 -6.095 -3.340 360 HB3 LEU 48 HB2 LEU 48 -7.042 -7.296 -3.034 361 HG LEU 48 HG LEU 48 -5.484 -8.832 -4.499 362 HD11 LEU 48 HD11 LEU 48 -4.031 -6.581 -4.696 363 HD12 LEU 48 HD12 LEU 48 -3.293 -8.184 -4.720 364 HD13 LEU 48 HD13 LEU 48 -3.318 -7.244 -3.228 365 HD21 LEU 48 HD21 LEU 48 -5.736 -9.643 -2.361 366 HD22 LEU 48 HD22 LEU 48 -5.419 -8.073 -1.622 367 HD23 LEU 48 HD23 LEU 48 -4.078 -9.062 -2.202 368 H GLU 49 H GLU 49 -9.152 -7.491 -4.337 369 HA GLU 49 HA GLU 49 -9.100 -10.208 -5.272 370 HB2 GLU 49 HB3 GLU 49 -10.614 -9.435 -3.475 371 HB3 GLU 49 HB2 GLU 49 -11.483 -8.443 -4.637 372 HG2 GLU 49 HG3 GLU 49 -12.026 -10.484 -5.933 373 HG3 GLU 49 HG2 GLU 49 -11.224 -11.452 -4.703 374 H ASP 50 H ASP 50 -10.327 -7.190 -6.664 375 HA ASP 50 HA ASP 50 -11.636 -8.369 -8.913 376 HB2 ASP 50 HB3 ASP 50 -11.901 -5.999 -8.114 377 HB3 ASP 50 HB2 ASP 50 -10.316 -5.659 -8.804 378 H ARG 51 H ARG 51 -8.307 -7.206 -8.475 379 HA ARG 51 HA ARG 51 -7.631 -7.902 -11.249 380 HB2 ARG 51 HB3 ARG 51 -6.667 -5.902 -10.126 381 HB3 ARG 51 HB2 ARG 51 -5.827 -6.972 -9.002 382 HG2 ARG 51 HG3 ARG 51 -4.681 -8.056 -10.917 383 HG3 ARG 51 HG2 ARG 51 -5.481 -6.932 -12.015 384 HD2 ARG 51 HD3 ARG 51 -4.435 -5.037 -10.764 385 HD3 ARG 51 HD2 ARG 51 -3.550 -6.212 -9.791 386 HE ARG 51 HE ARG 51 -3.160 -6.585 -12.657 387 HH11 ARG 51 HH11 ARG 51 -1.077 -6.143 -13.416 388 HH12 ARG 51 HH12 ARG 51 0.027 -5.262 -12.415 389 HH21 ARG 51 HH21 ARG 51 -2.219 -4.906 -9.796 390 HH22 ARG 51 HH22 ARG 51 -0.620 -4.561 -10.366 391 H PHE 52 H PHE 52 -6.291 -8.913 -8.070 392 HA PHE 52 HA PHE 52 -4.940 -11.170 -9.311 393 HB2 PHE 52 HB3 PHE 52 -5.315 -10.349 -6.425 394 HB3 PHE 52 HB2 PHE 52 -4.333 -11.717 -6.941 395 HD1 PHE 52 HD1 PHE 52 -2.299 -11.371 -8.312 396 HD2 PHE 52 HD2 PHE 52 -4.586 -8.073 -6.784 397 HE1 PHE 52 HE1 PHE 52 -0.408 -9.838 -8.790 398 HE2 PHE 52 HE2 PHE 52 -2.695 -6.540 -7.261 399 HZ PHE 52 HZ PHE 52 -0.606 -7.423 -8.265 400 H GLY 53 H GLY 53 -8.078 -10.727 -7.870 401 HA2 GLY 53 HA3 GLY 53 -9.838 -12.328 -7.809 402 HA3 GLY 53 HA2 GLY 53 -8.719 -13.521 -8.467 403 H ILE 54 H ILE 54 -7.951 -11.611 -5.631 404 HA ILE 54 HA ILE 54 -7.943 -14.130 -4.036 405 HB ILE 54 HB ILE 54 -6.597 -11.472 -3.464 406 HG12 ILE 54 HG13 ILE 54 -5.321 -14.046 -4.419 407 HG13 ILE 54 HG12 ILE 54 -5.794 -12.752 -5.520 408 HG21 ILE 54 HG21 ILE 54 -5.271 -13.498 -2.120 409 HG22 ILE 54 HG22 ILE 54 -6.964 -13.967 -1.968 410 HG23 ILE 54 HG23 ILE 54 -6.433 -12.385 -1.399 411 HD11 ILE 54 HD11 ILE 54 -3.979 -12.317 -3.137 412 HD12 ILE 54 HD12 ILE 54 -4.310 -11.190 -4.453 413 HD13 ILE 54 HD13 ILE 54 -3.380 -12.658 -4.761 414 H ALA 55 H ALA 55 -9.103 -14.235 -2.099 415 HA ALA 55 HA ALA 55 -11.423 -12.602 -1.819 416 HB1 ALA 55 HB1 ALA 55 -11.015 -13.627 0.708 417 HB2 ALA 55 HB2 ALA 55 -10.116 -14.760 -0.300 418 HB3 ALA 55 HB3 ALA 55 -11.831 -14.478 -0.603 419 H ALA 56 H ALA 56 -11.889 -11.001 -0.168 420 HA ALA 56 HA ALA 56 -9.948 -8.987 0.125 421 HB1 ALA 56 HB1 ALA 56 -12.460 -9.642 1.652 422 HB2 ALA 56 HB2 ALA 56 -12.164 -8.310 0.535 423 HB3 ALA 56 HB3 ALA 56 -11.442 -8.289 2.144 424 H ASP 57 H ASP 57 -10.754 -11.659 2.325 425 HA ASP 57 HA ASP 57 -9.623 -12.438 4.234 426 HB2 ASP 57 HB3 ASP 57 -7.310 -11.351 2.617 427 HB3 ASP 57 HB2 ASP 57 -7.132 -12.386 4.032 428 H ASP 58 H ASP 58 -10.817 -9.997 4.703 429 HA ASP 58 HA ASP 58 -9.102 -7.904 5.563 430 HB2 ASP 58 HB3 ASP 58 -11.829 -8.744 6.554 431 HB3 ASP 58 HB2 ASP 58 -11.036 -7.243 7.026 432 H VAL 59 H VAL 59 -7.866 -7.649 7.367 433 HA VAL 59 HA VAL 59 -8.138 -9.678 9.546 434 HB VAL 59 HB VAL 59 -5.557 -8.476 8.533 435 HG11 VAL 59 HG11 VAL 59 -6.025 -10.800 10.414 436 HG12 VAL 59 HG12 VAL 59 -5.692 -9.158 10.962 437 HG13 VAL 59 HG13 VAL 59 -4.483 -10.038 10.027 438 HG21 VAL 59 HG21 VAL 59 -6.189 -9.954 6.818 439 HG22 VAL 59 HG22 VAL 59 -6.980 -11.062 7.940 440 HG23 VAL 59 HG23 VAL 59 -5.219 -10.983 7.873 441 H GLU 60 H GLU 60 -8.054 -8.840 11.632 442 HA GLU 60 HA GLU 60 -8.495 -6.012 11.958 443 HB2 GLU 60 HB3 GLU 60 -9.426 -7.674 13.522 444 HB3 GLU 60 HB2 GLU 60 -7.798 -8.107 14.034 445 HG2 GLU 60 HG3 GLU 60 -7.423 -5.817 14.817 446 HG3 GLU 60 HG2 GLU 60 -9.035 -5.366 14.287 447 H LEU 61 H LEU 61 -6.630 -4.994 11.035 448 HA LEU 61 HA LEU 61 -4.112 -5.356 12.597 449 HB2 LEU 61 HB3 LEU 61 -4.427 -4.141 9.840 450 HB3 LEU 61 HB2 LEU 61 -2.917 -4.547 10.651 451 HG LEU 61 HG LEU 61 -5.038 -6.461 9.678 452 HD11 LEU 61 HD11 LEU 61 -3.396 -7.225 8.155 453 HD12 LEU 61 HD12 LEU 61 -2.091 -6.431 9.039 454 HD13 LEU 61 HD13 LEU 61 -3.245 -5.468 8.116 455 HD21 LEU 61 HD21 LEU 61 -2.717 -6.839 11.558 456 HD22 LEU 61 HD22 LEU 61 -3.261 -8.168 10.536 457 HD23 LEU 61 HD23 LEU 61 -4.366 -7.446 11.706 458 H SER 62 H SER 62 -3.158 -3.541 13.520 459 HA SER 62 HA SER 62 -4.902 -1.261 13.983 460 HB2 SER 62 HB3 SER 62 -2.497 -2.359 15.140 461 HB3 SER 62 HB2 SER 62 -2.287 -0.634 14.852 462 HG SER 62 HG SER 62 -4.404 -1.912 16.253 463 HA PRO 63 HA PRO 63 -3.648 1.536 10.833 464 HB2 PRO 63 HB3 PRO 63 -3.149 3.836 12.325 465 HB3 PRO 63 HB2 PRO 63 -4.745 3.302 11.772 466 HG2 PRO 63 HG3 PRO 63 -3.473 3.023 14.435 467 HG3 PRO 63 HG2 PRO 63 -5.173 3.287 14.012 468 HD2 PRO 63 HD3 PRO 63 -4.238 0.862 14.809 469 HD3 PRO 63 HD2 PRO 63 -5.575 1.031 13.650 470 H GLU 64 H GLU 64 -1.522 1.077 13.564 471 HA GLU 64 HA GLU 64 0.728 2.578 12.663 472 HB2 GLU 64 HB3 GLU 64 0.605 0.066 14.334 473 HB3 GLU 64 HB2 GLU 64 2.042 1.057 14.138 474 HG2 GLU 64 HG3 GLU 64 0.796 2.994 15.047 475 HG3 GLU 64 HG2 GLU 64 -0.595 1.949 15.310 476 H HIS 65 H HIS 65 -0.454 -0.617 11.792 477 HA HIS 65 HA HIS 65 1.943 -1.511 10.474 478 HB2 HIS 65 HB3 HIS 65 0.286 -3.153 11.042 479 HB3 HIS 65 HB2 HIS 65 -0.966 -2.286 10.152 480 HD1 HIS 65 HD1 HIS 65 -1.167 -2.741 7.671 481 HD2 HIS 65 HD2 HIS 65 2.315 -4.363 9.297 482 HE1 HIS 65 HE1 HIS 65 -0.116 -4.155 5.849 483 HE2 HIS 65 HE2 HIS 65 2.006 -5.142 6.826 484 H PHE 66 H PHE 66 -0.677 0.595 9.503 485 HA PHE 66 HA PHE 66 0.252 0.529 6.681 486 HB2 PHE 66 HB3 PHE 66 -2.045 2.100 7.887 487 HB3 PHE 66 HB2 PHE 66 -1.758 1.775 6.176 488 HD1 PHE 66 HD1 PHE 66 -2.497 -0.255 5.167 489 HD2 PHE 66 HD2 PHE 66 -2.500 0.155 9.441 490 HE1 PHE 66 HE1 PHE 66 -3.747 -2.389 5.374 491 HE2 PHE 66 HE2 PHE 66 -3.750 -1.973 9.649 492 HZ PHE 66 HZ PHE 66 -4.373 -3.247 7.617 493 H ARG 67 H ARG 67 1.174 2.041 9.424 494 HA ARG 67 HA ARG 67 1.245 4.804 8.859 495 HB2 ARG 67 HB3 ARG 67 1.922 3.925 11.026 496 HB3 ARG 67 HB2 ARG 67 3.283 3.085 10.293 497 HG2 ARG 67 HG3 ARG 67 4.321 5.170 9.676 498 HG3 ARG 67 HG2 ARG 67 2.910 6.077 10.201 499 HD2 ARG 67 HD3 ARG 67 4.530 6.233 11.969 500 HD3 ARG 67 HD2 ARG 67 3.281 5.116 12.516 501 HE ARG 67 HE ARG 67 5.357 3.638 11.214 502 HH11 ARG 67 HH11 ARG 67 6.828 2.511 12.510 503 HH12 ARG 67 HH12 ARG 67 7.004 2.949 14.176 504 HH21 ARG 67 HH21 ARG 67 4.645 5.486 14.035 505 HH22 ARG 67 HH22 ARG 67 5.769 4.633 15.040 506 H SER 68 H SER 68 3.460 2.239 7.811 507 HA SER 68 HA SER 68 4.756 4.247 6.002 508 HB2 SER 68 HB3 SER 68 6.802 2.944 6.160 509 HB3 SER 68 HB2 SER 68 6.250 3.340 7.784 510 HG SER 68 HG SER 68 5.515 0.941 6.479 511 H ILE 69 H ILE 69 5.207 3.594 3.872 512 HA ILE 69 HA ILE 69 3.353 1.785 2.658 513 HB ILE 69 HB ILE 69 5.932 2.950 1.570 514 HG12 ILE 69 HG13 ILE 69 3.105 3.956 1.249 515 HG13 ILE 69 HG12 ILE 69 4.216 4.582 2.458 516 HG21 ILE 69 HG21 ILE 69 3.610 1.495 0.372 517 HG22 ILE 69 HG22 ILE 69 5.331 1.323 0.025 518 HG23 ILE 69 HG23 ILE 69 4.444 2.725 -0.573 519 HD11 ILE 69 HD11 ILE 69 4.286 5.996 0.459 520 HD12 ILE 69 HD12 ILE 69 4.658 4.589 -0.538 521 HD13 ILE 69 HD13 ILE 69 5.824 5.157 0.656 522 H ARG 70 H ARG 70 6.752 1.468 3.624 523 HA ARG 70 HA ARG 70 7.279 -1.012 2.330 524 HB2 ARG 70 HB3 ARG 70 8.407 0.115 4.908 525 HB3 ARG 70 HB2 ARG 70 9.075 -1.268 4.042 526 HG2 ARG 70 HG3 ARG 70 9.353 0.181 2.026 527 HG3 ARG 70 HG2 ARG 70 8.806 1.559 2.982 528 HD2 ARG 70 HD3 ARG 70 11.244 -0.155 3.551 529 HD3 ARG 70 HD2 ARG 70 11.254 1.501 2.943 530 HE ARG 70 HE ARG 70 9.791 1.390 5.410 531 HH11 ARG 70 HH11 ARG 70 10.810 2.181 7.266 532 HH12 ARG 70 HH12 ARG 70 12.533 2.354 7.284 533 HH21 ARG 70 HH21 ARG 70 12.951 1.187 4.046 534 HH22 ARG 70 HH22 ARG 70 13.746 1.792 5.462 535 H SER 71 H SER 71 5.848 -0.316 5.521 536 HA SER 71 HA SER 71 5.808 -2.997 6.476 537 HB2 SER 71 HB3 SER 71 3.753 -0.833 7.003 538 HB3 SER 71 HB2 SER 71 4.085 -2.234 8.011 539 HG SER 71 HG SER 71 6.328 -1.333 8.027 540 H ILE 72 H ILE 72 3.419 -1.176 4.557 541 HA ILE 72 HA ILE 72 1.498 -3.298 4.403 542 HB ILE 72 HB ILE 72 2.010 -1.012 2.477 543 HG12 ILE 72 HG13 ILE 72 0.081 -1.175 4.814 544 HG13 ILE 72 HG12 ILE 72 1.631 -0.334 4.871 545 HG21 ILE 72 HG21 ILE 72 0.107 -3.200 2.554 546 HG22 ILE 72 HG22 ILE 72 0.383 -2.007 1.285 547 HG23 ILE 72 HG23 ILE 72 -0.712 -1.640 2.617 548 HD11 ILE 72 HD11 ILE 72 0.625 1.476 3.994 549 HD12 ILE 72 HD12 ILE 72 -0.880 0.581 3.780 550 HD13 ILE 72 HD13 ILE 72 0.349 0.554 2.515 551 H ASP 73 H ASP 73 4.219 -2.303 2.364 552 HA ASP 73 HA ASP 73 3.769 -4.034 0.173 553 HB2 ASP 73 HB3 ASP 73 5.548 -2.186 0.457 554 HB3 ASP 73 HB2 ASP 73 6.520 -3.422 1.256 555 H ALA 74 H ALA 74 5.346 -4.658 3.299 556 HA ALA 74 HA ALA 74 6.332 -7.256 2.651 557 HB1 ALA 74 HB1 ALA 74 6.048 -7.583 5.230 558 HB2 ALA 74 HB2 ALA 74 5.606 -5.875 5.225 559 HB3 ALA 74 HB3 ALA 74 7.196 -6.377 4.649 560 H PHE 75 H PHE 75 3.251 -6.221 4.126 561 HA PHE 75 HA PHE 75 2.196 -8.896 4.336 562 HB2 PHE 75 HB3 PHE 75 1.293 -6.895 5.565 563 HB3 PHE 75 HB2 PHE 75 0.629 -6.329 4.035 564 HD1 PHE 75 HD1 PHE 75 0.361 -8.831 6.705 565 HD2 PHE 75 HD2 PHE 75 -1.181 -7.555 2.905 566 HE1 PHE 75 HE1 PHE 75 -1.605 -10.312 7.005 567 HE2 PHE 75 HE2 PHE 75 -3.148 -9.034 3.206 568 HZ PHE 75 HZ PHE 75 -3.361 -10.414 5.255 569 H VAL 76 H VAL 76 1.771 -6.311 1.923 570 HA VAL 76 HA VAL 76 0.080 -7.783 0.165 571 HB VAL 76 HB VAL 76 2.080 -5.616 -0.543 572 HG11 VAL 76 HG11 VAL 76 0.565 -7.136 -2.216 573 HG12 VAL 76 HG12 VAL 76 1.031 -5.472 -2.553 574 HG13 VAL 76 HG13 VAL 76 -0.552 -5.819 -1.867 575 HG21 VAL 76 HG21 VAL 76 -0.648 -4.722 -0.236 576 HG22 VAL 76 HG22 VAL 76 0.801 -4.148 0.589 577 HG23 VAL 76 HG23 VAL 76 -0.109 -5.507 1.249 578 H VAL 77 H VAL 77 3.621 -7.474 0.381 579 HA VAL 77 HA VAL 77 4.320 -8.846 -1.981 580 HB VAL 77 HB VAL 77 5.645 -8.665 0.729 581 HG11 VAL 77 HG11 VAL 77 6.442 -10.723 -0.175 582 HG12 VAL 77 HG12 VAL 77 7.678 -9.521 -0.543 583 HG13 VAL 77 HG13 VAL 77 6.555 -10.044 -1.798 584 HG21 VAL 77 HG21 VAL 77 6.900 -7.582 -1.714 585 HG22 VAL 77 HG22 VAL 77 6.691 -6.832 -0.132 586 HG23 VAL 77 HG23 VAL 77 5.362 -6.829 -1.292 587 H GLY 78 H GLY 78 3.522 -10.096 1.251 588 HA2 GLY 78 HA3 GLY 78 4.023 -12.844 0.714 589 HA3 GLY 78 HA2 GLY 78 2.845 -12.255 1.891 590 H ALA 79 H ALA 79 1.292 -10.754 -0.075 591 HA ALA 79 HA ALA 79 -0.498 -12.843 -0.913 592 HB1 ALA 79 HB1 ALA 79 -1.926 -11.130 -1.287 593 HB2 ALA 79 HB2 ALA 79 -0.783 -10.307 -2.348 594 HB3 ALA 79 HB3 ALA 79 -0.671 -10.100 -0.600 595 H THR 80 H THR 80 1.730 -10.748 -2.765 596 HA THR 80 HA THR 80 2.550 -12.722 -4.588 597 HB THR 80 HB THR 80 0.475 -13.083 -5.556 598 HG1 THR 80 HG1 THR 80 0.474 -11.223 -7.323 599 HG21 THR 80 HG21 THR 80 -0.913 -10.818 -6.066 600 HG22 THR 80 HG22 THR 80 -0.036 -10.311 -4.623 601 HG23 THR 80 HG23 THR 80 -1.083 -11.730 -4.566 602 H THR 81 H THR 81 2.647 -9.625 -3.473 603 HA THR 81 HA THR 81 3.590 -8.267 -5.855 604 HB THR 81 HB THR 81 4.597 -7.096 -3.413 605 HG1 THR 81 HG1 THR 81 2.747 -8.557 -2.750 606 HG21 THR 81 HG21 THR 81 4.098 -5.576 -5.125 607 HG22 THR 81 HG22 THR 81 2.729 -5.382 -4.043 608 HG23 THR 81 HG23 THR 81 2.558 -6.348 -5.502 609 HA PRO 82 HA PRO 82 7.707 -9.745 -6.538 610 HB2 PRO 82 HB3 PRO 82 8.513 -7.010 -5.640 611 HB3 PRO 82 HB2 PRO 82 9.078 -7.940 -7.037 612 HG2 PRO 82 HG3 PRO 82 7.146 -5.976 -7.127 613 HG3 PRO 82 HG2 PRO 82 7.357 -7.255 -8.333 614 HD2 PRO 82 HD3 PRO 82 5.136 -6.881 -6.579 615 HD3 PRO 82 HD2 PRO 82 5.392 -8.227 -7.706 616 HA PRO 83 HA PRO 83 8.704 -10.687 -2.211 617 HB2 PRO 83 HB3 PRO 83 10.466 -12.701 -2.663 618 HB3 PRO 83 HB2 PRO 83 8.712 -12.905 -2.834 619 HG2 PRO 83 HG3 PRO 83 10.787 -12.527 -4.927 620 HG3 PRO 83 HG2 PRO 83 9.337 -13.545 -4.941 621 HD2 PRO 83 HD3 PRO 83 9.515 -11.084 -6.193 622 HD3 PRO 83 HD2 PRO 83 7.991 -11.836 -5.676 623 H VAL 84 H VAL 84 10.436 -10.313 -0.767 624 HA VAL 84 HA VAL 84 12.995 -9.350 -1.963 625 HB VAL 84 HB VAL 84 11.540 -7.412 -1.330 626 HG11 VAL 84 HG11 VAL 84 11.923 -8.440 1.493 627 HG12 VAL 84 HG12 VAL 84 10.427 -8.626 0.578 628 HG13 VAL 84 HG13 VAL 84 11.010 -7.015 0.998 629 HG21 VAL 84 HG21 VAL 84 13.274 -6.336 0.174 630 HG22 VAL 84 HG22 VAL 84 13.924 -7.070 -1.291 631 HG23 VAL 84 HG23 VAL 84 14.073 -7.905 0.255 632 H GLU 85 H GLU 85 14.825 -9.924 -0.757 633 HA GLU 85 HA GLU 85 14.651 -12.162 0.981 634 HB2 GLU 85 HB3 GLU 85 16.857 -10.097 0.705 635 HB3 GLU 85 HB2 GLU 85 17.025 -11.637 1.550 636 HG2 GLU 85 HG3 GLU 85 16.427 -12.829 -0.547 637 HG3 GLU 85 HG2 GLU 85 16.345 -11.277 -1.384 638 H ALA 86 H ALA 86 14.741 -8.688 1.688 639 HA ALA 86 HA ALA 86 13.719 -9.266 4.392 640 HB1 ALA 86 HB1 ALA 86 16.364 -9.175 4.301 641 HB2 ALA 86 HB2 ALA 86 15.488 -8.386 5.614 642 HB3 ALA 86 HB3 ALA 86 16.088 -7.434 4.255 643 H LYS 87 H LYS 87 12.764 -7.375 5.377 644 HA LYS 87 HA LYS 87 11.492 -5.584 3.575 645 HB2 LYS 87 HB3 LYS 87 10.694 -6.087 5.891 646 HB3 LYS 87 HB2 LYS 87 12.034 -5.133 6.526 647 HG2 LYS 87 HG3 LYS 87 11.198 -3.160 5.266 648 HG3 LYS 87 HG2 LYS 87 9.825 -4.119 4.710 649 HD2 LYS 87 HD3 LYS 87 9.201 -4.521 7.102 650 HD3 LYS 87 HD2 LYS 87 10.499 -3.428 7.584 651 HE2 LYS 87 HE3 LYS 87 9.447 -1.610 6.274 652 HE3 LYS 87 HE2 LYS 87 8.137 -2.702 5.822 653 HZ1 LYS 87 HZ1 LYS 87 7.700 -1.210 7.776 654 HZ2 LYS 87 HZ2 LYS 87 8.843 -2.124 8.641 655 HZ3 LYS 87 HZ3 LYS 87 7.433 -2.864 8.046 656 H LEU 88 H LEU 88 14.457 -5.243 5.492 657 HA LEU 88 HA LEU 88 14.878 -2.531 4.359 658 HB2 LEU 88 HB3 LEU 88 16.557 -4.057 6.373 659 HB3 LEU 88 HB2 LEU 88 16.704 -2.348 5.965 660 HG LEU 88 HG LEU 88 14.312 -3.685 7.264 661 HD11 LEU 88 HD11 LEU 88 16.710 -2.503 8.301 662 HD12 LEU 88 HD12 LEU 88 15.340 -3.161 9.196 663 HD13 LEU 88 HD13 LEU 88 15.348 -1.463 8.717 664 HD21 LEU 88 HD21 LEU 88 14.750 -0.973 6.052 665 HD22 LEU 88 HD22 LEU 88 13.712 -1.117 7.470 666 HD23 LEU 88 HD23 LEU 88 13.318 -2.000 5.996 667 H GLN 89 H GLN 89 16.573 -2.089 2.933 668 HA GLN 89 HA GLN 89 17.420 -3.934 1.061 669 HB2 GLN 89 HB3 GLN 89 19.028 -1.613 2.172 670 HB3 GLN 89 HB2 GLN 89 19.395 -2.460 0.668 671 HG2 GLN 89 HG3 GLN 89 17.204 -1.835 -0.245 672 HG3 GLN 89 HG2 GLN 89 16.792 -1.024 1.267 673 HE21 GLN 89 HE21 GLN 89 16.849 0.448 -1.169 674 HE22 GLN 89 HE22 GLN 89 18.154 1.531 -1.123 675 H3 7V9 101 1H1 NIA 101 -8.908 3.321 9.408 676 H4 7V9 101 2H1 NIA 101 -9.645 2.109 8.362 677 H5 7V9 101 1HE1 NIA 101 -11.067 0.908 11.168 678 H6 7V9 101 2HE1 NIA 101 -10.283 2.303 11.909 679 H7 7V9 101 3HE1 NIA 101 -9.710 0.675 12.270 680 H8 7V9 101 2HE2 NIA 101 -7.734 2.702 11.269 681 H9 7V9 101 3HE2 NIA 101 -7.043 1.657 10.029 682 H10 7V9 101 1HE2 NIA 101 -7.474 0.989 11.602 683 H11 7V9 101 3H NIA 101 -8.514 0.141 8.707 684 H12 7V9 101 3HO NIA 101 -10.941 -0.537 10.007 685 H13 7V9 101 5H NIA 101 -6.590 -1.081 10.419 686 H14 7V9 101 1H6 NIA 101 -6.383 -3.059 9.132 687 H15 7V9 101 2H6 NIA 101 -7.536 -3.653 10.327 688 H16 7V9 101 1H7 NIA 101 -8.594 -2.049 8.035 689 H17 7V9 101 2H7 NIA 101 -9.349 -3.377 8.918 690 H18 7V9 101 9H NIA 101 -6.113 -3.270 7.315 691 H19 7V9 101 1H10 NIA 101 -7.497 -4.593 5.015 692 H20 7V9 101 2H10 NIA 101 -6.376 -3.245 4.826 693 H21 7V9 101 1H11 NIA 101 -5.807 -6.125 5.395 694 H22 7V9 101 2H11 NIA 101 -4.726 -4.917 6.091 695 H25 7V9 101 5H1 NIA 101 -2.636 -5.906 2.295 696 H26 7V9 101 7H1 NIA 101 -3.508 -4.836 -1.664 697 H27 7V9 101 8H1 NIA 101 -5.928 -5.243 -1.230 698 H28 7V9 101 9H1 NIA 101 -6.431 -6.894 0.635 Start of MODEL 18 1 H1 MET 1 H1 MET 1 13.072 -5.941 -5.702 2 H2 MET 1 H2 MET 1 14.070 -4.607 -6.038 3 H3 MET 1 H3 MET 1 12.472 -4.644 -6.615 4 HA MET 1 HA MET 1 13.243 -4.568 -3.749 5 HB2 MET 1 HB3 MET 1 12.042 -2.247 -4.054 6 HB3 MET 1 HB2 MET 1 13.741 -2.410 -4.498 7 HG2 MET 1 HG3 MET 1 13.088 -2.807 -6.850 8 HG3 MET 1 HG2 MET 1 11.390 -2.633 -6.403 9 HE1 MET 1 HE1 MET 1 14.782 -1.277 -6.743 10 HE2 MET 1 HE2 MET 1 14.644 -0.429 -5.205 11 HE3 MET 1 HE3 MET 1 14.677 0.489 -6.709 12 H GLN 2 H GLN 2 11.458 -6.469 -4.997 13 HA GLN 2 HA GLN 2 9.274 -7.290 -4.763 14 HB2 GLN 2 HB3 GLN 2 9.232 -5.266 -2.501 15 HB3 GLN 2 HB2 GLN 2 8.067 -6.569 -2.727 16 HG2 GLN 2 HG3 GLN 2 9.849 -8.236 -2.507 17 HG3 GLN 2 HG2 GLN 2 11.051 -6.954 -2.348 18 HE21 GLN 2 HE21 GLN 2 10.705 -8.859 -0.258 19 HE22 GLN 2 HE22 GLN 2 10.034 -8.075 1.090 20 H HIS 3 H HIS 3 9.586 -5.311 -6.746 21 HA HIS 3 HA HIS 3 8.407 -3.626 -7.915 22 HB2 HIS 3 HB3 HIS 3 6.179 -5.349 -6.790 23 HB3 HIS 3 HB2 HIS 3 5.946 -4.130 -8.041 24 HD1 HIS 3 HD1 HIS 3 5.382 -7.079 -8.701 25 HD2 HIS 3 HD2 HIS 3 9.076 -5.253 -9.353 26 HE1 HIS 3 HE1 HIS 3 6.549 -8.437 -10.495 27 HE2 HIS 3 HE2 HIS 3 8.795 -7.332 -10.899 28 H ALA 4 H ALA 4 9.187 -2.833 -5.284 29 HA ALA 4 HA ALA 4 7.079 -1.728 -3.731 30 HB1 ALA 4 HB1 ALA 4 8.822 -0.212 -2.818 31 HB2 ALA 4 HB2 ALA 4 9.916 -0.720 -4.105 32 HB3 ALA 4 HB3 ALA 4 9.380 -1.884 -2.892 33 H SER 5 H SER 5 8.767 -0.476 -6.586 34 HA SER 5 HA SER 5 7.761 2.188 -6.454 35 HB2 SER 5 HB3 SER 5 8.318 2.343 -8.810 36 HB3 SER 5 HB2 SER 5 9.563 1.382 -8.015 37 HG SER 5 HG SER 5 9.058 -0.075 -9.439 38 H VAL 6 H VAL 6 6.374 -0.792 -7.772 39 HA VAL 6 HA VAL 6 4.070 0.484 -8.952 40 HB VAL 6 HB VAL 6 4.515 -2.353 -8.003 41 HG11 VAL 6 HG11 VAL 6 2.270 -2.563 -8.187 42 HG12 VAL 6 HG12 VAL 6 2.502 -2.353 -9.923 43 HG13 VAL 6 HG13 VAL 6 2.109 -0.963 -8.911 44 HG21 VAL 6 HG21 VAL 6 5.244 -2.820 -10.139 45 HG22 VAL 6 HG22 VAL 6 5.734 -1.128 -10.063 46 HG23 VAL 6 HG23 VAL 6 4.228 -1.575 -10.866 47 H ILE 7 H ILE 7 4.762 -0.921 -5.780 48 HA ILE 7 HA ILE 7 2.132 -0.787 -4.713 49 HB ILE 7 HB ILE 7 4.788 -0.410 -3.296 50 HG12 ILE 7 HG13 ILE 7 3.093 -2.902 -3.664 51 HG13 ILE 7 HG12 ILE 7 4.538 -2.535 -4.607 52 HG21 ILE 7 HG21 ILE 7 2.885 0.344 -1.936 53 HG22 ILE 7 HG22 ILE 7 3.524 -1.170 -1.299 54 HG23 ILE 7 HG23 ILE 7 2.041 -1.171 -2.253 55 HD11 ILE 7 HD11 ILE 7 5.284 -2.177 -1.913 56 HD12 ILE 7 HD12 ILE 7 5.764 -3.496 -2.981 57 HD13 ILE 7 HD13 ILE 7 4.343 -3.668 -1.951 58 H ALA 8 H ALA 8 4.806 1.573 -4.485 59 HA ALA 8 HA ALA 8 3.248 3.605 -3.187 60 HB1 ALA 8 HB1 ALA 8 5.481 4.111 -2.979 61 HB2 ALA 8 HB2 ALA 8 5.143 5.064 -4.424 62 HB3 ALA 8 HB3 ALA 8 5.879 3.468 -4.572 63 H GLN 9 H GLN 9 4.127 3.096 -6.591 64 HA GLN 9 HA GLN 9 2.736 5.369 -7.626 65 HB2 GLN 9 HB3 GLN 9 4.436 4.049 -8.892 66 HB3 GLN 9 HB2 GLN 9 3.284 2.718 -8.994 67 HG2 GLN 9 HG3 GLN 9 1.819 4.908 -9.880 68 HG3 GLN 9 HG2 GLN 9 3.419 5.173 -10.571 69 HE21 GLN 9 HE21 GLN 9 1.125 2.419 -10.098 70 HE22 GLN 9 HE22 GLN 9 1.417 1.729 -11.621 71 H PHE 10 H PHE 10 1.762 1.987 -7.205 72 HA PHE 10 HA PHE 10 -0.839 2.225 -8.344 73 HB2 PHE 10 HB3 PHE 10 0.281 0.063 -7.831 74 HB3 PHE 10 HB2 PHE 10 0.077 0.390 -6.110 75 HD1 PHE 10 HD1 PHE 10 -2.056 0.157 -5.032 76 HD2 PHE 10 HD2 PHE 10 -1.696 -0.306 -9.284 77 HE1 PHE 10 HE1 PHE 10 -4.350 -0.781 -5.122 78 HE2 PHE 10 HE2 PHE 10 -3.990 -1.245 -9.377 79 HZ PHE 10 HZ PHE 10 -5.314 -1.482 -7.296 80 H VAL 11 H VAL 11 0.250 2.475 -4.968 81 HA VAL 11 HA VAL 11 -2.361 3.138 -3.932 82 HB VAL 11 HB VAL 11 0.403 3.655 -2.796 83 HG11 VAL 11 HG11 VAL 11 -2.265 4.405 -1.908 84 HG12 VAL 11 HG12 VAL 11 -0.697 4.867 -1.246 85 HG13 VAL 11 HG13 VAL 11 -1.462 3.363 -0.733 86 HG21 VAL 11 HG21 VAL 11 0.139 1.589 -1.630 87 HG22 VAL 11 HG22 VAL 11 -0.329 1.249 -3.296 88 HG23 VAL 11 HG23 VAL 11 -1.567 1.481 -2.062 89 H VAL 12 H VAL 12 0.479 5.090 -4.832 90 HA VAL 12 HA VAL 12 -0.678 7.612 -4.115 91 HB VAL 12 HB VAL 12 1.506 6.922 -6.082 92 HG11 VAL 12 HG11 VAL 12 0.158 9.431 -5.496 93 HG12 VAL 12 HG12 VAL 12 1.354 9.071 -6.739 94 HG13 VAL 12 HG13 VAL 12 1.878 9.519 -5.117 95 HG21 VAL 12 HG21 VAL 12 2.904 6.855 -4.300 96 HG22 VAL 12 HG22 VAL 12 1.446 6.712 -3.319 97 HG23 VAL 12 HG23 VAL 12 2.179 8.294 -3.583 98 H GLU 13 H GLU 13 -0.632 5.784 -7.155 99 HA GLU 13 HA GLU 13 -1.687 7.733 -8.881 100 HB2 GLU 13 HB3 GLU 13 -0.931 5.473 -9.599 101 HB3 GLU 13 HB2 GLU 13 -2.390 4.795 -8.885 102 HG2 GLU 13 HG3 GLU 13 -3.759 6.251 -10.367 103 HG3 GLU 13 HG2 GLU 13 -2.273 6.816 -11.126 104 H GLU 14 H GLU 14 -3.301 5.883 -6.378 105 HA GLU 14 HA GLU 14 -5.992 6.357 -7.246 106 HB2 GLU 14 HB3 GLU 14 -4.866 5.908 -4.466 107 HB3 GLU 14 HB2 GLU 14 -6.585 5.892 -4.859 108 HG2 GLU 14 HG3 GLU 14 -6.173 4.058 -6.485 109 HG3 GLU 14 HG2 GLU 14 -4.473 4.045 -6.012 110 H PHE 15 H PHE 15 -3.678 8.316 -5.460 111 HA PHE 15 HA PHE 15 -5.537 10.607 -5.721 112 HB2 PHE 15 HB3 PHE 15 -5.330 11.250 -3.390 113 HB3 PHE 15 HB2 PHE 15 -5.917 9.589 -3.454 114 HD1 PHE 15 HD1 PHE 15 -4.254 7.688 -3.175 115 HD2 PHE 15 HD2 PHE 15 -3.270 11.782 -2.328 116 HE1 PHE 15 HE1 PHE 15 -2.310 6.942 -1.829 117 HE2 PHE 15 HE2 PHE 15 -1.323 11.036 -0.986 118 HZ PHE 15 HZ PHE 15 -0.843 8.616 -0.736 119 H LEU 16 H LEU 16 -3.204 10.120 -7.205 120 HA LEU 16 HA LEU 16 -0.986 11.529 -5.960 121 HB2 LEU 16 HB3 LEU 16 0.277 10.811 -7.715 122 HB3 LEU 16 HB2 LEU 16 -1.037 9.669 -7.884 123 HG LEU 16 HG LEU 16 -0.769 12.280 -9.418 124 HD11 LEU 16 HD11 LEU 16 0.447 11.124 -10.898 125 HD12 LEU 16 HD12 LEU 16 -0.823 9.907 -11.024 126 HD13 LEU 16 HD13 LEU 16 0.437 9.744 -9.801 127 HD21 LEU 16 HD21 LEU 16 -3.095 10.879 -8.834 128 HD22 LEU 16 HD22 LEU 16 -2.614 10.208 -10.389 129 HD23 LEU 16 HD23 LEU 16 -2.873 11.944 -10.219 130 HA PRO 17 HA PRO 17 -2.537 15.521 -7.298 131 HB2 PRO 17 HB3 PRO 17 -0.453 17.054 -6.456 132 HB3 PRO 17 HB2 PRO 17 -1.612 16.335 -5.323 133 HG2 PRO 17 HG3 PRO 17 1.132 15.439 -6.041 134 HG3 PRO 17 HG2 PRO 17 0.330 15.467 -4.463 135 HD2 PRO 17 HD3 PRO 17 0.580 13.199 -6.010 136 HD3 PRO 17 HD2 PRO 17 -0.707 13.449 -4.811 137 H ASP 18 H ASP 18 -0.571 17.525 -8.141 138 HA ASP 18 HA ASP 18 -0.164 16.608 -10.875 139 HB2 ASP 18 HB3 ASP 18 0.580 19.164 -9.443 140 HB3 ASP 18 HB2 ASP 18 0.842 18.891 -11.162 141 H VAL 19 H VAL 19 1.369 15.546 -8.375 142 HA VAL 19 HA VAL 19 4.129 15.963 -9.455 143 HB VAL 19 HB VAL 19 3.296 15.058 -6.683 144 HG11 VAL 19 HG11 VAL 19 5.451 14.276 -6.833 145 HG12 VAL 19 HG12 VAL 19 5.820 15.952 -6.428 146 HG13 VAL 19 HG13 VAL 19 5.889 15.414 -8.107 147 HG21 VAL 19 HG21 VAL 19 3.794 17.736 -7.904 148 HG22 VAL 19 HG22 VAL 19 4.444 17.455 -6.288 149 HG23 VAL 19 HG23 VAL 19 2.714 17.287 -6.583 150 H ALA 20 H ALA 20 5.272 14.162 -10.112 151 HA ALA 20 HA ALA 20 3.855 11.715 -10.592 152 HB1 ALA 20 HB1 ALA 20 6.668 12.657 -10.916 153 HB2 ALA 20 HB2 ALA 20 5.568 11.983 -12.117 154 HB3 ALA 20 HB3 ALA 20 6.371 10.920 -10.963 155 HA PRO 21 HA PRO 21 4.199 9.650 -6.639 156 HB2 PRO 21 HB3 PRO 21 4.990 7.222 -8.149 157 HB3 PRO 21 HB2 PRO 21 3.655 7.455 -7.010 158 HG2 PRO 21 HG3 PRO 21 3.342 7.285 -9.701 159 HG3 PRO 21 HG2 PRO 21 2.227 8.134 -8.624 160 HD2 PRO 21 HD3 PRO 21 4.103 9.251 -10.594 161 HD3 PRO 21 HD2 PRO 21 2.708 10.010 -9.797 162 H ALA 22 H ALA 22 6.730 9.238 -9.067 163 HA ALA 22 HA ALA 22 8.735 8.150 -7.326 164 HB1 ALA 22 HB1 ALA 22 10.215 9.452 -9.176 165 HB2 ALA 22 HB2 ALA 22 8.664 9.415 -10.016 166 HB3 ALA 22 HB3 ALA 22 9.425 7.910 -9.500 167 H ASP 23 H ASP 23 7.510 11.364 -7.795 168 HA ASP 23 HA ASP 23 9.791 12.534 -6.295 169 HB2 ASP 23 HB3 ASP 23 7.475 13.803 -7.781 170 HB3 ASP 23 HB2 ASP 23 8.684 14.718 -6.877 171 H VAL 24 H VAL 24 7.145 10.931 -5.459 172 HA VAL 24 HA VAL 24 6.084 12.839 -3.473 173 HB VAL 24 HB VAL 24 4.807 10.936 -4.846 174 HG11 VAL 24 HG11 VAL 24 5.424 9.504 -2.256 175 HG12 VAL 24 HG12 VAL 24 6.344 9.201 -3.730 176 HG13 VAL 24 HG13 VAL 24 4.613 8.869 -3.687 177 HG21 VAL 24 HG21 VAL 24 3.105 10.925 -3.032 178 HG22 VAL 24 HG22 VAL 24 3.746 12.543 -3.321 179 HG23 VAL 24 HG23 VAL 24 4.298 11.610 -1.930 180 H ASP 25 H ASP 25 6.462 12.654 -1.247 181 HA ASP 25 HA ASP 25 8.926 11.368 -0.473 182 HB2 ASP 25 HB3 ASP 25 7.948 13.444 0.590 183 HB3 ASP 25 HB2 ASP 25 6.747 12.405 1.359 184 H VAL 26 H VAL 26 8.510 9.127 -1.066 185 HA VAL 26 HA VAL 26 6.337 7.602 0.034 186 HB VAL 26 HB VAL 26 7.633 5.639 -0.611 187 HG11 VAL 26 HG11 VAL 26 8.057 7.930 -2.556 188 HG12 VAL 26 HG12 VAL 26 6.588 6.965 -2.416 189 HG13 VAL 26 HG13 VAL 26 8.085 6.215 -2.967 190 HG21 VAL 26 HG21 VAL 26 9.909 7.631 -0.710 191 HG22 VAL 26 HG22 VAL 26 9.992 6.065 -1.517 192 HG23 VAL 26 HG23 VAL 26 9.811 6.145 0.235 193 H ASP 27 H ASP 27 8.744 9.171 1.643 194 HA ASP 27 HA ASP 27 9.058 7.085 3.741 195 HB2 ASP 27 HB3 ASP 27 10.402 9.778 3.356 196 HB3 ASP 27 HB2 ASP 27 10.712 8.699 4.715 197 H LEU 28 H LEU 28 6.728 9.108 3.008 198 HA LEU 28 HA LEU 28 6.422 10.497 5.589 199 HB2 LEU 28 HB3 LEU 28 5.735 11.567 3.439 200 HB3 LEU 28 HB2 LEU 28 4.505 10.321 3.251 201 HG LEU 28 HG LEU 28 3.576 11.012 5.495 202 HD11 LEU 28 HD11 LEU 28 4.298 13.505 5.995 203 HD12 LEU 28 HD12 LEU 28 5.785 13.021 5.181 204 HD13 LEU 28 HD13 LEU 28 5.253 12.164 6.627 205 HD21 LEU 28 HD21 LEU 28 3.594 12.652 3.015 206 HD22 LEU 28 HD22 LEU 28 2.923 13.422 4.453 207 HD23 LEU 28 HD23 LEU 28 2.238 11.908 3.862 208 H ASP 29 H ASP 29 5.086 9.819 7.227 209 HA ASP 29 HA ASP 29 4.245 7.098 7.310 210 HB2 ASP 29 HB3 ASP 29 3.370 9.484 8.969 211 HB3 ASP 29 HB2 ASP 29 2.953 7.811 9.344 212 H LEU 30 H LEU 30 2.541 6.202 6.286 213 HA LEU 30 HA LEU 30 0.733 7.640 4.672 214 HB2 LEU 30 HB3 LEU 30 0.327 4.935 5.989 215 HB3 LEU 30 HB2 LEU 30 -0.618 5.561 4.639 216 HG LEU 30 HG LEU 30 2.372 5.054 4.621 217 HD11 LEU 30 HD11 LEU 30 1.280 3.503 2.665 218 HD12 LEU 30 HD12 LEU 30 -0.013 3.473 3.862 219 HD13 LEU 30 HD13 LEU 30 1.605 2.927 4.300 220 HD21 LEU 30 HD21 LEU 30 1.704 5.380 2.039 221 HD22 LEU 30 HD22 LEU 30 2.182 6.739 3.055 222 HD23 LEU 30 HD23 LEU 30 0.473 6.415 2.761 223 H VAL 31 H VAL 31 0.789 7.297 8.085 224 HA VAL 31 HA VAL 31 -1.919 7.361 8.802 225 HB VAL 31 HB VAL 31 0.434 8.844 10.004 226 HG11 VAL 31 HG11 VAL 31 -1.380 8.621 12.023 227 HG12 VAL 31 HG12 VAL 31 -2.454 8.901 10.653 228 HG13 VAL 31 HG13 VAL 31 -1.190 10.069 11.035 229 HG21 VAL 31 HG21 VAL 31 -0.043 7.014 11.793 230 HG22 VAL 31 HG22 VAL 31 0.769 6.533 10.303 231 HG23 VAL 31 HG23 VAL 31 -0.952 6.214 10.511 232 H ASP 32 H ASP 32 0.144 10.054 7.748 233 HA ASP 32 HA ASP 32 -1.742 12.148 8.068 234 HB2 ASP 32 HB3 ASP 32 0.405 11.764 5.957 235 HB3 ASP 32 HB2 ASP 32 -0.486 13.268 6.194 236 H ASN 33 H ASN 33 -1.300 9.782 5.491 237 HA ASN 33 HA ASN 33 -3.584 10.881 3.982 238 HB2 ASN 33 HB3 ASN 33 -1.757 8.536 3.440 239 HB3 ASN 33 HB2 ASN 33 -3.042 9.070 2.360 240 HD21 ASN 33 HD21 ASN 33 -0.374 9.101 1.456 241 HD22 ASN 33 HD22 ASN 33 0.143 10.709 1.290 242 H GLY 34 H GLY 34 -3.721 9.521 6.706 243 HA2 GLY 34 HA3 GLY 34 -4.759 6.972 6.730 244 HA3 GLY 34 HA2 GLY 34 -5.426 8.257 7.737 245 H VAL 35 H VAL 35 -6.019 9.637 4.977 246 HA VAL 35 HA VAL 35 -8.783 9.065 4.878 247 HB VAL 35 HB VAL 35 -7.471 10.970 3.728 248 HG11 VAL 35 HG11 VAL 35 -6.090 9.153 2.487 249 HG12 VAL 35 HG12 VAL 35 -6.598 10.579 1.581 250 HG13 VAL 35 HG13 VAL 35 -7.476 9.060 1.404 251 HG21 VAL 35 HG21 VAL 35 -9.887 9.505 2.840 252 HG22 VAL 35 HG22 VAL 35 -9.198 10.598 1.641 253 HG23 VAL 35 HG23 VAL 35 -9.686 11.215 3.220 254 H ILE 36 H ILE 36 -6.069 7.481 3.312 255 HA ILE 36 HA ILE 36 -7.639 5.801 1.558 256 HB ILE 36 HB ILE 36 -5.060 6.390 1.567 257 HG12 ILE 36 HG13 ILE 36 -6.255 3.698 0.849 258 HG13 ILE 36 HG12 ILE 36 -6.033 5.093 -0.211 259 HG21 ILE 36 HG21 ILE 36 -3.660 4.853 2.694 260 HG22 ILE 36 HG22 ILE 36 -4.987 3.727 2.985 261 HG23 ILE 36 HG23 ILE 36 -4.904 5.243 3.883 262 HD11 ILE 36 HD11 ILE 36 -3.497 4.820 0.486 263 HD12 ILE 36 HD12 ILE 36 -4.182 3.826 -0.799 264 HD13 ILE 36 HD13 ILE 36 -3.993 3.160 0.823 265 H ASP 37 H ASP 37 -6.900 5.719 4.925 266 HA ASP 37 HA ASP 37 -6.915 2.950 5.468 267 HB2 ASP 37 HB3 ASP 37 -7.987 5.221 7.160 268 HB3 ASP 37 HB2 ASP 37 -7.690 3.586 7.743 269 H SER 38 H SER 38 -9.661 5.095 4.821 270 HA SER 38 HA SER 38 -11.450 2.735 5.261 271 HB2 SER 38 2HB SER 38 -12.167 5.672 5.357 272 HB3 SER 38 1HB SER 38 -13.250 4.327 5.701 273 H LEU 39 H LEU 39 -11.610 5.767 3.352 274 HA LEU 39 HA LEU 39 -13.321 4.624 1.381 275 HB2 LEU 39 HB3 LEU 39 -13.019 7.074 1.764 276 HB3 LEU 39 HB2 LEU 39 -11.425 6.946 1.027 277 HG LEU 39 HG LEU 39 -13.607 5.763 -0.566 278 HD11 LEU 39 HD11 LEU 39 -14.193 8.129 -1.401 279 HD12 LEU 39 HD12 LEU 39 -13.504 8.702 0.118 280 HD13 LEU 39 HD13 LEU 39 -14.900 7.626 0.134 281 HD21 LEU 39 HD21 LEU 39 -11.646 7.882 -1.414 282 HD22 LEU 39 HD22 LEU 39 -12.308 6.547 -2.356 283 HD23 LEU 39 HD23 LEU 39 -11.089 6.235 -1.121 284 H GLY 40 H GLY 40 -9.820 5.260 1.280 285 HA2 GLY 40 HA3 GLY 40 -9.470 3.958 -1.274 286 HA3 GLY 40 HA2 GLY 40 -8.182 4.396 -0.157 287 H LEU 41 H LEU 41 -9.083 2.938 2.095 288 HA LEU 41 HA LEU 41 -7.915 0.402 1.636 289 HB2 LEU 41 HB3 LEU 41 -8.207 1.527 3.862 290 HB3 LEU 41 HB2 LEU 41 -9.919 1.120 3.789 291 HG LEU 41 HG LEU 41 -9.128 -1.312 3.432 292 HD11 LEU 41 HD11 LEU 41 -6.731 -0.888 4.997 293 HD12 LEU 41 HD12 LEU 41 -6.621 -0.013 3.470 294 HD13 LEU 41 HD13 LEU 41 -6.916 -1.749 3.470 295 HD21 LEU 41 HD21 LEU 41 -10.143 -0.332 5.531 296 HD22 LEU 41 HD22 LEU 41 -8.505 -0.020 6.104 297 HD23 LEU 41 HD23 LEU 41 -9.042 -1.675 5.825 298 H LEU 42 H LEU 42 -11.332 1.391 1.675 299 HA LEU 42 HA LEU 42 -12.420 -1.239 1.391 300 HB2 LEU 42 HB3 LEU 42 -13.737 0.819 1.977 301 HB3 LEU 42 HB2 LEU 42 -13.573 1.346 0.308 302 HG LEU 42 HG LEU 42 -14.540 -1.043 -0.238 303 HD11 LEU 42 HD11 LEU 42 -16.178 -1.725 1.519 304 HD12 LEU 42 HD12 LEU 42 -15.474 -0.517 2.592 305 HD13 LEU 42 HD13 LEU 42 -14.504 -1.883 2.045 306 HD21 LEU 42 HD21 LEU 42 -16.209 1.235 0.875 307 HD22 LEU 42 HD22 LEU 42 -16.831 -0.073 -0.132 308 HD23 LEU 42 HD23 LEU 42 -15.660 1.069 -0.793 309 H LYS 43 H LYS 43 -11.467 1.198 -1.033 310 HA LYS 43 HA LYS 43 -12.228 -0.376 -3.308 311 HB2 LYS 43 HB3 LYS 43 -10.197 1.841 -3.014 312 HB3 LYS 43 HB2 LYS 43 -10.724 1.176 -4.555 313 HG2 LYS 43 HG3 LYS 43 -13.077 1.774 -3.960 314 HG3 LYS 43 HG2 LYS 43 -12.472 2.551 -2.496 315 HD2 LYS 43 HD3 LYS 43 -11.046 4.028 -3.914 316 HD3 LYS 43 HD2 LYS 43 -11.772 3.304 -5.349 317 HE2 LYS 43 HE3 LYS 43 -13.971 4.100 -4.709 318 HE3 LYS 43 HE2 LYS 43 -13.356 4.681 -3.162 319 HZ1 LYS 43 HZ1 LYS 43 -11.806 6.107 -4.527 320 HZ2 LYS 43 HZ2 LYS 43 -13.446 6.548 -4.552 321 HZ3 LYS 43 HZ3 LYS 43 -12.766 5.719 -5.870 322 H VAL 44 H VAL 44 -9.182 -0.050 -1.512 323 HA VAL 44 HA VAL 44 -7.597 -1.651 -3.284 324 HB VAL 44 HB VAL 44 -7.318 -1.113 -0.315 325 HG11 VAL 44 HG11 VAL 44 -5.418 -2.370 -2.314 326 HG12 VAL 44 HG12 VAL 44 -6.069 -3.113 -0.854 327 HG13 VAL 44 HG13 VAL 44 -4.923 -1.779 -0.727 328 HG21 VAL 44 HG21 VAL 44 -5.505 0.057 -2.361 329 HG22 VAL 44 HG22 VAL 44 -6.158 0.780 -0.891 330 HG23 VAL 44 HG23 VAL 44 -7.155 0.676 -2.342 331 H ILE 45 H ILE 45 -9.505 -2.499 -0.400 332 HA ILE 45 HA ILE 45 -8.723 -5.228 -0.253 333 HB ILE 45 HB ILE 45 -10.950 -3.563 0.769 334 HG12 ILE 45 HG13 ILE 45 -10.262 -4.500 2.866 335 HG13 ILE 45 HG12 ILE 45 -9.403 -5.816 2.069 336 HG21 ILE 45 HG21 ILE 45 -12.096 -5.678 1.619 337 HG22 ILE 45 HG22 ILE 45 -11.184 -6.555 0.393 338 HG23 ILE 45 HG23 ILE 45 -12.336 -5.307 -0.088 339 HD11 ILE 45 HD11 ILE 45 -7.586 -4.510 1.582 340 HD12 ILE 45 HD12 ILE 45 -8.172 -3.576 2.953 341 HD13 ILE 45 HD13 ILE 45 -8.563 -3.070 1.317 342 H ALA 46 H ALA 46 -11.563 -3.765 -1.871 343 HA ALA 46 HA ALA 46 -12.473 -6.235 -3.014 344 HB1 ALA 46 HB1 ALA 46 -12.893 -3.474 -4.184 345 HB2 ALA 46 HB2 ALA 46 -13.800 -4.072 -2.795 346 HB3 ALA 46 HB3 ALA 46 -13.937 -4.885 -4.354 347 H TRP 47 H TRP 47 -10.102 -3.849 -4.021 348 HA TRP 47 HA TRP 47 -9.854 -4.820 -6.738 349 HB2 TRP 47 HB3 TRP 47 -9.116 -2.588 -6.313 350 HB3 TRP 47 HB2 TRP 47 -8.094 -3.107 -4.974 351 HD1 TRP 47 HD1 TRP 47 -8.343 -3.397 -8.805 352 HE1 TRP 47 HE1 TRP 47 -5.977 -3.827 -9.735 353 HE3 TRP 47 HE3 TRP 47 -5.752 -3.880 -4.434 354 HZ2 TRP 47 HZ2 TRP 47 -3.332 -4.313 -8.753 355 HZ3 TRP 47 HZ3 TRP 47 -3.314 -4.325 -4.458 356 HH2 TRP 47 HH2 TRP 47 -2.104 -4.540 -6.609 357 H LEU 48 H LEU 48 -7.928 -5.304 -3.767 358 HA LEU 48 HA LEU 48 -5.981 -7.007 -4.943 359 HB2 LEU 48 HB3 LEU 48 -5.881 -5.929 -2.653 360 HB3 LEU 48 HB2 LEU 48 -6.998 -7.166 -2.100 361 HG LEU 48 HG LEU 48 -5.266 -8.812 -3.179 362 HD11 LEU 48 HD11 LEU 48 -3.177 -8.005 -3.631 363 HD12 LEU 48 HD12 LEU 48 -3.251 -6.818 -2.330 364 HD13 LEU 48 HD13 LEU 48 -4.049 -6.491 -3.867 365 HD21 LEU 48 HD21 LEU 48 -3.854 -8.308 -0.904 366 HD22 LEU 48 HD22 LEU 48 -5.393 -9.169 -0.922 367 HD23 LEU 48 HD23 LEU 48 -5.350 -7.446 -0.551 368 H GLU 49 H GLU 49 -9.049 -7.796 -3.294 369 HA GLU 49 HA GLU 49 -8.759 -10.642 -3.588 370 HB2 GLU 49 HB3 GLU 49 -10.314 -9.660 -1.961 371 HB3 GLU 49 HB2 GLU 49 -11.266 -8.965 -3.264 372 HG2 GLU 49 HG3 GLU 49 -11.709 -11.245 -4.126 373 HG3 GLU 49 HG2 GLU 49 -10.809 -11.913 -2.773 374 H ASP 50 H ASP 50 -10.202 -8.135 -5.631 375 HA ASP 50 HA ASP 50 -11.495 -9.870 -7.477 376 HB2 ASP 50 HB3 ASP 50 -11.786 -7.376 -7.326 377 HB3 ASP 50 HB2 ASP 50 -10.220 -7.212 -8.118 378 H ARG 51 H ARG 51 -8.187 -8.535 -7.515 379 HA ARG 51 HA ARG 51 -7.574 -10.016 -9.972 380 HB2 ARG 51 HB3 ARG 51 -5.893 -8.261 -8.170 381 HB3 ARG 51 HB2 ARG 51 -5.304 -9.004 -9.654 382 HG2 ARG 51 HG3 ARG 51 -7.151 -7.867 -10.903 383 HG3 ARG 51 HG2 ARG 51 -7.594 -7.036 -9.411 384 HD2 ARG 51 HD3 ARG 51 -5.249 -6.132 -9.300 385 HD3 ARG 51 HD2 ARG 51 -4.960 -6.829 -10.894 386 HE ARG 51 HE ARG 51 -7.288 -5.037 -10.715 387 HH11 ARG 51 HH11 ARG 51 -7.150 -3.203 -12.027 388 HH12 ARG 51 HH12 ARG 51 -5.636 -2.793 -12.764 389 HH21 ARG 51 HH21 ARG 51 -3.938 -5.491 -11.401 390 HH22 ARG 51 HH22 ARG 51 -3.820 -4.089 -12.411 391 H PHE 52 H PHE 52 -6.304 -10.054 -6.609 392 HA PHE 52 HA PHE 52 -4.755 -12.458 -7.162 393 HB2 PHE 52 HB3 PHE 52 -5.353 -10.952 -4.607 394 HB3 PHE 52 HB2 PHE 52 -4.284 -12.349 -4.697 395 HD1 PHE 52 HD1 PHE 52 -4.699 -8.807 -5.513 396 HD2 PHE 52 HD2 PHE 52 -2.174 -12.249 -5.992 397 HE1 PHE 52 HE1 PHE 52 -2.846 -7.343 -6.265 398 HE2 PHE 52 HE2 PHE 52 -0.321 -10.784 -6.745 399 HZ PHE 52 HZ PHE 52 -0.656 -8.331 -6.881 400 H GLY 53 H GLY 53 -7.959 -11.815 -5.899 401 HA2 GLY 53 HA3 GLY 53 -9.672 -13.415 -5.510 402 HA3 GLY 53 HA2 GLY 53 -8.519 -14.687 -5.914 403 H ILE 54 H ILE 54 -7.703 -12.262 -3.544 404 HA ILE 54 HA ILE 54 -7.754 -14.389 -1.454 405 HB ILE 54 HB ILE 54 -6.284 -11.734 -1.489 406 HG12 ILE 54 HG13 ILE 54 -5.142 -14.516 -1.845 407 HG13 ILE 54 HG12 ILE 54 -5.588 -13.492 -3.211 408 HG21 ILE 54 HG21 ILE 54 -5.220 -13.793 0.240 409 HG22 ILE 54 HG22 ILE 54 -6.914 -13.494 0.627 410 HG23 ILE 54 HG23 ILE 54 -5.755 -12.166 0.657 411 HD11 ILE 54 HD11 ILE 54 -4.035 -11.769 -2.496 412 HD12 ILE 54 HD12 ILE 54 -3.168 -13.303 -2.583 413 HD13 ILE 54 HD13 ILE 54 -3.668 -12.660 -1.019 414 H ALA 55 H ALA 55 -8.856 -14.024 0.488 415 HA ALA 55 HA ALA 55 -11.130 -12.314 0.435 416 HB1 ALA 55 HB1 ALA 55 -9.789 -14.039 2.436 417 HB2 ALA 55 HB2 ALA 55 -11.497 -13.924 2.011 418 HB3 ALA 55 HB3 ALA 55 -10.777 -12.738 3.100 419 H ALA 56 H ALA 56 -11.555 -10.418 1.762 420 HA ALA 56 HA ALA 56 -9.647 -8.366 1.533 421 HB1 ALA 56 HB1 ALA 56 -12.066 -7.983 1.944 422 HB2 ALA 56 HB2 ALA 56 -11.062 -7.091 3.087 423 HB3 ALA 56 HB3 ALA 56 -11.867 -8.576 3.594 424 H ASP 57 H ASP 57 -9.878 -10.892 3.878 425 HA ASP 57 HA ASP 57 -8.589 -11.401 5.761 426 HB2 ASP 57 HB3 ASP 57 -6.688 -9.500 4.382 427 HB3 ASP 57 HB2 ASP 57 -6.256 -10.525 5.745 428 H ASP 58 H ASP 58 -10.553 -9.532 6.258 429 HA ASP 58 HA ASP 58 -9.267 -7.359 7.821 430 HB2 ASP 58 HB3 ASP 58 -12.159 -7.916 7.132 431 HB3 ASP 58 HB2 ASP 58 -11.620 -6.553 8.110 432 H VAL 59 H VAL 59 -9.452 -10.369 8.473 433 HA VAL 59 HA VAL 59 -11.206 -10.838 10.618 434 HB VAL 59 HB VAL 59 -8.423 -11.882 10.109 435 HG11 VAL 59 HG11 VAL 59 -9.442 -13.774 11.665 436 HG12 VAL 59 HG12 VAL 59 -10.393 -12.430 12.297 437 HG13 VAL 59 HG13 VAL 59 -8.631 -12.374 12.367 438 HG21 VAL 59 HG21 VAL 59 -9.587 -13.825 9.241 439 HG22 VAL 59 HG22 VAL 59 -10.254 -12.394 8.455 440 HG23 VAL 59 HG23 VAL 59 -11.143 -13.177 9.762 441 H GLU 60 H GLU 60 -7.964 -9.347 10.701 442 HA GLU 60 HA GLU 60 -8.700 -7.992 13.196 443 HB2 GLU 60 HB3 GLU 60 -7.913 -10.283 13.908 444 HB3 GLU 60 HB2 GLU 60 -6.338 -9.884 13.234 445 HG2 GLU 60 HG3 GLU 60 -6.255 -7.890 14.720 446 HG3 GLU 60 HG2 GLU 60 -7.770 -8.409 15.446 447 H LEU 61 H LEU 61 -8.228 -6.494 11.164 448 HA LEU 61 HA LEU 61 -5.319 -5.863 11.058 449 HB2 LEU 61 HB3 LEU 61 -7.632 -5.297 9.220 450 HB3 LEU 61 HB2 LEU 61 -6.179 -4.304 9.141 451 HG LEU 61 HG LEU 61 -6.239 -6.316 7.570 452 HD11 LEU 61 HD11 LEU 61 -4.127 -5.271 9.206 453 HD12 LEU 61 HD12 LEU 61 -4.024 -5.945 7.581 454 HD13 LEU 61 HD13 LEU 61 -3.866 -7.001 8.983 455 HD21 LEU 61 HD21 LEU 61 -5.570 -7.894 10.056 456 HD22 LEU 61 HD22 LEU 61 -5.950 -8.498 8.446 457 HD23 LEU 61 HD23 LEU 61 -7.222 -7.797 9.444 458 H SER 62 H SER 62 -4.590 -3.832 11.734 459 HA SER 62 HA SER 62 -6.654 -1.985 12.850 460 HB2 SER 62 HB3 SER 62 -5.797 -2.399 14.893 461 HB3 SER 62 HB2 SER 62 -4.501 -3.373 14.206 462 HG SER 62 HG SER 62 -4.547 -0.709 14.957 463 HA PRO 63 HA PRO 63 -4.775 1.339 10.686 464 HB2 PRO 63 HB3 PRO 63 -4.470 3.232 12.709 465 HB3 PRO 63 HB2 PRO 63 -5.960 2.940 11.795 466 HG2 PRO 63 HG3 PRO 63 -5.191 2.023 14.506 467 HG3 PRO 63 HG2 PRO 63 -6.780 2.481 13.872 468 HD2 PRO 63 HD3 PRO 63 -6.066 -0.113 14.267 469 HD3 PRO 63 HD2 PRO 63 -7.178 0.382 12.971 470 H GLU 64 H GLU 64 -3.170 0.232 13.599 471 HA GLU 64 HA GLU 64 -0.742 1.712 13.354 472 HB2 GLU 64 HB3 GLU 64 -1.239 -1.039 14.498 473 HB3 GLU 64 HB2 GLU 64 0.248 -0.130 14.712 474 HG2 GLU 64 HG3 GLU 64 -1.056 1.699 15.756 475 HG3 GLU 64 HG2 GLU 64 -2.508 0.719 15.607 476 H HIS 65 H HIS 65 -1.902 -1.195 11.760 477 HA HIS 65 HA HIS 65 0.629 -2.010 10.659 478 HB2 HIS 65 HB3 HIS 65 -1.225 -3.576 10.732 479 HB3 HIS 65 HB2 HIS 65 -2.210 -2.515 9.724 480 HD1 HIS 65 HD1 HIS 65 -2.102 -2.957 7.273 481 HD2 HIS 65 HD2 HIS 65 1.262 -4.436 9.248 482 HE1 HIS 65 HE1 HIS 65 -0.712 -4.157 5.525 483 HE2 HIS 65 HE2 HIS 65 1.339 -5.054 6.716 484 H PHE 66 H PHE 66 -1.721 0.404 9.732 485 HA PHE 66 HA PHE 66 -0.441 0.752 7.081 486 HB2 PHE 66 HB3 PHE 66 -2.797 2.168 8.368 487 HB3 PHE 66 HB2 PHE 66 -2.239 2.423 6.714 488 HD1 PHE 66 HD1 PHE 66 -2.542 0.712 4.995 489 HD2 PHE 66 HD2 PHE 66 -3.873 0.069 9.026 490 HE1 PHE 66 HE1 PHE 66 -3.866 -1.246 4.246 491 HE2 PHE 66 HE2 PHE 66 -5.198 -1.888 8.278 492 HZ PHE 66 HZ PHE 66 -5.195 -2.547 5.888 493 H ARG 67 H ARG 67 0.656 1.470 9.912 494 HA ARG 67 HA ARG 67 0.863 4.250 10.233 495 HB2 ARG 67 HB3 ARG 67 1.740 2.543 11.830 496 HB3 ARG 67 HB2 ARG 67 3.057 2.209 10.712 497 HG2 ARG 67 HG3 ARG 67 4.029 3.737 12.196 498 HG3 ARG 67 HG2 ARG 67 3.509 4.777 10.878 499 HD2 ARG 67 HD3 ARG 67 1.440 5.320 12.115 500 HD3 ARG 67 HD2 ARG 67 1.962 4.277 13.435 501 HE ARG 67 HE ARG 67 4.032 6.154 12.975 502 HH11 ARG 67 HH11 ARG 67 4.179 7.985 14.292 503 HH12 ARG 67 HH12 ARG 67 2.780 8.527 15.158 504 HH21 ARG 67 HH21 ARG 67 0.730 6.003 13.955 505 HH22 ARG 67 HH22 ARG 67 0.828 7.404 14.967 506 H SER 68 H SER 68 2.758 2.121 8.096 507 HA SER 68 HA SER 68 3.519 4.505 6.525 508 HB2 SER 68 HB3 SER 68 5.890 4.085 6.631 509 HB3 SER 68 HB2 SER 68 5.298 4.169 8.287 510 HG SER 68 HG SER 68 5.181 1.672 7.130 511 H ILE 69 H ILE 69 4.651 3.834 4.462 512 HA ILE 69 HA ILE 69 3.204 1.818 3.099 513 HB ILE 69 HB ILE 69 5.902 3.032 2.442 514 HG12 ILE 69 HG13 ILE 69 3.163 3.751 1.402 515 HG13 ILE 69 HG12 ILE 69 3.939 4.599 2.732 516 HG21 ILE 69 HG21 ILE 69 3.915 1.442 0.831 517 HG22 ILE 69 HG22 ILE 69 5.610 1.057 1.128 518 HG23 ILE 69 HG23 ILE 69 5.180 2.422 0.097 519 HD11 ILE 69 HD11 ILE 69 5.016 4.322 -0.085 520 HD12 ILE 69 HD12 ILE 69 5.876 5.093 1.247 521 HD13 ILE 69 HD13 ILE 69 4.374 5.794 0.644 522 H ARG 70 H ARG 70 6.348 1.709 4.744 523 HA ARG 70 HA ARG 70 7.199 -0.826 3.776 524 HB2 ARG 70 HB3 ARG 70 7.705 0.498 6.457 525 HB3 ARG 70 HB2 ARG 70 8.579 -0.912 5.857 526 HG2 ARG 70 HG3 ARG 70 9.264 0.421 3.855 527 HG3 ARG 70 HG2 ARG 70 8.492 1.834 4.573 528 HD2 ARG 70 HD3 ARG 70 10.778 0.244 5.774 529 HD3 ARG 70 HD2 ARG 70 10.886 1.862 5.079 530 HE ARG 70 HE ARG 70 8.931 2.016 7.091 531 HH11 ARG 70 HH11 ARG 70 9.477 2.713 9.171 532 HH12 ARG 70 HH12 ARG 70 11.118 2.588 9.710 533 HH21 ARG 70 HH21 ARG 70 12.263 1.201 6.745 534 HH22 ARG 70 HH22 ARG 70 12.696 1.732 8.336 535 H SER 71 H SER 71 5.094 0.013 6.525 536 HA SER 71 HA SER 71 4.891 -2.612 7.612 537 HB2 SER 71 HB3 SER 71 2.802 -0.417 7.569 538 HB3 SER 71 HB2 SER 71 2.824 -1.798 8.658 539 HG SER 71 HG SER 71 4.652 0.357 8.481 540 H ILE 72 H ILE 72 2.980 -0.955 5.102 541 HA ILE 72 HA ILE 72 1.119 -3.082 4.683 542 HB ILE 72 HB ILE 72 2.101 -0.954 2.759 543 HG12 ILE 72 HG13 ILE 72 -0.331 -1.012 4.577 544 HG13 ILE 72 HG12 ILE 72 1.140 -0.093 4.901 545 HG21 ILE 72 HG21 ILE 72 0.965 -2.793 1.617 546 HG22 ILE 72 HG22 ILE 72 -0.077 -1.371 1.644 547 HG23 ILE 72 HG23 ILE 72 -0.371 -2.702 2.762 548 HD11 ILE 72 HD11 ILE 72 0.825 1.219 2.878 549 HD12 ILE 72 HD12 ILE 72 -0.658 1.281 3.831 550 HD13 ILE 72 HD13 ILE 72 -0.563 0.234 2.416 551 H ASP 73 H ASP 73 4.290 -2.336 3.282 552 HA ASP 73 HA ASP 73 4.317 -4.250 1.207 553 HB2 ASP 73 HB3 ASP 73 6.557 -3.256 2.992 554 HB3 ASP 73 HB2 ASP 73 6.811 -4.230 1.548 555 H ALA 74 H ALA 74 4.954 -4.613 4.678 556 HA ALA 74 HA ALA 74 5.913 -7.301 4.582 557 HB1 ALA 74 HB1 ALA 74 5.931 -5.694 6.581 558 HB2 ALA 74 HB2 ALA 74 5.510 -7.370 6.934 559 HB3 ALA 74 HB3 ALA 74 4.244 -6.147 6.825 560 H PHE 75 H PHE 75 2.624 -5.975 4.922 561 HA PHE 75 HA PHE 75 1.311 -8.513 5.162 562 HB2 PHE 75 HB3 PHE 75 0.232 -6.326 5.677 563 HB3 PHE 75 HB2 PHE 75 0.215 -5.968 3.953 564 HD1 PHE 75 HD1 PHE 75 -1.352 -7.027 2.460 565 HD2 PHE 75 HD2 PHE 75 -1.109 -8.217 6.580 566 HE1 PHE 75 HE1 PHE 75 -3.456 -8.315 2.212 567 HE2 PHE 75 HE2 PHE 75 -3.213 -9.506 6.331 568 HZ PHE 75 HZ PHE 75 -4.387 -9.555 4.147 569 H VAL 76 H VAL 76 1.941 -6.435 2.332 570 HA VAL 76 HA VAL 76 0.779 -8.200 0.409 571 HB VAL 76 HB VAL 76 2.924 -6.073 0.183 572 HG11 VAL 76 HG11 VAL 76 1.542 -7.749 -1.915 573 HG12 VAL 76 HG12 VAL 76 3.274 -7.527 -1.671 574 HG13 VAL 76 HG13 VAL 76 2.292 -6.198 -2.289 575 HG21 VAL 76 HG21 VAL 76 0.091 -6.005 0.477 576 HG22 VAL 76 HG22 VAL 76 0.455 -5.530 -1.182 577 HG23 VAL 76 HG23 VAL 76 1.177 -4.650 0.164 578 H VAL 77 H VAL 77 4.074 -7.879 1.699 579 HA VAL 77 HA VAL 77 5.376 -9.700 -0.022 580 HB VAL 77 HB VAL 77 5.843 -8.993 2.880 581 HG11 VAL 77 HG11 VAL 77 7.448 -10.700 0.973 582 HG12 VAL 77 HG12 VAL 77 6.848 -11.137 2.571 583 HG13 VAL 77 HG13 VAL 77 8.149 -9.957 2.411 584 HG21 VAL 77 HG21 VAL 77 7.747 -8.248 0.740 585 HG22 VAL 77 HG22 VAL 77 7.136 -7.285 2.086 586 HG23 VAL 77 HG23 VAL 77 6.165 -7.477 0.627 587 H GLY 78 H GLY 78 3.657 -10.266 3.049 588 HA2 GLY 78 HA3 GLY 78 4.184 -13.077 3.175 589 HA3 GLY 78 HA2 GLY 78 2.865 -12.256 4.005 590 H ALA 79 H ALA 79 1.483 -11.242 1.738 591 HA ALA 79 HA ALA 79 0.072 -13.659 0.931 592 HB1 ALA 79 HB1 ALA 79 -0.604 -10.980 1.159 593 HB2 ALA 79 HB2 ALA 79 -1.610 -12.231 0.427 594 HB3 ALA 79 HB3 ALA 79 -0.564 -11.237 -0.586 595 H THR 80 H THR 80 1.944 -11.181 -0.802 596 HA THR 80 HA THR 80 2.488 -13.217 -2.922 597 HB THR 80 HB THR 80 2.269 -11.551 -4.630 598 HG1 THR 80 HG1 THR 80 2.262 -9.442 -4.208 599 HG21 THR 80 HG21 THR 80 -0.030 -10.546 -3.119 600 HG22 THR 80 HG22 THR 80 0.137 -12.300 -3.032 601 HG23 THR 80 HG23 THR 80 0.010 -11.503 -4.600 602 H THR 81 H THR 81 4.618 -12.869 -3.973 603 HA THR 81 HA THR 81 6.413 -11.040 -2.469 604 HB THR 81 HB THR 81 6.787 -13.066 -1.311 605 HG1 THR 81 HG1 THR 81 8.832 -12.845 -1.633 606 HG21 THR 81 HG21 THR 81 5.704 -14.753 -2.468 607 HG22 THR 81 HG22 THR 81 7.383 -15.144 -2.843 608 HG23 THR 81 HG23 THR 81 6.396 -14.279 -4.020 609 HA PRO 82 HA PRO 82 7.183 -10.756 -7.010 610 HB2 PRO 82 HB3 PRO 82 7.864 -7.973 -6.415 611 HB3 PRO 82 HB2 PRO 82 6.608 -8.604 -7.489 612 HG2 PRO 82 HG3 PRO 82 6.096 -7.343 -5.137 613 HG3 PRO 82 HG2 PRO 82 5.016 -8.536 -5.876 614 HD2 PRO 82 HD3 PRO 82 6.879 -8.863 -3.560 615 HD3 PRO 82 HD2 PRO 82 5.306 -9.635 -3.868 616 HA PRO 83 HA PRO 83 11.615 -10.778 -7.085 617 HB2 PRO 83 HB3 PRO 83 11.892 -8.279 -8.642 618 HB3 PRO 83 HB2 PRO 83 12.373 -9.929 -9.069 619 HG2 PRO 83 HG3 PRO 83 10.281 -8.686 -10.212 620 HG3 PRO 83 HG2 PRO 83 10.338 -10.438 -9.960 621 HD2 PRO 83 HD3 PRO 83 8.794 -8.370 -8.457 622 HD3 PRO 83 HD2 PRO 83 8.381 -10.064 -8.799 623 H VAL 84 H VAL 84 13.421 -9.937 -5.933 624 HA VAL 84 HA VAL 84 12.949 -7.333 -4.529 625 HB VAL 84 HB VAL 84 13.976 -8.276 -2.535 626 HG11 VAL 84 HG11 VAL 84 11.536 -9.208 -3.702 627 HG12 VAL 84 HG12 VAL 84 11.930 -9.034 -1.992 628 HG13 VAL 84 HG13 VAL 84 12.274 -10.549 -2.827 629 HG21 VAL 84 HG21 VAL 84 15.592 -9.812 -3.147 630 HG22 VAL 84 HG22 VAL 84 14.602 -10.494 -4.437 631 HG23 VAL 84 HG23 VAL 84 14.282 -10.926 -2.757 632 H GLU 85 H GLU 85 14.720 -5.970 -4.371 633 HA GLU 85 HA GLU 85 17.357 -6.970 -5.279 634 HB2 GLU 85 HB3 GLU 85 15.938 -4.554 -6.444 635 HB3 GLU 85 HB2 GLU 85 17.618 -4.986 -6.763 636 HG2 GLU 85 HG3 GLU 85 15.226 -6.750 -7.365 637 HG3 GLU 85 HG2 GLU 85 16.104 -5.793 -8.558 638 H ALA 86 H ALA 86 15.457 -4.311 -3.893 639 HA ALA 86 HA ALA 86 16.854 -3.897 -1.566 640 HB1 ALA 86 HB1 ALA 86 18.969 -3.470 -2.363 641 HB2 ALA 86 HB2 ALA 86 18.318 -1.837 -2.493 642 HB3 ALA 86 HB3 ALA 86 18.376 -2.878 -3.915 643 H LYS 87 H LYS 87 14.814 -3.065 -0.970 644 HA LYS 87 HA LYS 87 13.362 -1.065 -2.363 645 HB2 LYS 87 HB3 LYS 87 12.473 -2.432 -0.458 646 HB3 LYS 87 HB2 LYS 87 13.454 -1.465 0.643 647 HG2 LYS 87 HG3 LYS 87 12.292 0.583 -0.153 648 HG3 LYS 87 HG2 LYS 87 11.274 -0.418 -1.189 649 HD2 LYS 87 HD3 LYS 87 10.527 -1.668 0.858 650 HD3 LYS 87 HD2 LYS 87 11.419 -0.504 1.837 651 HE2 LYS 87 HE3 LYS 87 8.979 0.053 1.595 652 HE3 LYS 87 HE2 LYS 87 10.053 1.325 1.013 653 HZ1 LYS 87 HZ1 LYS 87 9.437 -0.599 -1.010 654 HZ2 LYS 87 HZ2 LYS 87 9.298 1.094 -1.048 655 HZ3 LYS 87 HZ3 LYS 87 8.042 0.150 -0.402 656 H LEU 88 H LEU 88 15.936 -0.787 0.061 657 HA LEU 88 HA LEU 88 15.859 2.175 -0.258 658 HB2 LEU 88 HB3 LEU 88 15.836 1.219 2.060 659 HB3 LEU 88 HB2 LEU 88 17.417 0.509 1.740 660 HG LEU 88 HG LEU 88 18.245 2.840 1.185 661 HD11 LEU 88 HD11 LEU 88 15.444 3.448 2.086 662 HD12 LEU 88 HD12 LEU 88 16.367 4.154 0.761 663 HD13 LEU 88 HD13 LEU 88 16.731 4.603 2.426 664 HD21 LEU 88 HD21 LEU 88 18.225 3.553 3.648 665 HD22 LEU 88 HD22 LEU 88 18.853 1.941 3.310 666 HD23 LEU 88 HD23 LEU 88 17.218 2.135 3.942 667 H GLN 89 H GLN 89 17.448 3.169 -1.426 668 HA GLN 89 HA GLN 89 20.148 2.190 -1.608 669 HB2 GLN 89 HB3 GLN 89 18.977 0.509 -3.060 670 HB3 GLN 89 HB2 GLN 89 18.470 1.833 -4.110 671 HG2 GLN 89 HG3 GLN 89 20.818 2.428 -4.524 672 HG3 GLN 89 HG2 GLN 89 21.346 1.136 -3.445 673 HE21 GLN 89 HE21 GLN 89 22.304 0.917 -6.000 674 HE22 GLN 89 HE22 GLN 89 21.476 -0.285 -6.866 675 H3 7V9 101 1H1 NIA 101 -10.968 1.554 7.907 676 H4 7V9 101 2H1 NIA 101 -12.363 1.183 8.921 677 H5 7V9 101 1HE1 NIA 101 -10.116 1.653 12.029 678 H6 7V9 101 2HE1 NIA 101 -11.485 2.515 11.327 679 H7 7V9 101 3HE1 NIA 101 -9.837 2.996 10.920 680 H8 7V9 101 2HE2 NIA 101 -8.851 1.901 8.774 681 H9 7V9 101 3HE2 NIA 101 -8.990 0.143 8.833 682 H10 7V9 101 1HE2 NIA 101 -8.362 1.025 10.225 683 H11 7V9 101 3H NIA 101 -11.276 -0.771 9.578 684 H12 7V9 101 3HO NIA 101 -12.047 0.879 11.665 685 H13 7V9 101 5H NIA 101 -8.070 -1.443 10.481 686 H14 7V9 101 1H6 NIA 101 -9.028 -3.710 10.081 687 H15 7V9 101 2H6 NIA 101 -10.600 -2.931 9.904 688 H16 7V9 101 1H7 NIA 101 -8.392 -2.061 8.083 689 H17 7V9 101 2H7 NIA 101 -10.128 -2.148 7.780 690 H18 7V9 101 9H NIA 101 -7.206 -4.593 7.382 691 H19 7V9 101 1H10 NIA 101 -8.940 -3.826 5.077 692 H20 7V9 101 2H10 NIA 101 -7.351 -3.084 5.266 693 H21 7V9 101 1H11 NIA 101 -7.991 -5.580 4.030 694 H22 7V9 101 2H11 NIA 101 -7.035 -5.920 5.470 695 H25 7V9 101 5H1 NIA 101 -3.254 -5.272 3.235 696 H26 7V9 101 7H1 NIA 101 -2.065 -4.274 -0.661 697 H27 7V9 101 8H1 NIA 101 -4.390 -4.530 -1.484 698 H28 7V9 101 9H1 NIA 101 -6.134 -5.393 0.065 Start of MODEL 19 1 H1 MET 1 H1 MET 1 13.876 -5.079 4.622 2 H2 MET 1 H2 MET 1 13.912 -6.322 3.465 3 H3 MET 1 H3 MET 1 12.605 -6.200 4.543 4 HA MET 1 HA MET 1 11.546 -4.703 3.307 5 HB2 MET 1 HB3 MET 1 14.292 -3.489 2.947 6 HB3 MET 1 HB2 MET 1 12.848 -2.825 2.181 7 HG2 MET 1 HG3 MET 1 11.779 -2.633 4.412 8 HG3 MET 1 HG2 MET 1 13.263 -3.226 5.155 9 HE1 MET 1 HE1 MET 1 15.531 -1.536 3.092 10 HE2 MET 1 HE2 MET 1 15.440 -2.414 4.617 11 HE3 MET 1 HE3 MET 1 15.889 -0.710 4.615 12 H GLN 2 H GLN 2 10.856 -6.166 1.778 13 HA GLN 2 HA GLN 2 12.661 -6.777 -0.509 14 HB2 GLN 2 HB3 GLN 2 11.459 -8.654 0.624 15 HB3 GLN 2 HB2 GLN 2 9.927 -7.915 0.160 16 HG2 GLN 2 HG3 GLN 2 10.525 -8.106 -2.208 17 HG3 GLN 2 HG2 GLN 2 12.090 -8.795 -1.775 18 HE21 GLN 2 HE21 GLN 2 10.541 -10.403 -3.373 19 HE22 GLN 2 HE22 GLN 2 9.859 -11.675 -2.480 20 H HIS 3 H HIS 3 12.473 -5.469 -2.268 21 HA HIS 3 HA HIS 3 11.554 -3.893 -3.752 22 HB2 HIS 3 HB3 HIS 3 9.045 -5.524 -3.243 23 HB3 HIS 3 HB2 HIS 3 9.343 -4.476 -4.631 24 HD1 HIS 3 HD1 HIS 3 12.078 -5.217 -5.553 25 HD2 HIS 3 HD2 HIS 3 9.387 -8.099 -4.190 26 HE1 HIS 3 HE1 HIS 3 12.832 -7.427 -6.538 27 HE2 HIS 3 HE2 HIS 3 11.203 -9.188 -5.713 28 H ALA 4 H ALA 4 11.586 -3.166 -0.958 29 HA ALA 4 HA ALA 4 9.123 -2.075 -0.042 30 HB1 ALA 4 HB1 ALA 4 12.016 -1.510 0.503 31 HB2 ALA 4 HB2 ALA 4 10.764 -2.085 1.604 32 HB3 ALA 4 HB3 ALA 4 10.798 -0.391 1.116 33 H SER 5 H SER 5 11.582 -0.775 -2.237 34 HA SER 5 HA SER 5 10.642 1.902 -2.342 35 HB2 SER 5 HB3 SER 5 12.776 1.054 -3.370 36 HB3 SER 5 HB2 SER 5 11.810 0.319 -4.647 37 HG SER 5 HG SER 5 11.640 3.061 -3.952 38 H VAL 6 H VAL 6 9.624 -0.976 -4.158 39 HA VAL 6 HA VAL 6 7.789 0.392 -5.886 40 HB VAL 6 HB VAL 6 7.859 -2.456 -4.884 41 HG11 VAL 6 HG11 VAL 6 6.271 -2.867 -6.821 42 HG12 VAL 6 HG12 VAL 6 6.042 -1.121 -6.908 43 HG13 VAL 6 HG13 VAL 6 5.563 -2.004 -5.458 44 HG21 VAL 6 HG21 VAL 6 9.554 -1.227 -6.594 45 HG22 VAL 6 HG22 VAL 6 8.287 -1.699 -7.726 46 HG23 VAL 6 HG23 VAL 6 9.103 -2.924 -6.756 47 H ILE 7 H ILE 7 7.432 -1.065 -2.680 48 HA ILE 7 HA ILE 7 4.617 -0.775 -2.442 49 HB ILE 7 HB ILE 7 6.746 -0.582 -0.293 50 HG12 ILE 7 HG13 ILE 7 5.087 -2.954 -1.208 51 HG13 ILE 7 HG12 ILE 7 6.751 -2.662 -1.714 52 HG21 ILE 7 HG21 ILE 7 4.758 -1.492 1.096 53 HG22 ILE 7 HG22 ILE 7 3.744 -0.917 -0.228 54 HG23 ILE 7 HG23 ILE 7 4.738 0.221 0.679 55 HD11 ILE 7 HD11 ILE 7 5.818 -3.888 0.702 56 HD12 ILE 7 HD12 ILE 7 6.674 -2.404 1.115 57 HD13 ILE 7 HD13 ILE 7 7.481 -3.651 0.165 58 H ALA 8 H ALA 8 7.220 1.455 -1.421 59 HA ALA 8 HA ALA 8 5.453 3.542 -0.555 60 HB1 ALA 8 HB1 ALA 8 8.296 3.170 -0.889 61 HB2 ALA 8 HB2 ALA 8 7.450 4.332 0.132 62 HB3 ALA 8 HB3 ALA 8 7.821 4.736 -1.544 63 H GLN 9 H GLN 9 7.107 2.940 -3.634 64 HA GLN 9 HA GLN 9 6.087 5.251 -4.991 65 HB2 GLN 9 HB3 GLN 9 8.018 3.893 -5.788 66 HB3 GLN 9 HB2 GLN 9 6.909 2.572 -6.153 67 HG2 GLN 9 HG3 GLN 9 5.762 4.806 -7.384 68 HG3 GLN 9 HG2 GLN 9 7.490 4.964 -7.702 69 HE21 GLN 9 HE21 GLN 9 5.094 2.254 -7.600 70 HE22 GLN 9 HE22 GLN 9 5.634 1.535 -9.041 71 H PHE 10 H PHE 10 4.897 1.936 -4.662 72 HA PHE 10 HA PHE 10 2.749 2.087 -6.513 73 HB2 PHE 10 HB3 PHE 10 3.604 0.002 -5.411 74 HB3 PHE 10 HB2 PHE 10 2.827 0.522 -3.918 75 HD1 PHE 10 HD1 PHE 10 2.272 -0.606 -7.389 76 HD2 PHE 10 HD2 PHE 10 0.424 0.425 -3.653 77 HE1 PHE 10 HE1 PHE 10 0.142 -1.609 -8.168 78 HE2 PHE 10 HE2 PHE 10 -1.709 -0.574 -4.432 79 HZ PHE 10 HZ PHE 10 -1.846 -1.598 -6.687 80 H VAL 11 H VAL 11 2.712 2.612 -2.979 81 HA VAL 11 HA VAL 11 -0.035 3.556 -3.020 82 HB VAL 11 HB VAL 11 1.266 2.518 -1.035 83 HG11 VAL 11 HG11 VAL 11 2.532 4.002 0.340 84 HG12 VAL 11 HG12 VAL 11 2.024 5.412 -0.590 85 HG13 VAL 11 HG13 VAL 11 3.137 4.242 -1.298 86 HG21 VAL 11 HG21 VAL 11 -0.774 3.139 -0.249 87 HG22 VAL 11 HG22 VAL 11 -0.743 4.668 -1.128 88 HG23 VAL 11 HG23 VAL 11 0.077 4.529 0.427 89 H VAL 12 H VAL 12 3.150 5.122 -2.908 90 HA VAL 12 HA VAL 12 2.160 7.794 -2.601 91 HB VAL 12 HB VAL 12 4.740 6.795 -3.810 92 HG11 VAL 12 HG11 VAL 12 4.304 9.073 -4.533 93 HG12 VAL 12 HG12 VAL 12 5.549 9.103 -3.287 94 HG13 VAL 12 HG13 VAL 12 3.891 9.551 -2.889 95 HG21 VAL 12 HG21 VAL 12 4.515 8.068 -1.117 96 HG22 VAL 12 HG22 VAL 12 5.631 6.822 -1.675 97 HG23 VAL 12 HG23 VAL 12 3.964 6.401 -1.283 98 H GLU 13 H GLU 13 2.925 5.857 -5.479 99 HA GLU 13 HA GLU 13 2.661 7.883 -7.428 100 HB2 GLU 13 HB3 GLU 13 3.441 5.578 -7.916 101 HB3 GLU 13 HB2 GLU 13 1.793 5.004 -7.699 102 HG2 GLU 13 HG3 GLU 13 1.042 6.514 -9.514 103 HG3 GLU 13 HG2 GLU 13 2.713 7.017 -9.753 104 H GLU 14 H GLU 14 0.232 6.219 -5.560 105 HA GLU 14 HA GLU 14 -2.027 6.849 -7.203 106 HB2 GLU 14 HB3 GLU 14 -2.063 5.183 -5.357 107 HB3 GLU 14 HB2 GLU 14 -1.925 6.500 -4.194 108 HG2 GLU 14 HG3 GLU 14 -4.025 7.480 -5.107 109 HG3 GLU 14 HG2 GLU 14 -4.179 6.084 -6.175 110 H PHE 15 H PHE 15 -0.258 8.692 -4.770 111 HA PHE 15 HA PHE 15 -1.779 11.093 -5.619 112 HB2 PHE 15 HB3 PHE 15 -1.867 11.788 -3.144 113 HB3 PHE 15 HB2 PHE 15 -3.015 10.558 -3.667 114 HD1 PHE 15 HD1 PHE 15 0.061 11.204 -1.737 115 HD2 PHE 15 HD2 PHE 15 -2.769 8.232 -3.000 116 HE1 PHE 15 HE1 PHE 15 0.966 9.627 -0.052 117 HE2 PHE 15 HE2 PHE 15 -1.862 6.653 -1.318 118 HZ PHE 15 HZ PHE 15 0.006 7.350 0.158 119 H LEU 16 H LEU 16 0.844 10.427 -6.348 120 HA LEU 16 HA LEU 16 2.696 11.742 -4.532 121 HB2 LEU 16 HB3 LEU 16 4.364 10.909 -5.843 122 HB3 LEU 16 HB2 LEU 16 3.085 9.831 -6.363 123 HG LEU 16 HG LEU 16 3.942 12.373 -7.793 124 HD11 LEU 16 HD11 LEU 16 5.598 10.978 -8.472 125 HD12 LEU 16 HD12 LEU 16 4.343 10.304 -9.511 126 HD13 LEU 16 HD13 LEU 16 4.720 9.532 -7.971 127 HD21 LEU 16 HD21 LEU 16 2.314 10.392 -9.226 128 HD22 LEU 16 HD22 LEU 16 2.130 12.144 -9.151 129 HD23 LEU 16 HD23 LEU 16 1.457 11.131 -7.878 130 HA PRO 17 HA PRO 17 1.858 15.787 -6.263 131 HB2 PRO 17 HB3 PRO 17 3.801 17.187 -4.952 132 HB3 PRO 17 HB2 PRO 17 2.330 16.619 -4.147 133 HG2 PRO 17 HG3 PRO 17 5.071 15.469 -4.103 134 HG3 PRO 17 HG2 PRO 17 3.889 15.624 -2.795 135 HD2 PRO 17 HD3 PRO 17 4.336 13.286 -4.174 136 HD3 PRO 17 HD2 PRO 17 2.801 13.687 -3.374 137 H ASP 18 H ASP 18 4.197 17.595 -6.594 138 HA ASP 18 HA ASP 18 5.103 16.586 -9.169 139 HB2 ASP 18 HB3 ASP 18 6.270 18.727 -9.336 140 HB3 ASP 18 HB2 ASP 18 4.628 18.997 -8.761 141 H VAL 19 H VAL 19 5.934 15.499 -6.314 142 HA VAL 19 HA VAL 19 8.880 15.487 -6.847 143 HB VAL 19 HB VAL 19 7.426 14.916 -4.248 144 HG11 VAL 19 HG11 VAL 19 9.497 13.798 -4.151 145 HG12 VAL 19 HG12 VAL 19 9.848 15.361 -3.412 146 HG13 VAL 19 HG13 VAL 19 10.319 15.050 -5.083 147 HG21 VAL 19 HG21 VAL 19 8.654 17.158 -3.669 148 HG22 VAL 19 HG22 VAL 19 7.130 17.224 -4.555 149 HG23 VAL 19 HG23 VAL 19 8.659 17.403 -5.416 150 H ALA 20 H ALA 20 9.845 13.513 -7.217 151 HA ALA 20 HA ALA 20 8.174 11.223 -7.734 152 HB1 ALA 20 HB1 ALA 20 10.139 11.396 -9.054 153 HB2 ALA 20 HB2 ALA 20 10.453 10.053 -7.955 154 HB3 ALA 20 HB3 ALA 20 11.161 11.636 -7.637 155 HA PRO 21 HA PRO 21 7.840 9.426 -3.650 156 HB2 PRO 21 HB3 PRO 21 8.579 6.848 -4.946 157 HB3 PRO 21 HB2 PRO 21 7.177 7.241 -3.936 158 HG2 PRO 21 HG3 PRO 21 7.029 6.949 -6.611 159 HG3 PRO 21 HG2 PRO 21 5.965 8.023 -5.690 160 HD2 PRO 21 HD3 PRO 21 8.158 8.721 -7.541 161 HD3 PRO 21 HD2 PRO 21 6.780 9.697 -6.986 162 H ALA 22 H ALA 22 10.593 8.618 -5.708 163 HA ALA 22 HA ALA 22 12.270 7.518 -3.653 164 HB1 ALA 22 HB1 ALA 22 14.061 8.560 -5.406 165 HB2 ALA 22 HB2 ALA 22 12.619 8.527 -6.422 166 HB3 ALA 22 HB3 ALA 22 13.212 7.039 -5.684 167 H ASP 23 H ASP 23 11.442 10.775 -4.568 168 HA ASP 23 HA ASP 23 13.597 11.884 -2.853 169 HB2 ASP 23 HB3 ASP 23 11.617 13.199 -4.736 170 HB3 ASP 23 HB2 ASP 23 12.775 14.090 -3.749 171 H VAL 24 H VAL 24 10.651 10.637 -2.346 172 HA VAL 24 HA VAL 24 9.794 12.746 -0.419 173 HB VAL 24 HB VAL 24 8.308 10.290 -1.412 174 HG11 VAL 24 HG11 VAL 24 7.526 10.877 0.786 175 HG12 VAL 24 HG12 VAL 24 6.354 11.525 -0.361 176 HG13 VAL 24 HG13 VAL 24 7.533 12.596 0.394 177 HG21 VAL 24 HG21 VAL 24 8.384 13.173 -2.256 178 HG22 VAL 24 HG22 VAL 24 6.873 12.276 -2.394 179 HG23 VAL 24 HG23 VAL 24 8.307 11.722 -3.256 180 H ASP 25 H ASP 25 9.853 12.314 1.775 181 HA ASP 25 HA ASP 25 11.526 10.195 2.715 182 HB2 ASP 25 HB3 ASP 25 9.523 11.935 4.181 183 HB3 ASP 25 HB2 ASP 25 10.665 10.854 4.980 184 H VAL 26 H VAL 26 10.759 8.169 2.051 185 HA VAL 26 HA VAL 26 8.051 7.296 2.186 186 HB VAL 26 HB VAL 26 8.942 5.038 2.010 187 HG11 VAL 26 HG11 VAL 26 9.619 7.176 0.301 188 HG12 VAL 26 HG12 VAL 26 9.585 5.460 -0.107 189 HG13 VAL 26 HG13 VAL 26 11.084 6.204 0.447 190 HG21 VAL 26 HG21 VAL 26 10.654 4.756 3.535 191 HG22 VAL 26 HG22 VAL 26 11.332 6.354 3.228 192 HG23 VAL 26 HG23 VAL 26 11.622 5.040 2.089 193 H ASP 27 H ASP 27 9.918 8.326 4.685 194 HA ASP 27 HA ASP 27 9.041 6.324 6.666 195 HB2 ASP 27 HB3 ASP 27 10.589 8.920 6.936 196 HB3 ASP 27 HB2 ASP 27 10.218 7.842 8.283 197 H LEU 28 H LEU 28 7.377 8.493 5.050 198 HA LEU 28 HA LEU 28 6.118 9.990 7.234 199 HB2 LEU 28 HB3 LEU 28 6.347 10.910 4.915 200 HB3 LEU 28 HB2 LEU 28 5.219 9.678 4.359 201 HG LEU 28 HG LEU 28 3.558 10.548 6.048 202 HD11 LEU 28 HD11 LEU 28 4.394 11.925 7.632 203 HD12 LEU 28 HD12 LEU 28 4.441 13.173 6.387 204 HD13 LEU 28 HD13 LEU 28 5.874 12.201 6.714 205 HD21 LEU 28 HD21 LEU 28 2.750 11.637 4.251 206 HD22 LEU 28 HD22 LEU 28 4.357 11.626 3.525 207 HD23 LEU 28 HD23 LEU 28 3.862 12.971 4.555 208 H ASP 29 H ASP 29 4.290 9.393 8.315 209 HA ASP 29 HA ASP 29 3.343 6.692 8.091 210 HB2 ASP 29 HB3 ASP 29 2.157 9.110 9.485 211 HB3 ASP 29 HB2 ASP 29 1.547 7.465 9.665 212 H LEU 30 H LEU 30 1.975 5.921 6.570 213 HA LEU 30 HA LEU 30 0.785 7.553 4.580 214 HB2 LEU 30 HB3 LEU 30 -0.070 4.784 5.490 215 HB3 LEU 30 HB2 LEU 30 -0.528 5.548 3.968 216 HG LEU 30 HG LEU 30 2.303 4.885 4.834 217 HD11 LEU 30 HD11 LEU 30 0.242 3.355 3.524 218 HD12 LEU 30 HD12 LEU 30 1.885 2.863 3.935 219 HD13 LEU 30 HD13 LEU 30 1.561 3.651 2.390 220 HD21 LEU 30 HD21 LEU 30 1.124 6.474 2.595 221 HD22 LEU 30 HD22 LEU 30 2.498 5.437 2.215 222 HD23 LEU 30 HD23 LEU 30 2.657 6.694 3.441 223 H VAL 31 H VAL 31 -0.129 7.040 7.828 224 HA VAL 31 HA VAL 31 -2.925 7.128 7.771 225 HB VAL 31 HB VAL 31 -0.970 8.473 9.648 226 HG11 VAL 31 HG11 VAL 31 -2.875 9.795 9.980 227 HG12 VAL 31 HG12 VAL 31 -3.121 8.495 11.147 228 HG13 VAL 31 HG13 VAL 31 -3.978 8.471 9.606 229 HG21 VAL 31 HG21 VAL 31 -1.242 6.590 10.987 230 HG22 VAL 31 HG22 VAL 31 -1.397 5.870 9.384 231 HG23 VAL 31 HG23 VAL 31 -2.839 6.229 10.333 232 H ASP 32 H ASP 32 -0.626 9.810 7.412 233 HA ASP 32 HA ASP 32 -2.508 11.931 7.272 234 HB2 ASP 32 HB3 ASP 32 0.027 12.157 7.260 235 HB3 ASP 32 HB2 ASP 32 -0.015 11.691 5.559 236 H ASN 33 H ASN 33 -1.460 9.531 4.940 237 HA ASN 33 HA ASN 33 -3.133 10.646 2.795 238 HB2 ASN 33 HB3 ASN 33 -1.669 8.002 2.868 239 HB3 ASN 33 HB2 ASN 33 -2.259 8.848 1.440 240 HD21 ASN 33 HD21 ASN 33 -1.387 11.522 2.454 241 HD22 ASN 33 HD22 ASN 33 0.304 11.542 2.312 242 H GLY 34 H GLY 34 -4.145 9.554 5.462 243 HA2 GLY 34 HA3 GLY 34 -5.413 7.122 5.393 244 HA3 GLY 34 HA2 GLY 34 -6.191 8.551 6.074 245 H VAL 35 H VAL 35 -5.926 9.673 3.150 246 HA VAL 35 HA VAL 35 -8.608 9.268 2.367 247 HB VAL 35 HB VAL 35 -6.149 9.871 0.695 248 HG11 VAL 35 HG11 VAL 35 -7.744 8.945 -0.831 249 HG12 VAL 35 HG12 VAL 35 -7.891 10.696 -0.978 250 HG13 VAL 35 HG13 VAL 35 -9.081 9.786 -0.048 251 HG21 VAL 35 HG21 VAL 35 -6.470 12.011 1.341 252 HG22 VAL 35 HG22 VAL 35 -7.613 11.398 2.537 253 HG23 VAL 35 HG23 VAL 35 -8.189 11.928 0.956 254 H ILE 36 H ILE 36 -5.682 7.445 1.569 255 HA ILE 36 HA ILE 36 -6.973 5.589 -0.237 256 HB ILE 36 HB ILE 36 -4.442 6.125 0.071 257 HG12 ILE 36 HG13 ILE 36 -5.602 3.357 -0.300 258 HG13 ILE 36 HG12 ILE 36 -5.075 4.493 -1.545 259 HG21 ILE 36 HG21 ILE 36 -4.667 5.470 2.567 260 HG22 ILE 36 HG22 ILE 36 -3.258 4.872 1.691 261 HG23 ILE 36 HG23 ILE 36 -4.631 3.804 1.989 262 HD11 ILE 36 HD11 ILE 36 -3.187 3.199 -1.508 263 HD12 ILE 36 HD12 ILE 36 -3.464 2.661 0.149 264 HD13 ILE 36 HD13 ILE 36 -2.771 4.254 -0.158 265 H ASP 37 H ASP 37 -6.671 5.799 3.235 266 HA ASP 37 HA ASP 37 -7.018 3.051 3.879 267 HB2 ASP 37 HB3 ASP 37 -7.850 5.525 5.414 268 HB3 ASP 37 HB2 ASP 37 -7.878 3.893 6.073 269 H SER 38 H SER 38 -9.381 5.446 2.832 270 HA SER 38 HA SER 38 -11.548 3.496 3.462 271 HB2 SER 38 2HB SER 38 -11.362 6.352 3.611 272 HB3 SER 38 1HB SER 38 -12.628 5.919 2.466 273 H LEU 39 H LEU 39 -10.996 5.878 0.843 274 HA LEU 39 HA LEU 39 -12.549 4.296 -1.002 275 HB2 LEU 39 HB3 LEU 39 -12.302 6.792 -1.116 276 HB3 LEU 39 HB2 LEU 39 -10.644 6.542 -1.651 277 HG LEU 39 HG LEU 39 -12.679 5.005 -3.145 278 HD11 LEU 39 HD11 LEU 39 -13.971 7.011 -2.964 279 HD12 LEU 39 HD12 LEU 39 -13.178 7.088 -4.537 280 HD13 LEU 39 HD13 LEU 39 -12.548 8.028 -3.184 281 HD21 LEU 39 HD21 LEU 39 -11.269 5.813 -5.042 282 HD22 LEU 39 HD22 LEU 39 -10.318 5.007 -3.796 283 HD23 LEU 39 HD23 LEU 39 -10.325 6.768 -3.900 284 H GLY 40 H GLY 40 -9.070 5.036 -0.826 285 HA2 GLY 40 HA3 GLY 40 -8.347 3.313 -2.997 286 HA3 GLY 40 HA2 GLY 40 -7.242 3.913 -1.768 287 H LEU 41 H LEU 41 -8.648 2.761 0.485 288 HA LEU 41 HA LEU 41 -7.395 0.229 0.619 289 HB2 LEU 41 HB3 LEU 41 -8.162 1.541 2.593 290 HB3 LEU 41 HB2 LEU 41 -9.830 1.151 2.176 291 HG LEU 41 HG LEU 41 -7.980 -1.161 2.342 292 HD11 LEU 41 HD11 LEU 41 -8.579 0.654 4.656 293 HD12 LEU 41 HD12 LEU 41 -7.096 -0.219 4.281 294 HD13 LEU 41 HD13 LEU 41 -8.491 -1.084 4.927 295 HD21 LEU 41 HD21 LEU 41 -9.909 -2.282 3.001 296 HD22 LEU 41 HD22 LEU 41 -10.620 -0.977 2.054 297 HD23 LEU 41 HD23 LEU 41 -10.578 -0.868 3.812 298 H LEU 42 H LEU 42 -10.756 1.081 -0.177 299 HA LEU 42 HA LEU 42 -11.691 -1.606 -0.444 300 HB2 LEU 42 HB3 LEU 42 -12.560 0.928 -1.857 301 HB3 LEU 42 HB2 LEU 42 -13.436 -0.592 -1.940 302 HG LEU 42 HG LEU 42 -12.806 0.911 0.612 303 HD11 LEU 42 HD11 LEU 42 -15.592 0.677 0.136 304 HD12 LEU 42 HD12 LEU 42 -14.873 1.267 -1.363 305 HD13 LEU 42 HD13 LEU 42 -14.626 2.153 0.142 306 HD21 LEU 42 HD21 LEU 42 -13.938 -1.741 -0.048 307 HD22 LEU 42 HD22 LEU 42 -14.821 -0.823 1.171 308 HD23 LEU 42 HD23 LEU 42 -13.116 -1.203 1.414 309 H LYS 43 H LYS 43 -10.227 0.638 -2.783 310 HA LYS 43 HA LYS 43 -10.338 -1.219 -4.985 311 HB2 LYS 43 HB3 LYS 43 -8.602 1.205 -4.497 312 HB3 LYS 43 HB2 LYS 43 -8.693 0.341 -6.027 313 HG2 LYS 43 HG3 LYS 43 -11.154 0.766 -6.075 314 HG3 LYS 43 HG2 LYS 43 -10.980 1.737 -4.611 315 HD2 LYS 43 HD3 LYS 43 -9.354 3.196 -5.823 316 HD3 LYS 43 HD2 LYS 43 -9.667 2.272 -7.292 317 HE2 LYS 43 HE3 LYS 43 -11.954 3.483 -5.758 318 HE3 LYS 43 HE2 LYS 43 -11.016 4.472 -6.878 319 HZ1 LYS 43 HZ1 LYS 43 -11.540 2.099 -8.191 320 HZ2 LYS 43 HZ2 LYS 43 -12.231 3.619 -8.502 321 HZ3 LYS 43 HZ3 LYS 43 -13.000 2.534 -7.445 322 H VAL 44 H VAL 44 -7.946 -0.509 -2.482 323 HA VAL 44 HA VAL 44 -5.780 -1.984 -3.624 324 HB VAL 44 HB VAL 44 -6.431 -1.338 -0.738 325 HG11 VAL 44 HG11 VAL 44 -4.762 -2.768 -0.232 326 HG12 VAL 44 HG12 VAL 44 -3.672 -1.634 -1.029 327 HG13 VAL 44 HG13 VAL 44 -4.345 -2.993 -1.931 328 HG21 VAL 44 HG21 VAL 44 -5.819 0.376 -2.768 329 HG22 VAL 44 HG22 VAL 44 -4.203 -0.035 -2.192 330 HG23 VAL 44 HG23 VAL 44 -5.384 0.662 -1.083 331 H ILE 45 H ILE 45 -8.185 -2.997 -1.156 332 HA ILE 45 HA ILE 45 -7.199 -5.648 -0.889 333 HB ILE 45 HB ILE 45 -10.055 -4.662 -0.614 334 HG12 ILE 45 HG13 ILE 45 -8.590 -3.379 0.840 335 HG13 ILE 45 HG12 ILE 45 -9.457 -4.551 1.827 336 HG21 ILE 45 HG21 ILE 45 -8.858 -7.260 -0.406 337 HG22 ILE 45 HG22 ILE 45 -10.543 -6.801 -0.166 338 HG23 ILE 45 HG23 ILE 45 -9.414 -6.751 1.187 339 HD11 ILE 45 HD11 ILE 45 -7.361 -6.070 1.351 340 HD12 ILE 45 HD12 ILE 45 -7.272 -4.823 2.594 341 HD13 ILE 45 HD13 ILE 45 -6.570 -4.533 1.003 342 H ALA 46 H ALA 46 -9.767 -4.355 -3.009 343 HA ALA 46 HA ALA 46 -10.299 -6.873 -4.291 344 HB1 ALA 46 HB1 ALA 46 -11.394 -5.480 -6.040 345 HB2 ALA 46 HB2 ALA 46 -10.718 -4.036 -5.285 346 HB3 ALA 46 HB3 ALA 46 -11.896 -5.016 -4.414 347 H TRP 47 H TRP 47 -7.979 -4.288 -4.871 348 HA TRP 47 HA TRP 47 -7.127 -5.239 -7.468 349 HB2 TRP 47 HB3 TRP 47 -6.641 -2.962 -6.947 350 HB3 TRP 47 HB2 TRP 47 -5.886 -3.399 -5.415 351 HD1 TRP 47 HD1 TRP 47 -5.335 -4.007 -9.194 352 HE1 TRP 47 HE1 TRP 47 -2.797 -4.178 -9.611 353 HE3 TRP 47 HE3 TRP 47 -3.620 -3.612 -4.400 354 HZ2 TRP 47 HZ2 TRP 47 -0.361 -4.146 -8.114 355 HZ3 TRP 47 HZ3 TRP 47 -1.189 -3.686 -3.924 356 HH2 TRP 47 HH2 TRP 47 0.441 -3.952 -5.773 357 H LEU 48 H LEU 48 -5.787 -5.572 -4.179 358 HA LEU 48 HA LEU 48 -3.521 -7.119 -4.888 359 HB2 LEU 48 HB3 LEU 48 -3.989 -6.078 -2.637 360 HB3 LEU 48 HB2 LEU 48 -5.142 -7.366 -2.348 361 HG LEU 48 HG LEU 48 -3.288 -9.010 -2.800 362 HD11 LEU 48 HD11 LEU 48 -1.408 -8.166 -3.702 363 HD12 LEU 48 HD12 LEU 48 -1.075 -7.424 -2.139 364 HD13 LEU 48 HD13 LEU 48 -1.932 -6.516 -3.381 365 HD21 LEU 48 HD21 LEU 48 -3.275 -9.065 -0.548 366 HD22 LEU 48 HD22 LEU 48 -3.821 -7.388 -0.491 367 HD23 LEU 48 HD23 LEU 48 -2.096 -7.753 -0.545 368 H GLU 49 H GLU 49 -6.814 -8.149 -3.970 369 HA GLU 49 HA GLU 49 -6.233 -10.955 -4.215 370 HB2 GLU 49 HB3 GLU 49 -8.135 -10.297 -2.899 371 HB3 GLU 49 HB2 GLU 49 -8.850 -9.435 -4.254 372 HG2 GLU 49 HG3 GLU 49 -9.124 -11.547 -5.469 373 HG3 GLU 49 HG2 GLU 49 -8.366 -12.419 -4.147 374 H ASP 50 H ASP 50 -7.378 -8.514 -6.492 375 HA ASP 50 HA ASP 50 -8.199 -10.260 -8.566 376 HB2 ASP 50 HB3 ASP 50 -8.513 -7.758 -8.499 377 HB3 ASP 50 HB2 ASP 50 -6.818 -7.605 -8.953 378 H ARG 51 H ARG 51 -4.968 -9.044 -7.734 379 HA ARG 51 HA ARG 51 -3.785 -10.405 -10.049 380 HB2 ARG 51 HB3 ARG 51 -2.570 -8.867 -7.744 381 HB3 ARG 51 HB2 ARG 51 -1.642 -9.549 -9.075 382 HG2 ARG 51 HG3 ARG 51 -3.060 -8.229 -10.666 383 HG3 ARG 51 HG2 ARG 51 -3.824 -7.460 -9.273 384 HD2 ARG 51 HD3 ARG 51 -0.892 -7.342 -10.031 385 HD3 ARG 51 HD2 ARG 51 -2.046 -6.011 -10.048 386 HE ARG 51 HE ARG 51 -1.946 -5.929 -7.652 387 HH11 ARG 51 HH11 ARG 51 -0.776 -6.326 -5.768 388 HH12 ARG 51 HH12 ARG 51 0.411 -7.586 -5.748 389 HH21 ARG 51 HH21 ARG 51 -0.119 -8.513 -9.043 390 HH22 ARG 51 HH22 ARG 51 0.783 -8.819 -7.597 391 H PHE 52 H PHE 52 -3.553 -10.774 -6.477 392 HA PHE 52 HA PHE 52 -2.071 -13.294 -6.883 393 HB2 PHE 52 HB3 PHE 52 -1.669 -11.459 -5.048 394 HB3 PHE 52 HB2 PHE 52 -2.948 -12.314 -4.191 395 HD1 PHE 52 HD1 PHE 52 -2.692 -14.869 -3.885 396 HD2 PHE 52 HD2 PHE 52 0.533 -12.296 -5.074 397 HE1 PHE 52 HE1 PHE 52 -1.059 -16.601 -3.200 398 HE2 PHE 52 HE2 PHE 52 2.167 -14.029 -4.391 399 HZ PHE 52 HZ PHE 52 1.371 -16.183 -3.453 400 H GLY 53 H GLY 53 -5.338 -12.302 -6.103 401 HA2 GLY 53 HA3 GLY 53 -7.262 -13.697 -6.078 402 HA3 GLY 53 HA2 GLY 53 -6.209 -15.087 -6.312 403 H ILE 54 H ILE 54 -6.361 -12.617 -3.728 404 HA ILE 54 HA ILE 54 -6.462 -14.850 -1.746 405 HB ILE 54 HB ILE 54 -5.620 -11.956 -1.381 406 HG12 ILE 54 HG13 ILE 54 -3.882 -14.420 -1.232 407 HG13 ILE 54 HG12 ILE 54 -4.141 -13.561 -2.748 408 HG21 ILE 54 HG21 ILE 54 -6.376 -12.629 0.728 409 HG22 ILE 54 HG22 ILE 54 -4.673 -13.081 0.787 410 HG23 ILE 54 HG23 ILE 54 -5.900 -14.308 0.473 411 HD11 ILE 54 HD11 ILE 54 -3.285 -11.493 -1.761 412 HD12 ILE 54 HD12 ILE 54 -2.094 -12.778 -1.563 413 HD13 ILE 54 HD13 ILE 54 -3.100 -12.293 -0.198 414 H ALA 55 H ALA 55 -8.152 -14.881 -0.249 415 HA ALA 55 HA ALA 55 -10.597 -13.586 -0.931 416 HB1 ALA 55 HB1 ALA 55 -11.187 -14.252 1.531 417 HB2 ALA 55 HB2 ALA 55 -9.618 -15.058 1.506 418 HB3 ALA 55 HB3 ALA 55 -10.871 -15.529 0.355 419 H ALA 56 H ALA 56 -11.546 -11.702 -0.163 420 HA ALA 56 HA ALA 56 -9.850 -9.594 0.740 421 HB1 ALA 56 HB1 ALA 56 -11.818 -8.922 -0.385 422 HB2 ALA 56 HB2 ALA 56 -12.121 -8.478 1.295 423 HB3 ALA 56 HB3 ALA 56 -12.846 -9.939 0.623 424 H ASP 57 H ASP 57 -11.781 -11.967 2.462 425 HA ASP 57 HA ASP 57 -11.532 -10.580 5.032 426 HB2 ASP 57 HB3 ASP 57 -12.522 -13.340 4.300 427 HB3 ASP 57 HB2 ASP 57 -12.558 -12.682 5.934 428 H ASP 58 H ASP 58 -9.351 -12.192 3.178 429 HA ASP 58 HA ASP 58 -8.096 -14.056 4.883 430 HB2 ASP 58 HB3 ASP 58 -7.494 -13.580 2.479 431 HB3 ASP 58 HB2 ASP 58 -6.647 -12.144 3.052 432 H VAL 59 H VAL 59 -8.012 -10.545 4.912 433 HA VAL 59 HA VAL 59 -6.295 -10.682 7.365 434 HB VAL 59 HB VAL 59 -5.397 -8.488 6.756 435 HG11 VAL 59 HG11 VAL 59 -4.049 -10.187 5.858 436 HG12 VAL 59 HG12 VAL 59 -4.404 -9.193 4.444 437 HG13 VAL 59 HG13 VAL 59 -5.289 -10.696 4.712 438 HG21 VAL 59 HG21 VAL 59 -5.990 -7.666 4.385 439 HG22 VAL 59 HG22 VAL 59 -7.208 -7.430 5.638 440 HG23 VAL 59 HG23 VAL 59 -7.374 -8.753 4.486 441 H GLU 60 H GLU 60 -6.760 -8.959 8.951 442 HA GLU 60 HA GLU 60 -9.662 -8.330 8.973 443 HB2 GLU 60 HB3 GLU 60 -7.584 -8.266 11.174 444 HB3 GLU 60 HB2 GLU 60 -9.282 -7.845 11.386 445 HG2 GLU 60 HG3 GLU 60 -8.274 -10.515 10.394 446 HG3 GLU 60 HG2 GLU 60 -8.831 -10.188 12.027 447 H LEU 61 H LEU 61 -10.205 -6.156 10.027 448 HA LEU 61 HA LEU 61 -8.878 -4.062 8.503 449 HB2 LEU 61 HB3 LEU 61 -10.633 -3.082 10.608 450 HB3 LEU 61 HB2 LEU 61 -10.812 -2.946 8.864 451 HG LEU 61 HG LEU 61 -11.628 -5.301 10.573 452 HD11 LEU 61 HD11 LEU 61 -13.514 -3.902 8.767 453 HD12 LEU 61 HD12 LEU 61 -12.975 -2.984 10.173 454 HD13 LEU 61 HD13 LEU 61 -13.773 -4.542 10.389 455 HD21 LEU 61 HD21 LEU 61 -12.645 -5.530 7.947 456 HD22 LEU 61 HD22 LEU 61 -11.422 -6.553 8.702 457 HD23 LEU 61 HD23 LEU 61 -10.935 -5.140 7.766 458 H SER 62 H SER 62 -7.142 -2.892 9.198 459 HA SER 62 HA SER 62 -6.755 -2.505 12.115 460 HB2 SER 62 HB3 SER 62 -4.247 -2.982 11.655 461 HB3 SER 62 HB2 SER 62 -5.336 -4.357 11.815 462 HG SER 62 HG SER 62 -5.508 -4.321 9.502 463 HA PRO 63 HA PRO 63 -6.306 1.462 9.732 464 HB2 PRO 63 HB3 PRO 63 -6.649 2.475 12.500 465 HB3 PRO 63 HB2 PRO 63 -7.472 2.968 11.011 466 HG2 PRO 63 HG3 PRO 63 -8.673 1.492 12.904 467 HG3 PRO 63 HG2 PRO 63 -9.052 1.340 11.183 468 HD2 PRO 63 HD3 PRO 63 -7.527 -0.512 12.939 469 HD3 PRO 63 HD2 PRO 63 -8.464 -0.862 11.471 470 H GLU 64 H GLU 64 -4.843 0.418 12.766 471 HA GLU 64 HA GLU 64 -2.677 2.315 12.769 472 HB2 GLU 64 HB3 GLU 64 -2.905 -0.417 14.042 473 HB3 GLU 64 HB2 GLU 64 -1.635 0.745 14.393 474 HG2 GLU 64 HG3 GLU 64 -3.361 2.371 15.107 475 HG3 GLU 64 HG2 GLU 64 -4.597 1.150 14.829 476 H HIS 65 H HIS 65 -3.363 -0.425 10.873 477 HA HIS 65 HA HIS 65 -0.711 -1.400 10.381 478 HB2 HIS 65 HB3 HIS 65 -2.852 -2.590 9.810 479 HB3 HIS 65 HB2 HIS 65 -3.072 -1.449 8.484 480 HD1 HIS 65 HD1 HIS 65 -2.265 -2.381 6.329 481 HD2 HIS 65 HD2 HIS 65 0.022 -3.758 9.534 482 HE1 HIS 65 HE1 HIS 65 -0.502 -3.914 5.348 483 HE2 HIS 65 HE2 HIS 65 0.897 -4.751 7.290 484 H PHE 66 H PHE 66 -2.482 1.351 9.132 485 HA PHE 66 HA PHE 66 -0.495 1.752 6.974 486 HB2 PHE 66 HB3 PHE 66 -2.966 3.323 7.764 487 HB3 PHE 66 HB2 PHE 66 -1.927 3.716 6.392 488 HD1 PHE 66 HD1 PHE 66 -1.805 2.244 4.432 489 HD2 PHE 66 HD2 PHE 66 -4.394 1.352 7.740 490 HE1 PHE 66 HE1 PHE 66 -2.996 0.564 3.048 491 HE2 PHE 66 HE2 PHE 66 -5.583 -0.325 6.356 492 HZ PHE 66 HZ PHE 66 -4.885 -0.721 4.013 493 H ARG 67 H ARG 67 -0.331 2.190 10.140 494 HA ARG 67 HA ARG 67 0.245 4.903 10.630 495 HB2 ARG 67 HB3 ARG 67 0.151 3.121 12.377 496 HB3 ARG 67 HB2 ARG 67 1.692 2.503 11.795 497 HG2 ARG 67 HG3 ARG 67 2.329 3.878 13.585 498 HG3 ARG 67 HG2 ARG 67 2.540 4.936 12.196 499 HD2 ARG 67 HD3 ARG 67 0.322 5.937 12.607 500 HD3 ARG 67 HD2 ARG 67 0.094 4.864 13.986 501 HE ARG 67 HE ARG 67 2.512 6.236 14.435 502 HH11 ARG 67 HH11 ARG 67 2.544 8.091 15.727 503 HH12 ARG 67 HH12 ARG 67 1.084 8.995 15.957 504 HH21 ARG 67 HH21 ARG 67 -0.841 6.893 13.981 505 HH22 ARG 67 HH22 ARG 67 -0.832 8.316 14.968 506 H SER 68 H SER 68 2.251 2.397 9.149 507 HA SER 68 HA SER 68 4.014 4.515 8.089 508 HB2 SER 68 HB3 SER 68 6.056 3.538 8.931 509 HB3 SER 68 HB2 SER 68 4.984 3.800 10.304 510 HG SER 68 HG SER 68 5.924 1.468 9.195 511 H ILE 69 H ILE 69 5.156 3.844 6.208 512 HA ILE 69 HA ILE 69 3.908 1.777 4.667 513 HB ILE 69 HB ILE 69 6.552 3.192 4.230 514 HG12 ILE 69 HG13 ILE 69 3.808 3.810 3.129 515 HG13 ILE 69 HG12 ILE 69 4.550 4.675 4.466 516 HG21 ILE 69 HG21 ILE 69 6.739 1.909 2.406 517 HG22 ILE 69 HG22 ILE 69 5.179 2.509 1.844 518 HG23 ILE 69 HG23 ILE 69 5.257 1.062 2.847 519 HD11 ILE 69 HD11 ILE 69 6.545 5.049 2.864 520 HD12 ILE 69 HD12 ILE 69 5.084 5.997 2.582 521 HD13 ILE 69 HD13 ILE 69 5.424 4.582 1.584 522 H ARG 70 H ARG 70 6.966 1.919 6.478 523 HA ARG 70 HA ARG 70 8.043 -0.551 5.567 524 HB2 ARG 70 HB3 ARG 70 8.375 0.846 8.236 525 HB3 ARG 70 HB2 ARG 70 9.371 -0.499 7.679 526 HG2 ARG 70 HG3 ARG 70 9.991 0.856 5.668 527 HG3 ARG 70 HG2 ARG 70 9.102 2.215 6.357 528 HD2 ARG 70 HD3 ARG 70 11.483 0.814 7.607 529 HD3 ARG 70 HD2 ARG 70 11.472 2.434 6.911 530 HE ARG 70 HE ARG 70 10.414 1.684 9.534 531 HH11 ARG 70 HH11 ARG 70 9.642 3.410 10.774 532 HH12 ARG 70 HH12 ARG 70 9.374 4.947 10.023 533 HH21 ARG 70 HH21 ARG 70 10.385 3.884 6.881 534 HH22 ARG 70 HH22 ARG 70 9.794 5.216 7.819 535 H SER 71 H SER 71 5.825 0.145 8.267 536 HA SER 71 HA SER 71 5.820 -2.475 9.384 537 HB2 SER 71 HB3 SER 71 4.781 -0.424 10.421 538 HB3 SER 71 HB2 SER 71 3.464 -0.572 9.260 539 HG SER 71 HG SER 71 3.772 -2.949 10.288 540 H ILE 72 H ILE 72 3.745 -1.026 6.873 541 HA ILE 72 HA ILE 72 2.129 -3.332 6.428 542 HB ILE 72 HB ILE 72 2.911 -1.119 4.508 543 HG12 ILE 72 HG13 ILE 72 0.488 -1.383 6.316 544 HG13 ILE 72 HG12 ILE 72 1.877 -0.352 6.656 545 HG21 ILE 72 HG21 ILE 72 0.278 -2.149 4.120 546 HG22 ILE 72 HG22 ILE 72 1.400 -3.509 4.151 547 HG23 ILE 72 HG23 ILE 72 1.642 -2.192 3.004 548 HD11 ILE 72 HD11 ILE 72 1.033 1.262 5.340 549 HD12 ILE 72 HD12 ILE 72 -0.391 0.261 5.054 550 HD13 ILE 72 HD13 ILE 72 0.997 0.149 3.972 551 H ASP 73 H ASP 73 5.201 -2.261 5.019 552 HA ASP 73 HA ASP 73 5.397 -4.153 2.929 553 HB2 ASP 73 HB3 ASP 73 6.953 -2.207 3.366 554 HB3 ASP 73 HB2 ASP 73 7.702 -3.178 4.631 555 H ALA 74 H ALA 74 6.349 -4.462 6.354 556 HA ALA 74 HA ALA 74 7.490 -7.076 6.052 557 HB1 ALA 74 HB1 ALA 74 6.680 -5.330 8.302 558 HB2 ALA 74 HB2 ALA 74 8.160 -6.262 8.077 559 HB3 ALA 74 HB3 ALA 74 6.696 -7.059 8.652 560 H PHE 75 H PHE 75 4.231 -6.038 7.085 561 HA PHE 75 HA PHE 75 3.248 -8.683 7.533 562 HB2 PHE 75 HB3 PHE 75 1.833 -6.120 6.768 563 HB3 PHE 75 HB2 PHE 75 0.988 -7.610 7.175 564 HD1 PHE 75 HD1 PHE 75 2.192 -4.596 8.492 565 HD2 PHE 75 HD2 PHE 75 1.895 -8.778 9.424 566 HE1 PHE 75 HE1 PHE 75 2.433 -4.075 10.905 567 HE2 PHE 75 HE2 PHE 75 2.133 -8.258 11.836 568 HZ PHE 75 HZ PHE 75 2.401 -5.906 12.577 569 H VAL 76 H VAL 76 3.143 -6.587 4.644 570 HA VAL 76 HA VAL 76 1.724 -8.484 3.024 571 HB VAL 76 HB VAL 76 3.505 -6.131 2.349 572 HG11 VAL 76 HG11 VAL 76 3.644 -7.233 0.343 573 HG12 VAL 76 HG12 VAL 76 2.055 -6.501 0.120 574 HG13 VAL 76 HG13 VAL 76 2.188 -8.179 0.643 575 HG21 VAL 76 HG21 VAL 76 0.503 -6.490 2.115 576 HG22 VAL 76 HG22 VAL 76 1.416 -4.993 1.929 577 HG23 VAL 76 HG23 VAL 76 1.289 -5.755 3.514 578 H VAL 77 H VAL 77 5.225 -7.700 3.286 579 HA VAL 77 HA VAL 77 6.017 -9.685 1.363 580 HB VAL 77 HB VAL 77 7.493 -8.238 3.571 581 HG11 VAL 77 HG11 VAL 77 8.444 -10.302 1.586 582 HG12 VAL 77 HG12 VAL 77 8.698 -10.265 3.330 583 HG13 VAL 77 HG13 VAL 77 9.539 -9.115 2.292 584 HG21 VAL 77 HG21 VAL 77 7.678 -8.046 0.548 585 HG22 VAL 77 HG22 VAL 77 8.452 -6.985 1.725 586 HG23 VAL 77 HG23 VAL 77 6.698 -6.971 1.545 587 H GLY 78 H GLY 78 5.865 -9.693 4.917 588 HA2 GLY 78 HA3 GLY 78 6.946 -12.301 5.290 589 HA3 GLY 78 HA2 GLY 78 5.889 -11.477 6.433 590 H ALA 79 H ALA 79 3.740 -11.249 4.319 591 HA ALA 79 HA ALA 79 2.736 -14.025 4.656 592 HB1 ALA 79 HB1 ALA 79 0.498 -12.995 4.206 593 HB2 ALA 79 HB2 ALA 79 1.293 -11.423 4.121 594 HB3 ALA 79 HB3 ALA 79 1.304 -12.337 5.629 595 H THR 80 H THR 80 2.754 -11.444 2.169 596 HA THR 80 HA THR 80 2.762 -13.623 0.126 597 HB THR 80 HB THR 80 1.113 -11.099 -0.048 598 HG1 THR 80 HG1 THR 80 0.006 -12.323 1.318 599 HG21 THR 80 HG21 THR 80 0.353 -13.247 -1.806 600 HG22 THR 80 HG22 THR 80 2.065 -12.885 -2.022 601 HG23 THR 80 HG23 THR 80 0.861 -11.611 -2.221 602 H THR 81 H THR 81 4.067 -13.257 -1.629 603 HA THR 81 HA THR 81 5.417 -10.599 -1.800 604 HB THR 81 HB THR 81 7.114 -12.036 -1.009 605 HG1 THR 81 HG1 THR 81 7.257 -12.309 -3.826 606 HG21 THR 81 HG21 THR 81 7.411 -14.309 -2.306 607 HG22 THR 81 HG22 THR 81 5.710 -14.073 -2.704 608 HG23 THR 81 HG23 THR 81 6.213 -14.181 -1.017 609 HA PRO 82 HA PRO 82 3.408 -11.563 -5.820 610 HB2 PRO 82 HB3 PRO 82 2.374 -9.102 -6.286 611 HB3 PRO 82 HB2 PRO 82 1.591 -10.278 -5.216 612 HG2 PRO 82 HG3 PRO 82 3.177 -7.870 -4.540 613 HG3 PRO 82 HG2 PRO 82 1.797 -8.591 -3.699 614 HD2 PRO 82 HD3 PRO 82 4.487 -8.891 -2.965 615 HD3 PRO 82 HD2 PRO 82 3.143 -9.907 -2.402 616 HA PRO 83 HA PRO 83 6.503 -10.022 -8.584 617 HB2 PRO 83 HB3 PRO 83 4.995 -9.621 -10.867 618 HB3 PRO 83 HB2 PRO 83 5.578 -11.204 -10.317 619 HG2 PRO 83 HG3 PRO 83 2.890 -9.973 -10.032 620 HG3 PRO 83 HG2 PRO 83 3.337 -11.661 -10.331 621 HD2 PRO 83 HD3 PRO 83 2.546 -10.772 -7.879 622 HD3 PRO 83 HD2 PRO 83 3.703 -12.107 -8.086 623 H VAL 84 H VAL 84 7.280 -8.048 -9.554 624 HA VAL 84 HA VAL 84 5.817 -5.654 -8.635 625 HB VAL 84 HB VAL 84 8.522 -5.947 -9.980 626 HG11 VAL 84 HG11 VAL 84 7.829 -3.732 -10.406 627 HG12 VAL 84 HG12 VAL 84 8.762 -3.592 -8.916 628 HG13 VAL 84 HG13 VAL 84 6.999 -3.599 -8.857 629 HG21 VAL 84 HG21 VAL 84 8.074 -6.908 -7.595 630 HG22 VAL 84 HG22 VAL 84 8.001 -5.216 -7.101 631 HG23 VAL 84 HG23 VAL 84 9.474 -5.860 -7.828 632 H GLU 85 H GLU 85 4.571 -4.456 -9.969 633 HA GLU 85 HA GLU 85 5.104 -4.481 -12.884 634 HB2 GLU 85 HB3 GLU 85 3.379 -6.235 -12.403 635 HB3 GLU 85 HB2 GLU 85 2.355 -4.980 -11.706 636 HG2 GLU 85 HG3 GLU 85 2.434 -3.756 -13.877 637 HG3 GLU 85 HG2 GLU 85 3.360 -5.091 -14.564 638 H ALA 86 H ALA 86 4.239 -2.587 -13.954 639 HA ALA 86 HA ALA 86 4.335 -0.191 -12.445 640 HB1 ALA 86 HB1 ALA 86 3.135 0.806 -14.481 641 HB2 ALA 86 HB2 ALA 86 3.122 -0.829 -15.143 642 HB3 ALA 86 HB3 ALA 86 4.656 -0.026 -14.805 643 H LYS 87 H LYS 87 2.714 1.106 -11.529 644 HA LYS 87 HA LYS 87 0.283 -0.288 -10.714 645 HB2 LYS 87 HB3 LYS 87 1.593 1.358 -9.282 646 HB3 LYS 87 HB2 LYS 87 0.951 2.638 -10.312 647 HG2 LYS 87 HG3 LYS 87 -1.353 1.919 -9.758 648 HG3 LYS 87 HG2 LYS 87 -0.699 0.671 -8.697 649 HD2 LYS 87 HD3 LYS 87 0.502 2.504 -7.433 650 HD3 LYS 87 HD2 LYS 87 -0.414 3.671 -8.388 651 HE2 LYS 87 HE3 LYS 87 -1.261 2.153 -6.071 652 HE3 LYS 87 HE2 LYS 87 -2.084 3.480 -6.891 653 HZ1 LYS 87 HZ1 LYS 87 -2.844 1.858 -8.565 654 HZ2 LYS 87 HZ2 LYS 87 -3.437 1.527 -7.007 655 HZ3 LYS 87 HZ3 LYS 87 -2.157 0.610 -7.645 656 H LEU 88 H LEU 88 -1.741 -0.058 -11.601 657 HA LEU 88 HA LEU 88 -2.083 1.025 -14.204 658 HB2 LEU 88 HB3 LEU 88 -4.214 0.586 -12.088 659 HB3 LEU 88 HB2 LEU 88 -4.487 0.721 -13.825 660 HG LEU 88 HG LEU 88 -2.882 -1.441 -12.430 661 HD11 LEU 88 HD11 LEU 88 -4.710 -2.869 -13.526 662 HD12 LEU 88 HD12 LEU 88 -5.588 -1.359 -13.774 663 HD13 LEU 88 HD13 LEU 88 -5.202 -1.896 -12.139 664 HD21 LEU 88 HD21 LEU 88 -3.072 -2.373 -14.895 665 HD22 LEU 88 HD22 LEU 88 -1.794 -1.230 -14.483 666 HD23 LEU 88 HD23 LEU 88 -3.247 -0.668 -15.309 667 H GLN 89 H GLN 89 -2.583 2.456 -11.007 668 HA GLN 89 HA GLN 89 -2.294 5.129 -12.020 669 HB2 GLN 89 HB3 GLN 89 -4.596 4.613 -12.867 670 HB3 GLN 89 HB2 GLN 89 -5.111 4.358 -11.199 671 HG2 GLN 89 HG3 GLN 89 -4.478 6.665 -10.634 672 HG3 GLN 89 HG2 GLN 89 -3.922 6.927 -12.288 673 HE21 GLN 89 HE21 GLN 89 -5.900 8.644 -11.472 674 HE22 GLN 89 HE22 GLN 89 -7.394 8.225 -12.158 675 H3 7V9 101 1H1 NIA 101 -12.250 4.024 8.525 676 H4 7V9 101 2H1 NIA 101 -10.802 4.329 7.567 677 H5 7V9 101 1HE1 NIA 101 -9.776 2.678 6.335 678 H6 7V9 101 2HE1 NIA 101 -9.771 1.011 6.909 679 H7 7V9 101 3HE1 NIA 101 -9.137 2.300 7.936 680 H8 7V9 101 2HE2 NIA 101 -13.278 1.541 7.454 681 H9 7V9 101 3HE2 NIA 101 -12.024 0.325 7.208 682 H10 7V9 101 1HE2 NIA 101 -12.268 1.596 6.010 683 H11 7V9 101 3H NIA 101 -12.270 1.891 9.671 684 H12 7V9 101 3HO NIA 101 -10.703 3.684 9.718 685 H13 7V9 101 5H NIA 101 -8.760 0.959 9.359 686 H14 7V9 101 1H6 NIA 101 -8.920 -1.753 9.181 687 H15 7V9 101 2H6 NIA 101 -9.754 -1.256 7.711 688 H16 7V9 101 1H7 NIA 101 -6.979 -0.291 8.436 689 H17 7V9 101 2H7 NIA 101 -7.797 -0.142 6.882 690 H18 7V9 101 9H NIA 101 -8.636 -3.045 6.482 691 H19 7V9 101 1H10 NIA 101 -7.680 -3.269 4.317 692 H20 7V9 101 2H10 NIA 101 -6.316 -2.289 4.850 693 H21 7V9 101 1H11 NIA 101 -6.617 -5.202 4.829 694 H22 7V9 101 2H11 NIA 101 -6.078 -4.583 6.391 695 H25 7V9 101 5H1 NIA 101 -2.041 -4.400 3.726 696 H26 7V9 101 7H1 NIA 101 -1.860 -3.917 -0.436 697 H27 7V9 101 8H1 NIA 101 -4.121 -4.918 -0.675 698 H28 7V9 101 9H1 NIA 101 -5.004 -6.248 1.270 Start of MODEL 20 1 H1 MET 1 H1 MET 1 9.848 -5.419 3.132 2 H2 MET 1 H2 MET 1 10.732 -4.370 4.133 3 H3 MET 1 H3 MET 1 11.533 -5.316 2.971 4 HA MET 1 HA MET 1 9.480 -3.349 2.181 5 HB2 MET 1 HB3 MET 1 12.441 -2.885 2.639 6 HB3 MET 1 HB2 MET 1 11.381 -1.770 1.773 7 HG2 MET 1 HG3 MET 1 9.915 -1.700 3.815 8 HG3 MET 1 HG2 MET 1 11.145 -2.632 4.667 9 HE1 MET 1 HE1 MET 1 13.484 -2.146 4.626 10 HE2 MET 1 HE2 MET 1 14.199 -0.551 4.843 11 HE3 MET 1 HE3 MET 1 13.939 -1.177 3.217 12 H GLN 2 H GLN 2 10.639 -6.093 1.368 13 HA GLN 2 HA GLN 2 12.209 -5.785 -0.985 14 HB2 GLN 2 HB3 GLN 2 10.143 -7.901 -0.305 15 HB3 GLN 2 HB2 GLN 2 11.321 -8.027 -1.611 16 HG2 GLN 2 HG3 GLN 2 13.161 -7.846 0.015 17 HG3 GLN 2 HG2 GLN 2 11.991 -7.696 1.328 18 HE21 GLN 2 HE21 GLN 2 13.850 -9.850 1.323 19 HE22 GLN 2 HE22 GLN 2 13.008 -11.298 1.049 20 H HIS 3 H HIS 3 8.709 -5.645 -0.471 21 HA HIS 3 HA HIS 3 8.394 -4.829 -3.336 22 HB2 HIS 3 HB3 HIS 3 7.216 -6.949 -2.587 23 HB3 HIS 3 HB2 HIS 3 6.247 -5.942 -1.512 24 HD1 HIS 3 HD1 HIS 3 7.153 -6.083 -5.221 25 HD2 HIS 3 HD2 HIS 3 4.000 -4.915 -2.752 26 HE1 HIS 3 HE1 HIS 3 5.259 -5.389 -6.756 27 HE2 HIS 3 HE2 HIS 3 3.335 -4.678 -5.264 28 H ALA 4 H ALA 4 8.770 -3.451 -0.458 29 HA ALA 4 HA ALA 4 6.478 -1.816 -0.042 30 HB1 ALA 4 HB1 ALA 4 7.960 -1.701 1.735 31 HB2 ALA 4 HB2 ALA 4 8.358 -0.199 0.901 32 HB3 ALA 4 HB3 ALA 4 9.375 -1.623 0.686 33 H SER 5 H SER 5 9.266 -1.404 -2.202 34 HA SER 5 HA SER 5 8.809 1.306 -2.915 35 HB2 SER 5 HB3 SER 5 9.824 -0.903 -4.725 36 HB3 SER 5 HB2 SER 5 10.084 0.825 -4.940 37 HG SER 5 HG SER 5 11.447 0.841 -3.262 38 H VAL 6 H VAL 6 7.405 -1.686 -4.196 39 HA VAL 6 HA VAL 6 5.896 -0.429 -6.295 40 HB VAL 6 HB VAL 6 5.453 -3.011 -4.789 41 HG11 VAL 6 HG11 VAL 6 4.201 -3.340 -7.180 42 HG12 VAL 6 HG12 VAL 6 3.889 -1.629 -6.891 43 HG13 VAL 6 HG13 VAL 6 3.368 -2.831 -5.711 44 HG21 VAL 6 HG21 VAL 6 6.159 -3.415 -7.498 45 HG22 VAL 6 HG22 VAL 6 7.154 -3.740 -6.078 46 HG23 VAL 6 HG23 VAL 6 7.254 -2.176 -6.885 47 H ILE 7 H ILE 7 5.259 -1.114 -2.900 48 HA ILE 7 HA ILE 7 2.484 -0.456 -2.895 49 HB ILE 7 HB ILE 7 4.532 -0.167 -0.680 50 HG12 ILE 7 HG13 ILE 7 2.623 -2.441 -1.318 51 HG13 ILE 7 HG12 ILE 7 4.344 -2.450 -1.699 52 HG21 ILE 7 HG21 ILE 7 2.508 -0.425 0.786 53 HG22 ILE 7 HG22 ILE 7 1.499 -0.293 -0.656 54 HG23 ILE 7 HG23 ILE 7 2.502 1.068 -0.154 55 HD11 ILE 7 HD11 ILE 7 4.377 -1.749 0.952 56 HD12 ILE 7 HD12 ILE 7 4.577 -3.395 0.353 57 HD13 ILE 7 HD13 ILE 7 2.993 -2.840 0.891 58 H ALA 8 H ALA 8 5.367 1.564 -2.294 59 HA ALA 8 HA ALA 8 3.923 3.948 -1.662 60 HB1 ALA 8 HB1 ALA 8 6.133 4.202 -1.090 61 HB2 ALA 8 HB2 ALA 8 6.183 4.975 -2.675 62 HB3 ALA 8 HB3 ALA 8 6.707 3.301 -2.493 63 H GLN 9 H GLN 9 5.375 2.922 -4.772 64 HA GLN 9 HA GLN 9 4.286 5.192 -6.187 65 HB2 GLN 9 HB3 GLN 9 4.825 3.783 -8.248 66 HB3 GLN 9 HB2 GLN 9 6.184 4.156 -7.188 67 HG2 GLN 9 HG3 GLN 9 6.571 1.964 -6.896 68 HG3 GLN 9 HG2 GLN 9 4.948 1.756 -6.247 69 HE21 GLN 9 HE21 GLN 9 3.195 1.887 -8.204 70 HE22 GLN 9 HE22 GLN 9 3.585 0.912 -9.538 71 H PHE 10 H PHE 10 3.243 1.803 -5.862 72 HA PHE 10 HA PHE 10 0.996 1.985 -7.594 73 HB2 PHE 10 HB3 PHE 10 1.857 -0.152 -6.655 74 HB3 PHE 10 HB2 PHE 10 1.256 0.328 -5.066 75 HD1 PHE 10 HD1 PHE 10 -1.087 0.251 -4.530 76 HD2 PHE 10 HD2 PHE 10 0.266 -0.581 -8.521 77 HE1 PHE 10 HE1 PHE 10 -3.338 -0.610 -5.113 78 HE2 PHE 10 HE2 PHE 10 -1.986 -1.443 -9.104 79 HZ PHE 10 HZ PHE 10 -3.788 -1.456 -7.399 80 H VAL 11 H VAL 11 1.272 2.583 -4.099 81 HA VAL 11 HA VAL 11 -1.499 3.315 -3.771 82 HB VAL 11 HB VAL 11 0.932 3.984 -2.086 83 HG11 VAL 11 HG11 VAL 11 -0.731 4.342 -0.284 84 HG12 VAL 11 HG12 VAL 11 -2.030 4.097 -1.450 85 HG13 VAL 11 HG13 VAL 11 -0.953 5.484 -1.609 86 HG21 VAL 11 HG21 VAL 11 0.561 1.992 -0.939 87 HG22 VAL 11 HG22 VAL 11 0.133 1.513 -2.581 88 HG23 VAL 11 HG23 VAL 11 -1.133 1.911 -1.421 89 H VAL 12 H VAL 12 1.489 5.240 -4.124 90 HA VAL 12 HA VAL 12 0.198 7.794 -3.981 91 HB VAL 12 HB VAL 12 2.812 6.951 -5.227 92 HG11 VAL 12 HG11 VAL 12 1.470 9.620 -4.951 93 HG12 VAL 12 HG12 VAL 12 2.425 8.986 -6.293 94 HG13 VAL 12 HG13 VAL 12 3.226 9.522 -4.816 95 HG21 VAL 12 HG21 VAL 12 2.008 7.112 -2.567 96 HG22 VAL 12 HG22 VAL 12 2.831 8.646 -2.848 97 HG23 VAL 12 HG23 VAL 12 3.674 7.126 -3.143 98 H GLU 13 H GLU 13 0.937 5.680 -6.730 99 HA GLU 13 HA GLU 13 0.345 7.548 -8.777 100 HB2 GLU 13 HB3 GLU 13 0.265 4.555 -8.649 101 HB3 GLU 13 HB2 GLU 13 -0.244 5.407 -10.100 102 HG2 GLU 13 HG3 GLU 13 1.926 6.549 -10.215 103 HG3 GLU 13 HG2 GLU 13 2.444 5.721 -8.753 104 H GLU 14 H GLU 14 -1.798 5.576 -6.805 105 HA GLU 14 HA GLU 14 -4.138 5.923 -8.431 106 HB2 GLU 14 HB3 GLU 14 -3.836 5.417 -5.458 107 HB3 GLU 14 HB2 GLU 14 -5.378 5.375 -6.314 108 HG2 GLU 14 HG3 GLU 14 -4.482 3.613 -7.813 109 HG3 GLU 14 HG2 GLU 14 -2.970 3.630 -6.906 110 H PHE 15 H PHE 15 -2.632 7.935 -5.948 111 HA PHE 15 HA PHE 15 -4.928 9.811 -6.070 112 HB2 PHE 15 HB3 PHE 15 -2.421 9.988 -4.378 113 HB3 PHE 15 HB2 PHE 15 -3.908 10.915 -4.173 114 HD1 PHE 15 HD1 PHE 15 -6.066 9.672 -3.631 115 HD2 PHE 15 HD2 PHE 15 -2.196 7.827 -3.469 116 HE1 PHE 15 HE1 PHE 15 -7.002 7.830 -2.256 117 HE2 PHE 15 HE2 PHE 15 -3.125 5.986 -2.101 118 HZ PHE 15 HZ PHE 15 -5.531 5.985 -1.492 119 H LEU 16 H LEU 16 -1.349 10.165 -6.214 120 HA LEU 16 HA LEU 16 -1.791 12.267 -8.299 121 HB2 LEU 16 HB3 LEU 16 -0.491 12.456 -5.686 122 HB3 LEU 16 HB2 LEU 16 0.543 13.007 -7.004 123 HG LEU 16 HG LEU 16 -1.284 14.473 -7.811 124 HD11 LEU 16 HD11 LEU 16 -3.349 13.739 -7.183 125 HD12 LEU 16 HD12 LEU 16 -3.054 14.722 -5.749 126 HD13 LEU 16 HD13 LEU 16 -2.740 12.987 -5.709 127 HD21 LEU 16 HD21 LEU 16 -0.238 15.982 -6.502 128 HD22 LEU 16 HD22 LEU 16 0.183 14.730 -5.334 129 HD23 LEU 16 HD23 LEU 16 -1.361 15.572 -5.206 130 HA PRO 17 HA PRO 17 1.304 9.257 -9.901 131 HB2 PRO 17 HB3 PRO 17 0.131 8.923 -12.351 132 HB3 PRO 17 HB2 PRO 17 -0.289 7.958 -10.926 133 HG2 PRO 17 HG3 PRO 17 -1.784 10.117 -12.236 134 HG3 PRO 17 HG2 PRO 17 -2.365 8.779 -11.237 135 HD2 PRO 17 HD3 PRO 17 -2.035 11.475 -10.422 136 HD3 PRO 17 HD2 PRO 17 -2.391 10.086 -9.377 137 H ASP 18 H ASP 18 0.150 12.341 -10.899 138 HA ASP 18 HA ASP 18 1.933 12.659 -13.175 139 HB2 ASP 18 HB3 ASP 18 0.385 14.643 -11.501 140 HB3 ASP 18 HB2 ASP 18 1.308 15.080 -12.933 141 H VAL 19 H VAL 19 2.447 12.435 -9.909 142 HA VAL 19 HA VAL 19 4.880 14.173 -10.021 143 HB VAL 19 HB VAL 19 3.399 13.159 -7.573 144 HG11 VAL 19 HG11 VAL 19 5.156 13.927 -6.394 145 HG12 VAL 19 HG12 VAL 19 5.074 15.486 -7.213 146 HG13 VAL 19 HG13 VAL 19 6.013 14.170 -7.916 147 HG21 VAL 19 HG21 VAL 19 2.862 15.682 -7.391 148 HG22 VAL 19 HG22 VAL 19 1.948 14.748 -8.575 149 HG23 VAL 19 HG23 VAL 19 3.290 15.764 -9.101 150 H ALA 20 H ALA 20 6.870 13.172 -9.571 151 HA ALA 20 HA ALA 20 7.070 10.372 -9.991 152 HB1 ALA 20 HB1 ALA 20 9.354 11.202 -8.526 153 HB2 ALA 20 HB2 ALA 20 8.865 12.568 -9.530 154 HB3 ALA 20 HB3 ALA 20 9.210 11.006 -10.273 155 HA PRO 21 HA PRO 21 5.719 9.315 -5.793 156 HB2 PRO 21 HB3 PRO 21 6.078 6.584 -6.012 157 HB3 PRO 21 HB2 PRO 21 4.623 7.457 -6.535 158 HG2 PRO 21 HG3 PRO 21 6.875 6.402 -8.138 159 HG3 PRO 21 HG2 PRO 21 5.160 6.554 -8.549 160 HD2 PRO 21 HD3 PRO 21 7.110 8.246 -9.477 161 HD3 PRO 21 HD2 PRO 21 5.402 8.712 -9.314 162 H ALA 22 H ALA 22 8.743 8.339 -7.255 163 HA ALA 22 HA ALA 22 9.967 7.398 -4.793 164 HB1 ALA 22 HB1 ALA 22 10.780 6.703 -7.033 165 HB2 ALA 22 HB2 ALA 22 12.062 7.455 -6.082 166 HB3 ALA 22 HB3 ALA 22 11.261 8.367 -7.362 167 H ASP 23 H ASP 23 9.213 10.471 -6.045 168 HA ASP 23 HA ASP 23 11.409 11.879 -4.701 169 HB2 ASP 23 HB3 ASP 23 8.937 12.870 -6.147 170 HB3 ASP 23 HB2 ASP 23 10.175 13.926 -5.468 171 H VAL 24 H VAL 24 8.884 10.313 -3.468 172 HA VAL 24 HA VAL 24 8.188 12.456 -1.510 173 HB VAL 24 HB VAL 24 6.320 11.273 -2.767 174 HG11 VAL 24 HG11 VAL 24 6.038 9.023 -2.631 175 HG12 VAL 24 HG12 VAL 24 6.484 8.977 -0.926 176 HG13 VAL 24 HG13 VAL 24 7.737 9.001 -2.164 177 HG21 VAL 24 HG21 VAL 24 5.216 12.090 -0.978 178 HG22 VAL 24 HG22 VAL 24 6.614 11.830 0.065 179 HG23 VAL 24 HG23 VAL 24 5.454 10.528 -0.196 180 H ASP 25 H ASP 25 8.524 12.063 0.709 181 HA ASP 25 HA ASP 25 10.656 10.233 1.352 182 HB2 ASP 25 HB3 ASP 25 8.759 11.806 3.121 183 HB3 ASP 25 HB2 ASP 25 10.148 10.899 3.722 184 H VAL 26 H VAL 26 9.804 8.166 0.658 185 HA VAL 26 HA VAL 26 7.347 7.053 1.586 186 HB VAL 26 HB VAL 26 8.321 4.877 0.986 187 HG11 VAL 26 HG11 VAL 26 8.465 5.316 -1.287 188 HG12 VAL 26 HG12 VAL 26 9.471 6.746 -1.052 189 HG13 VAL 26 HG13 VAL 26 7.739 6.823 -0.728 190 HG21 VAL 26 HG21 VAL 26 10.912 6.451 0.805 191 HG22 VAL 26 HG22 VAL 26 10.707 4.781 0.273 192 HG23 VAL 26 HG23 VAL 26 10.543 5.189 1.981 193 H ASP 27 H ASP 27 9.881 8.080 3.423 194 HA ASP 27 HA ASP 27 9.745 5.891 5.415 195 HB2 ASP 27 HB3 ASP 27 11.332 8.477 5.335 196 HB3 ASP 27 HB2 ASP 27 11.425 7.296 6.643 197 H LEU 28 H LEU 28 7.769 8.298 4.600 198 HA LEU 28 HA LEU 28 7.239 9.339 7.322 199 HB2 LEU 28 HB3 LEU 28 7.177 10.866 5.346 200 HB3 LEU 28 HB2 LEU 28 5.830 9.932 4.703 201 HG LEU 28 HG LEU 28 5.000 10.458 7.282 202 HD11 LEU 28 HD11 LEU 28 6.413 12.913 6.203 203 HD12 LEU 28 HD12 LEU 28 6.911 11.985 7.617 204 HD13 LEU 28 HD13 LEU 28 5.382 12.863 7.633 205 HD21 LEU 28 HD21 LEU 28 4.528 11.894 4.660 206 HD22 LEU 28 HD22 LEU 28 3.610 12.271 6.119 207 HD23 LEU 28 HD23 LEU 28 3.523 10.655 5.415 208 H ASP 29 H ASP 29 5.489 8.668 8.540 209 HA ASP 29 HA ASP 29 4.205 6.201 7.902 210 HB2 ASP 29 HB3 ASP 29 3.380 8.405 9.820 211 HB3 ASP 29 HB2 ASP 29 2.628 6.811 9.760 212 H LEU 30 H LEU 30 2.658 5.875 6.386 213 HA LEU 30 HA LEU 30 1.467 8.063 4.953 214 HB2 LEU 30 HB3 LEU 30 0.287 6.377 3.708 215 HB3 LEU 30 HB2 LEU 30 1.891 5.734 4.054 216 HG LEU 30 HG LEU 30 0.419 4.969 6.278 217 HD11 LEU 30 HD11 LEU 30 -1.255 4.251 3.882 218 HD12 LEU 30 HD12 LEU 30 -1.591 5.724 4.792 219 HD13 LEU 30 HD13 LEU 30 -1.676 4.156 5.590 220 HD21 LEU 30 HD21 LEU 30 0.906 3.403 3.728 221 HD22 LEU 30 HD22 LEU 30 0.630 2.722 5.331 222 HD23 LEU 30 HD23 LEU 30 2.094 3.649 5.009 223 H VAL 31 H VAL 31 0.830 7.038 8.016 224 HA VAL 31 HA VAL 31 -1.988 6.821 8.168 225 HB VAL 31 HB VAL 31 -0.037 8.074 10.130 226 HG11 VAL 31 HG11 VAL 31 -2.984 7.565 10.235 227 HG12 VAL 31 HG12 VAL 31 -2.051 8.888 10.934 228 HG13 VAL 31 HG13 VAL 31 -2.040 7.300 11.700 229 HG21 VAL 31 HG21 VAL 31 -0.966 5.666 11.136 230 HG22 VAL 31 HG22 VAL 31 0.589 5.908 10.337 231 HG23 VAL 31 HG23 VAL 31 -0.798 5.332 9.412 232 H ASP 32 H ASP 32 0.097 9.659 7.903 233 HA ASP 32 HA ASP 32 -1.801 11.682 8.468 234 HB2 ASP 32 HB3 ASP 32 0.420 11.632 6.392 235 HB3 ASP 32 HB2 ASP 32 -0.477 13.084 6.842 236 H ASN 33 H ASN 33 -1.284 9.667 5.647 237 HA ASN 33 HA ASN 33 -3.397 10.989 4.098 238 HB2 ASN 33 HB3 ASN 33 -1.913 8.404 3.575 239 HB3 ASN 33 HB2 ASN 33 -2.937 9.258 2.425 240 HD21 ASN 33 HD21 ASN 33 0.172 8.708 2.763 241 HD22 ASN 33 HD22 ASN 33 0.844 10.217 2.377 242 H GLY 34 H GLY 34 -3.767 9.631 6.786 243 HA2 GLY 34 HA3 GLY 34 -5.070 7.217 6.801 244 HA3 GLY 34 HA2 GLY 34 -5.628 8.578 7.774 245 H VAL 35 H VAL 35 -5.994 9.932 4.939 246 HA VAL 35 HA VAL 35 -8.798 9.694 4.786 247 HB VAL 35 HB VAL 35 -7.193 11.317 3.533 248 HG11 VAL 35 HG11 VAL 35 -6.431 10.656 1.405 249 HG12 VAL 35 HG12 VAL 35 -7.527 9.275 1.347 250 HG13 VAL 35 HG13 VAL 35 -6.121 9.240 2.408 251 HG21 VAL 35 HG21 VAL 35 -9.828 10.214 2.795 252 HG22 VAL 35 HG22 VAL 35 -8.998 11.041 1.477 253 HG23 VAL 35 HG23 VAL 35 -9.327 11.894 2.985 254 H ILE 36 H ILE 36 -6.273 7.637 3.490 255 HA ILE 36 HA ILE 36 -8.016 6.064 1.808 256 HB ILE 36 HB ILE 36 -6.117 4.553 1.619 257 HG12 ILE 36 HG13 ILE 36 -4.884 6.213 3.829 258 HG13 ILE 36 HG12 ILE 36 -5.476 4.562 4.000 259 HG21 ILE 36 HG21 ILE 36 -6.145 6.882 0.518 260 HG22 ILE 36 HG22 ILE 36 -4.602 6.032 0.592 261 HG23 ILE 36 HG23 ILE 36 -4.953 7.324 1.741 262 HD11 ILE 36 HD11 ILE 36 -3.442 3.843 3.365 263 HD12 ILE 36 HD12 ILE 36 -2.937 5.483 2.955 264 HD13 ILE 36 HD13 ILE 36 -3.784 4.497 1.763 265 H ASP 37 H ASP 37 -7.724 6.300 5.122 266 HA ASP 37 HA ASP 37 -7.785 3.713 6.130 267 HB2 ASP 37 HB3 ASP 37 -9.382 6.145 6.963 268 HB3 ASP 37 HB2 ASP 37 -9.335 4.656 7.907 269 H SER 38 H SER 38 -10.472 5.494 4.622 270 HA SER 38 HA SER 38 -11.977 2.910 4.583 271 HB2 SER 38 2HB SER 38 -13.359 5.566 4.511 272 HB3 SER 38 1HB SER 38 -13.981 4.015 5.059 273 H LEU 39 H LEU 39 -11.623 6.012 2.833 274 HA LEU 39 HA LEU 39 -13.005 4.995 0.501 275 HB2 LEU 39 HB3 LEU 39 -11.244 7.412 0.888 276 HB3 LEU 39 HB2 LEU 39 -12.141 7.078 -0.589 277 HG LEU 39 HG LEU 39 -14.147 6.826 1.181 278 HD11 LEU 39 HD11 LEU 39 -12.781 7.298 3.144 279 HD12 LEU 39 HD12 LEU 39 -13.897 8.636 2.885 280 HD13 LEU 39 HD13 LEU 39 -12.204 8.798 2.419 281 HD21 LEU 39 HD21 LEU 39 -12.999 9.254 -0.180 282 HD22 LEU 39 HD22 LEU 39 -14.470 9.387 0.783 283 HD23 LEU 39 HD23 LEU 39 -14.425 8.314 -0.617 284 H GLY 40 H GLY 40 -9.558 5.762 1.049 285 HA2 GLY 40 HA3 GLY 40 -8.748 4.690 -1.497 286 HA3 GLY 40 HA2 GLY 40 -7.664 5.081 -0.170 287 H LEU 41 H LEU 41 -8.691 3.347 1.805 288 HA LEU 41 HA LEU 41 -7.371 0.928 1.074 289 HB2 LEU 41 HB3 LEU 41 -9.105 1.755 3.368 290 HB3 LEU 41 HB2 LEU 41 -8.735 0.045 3.164 291 HG LEU 41 HG LEU 41 -6.632 2.230 3.246 292 HD11 LEU 41 HD11 LEU 41 -6.443 1.965 5.511 293 HD12 LEU 41 HD12 LEU 41 -6.866 0.255 5.441 294 HD13 LEU 41 HD13 LEU 41 -8.131 1.475 5.388 295 HD21 LEU 41 HD21 LEU 41 -5.592 -0.278 3.966 296 HD22 LEU 41 HD22 LEU 41 -5.329 0.569 2.442 297 HD23 LEU 41 HD23 LEU 41 -6.638 -0.604 2.586 298 H LEU 42 H LEU 42 -10.824 1.758 1.165 299 HA LEU 42 HA LEU 42 -11.792 -0.862 0.631 300 HB2 LEU 42 HB3 LEU 42 -13.192 1.143 1.282 301 HB3 LEU 42 HB2 LEU 42 -13.024 1.719 -0.372 302 HG LEU 42 HG LEU 42 -13.895 -1.095 -0.105 303 HD11 LEU 42 HD11 LEU 42 -15.266 -0.356 1.666 304 HD12 LEU 42 HD12 LEU 42 -16.301 -0.169 0.250 305 HD13 LEU 42 HD13 LEU 42 -15.494 1.238 0.944 306 HD21 LEU 42 HD21 LEU 42 -15.432 -0.333 -1.906 307 HD22 LEU 42 HD22 LEU 42 -13.753 0.061 -2.266 308 HD23 LEU 42 HD23 LEU 42 -14.846 1.314 -1.683 309 H LYS 43 H LYS 43 -10.837 1.756 -1.599 310 HA LYS 43 HA LYS 43 -11.441 0.291 -3.993 311 HB2 LYS 43 HB3 LYS 43 -9.504 2.555 -3.485 312 HB3 LYS 43 HB2 LYS 43 -9.953 1.968 -5.082 313 HG2 LYS 43 HG3 LYS 43 -12.344 2.459 -4.544 314 HG3 LYS 43 HG2 LYS 43 -11.818 3.161 -3.013 315 HD2 LYS 43 HD3 LYS 43 -10.384 4.761 -4.287 316 HD3 LYS 43 HD2 LYS 43 -11.047 4.111 -5.787 317 HE2 LYS 43 HE3 LYS 43 -13.354 4.625 -4.509 318 HE3 LYS 43 HE2 LYS 43 -12.340 5.843 -3.736 319 HZ1 LYS 43 HZ1 LYS 43 -13.561 6.309 -5.999 320 HZ2 LYS 43 HZ2 LYS 43 -12.174 5.567 -6.643 321 HZ3 LYS 43 HZ3 LYS 43 -12.026 6.956 -5.674 322 H VAL 44 H VAL 44 -8.489 0.673 -2.056 323 HA VAL 44 HA VAL 44 -6.788 -0.845 -3.809 324 HB VAL 44 HB VAL 44 -6.597 -0.306 -0.831 325 HG11 VAL 44 HG11 VAL 44 -4.564 -1.407 -2.793 326 HG12 VAL 44 HG12 VAL 44 -5.245 -2.252 -1.403 327 HG13 VAL 44 HG13 VAL 44 -4.181 -0.868 -1.159 328 HG21 VAL 44 HG21 VAL 44 -4.643 1.044 -2.420 329 HG22 VAL 44 HG22 VAL 44 -5.943 1.753 -1.463 330 HG23 VAL 44 HG23 VAL 44 -6.222 1.327 -3.153 331 H ILE 45 H ILE 45 -8.755 -1.748 -0.990 332 HA ILE 45 HA ILE 45 -7.887 -4.434 -0.761 333 HB ILE 45 HB ILE 45 -10.252 -2.857 0.084 334 HG12 ILE 45 HG13 ILE 45 -9.721 -4.049 2.232 335 HG13 ILE 45 HG12 ILE 45 -8.419 -4.888 1.395 336 HG21 ILE 45 HG21 ILE 45 -11.496 -4.678 -0.825 337 HG22 ILE 45 HG22 ILE 45 -11.351 -5.010 0.900 338 HG23 ILE 45 HG23 ILE 45 -10.320 -5.861 -0.248 339 HD11 ILE 45 HD11 ILE 45 -8.651 -1.975 2.094 340 HD12 ILE 45 HD12 ILE 45 -7.659 -2.466 0.723 341 HD13 ILE 45 HD13 ILE 45 -7.292 -3.070 2.334 342 H ALA 46 H ALA 46 -10.631 -3.096 -2.632 343 HA ALA 46 HA ALA 46 -11.450 -5.592 -3.751 344 HB1 ALA 46 HB1 ALA 46 -11.815 -3.366 -5.587 345 HB2 ALA 46 HB2 ALA 46 -12.266 -2.915 -3.943 346 HB3 ALA 46 HB3 ALA 46 -13.031 -4.303 -4.717 347 H TRP 47 H TRP 47 -8.940 -3.300 -4.660 348 HA TRP 47 HA TRP 47 -8.406 -4.409 -7.265 349 HB2 TRP 47 HB3 TRP 47 -7.490 -2.283 -6.987 350 HB3 TRP 47 HB2 TRP 47 -6.934 -2.627 -5.351 351 HD1 TRP 47 HD1 TRP 47 -6.111 -3.545 -9.004 352 HE1 TRP 47 HE1 TRP 47 -3.605 -4.137 -9.137 353 HE3 TRP 47 HE3 TRP 47 -4.878 -3.281 -4.058 354 HZ2 TRP 47 HZ2 TRP 47 -1.370 -4.449 -7.377 355 HZ3 TRP 47 HZ3 TRP 47 -2.558 -3.730 -3.313 356 HH2 TRP 47 HH2 TRP 47 -0.805 -4.314 -4.964 357 H LEU 48 H LEU 48 -6.974 -4.935 -4.050 358 HA LEU 48 HA LEU 48 -4.990 -6.803 -4.869 359 HB2 LEU 48 HB3 LEU 48 -5.140 -5.646 -2.637 360 HB3 LEU 48 HB2 LEU 48 -6.462 -6.726 -2.224 361 HG LEU 48 HG LEU 48 -4.743 -8.590 -2.947 362 HD11 LEU 48 HD11 LEU 48 -2.436 -7.908 -2.334 363 HD12 LEU 48 HD12 LEU 48 -3.003 -6.249 -2.138 364 HD13 LEU 48 HD13 LEU 48 -3.040 -7.011 -3.726 365 HD21 LEU 48 HD21 LEU 48 -5.132 -7.089 -0.406 366 HD22 LEU 48 HD22 LEU 48 -3.760 -8.197 -0.464 367 HD23 LEU 48 HD23 LEU 48 -5.394 -8.799 -0.751 368 H GLU 49 H GLU 49 -8.332 -7.283 -3.708 369 HA GLU 49 HA GLU 49 -8.241 -10.151 -3.884 370 HB2 GLU 49 HB3 GLU 49 -9.939 -9.110 -2.520 371 HB3 GLU 49 HB2 GLU 49 -10.577 -8.224 -3.894 372 HG2 GLU 49 HG3 GLU 49 -11.237 -10.318 -4.969 373 HG3 GLU 49 HG2 GLU 49 -10.544 -11.238 -3.644 374 H ASP 50 H ASP 50 -9.065 -7.615 -6.204 375 HA ASP 50 HA ASP 50 -10.275 -9.255 -8.171 376 HB2 ASP 50 HB3 ASP 50 -10.149 -6.743 -8.213 377 HB3 ASP 50 HB2 ASP 50 -8.466 -6.898 -8.705 378 H ARG 51 H ARG 51 -6.845 -8.586 -7.530 379 HA ARG 51 HA ARG 51 -6.031 -10.266 -9.800 380 HB2 ARG 51 HB3 ARG 51 -4.437 -8.859 -7.645 381 HB3 ARG 51 HB2 ARG 51 -3.732 -9.738 -8.997 382 HG2 ARG 51 HG3 ARG 51 -5.026 -8.237 -10.553 383 HG3 ARG 51 HG2 ARG 51 -5.499 -7.285 -9.144 384 HD2 ARG 51 HD3 ARG 51 -2.687 -7.774 -10.155 385 HD3 ARG 51 HD2 ARG 51 -3.549 -6.236 -10.113 386 HE ARG 51 HE ARG 51 -3.557 -6.830 -7.493 387 HH11 ARG 51 HH11 ARG 51 -1.868 -6.605 -6.017 388 HH12 ARG 51 HH12 ARG 51 -0.229 -6.677 -6.574 389 HH21 ARG 51 HH21 ARG 51 -1.093 -7.164 -9.893 390 HH22 ARG 51 HH22 ARG 51 0.207 -6.995 -8.764 391 H PHE 52 H PHE 52 -5.514 -10.386 -6.244 392 HA PHE 52 HA PHE 52 -4.509 -13.115 -6.423 393 HB2 PHE 52 HB3 PHE 52 -5.204 -11.344 -4.070 394 HB3 PHE 52 HB2 PHE 52 -4.483 -12.944 -3.922 395 HD1 PHE 52 HD1 PHE 52 -3.921 -9.459 -4.895 396 HD2 PHE 52 HD2 PHE 52 -2.204 -13.394 -4.762 397 HE1 PHE 52 HE1 PHE 52 -1.675 -8.492 -5.299 398 HE2 PHE 52 HE2 PHE 52 0.043 -12.426 -5.168 399 HZ PHE 52 HZ PHE 52 0.308 -9.975 -5.436 400 H GLY 53 H GLY 53 -7.646 -11.661 -5.816 401 HA2 GLY 53 HA3 GLY 53 -9.737 -12.781 -5.711 402 HA3 GLY 53 HA2 GLY 53 -8.877 -14.306 -5.914 403 H ILE 54 H ILE 54 -8.299 -11.864 -3.398 404 HA ILE 54 HA ILE 54 -8.857 -13.979 -1.371 405 HB ILE 54 HB ILE 54 -7.420 -11.324 -1.056 406 HG12 ILE 54 HG13 ILE 54 -6.217 -14.101 -1.188 407 HG13 ILE 54 HG12 ILE 54 -6.335 -13.043 -2.595 408 HG21 ILE 54 HG21 ILE 54 -7.590 -11.767 1.145 409 HG22 ILE 54 HG22 ILE 54 -6.651 -13.235 0.883 410 HG23 ILE 54 HG23 ILE 54 -8.412 -13.291 0.810 411 HD11 ILE 54 HD11 ILE 54 -4.126 -12.895 -1.390 412 HD12 ILE 54 HD12 ILE 54 -4.992 -12.242 0.000 413 HD13 ILE 54 HD13 ILE 54 -4.976 -11.356 -1.525 414 H ALA 55 H ALA 55 -10.474 -13.659 0.162 415 HA ALA 55 HA ALA 55 -12.578 -11.828 -0.406 416 HB1 ALA 55 HB1 ALA 55 -12.308 -12.696 2.412 417 HB2 ALA 55 HB2 ALA 55 -12.328 -14.001 1.224 418 HB3 ALA 55 HB3 ALA 55 -13.674 -12.864 1.309 419 H ALA 56 H ALA 56 -13.040 -9.786 0.405 420 HA ALA 56 HA ALA 56 -10.885 -8.119 1.217 421 HB1 ALA 56 HB1 ALA 56 -13.887 -7.785 1.402 422 HB2 ALA 56 HB2 ALA 56 -12.790 -7.078 0.216 423 HB3 ALA 56 HB3 ALA 56 -12.763 -6.517 1.887 424 H ASP 57 H ASP 57 -13.271 -9.939 3.069 425 HA ASP 57 HA ASP 57 -12.206 -8.841 5.610 426 HB2 ASP 57 HB3 ASP 57 -14.524 -10.688 5.014 427 HB3 ASP 57 HB2 ASP 57 -14.053 -10.190 6.637 428 H ASP 58 H ASP 58 -11.038 -10.988 3.596 429 HA ASP 58 HA ASP 58 -10.857 -13.487 4.851 430 HB2 ASP 58 HB3 ASP 58 -9.897 -12.853 2.606 431 HB3 ASP 58 HB2 ASP 58 -8.559 -12.101 3.471 432 H VAL 59 H VAL 59 -9.130 -10.500 5.603 433 HA VAL 59 HA VAL 59 -8.019 -11.871 8.023 434 HB VAL 59 HB VAL 59 -6.025 -10.464 7.839 435 HG11 VAL 59 HG11 VAL 59 -6.298 -11.487 5.050 436 HG12 VAL 59 HG12 VAL 59 -6.521 -12.648 6.359 437 HG13 VAL 59 HG13 VAL 59 -5.008 -11.752 6.224 438 HG21 VAL 59 HG21 VAL 59 -6.134 -9.391 5.269 439 HG22 VAL 59 HG22 VAL 59 -6.301 -8.485 6.773 440 HG23 VAL 59 HG23 VAL 59 -7.737 -9.062 5.926 441 H GLU 60 H GLU 60 -7.709 -10.418 9.877 442 HA GLU 60 HA GLU 60 -9.953 -8.650 10.264 443 HB2 GLU 60 HB3 GLU 60 -8.813 -9.925 12.098 444 HB3 GLU 60 HB2 GLU 60 -7.428 -8.853 11.928 445 HG2 GLU 60 HG3 GLU 60 -8.917 -6.917 12.383 446 HG3 GLU 60 HG2 GLU 60 -10.243 -8.040 12.658 447 H LEU 61 H LEU 61 -10.004 -6.383 10.279 448 HA LEU 61 HA LEU 61 -7.802 -5.078 8.798 449 HB2 LEU 61 HB3 LEU 61 -10.353 -3.762 9.739 450 HB3 LEU 61 HB2 LEU 61 -9.335 -3.319 8.373 451 HG LEU 61 HG LEU 61 -11.072 -5.777 8.615 452 HD11 LEU 61 HD11 LEU 61 -12.205 -4.806 6.652 453 HD12 LEU 61 HD12 LEU 61 -11.107 -3.428 6.701 454 HD13 LEU 61 HD13 LEU 61 -12.247 -3.694 8.020 455 HD21 LEU 61 HD21 LEU 61 -9.028 -4.984 6.532 456 HD22 LEU 61 HD22 LEU 61 -10.275 -6.193 6.242 457 HD23 LEU 61 HD23 LEU 61 -9.059 -6.462 7.491 458 H SER 62 H SER 62 -6.476 -3.486 9.727 459 HA SER 62 HA SER 62 -7.153 -2.435 12.381 460 HB2 SER 62 HB3 SER 62 -5.528 -4.722 12.177 461 HB3 SER 62 HB2 SER 62 -4.424 -3.389 12.502 462 HG SER 62 HG SER 62 -6.802 -3.477 13.950 463 HA PRO 63 HA PRO 63 -5.108 0.953 10.251 464 HB2 PRO 63 HB3 PRO 63 -4.805 2.627 12.444 465 HB3 PRO 63 HB2 PRO 63 -6.260 2.519 11.439 466 HG2 PRO 63 HG3 PRO 63 -5.708 1.365 14.103 467 HG3 PRO 63 HG2 PRO 63 -7.231 1.934 13.406 468 HD2 PRO 63 HD3 PRO 63 -6.579 -0.715 13.670 469 HD3 PRO 63 HD2 PRO 63 -7.699 -0.100 12.434 470 H GLU 64 H GLU 64 -3.801 -0.499 13.166 471 HA GLU 64 HA GLU 64 -1.248 0.774 13.167 472 HB2 GLU 64 HB3 GLU 64 -2.055 -1.981 14.105 473 HB3 GLU 64 HB2 GLU 64 -0.514 -1.218 14.471 474 HG2 GLU 64 HG3 GLU 64 -1.729 0.657 15.538 475 HG3 GLU 64 HG2 GLU 64 -3.246 -0.180 15.233 476 H HIS 65 H HIS 65 -2.565 -1.840 11.248 477 HA HIS 65 HA HIS 65 -0.053 -2.900 10.323 478 HB2 HIS 65 HB3 HIS 65 -2.145 -4.162 10.094 479 HB3 HIS 65 HB2 HIS 65 -2.788 -2.927 9.013 480 HD1 HIS 65 HD1 HIS 65 -2.827 -4.116 6.791 481 HD2 HIS 65 HD2 HIS 65 0.834 -4.555 8.742 482 HE1 HIS 65 HE1 HIS 65 -1.273 -5.263 5.150 483 HE2 HIS 65 HE2 HIS 65 0.958 -5.530 6.327 484 H PHE 66 H PHE 66 -1.974 -0.130 9.388 485 HA PHE 66 HA PHE 66 -0.249 0.272 6.996 486 HB2 PHE 66 HB3 PHE 66 -2.862 1.534 7.861 487 HB3 PHE 66 HB2 PHE 66 -1.935 2.076 6.461 488 HD1 PHE 66 HD1 PHE 66 -2.082 0.944 4.393 489 HD2 PHE 66 HD2 PHE 66 -3.546 -0.935 7.968 490 HE1 PHE 66 HE1 PHE 66 -3.027 -0.903 3.035 491 HE2 PHE 66 HE2 PHE 66 -4.496 -2.778 6.609 492 HZ PHE 66 HZ PHE 66 -4.234 -2.762 4.145 493 H ARG 67 H ARG 67 0.202 0.861 10.063 494 HA ARG 67 HA ARG 67 0.435 3.632 10.464 495 HB2 ARG 67 HB3 ARG 67 0.868 1.925 12.218 496 HB3 ARG 67 HB2 ARG 67 2.362 1.481 11.401 497 HG2 ARG 67 HG3 ARG 67 3.071 2.967 13.085 498 HG3 ARG 67 HG2 ARG 67 2.992 3.984 11.653 499 HD2 ARG 67 HD3 ARG 67 0.786 4.815 12.326 500 HD3 ARG 67 HD2 ARG 67 0.792 3.744 13.724 501 HE ARG 67 HE ARG 67 3.107 5.242 14.014 502 HH11 ARG 67 HH11 ARG 67 3.150 7.195 15.149 503 HH12 ARG 67 HH12 ARG 67 1.694 8.119 15.314 504 HH21 ARG 67 HH21 ARG 67 -0.249 5.870 13.528 505 HH22 ARG 67 HH22 ARG 67 -0.231 7.368 14.396 506 H SER 68 H SER 68 2.570 1.415 8.734 507 HA SER 68 HA SER 68 3.873 3.764 7.472 508 HB2 SER 68 HB3 SER 68 5.322 3.064 9.380 509 HB3 SER 68 HB2 SER 68 5.430 1.454 8.675 510 HG SER 68 HG SER 68 5.969 3.328 6.824 511 H ILE 69 H ILE 69 4.614 3.321 5.352 512 HA ILE 69 HA ILE 69 3.257 1.305 3.894 513 HB ILE 69 HB ILE 69 5.812 2.771 3.171 514 HG12 ILE 69 HG13 ILE 69 2.926 3.449 2.572 515 HG13 ILE 69 HG12 ILE 69 3.915 4.254 3.781 516 HG21 ILE 69 HG21 ILE 69 5.724 1.610 1.261 517 HG22 ILE 69 HG22 ILE 69 4.106 2.248 0.969 518 HG23 ILE 69 HG23 ILE 69 4.311 0.735 1.850 519 HD11 ILE 69 HD11 ILE 69 4.029 5.616 1.815 520 HD12 ILE 69 HD12 ILE 69 4.339 4.215 0.790 521 HD13 ILE 69 HD13 ILE 69 5.571 4.767 1.925 522 H ARG 70 H ARG 70 6.525 1.378 5.276 523 HA ARG 70 HA ARG 70 7.495 -1.013 4.083 524 HB2 ARG 70 HB3 ARG 70 9.166 -1.015 5.855 525 HB3 ARG 70 HB2 ARG 70 8.902 0.642 5.307 526 HG2 ARG 70 HG3 ARG 70 7.206 0.858 7.184 527 HG3 ARG 70 HG2 ARG 70 7.815 -0.676 7.802 528 HD2 ARG 70 HD3 ARG 70 10.116 0.315 7.849 529 HD3 ARG 70 HD2 ARG 70 9.416 1.865 7.383 530 HE ARG 70 HE ARG 70 8.684 2.124 9.607 531 HH11 ARG 70 HH11 ARG 70 8.374 1.410 11.729 532 HH12 ARG 70 HH12 ARG 70 8.579 -0.269 12.103 533 HH21 ARG 70 HH21 ARG 70 9.389 -1.166 8.852 534 HH22 ARG 70 HH22 ARG 70 9.154 -1.727 10.474 535 H SER 71 H SER 71 5.664 -0.512 7.098 536 HA SER 71 HA SER 71 5.846 -3.186 8.051 537 HB2 SER 71 HB3 SER 71 3.969 -2.622 9.464 538 HB3 SER 71 HB2 SER 71 4.997 -1.200 9.343 539 HG SER 71 HG SER 71 3.486 -0.202 8.243 540 H ILE 72 H ILE 72 3.605 -1.674 5.747 541 HA ILE 72 HA ILE 72 1.794 -3.877 5.573 542 HB ILE 72 HB ILE 72 2.515 -1.796 3.489 543 HG12 ILE 72 HG13 ILE 72 0.274 -1.866 5.535 544 HG13 ILE 72 HG12 ILE 72 1.729 -0.878 5.673 545 HG21 ILE 72 HG21 ILE 72 0.825 -4.108 3.409 546 HG22 ILE 72 HG22 ILE 72 1.085 -2.896 2.155 547 HG23 ILE 72 HG23 ILE 72 -0.186 -2.665 3.355 548 HD11 ILE 72 HD11 ILE 72 1.084 0.043 3.343 549 HD12 ILE 72 HD12 ILE 72 0.140 0.588 4.727 550 HD13 ILE 72 HD13 ILE 72 -0.504 -0.656 3.658 551 H ASP 73 H ASP 73 4.755 -3.062 3.777 552 HA ASP 73 HA ASP 73 4.602 -5.132 1.839 553 HB2 ASP 73 HB3 ASP 73 6.268 -3.227 1.883 554 HB3 ASP 73 HB2 ASP 73 7.148 -4.116 3.127 555 H ALA 74 H ALA 74 5.824 -5.170 5.174 556 HA ALA 74 HA ALA 74 6.967 -7.787 5.078 557 HB1 ALA 74 HB1 ALA 74 6.294 -5.821 7.116 558 HB2 ALA 74 HB2 ALA 74 7.585 -7.022 7.110 559 HB3 ALA 74 HB3 ALA 74 5.973 -7.464 7.672 560 H PHE 75 H PHE 75 3.684 -6.674 5.863 561 HA PHE 75 HA PHE 75 2.645 -9.242 6.579 562 HB2 PHE 75 HB3 PHE 75 1.502 -7.059 7.022 563 HB3 PHE 75 HB2 PHE 75 1.150 -6.948 5.299 564 HD1 PHE 75 HD1 PHE 75 -0.549 -8.312 4.265 565 HD2 PHE 75 HD2 PHE 75 0.501 -8.872 8.393 566 HE1 PHE 75 HE1 PHE 75 -2.547 -9.748 4.579 567 HE2 PHE 75 HE2 PHE 75 -1.496 -10.309 8.706 568 HZ PHE 75 HZ PHE 75 -3.020 -10.746 6.799 569 H VAL 76 H VAL 76 2.633 -7.483 3.469 570 HA VAL 76 HA VAL 76 1.303 -9.529 1.987 571 HB VAL 76 HB VAL 76 3.220 -7.336 1.158 572 HG11 VAL 76 HG11 VAL 76 2.241 -7.788 -1.139 573 HG12 VAL 76 HG12 VAL 76 1.614 -9.300 -0.484 574 HG13 VAL 76 HG13 VAL 76 3.354 -9.016 -0.541 575 HG21 VAL 76 HG21 VAL 76 0.774 -6.997 2.137 576 HG22 VAL 76 HG22 VAL 76 0.298 -7.460 0.503 577 HG23 VAL 76 HG23 VAL 76 1.326 -6.050 0.754 578 H VAL 77 H VAL 77 4.764 -8.863 2.558 579 HA VAL 77 HA VAL 77 5.819 -10.876 0.869 580 HB VAL 77 HB VAL 77 6.827 -9.662 3.450 581 HG11 VAL 77 HG11 VAL 77 7.980 -11.784 1.672 582 HG12 VAL 77 HG12 VAL 77 8.003 -11.672 3.430 583 HG13 VAL 77 HG13 VAL 77 9.058 -10.639 2.467 584 HG21 VAL 77 HG21 VAL 77 6.578 -8.343 1.228 585 HG22 VAL 77 HG22 VAL 77 7.919 -9.335 0.653 586 HG23 VAL 77 HG23 VAL 77 8.139 -8.278 2.048 587 H GLY 78 H GLY 78 4.726 -11.011 4.243 588 HA2 GLY 78 HA3 GLY 78 5.545 -13.671 4.805 589 HA3 GLY 78 HA2 GLY 78 4.212 -12.842 5.606 590 H ALA 79 H ALA 79 2.688 -12.458 3.093 591 HA ALA 79 HA ALA 79 1.684 -15.251 2.882 592 HB1 ALA 79 HB1 ALA 79 0.078 -13.101 1.675 593 HB2 ALA 79 HB2 ALA 79 0.337 -12.925 3.410 594 HB3 ALA 79 HB3 ALA 79 -0.411 -14.390 2.774 595 H THR 80 H THR 80 2.275 -12.421 0.779 596 HA THR 80 HA THR 80 2.813 -14.352 -1.442 597 HB THR 80 HB THR 80 1.638 -12.982 -2.993 598 HG1 THR 80 HG1 THR 80 0.719 -11.024 -1.426 599 HG21 THR 80 HG21 THR 80 0.320 -14.247 -1.048 600 HG22 THR 80 HG22 THR 80 -0.527 -13.284 -2.259 601 HG23 THR 80 HG23 THR 80 -0.193 -12.604 -0.667 602 H THR 81 H THR 81 4.343 -13.538 -3.046 603 HA THR 81 HA THR 81 5.932 -11.189 -2.145 604 HB THR 81 HB THR 81 7.258 -12.938 -1.309 605 HG1 THR 81 HG1 THR 81 8.646 -11.800 -2.509 606 HG21 THR 81 HG21 THR 81 7.738 -14.976 -2.790 607 HG22 THR 81 HG22 THR 81 6.398 -14.421 -3.795 608 HG23 THR 81 HG23 THR 81 6.115 -14.859 -2.110 609 HA PRO 82 HA PRO 82 5.148 -10.977 -6.668 610 HB2 PRO 82 HB3 PRO 82 4.475 -8.348 -6.766 611 HB3 PRO 82 HB2 PRO 82 3.320 -9.615 -6.311 612 HG2 PRO 82 HG3 PRO 82 4.747 -7.657 -4.610 613 HG3 PRO 82 HG2 PRO 82 3.140 -8.374 -4.411 614 HD2 PRO 82 HD3 PRO 82 5.466 -9.168 -3.050 615 HD3 PRO 82 HD2 PRO 82 3.957 -10.100 -3.155 616 HA PRO 83 HA PRO 83 9.072 -9.374 -7.915 617 HB2 PRO 83 HB3 PRO 83 8.390 -8.123 -10.301 618 HB3 PRO 83 HB2 PRO 83 8.683 -9.861 -10.113 619 HG2 PRO 83 HG3 PRO 83 6.117 -8.378 -10.258 620 HG3 PRO 83 HG2 PRO 83 6.536 -9.983 -10.881 621 HD2 PRO 83 HD3 PRO 83 5.060 -9.638 -8.618 622 HD3 PRO 83 HD2 PRO 83 6.150 -11.025 -8.845 623 H VAL 84 H VAL 84 10.309 -7.441 -7.866 624 HA VAL 84 HA VAL 84 8.762 -4.905 -7.519 625 HB VAL 84 HB VAL 84 9.521 -5.815 -5.317 626 HG11 VAL 84 HG11 VAL 84 11.744 -6.623 -6.671 627 HG12 VAL 84 HG12 VAL 84 11.682 -6.437 -4.919 628 HG13 VAL 84 HG13 VAL 84 12.342 -5.144 -5.920 629 HG21 VAL 84 HG21 VAL 84 10.243 -3.728 -4.516 630 HG22 VAL 84 HG22 VAL 84 9.433 -3.295 -6.021 631 HG23 VAL 84 HG23 VAL 84 11.193 -3.394 -5.964 632 H GLU 85 H GLU 85 9.690 -3.108 -8.471 633 HA GLU 85 HA GLU 85 12.172 -3.598 -10.050 634 HB2 GLU 85 HB3 GLU 85 9.945 -1.589 -10.512 635 HB3 GLU 85 HB2 GLU 85 11.364 -1.801 -11.540 636 HG2 GLU 85 HG3 GLU 85 10.688 -4.160 -11.946 637 HG3 GLU 85 HG2 GLU 85 9.235 -3.887 -10.984 638 H ALA 86 H ALA 86 13.570 -1.608 -10.316 639 HA ALA 86 HA ALA 86 14.418 -0.564 -7.857 640 HB1 ALA 86 HB1 ALA 86 16.022 0.225 -9.225 641 HB2 ALA 86 HB2 ALA 86 14.895 1.447 -9.815 642 HB3 ALA 86 HB3 ALA 86 15.012 -0.113 -10.632 643 H LYS 87 H LYS 87 13.873 1.259 -6.649 644 HA LYS 87 HA LYS 87 11.208 2.226 -6.760 645 HB2 LYS 87 HB3 LYS 87 12.750 2.335 -4.768 646 HB3 LYS 87 HB2 LYS 87 13.581 3.676 -5.556 647 HG2 LYS 87 HG3 LYS 87 11.448 4.934 -5.644 648 HG3 LYS 87 HG2 LYS 87 10.642 3.604 -4.812 649 HD2 LYS 87 HD3 LYS 87 12.324 3.886 -2.939 650 HD3 LYS 87 HD2 LYS 87 12.861 5.363 -3.739 651 HE2 LYS 87 HE3 LYS 87 10.013 5.442 -3.605 652 HE3 LYS 87 HE2 LYS 87 10.612 5.009 -2.004 653 HZ1 LYS 87 HZ1 LYS 87 10.434 7.471 -2.587 654 HZ2 LYS 87 HZ2 LYS 87 11.819 7.222 -3.541 655 HZ3 LYS 87 HZ3 LYS 87 11.873 6.935 -1.867 656 H LEU 88 H LEU 88 14.201 3.514 -8.153 657 HA LEU 88 HA LEU 88 12.652 5.765 -9.333 658 HB2 LEU 88 HB3 LEU 88 14.811 6.261 -8.164 659 HB3 LEU 88 HB2 LEU 88 15.643 5.273 -9.363 660 HG LEU 88 HG LEU 88 14.666 6.756 -11.154 661 HD11 LEU 88 HD11 LEU 88 13.617 8.117 -8.695 662 HD12 LEU 88 HD12 LEU 88 12.827 7.852 -10.248 663 HD13 LEU 88 HD13 LEU 88 14.060 9.102 -10.088 664 HD21 LEU 88 HD21 LEU 88 16.585 7.692 -9.047 665 HD22 LEU 88 HD22 LEU 88 16.125 8.808 -10.333 666 HD23 LEU 88 HD23 LEU 88 16.894 7.271 -10.731 667 H GLN 89 H GLN 89 12.118 5.726 -11.474 668 HA GLN 89 HA GLN 89 12.940 3.384 -13.068 669 HB2 GLN 89 HB3 GLN 89 10.570 4.207 -13.048 670 HB3 GLN 89 HB2 GLN 89 11.120 5.683 -13.841 671 HG2 GLN 89 HG3 GLN 89 10.355 4.241 -15.590 672 HG3 GLN 89 HG2 GLN 89 12.118 4.187 -15.649 673 HE21 GLN 89 HE21 GLN 89 12.947 2.102 -15.769 674 HE22 GLN 89 HE22 GLN 89 12.179 0.709 -15.175 675 H3 7V9 101 1H1 NIA 101 -10.964 1.657 7.594 676 H4 7V9 101 2H1 NIA 101 -12.326 1.780 8.703 677 H5 7V9 101 1HE1 NIA 101 -11.805 2.756 11.114 678 H6 7V9 101 2HE1 NIA 101 -10.883 4.039 10.328 679 H7 7V9 101 3HE1 NIA 101 -10.112 3.012 11.537 680 H8 7V9 101 2HE2 NIA 101 -8.921 2.438 8.127 681 H9 7V9 101 3HE2 NIA 101 -8.315 1.589 9.549 682 H10 7V9 101 1HE2 NIA 101 -8.665 3.315 9.634 683 H11 7V9 101 3H NIA 101 -11.493 0.409 10.473 684 H12 7V9 101 3HO NIA 101 -9.074 1.312 11.340 685 H13 7V9 101 5H NIA 101 -8.321 -0.988 9.849 686 H14 7V9 101 1H6 NIA 101 -8.590 -0.921 6.953 687 H15 7V9 101 2H6 NIA 101 -7.817 0.527 7.589 688 H16 7V9 101 1H7 NIA 101 -6.311 -1.182 8.891 689 H17 7V9 101 2H7 NIA 101 -5.966 -0.839 7.201 690 H18 7V9 101 9H NIA 101 -8.694 -2.978 6.766 691 H19 7V9 101 1H10 NIA 101 -7.989 -3.022 4.502 692 H20 7V9 101 2H10 NIA 101 -6.330 -2.765 5.042 693 H21 7V9 101 1H11 NIA 101 -7.801 -5.296 4.593 694 H22 7V9 101 2H11 NIA 101 -6.807 -5.253 6.050 695 H25 7V9 101 5H1 NIA 101 -3.981 -6.908 2.941 696 H26 7V9 101 7H1 NIA 101 -1.999 -5.223 -0.347 697 H27 7V9 101 8H1 NIA 101 -4.131 -4.230 -1.150 698 H28 7V9 101 9H1 NIA 101 -6.011 -4.043 0.510
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