NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26183 | 2kfv | 16189 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 20 H MET 20 -1.746 -0.497 16.330 2 HA MET 20 HA MET 20 -1.955 -0.102 13.416 3 HB2 MET 20 HB2 MET 20 0.182 0.692 14.552 4 HB3 MET 20 HB1 MET 20 0.481 -0.975 15.027 5 HG2 MET 20 HG2 MET 20 1.769 -0.318 13.027 6 HG3 MET 20 HG1 MET 20 0.651 -1.638 12.681 7 HE1 MET 20 HE1 MET 20 -0.375 2.197 13.066 8 HE2 MET 20 HE2 MET 20 -0.203 2.744 11.398 9 HE3 MET 20 HE3 MET 20 1.224 2.282 12.324 10 H ALA 21 HN ALA 21 -2.354 -2.247 16.072 11 HA ALA 21 HA ALA 21 -1.948 -4.751 14.766 12 HB1 ALA 21 HB1 ALA 21 -2.003 -4.573 17.218 13 HB2 ALA 21 HB2 ALA 21 -3.235 -5.706 16.661 14 HB3 ALA 21 HB3 ALA 21 -3.695 -4.077 17.172 15 H ALA 22 HN ALA 22 -3.013 -5.183 12.931 16 HA ALA 22 HA ALA 22 -4.547 -5.474 11.319 17 HB1 ALA 22 HB1 ALA 22 -5.668 -6.904 12.988 18 HB2 ALA 22 HB2 ALA 22 -6.845 -6.092 11.955 19 HB3 ALA 22 HB3 ALA 22 -6.560 -5.509 13.597 20 H ALA 23 HN ALA 23 -3.686 -3.070 11.227 21 HA ALA 23 HA ALA 23 -5.835 -1.068 11.257 22 HB1 ALA 23 HB1 ALA 23 -3.617 -0.412 12.110 23 HB2 ALA 23 HB2 ALA 23 -4.038 0.532 10.681 24 HB3 ALA 23 HB3 ALA 23 -2.883 -0.799 10.550 25 H VAL 24 HN VAL 24 -7.113 -0.903 9.496 26 HA VAL 24 HA VAL 24 -6.688 -2.279 7.062 27 HB VAL 24 HB VAL 24 -8.733 -1.058 6.220 28 HG11 VAL 24 HG11 VAL 24 -8.968 -3.161 7.492 29 HG12 VAL 24 HG12 VAL 24 -10.318 -2.073 7.813 30 HG13 VAL 24 HG13 VAL 24 -9.028 -2.249 9.003 31 HG21 VAL 24 HG21 VAL 24 -9.985 0.440 7.755 32 HG22 VAL 24 HG22 VAL 24 -8.408 1.120 7.353 33 HG23 VAL 24 HG23 VAL 24 -8.665 0.356 8.924 34 HA PRO 25 HA PRO 25 -4.185 0.610 4.836 35 HB2 PRO 25 HB2 PRO 25 -5.093 -0.337 2.228 36 HB3 PRO 25 HB1 PRO 25 -3.581 -0.682 3.066 37 HG2 PRO 25 HG2 PRO 25 -5.561 -2.554 2.653 38 HG3 PRO 25 HG1 PRO 25 -4.376 -2.631 3.965 39 HD2 PRO 25 HD2 PRO 25 -7.234 -1.709 4.048 40 HD3 PRO 25 HD1 PRO 25 -6.326 -2.683 5.229 41 H GLN 26 HN GLN 26 -5.186 2.519 5.315 42 HA GLN 26 HA GLN 26 -7.087 3.777 3.533 43 HB2 GLN 26 HB2 GLN 26 -5.157 4.979 5.586 44 HB3 GLN 26 HB1 GLN 26 -6.403 5.881 4.720 45 HG2 GLN 26 HG2 GLN 26 -8.143 4.504 5.825 46 HG3 GLN 26 HG1 GLN 26 -6.887 3.621 6.696 47 HE21 GLN 26 HE21 GLN 26 -5.241 5.990 7.239 48 HE22 GLN 26 HE22 GLN 26 -6.090 6.902 8.431 49 H ARG 27 HN ARG 27 -6.500 4.310 1.504 50 HA ARG 27 HA ARG 27 -3.981 3.930 0.440 51 HB2 ARG 27 HB2 ARG 27 -4.680 5.062 -1.599 52 HB3 ARG 27 HB1 ARG 27 -5.901 3.937 -1.027 53 HG2 ARG 27 HG2 ARG 27 -6.113 6.903 -0.436 54 HG3 ARG 27 HG1 ARG 27 -6.630 6.238 -1.983 55 HD2 ARG 27 HD2 ARG 27 -8.181 4.725 -0.801 56 HD3 ARG 27 HD1 ARG 27 -7.669 5.410 0.742 57 HE ARG 27 HE ARG 27 -8.595 7.466 -0.979 58 HH11 ARG 27 HH11 ARG 27 -9.808 4.849 1.034 59 HH12 ARG 27 HH12 ARG 27 -11.344 5.606 1.303 60 HH21 ARG 27 HH21 ARG 27 -10.610 8.444 -0.621 61 HH22 ARG 27 HH22 ARG 27 -11.804 7.646 0.355 62 H ALA 28 HN ALA 28 -2.213 5.015 0.435 63 HA ALA 28 HA ALA 28 -1.880 7.470 1.920 64 HB1 ALA 28 HB1 ALA 28 0.159 5.797 0.392 65 HB2 ALA 28 HB2 ALA 28 -0.244 5.635 2.104 66 HB3 ALA 28 HB3 ALA 28 0.532 7.107 1.520 67 H TRP 29 HN TRP 29 -1.780 6.431 -1.420 68 HA TRP 29 HA TRP 29 -1.412 9.207 -2.407 69 HB2 TRP 29 HB2 TRP 29 -0.623 6.687 -3.933 70 HB3 TRP 29 HB1 TRP 29 -0.124 8.350 -4.243 71 HD1 TRP 29 HD1 TRP 29 1.522 9.416 -2.152 72 HE1 TRP 29 HE1 TRP 29 3.428 8.230 -0.905 73 HE3 TRP 29 HE3 TRP 29 0.292 4.555 -3.184 74 HZ2 TRP 29 HZ2 TRP 29 4.309 5.609 -0.419 75 HZ3 TRP 29 HZ3 TRP 29 1.728 2.766 -2.296 76 HH2 TRP 29 HH2 TRP 29 3.698 3.283 -0.940 77 H THR 30 HN THR 30 -2.725 9.813 -4.155 78 HA THR 30 HA THR 30 -5.181 8.282 -4.571 79 HB THR 30 HB THR 30 -5.904 10.283 -5.881 80 HG1 THR 30 HG1 THR 30 -4.083 12.071 -5.241 81 HG21 THR 30 HG21 THR 30 -4.766 10.999 -3.148 82 HG22 THR 30 HG22 THR 30 -6.339 10.254 -3.447 83 HG23 THR 30 HG23 THR 30 -6.020 11.893 -4.014 84 H VAL 31 HN VAL 31 -5.975 8.419 -7.003 85 HA VAL 31 HA VAL 31 -4.499 6.580 -8.504 86 HB VAL 31 HB VAL 31 -6.736 8.478 -9.313 87 HG11 VAL 31 HG11 VAL 31 -7.085 7.143 -11.359 88 HG12 VAL 31 HG12 VAL 31 -5.616 6.232 -11.021 89 HG13 VAL 31 HG13 VAL 31 -5.518 7.954 -11.379 90 HG21 VAL 31 HG21 VAL 31 -7.336 6.773 -7.656 91 HG22 VAL 31 HG22 VAL 31 -6.741 5.499 -8.727 92 HG23 VAL 31 HG23 VAL 31 -8.143 6.465 -9.194 93 H GLU 32 HN GLU 32 -4.739 10.121 -8.882 94 HA GLU 32 HA GLU 32 -3.101 10.346 -11.188 95 HB2 GLU 32 HB2 GLU 32 -3.081 12.768 -10.720 96 HB3 GLU 32 HB1 GLU 32 -4.700 12.101 -10.580 97 HG2 GLU 32 HG2 GLU 32 -4.575 12.157 -8.144 98 HG3 GLU 32 HG1 GLU 32 -2.899 12.698 -8.214 99 H GLN 33 HN GLN 33 -2.384 10.639 -7.698 100 HA GLN 33 HA GLN 33 0.302 11.444 -7.870 101 HB2 GLN 33 HB2 GLN 33 -1.146 9.855 -5.708 102 HB3 GLN 33 HB1 GLN 33 0.516 10.413 -5.532 103 HG2 GLN 33 HG2 GLN 33 -0.241 12.754 -5.756 104 HG3 GLN 33 HG1 GLN 33 -1.902 12.191 -5.944 105 HE21 GLN 33 HE21 GLN 33 0.771 12.551 -3.695 106 HE22 GLN 33 HE22 GLN 33 -0.167 12.373 -2.255 107 H LEU 34 HN LEU 34 -1.167 8.251 -8.051 108 HA LEU 34 HA LEU 34 1.262 6.735 -7.930 109 HB2 LEU 34 HB2 LEU 34 -1.449 6.009 -9.081 110 HB3 LEU 34 HB1 LEU 34 -0.133 4.870 -8.818 111 HG LEU 34 HG LEU 34 -1.519 6.429 -6.604 112 HD11 LEU 34 HD11 LEU 34 -3.048 4.855 -7.664 113 HD12 LEU 34 HD12 LEU 34 -2.623 4.345 -6.033 114 HD13 LEU 34 HD13 LEU 34 -1.888 3.546 -7.426 115 HD21 LEU 34 HD21 LEU 34 0.801 5.804 -6.041 116 HD22 LEU 34 HD22 LEU 34 0.440 4.115 -6.415 117 HD23 LEU 34 HD23 LEU 34 -0.372 4.921 -5.069 118 H ARG 35 HN ARG 35 -0.894 7.730 -10.603 119 HA ARG 35 HA ARG 35 0.508 6.625 -12.759 120 HB2 ARG 35 HB2 ARG 35 -1.320 9.053 -12.639 121 HB3 ARG 35 HB1 ARG 35 -0.700 8.390 -14.148 122 HG2 ARG 35 HG2 ARG 35 -1.823 6.226 -13.629 123 HG3 ARG 35 HG1 ARG 35 -2.507 6.959 -12.175 124 HD2 ARG 35 HD2 ARG 35 -2.983 7.958 -15.005 125 HD3 ARG 35 HD1 ARG 35 -4.077 6.900 -14.119 126 HE ARG 35 HE ARG 35 -4.418 8.700 -12.513 127 HH11 ARG 35 HH11 ARG 35 -2.963 9.703 -15.562 128 HH12 ARG 35 HH12 ARG 35 -3.617 11.308 -15.478 129 HH21 ARG 35 HH21 ARG 35 -5.286 10.788 -12.440 130 HH22 ARG 35 HH22 ARG 35 -4.941 11.917 -13.708 131 H SER 36 HN SER 36 1.031 9.571 -10.983 132 HA SER 36 HA SER 36 2.740 11.039 -12.583 133 HB2 SER 36 HB2 SER 36 1.884 11.866 -10.443 134 HB3 SER 36 HB1 SER 36 2.801 10.646 -9.569 135 HG SER 36 HG SER 36 3.699 12.960 -10.871 136 H GLU 37 HN GLU 37 4.630 10.596 -13.458 137 HA GLU 37 HA GLU 37 6.147 8.227 -12.950 138 HB2 GLU 37 HB2 GLU 37 7.718 9.171 -14.669 139 HB3 GLU 37 HB1 GLU 37 6.044 9.092 -15.208 140 HG2 GLU 37 HG2 GLU 37 5.789 11.521 -14.725 141 HG3 GLU 37 HG1 GLU 37 7.479 11.586 -14.234 142 H GLN 38 HN GLN 38 6.107 11.280 -11.445 143 HA GLN 38 HA GLN 38 8.721 11.430 -10.344 144 HB2 GLN 38 HB2 GLN 38 6.042 12.317 -9.164 145 HB3 GLN 38 HB1 GLN 38 7.627 12.811 -8.559 146 HG2 GLN 38 HG2 GLN 38 8.086 14.018 -10.619 147 HG3 GLN 38 HG1 GLN 38 6.594 13.414 -11.345 148 HE21 GLN 38 HE21 GLN 38 7.504 16.197 -10.794 149 HE22 GLN 38 HE22 GLN 38 6.237 16.913 -9.865 150 H LEU 39 HN LEU 39 5.699 9.910 -9.213 151 HA LEU 39 HA LEU 39 6.875 8.707 -6.866 152 HB2 LEU 39 HB2 LEU 39 4.385 9.463 -7.321 153 HB3 LEU 39 HB1 LEU 39 4.215 7.893 -8.085 154 HG LEU 39 HG LEU 39 5.023 8.307 -5.170 155 HD11 LEU 39 HD11 LEU 39 2.733 9.087 -5.522 156 HD12 LEU 39 HD12 LEU 39 2.760 7.613 -4.559 157 HD13 LEU 39 HD13 LEU 39 2.302 7.543 -6.264 158 HD21 LEU 39 HD21 LEU 39 4.185 5.761 -6.591 159 HD22 LEU 39 HD22 LEU 39 4.531 5.924 -4.863 160 HD23 LEU 39 HD23 LEU 39 5.815 6.163 -6.041 161 HA PRO 40 HA PRO 40 8.626 5.255 -9.371 162 HB2 PRO 40 HB2 PRO 40 9.236 4.178 -6.623 163 HB3 PRO 40 HB1 PRO 40 10.311 4.400 -8.011 164 HG2 PRO 40 HG2 PRO 40 10.457 6.073 -5.952 165 HG3 PRO 40 HG1 PRO 40 10.564 6.703 -7.612 166 HD2 PRO 40 HD2 PRO 40 8.177 6.684 -5.749 167 HD3 PRO 40 HD1 PRO 40 8.803 8.017 -6.752 168 H LYS 41 HN LYS 41 8.359 2.910 -9.490 169 HA LYS 41 HA LYS 41 5.614 2.088 -9.003 170 HB2 LYS 41 HB2 LYS 41 7.948 0.618 -10.317 171 HB3 LYS 41 HB1 LYS 41 6.279 0.043 -10.293 172 HG2 LYS 41 HG2 LYS 41 5.592 2.066 -11.575 173 HG3 LYS 41 HG1 LYS 41 7.280 2.576 -11.646 174 HD2 LYS 41 HD2 LYS 41 6.124 0.029 -12.856 175 HD3 LYS 41 HD1 LYS 41 6.569 1.487 -13.746 176 HE2 LYS 41 HE2 LYS 41 8.488 -0.292 -12.195 177 HE3 LYS 41 HE1 LYS 41 8.289 -0.271 -13.947 178 HZ1 LYS 41 HZ1 LYS 41 10.187 1.011 -13.368 179 HZ2 LYS 41 HZ2 LYS 41 9.319 1.915 -12.239 180 HZ3 LYS 41 HZ3 LYS 41 8.990 2.086 -13.885 181 H LYS 42 HN LYS 42 8.697 1.631 -7.499 182 HA LYS 42 HA LYS 42 8.387 -0.982 -6.485 183 HB2 LYS 42 HB2 LYS 42 10.352 -0.419 -5.044 184 HB3 LYS 42 HB1 LYS 42 10.587 -0.038 -6.747 185 HG2 LYS 42 HG2 LYS 42 10.148 2.358 -6.265 186 HG3 LYS 42 HG1 LYS 42 9.925 1.969 -4.560 187 HD2 LYS 42 HD2 LYS 42 12.165 2.874 -4.901 188 HD3 LYS 42 HD1 LYS 42 12.282 1.172 -4.444 189 HE2 LYS 42 HE2 LYS 42 12.654 0.562 -6.808 190 HE3 LYS 42 HE1 LYS 42 12.504 2.256 -7.279 191 HZ1 LYS 42 HZ1 LYS 42 14.803 1.518 -7.097 192 HZ2 LYS 42 HZ2 LYS 42 14.584 1.176 -5.458 193 HZ3 LYS 42 HZ3 LYS 42 14.464 2.772 -6.014 194 H ASP 43 HN ASP 43 7.826 2.184 -4.907 195 HA ASP 43 HA ASP 43 7.159 1.007 -2.373 196 HB2 ASP 43 HB2 ASP 43 6.549 3.298 -1.657 197 HB3 ASP 43 HB1 ASP 43 8.162 3.195 -2.336 198 H ILE 44 HN ILE 44 5.336 1.879 -5.193 199 HA ILE 44 HA ILE 44 2.708 1.709 -4.095 200 HB ILE 44 HB ILE 44 3.603 0.992 -6.933 201 HG12 ILE 44 HG12 ILE 44 2.609 3.657 -5.818 202 HG13 ILE 44 HG11 ILE 44 4.262 3.302 -6.313 203 HG21 ILE 44 HG21 ILE 44 0.828 1.734 -5.919 204 HG22 ILE 44 HG22 ILE 44 1.345 0.125 -6.424 205 HG23 ILE 44 HG23 ILE 44 1.266 1.431 -7.605 206 HD11 ILE 44 HD11 ILE 44 1.841 3.425 -8.113 207 HD12 ILE 44 HD12 ILE 44 3.477 3.010 -8.633 208 HD13 ILE 44 HD13 ILE 44 3.136 4.615 -7.991 209 H ILE 45 HN ILE 45 4.731 -0.728 -5.783 210 HA ILE 45 HA ILE 45 3.060 -2.973 -5.425 211 HB ILE 45 HB ILE 45 6.103 -2.866 -5.682 212 HG12 ILE 45 HG12 ILE 45 4.014 -3.348 -7.864 213 HG13 ILE 45 HG11 ILE 45 4.789 -1.797 -7.570 214 HG21 ILE 45 HG21 ILE 45 5.411 -5.068 -4.812 215 HG22 ILE 45 HG22 ILE 45 5.984 -5.217 -6.472 216 HG23 ILE 45 HG23 ILE 45 4.251 -5.248 -6.135 217 HD11 ILE 45 HD11 ILE 45 5.806 -2.925 -9.435 218 HD12 ILE 45 HD12 ILE 45 6.166 -4.333 -8.441 219 HD13 ILE 45 HD13 ILE 45 6.965 -2.792 -8.116 220 H LYS 46 HN LYS 46 5.531 -1.515 -3.347 221 HA LYS 46 HA LYS 46 5.717 -3.442 -1.310 222 HB2 LYS 46 HB2 LYS 46 7.083 -1.210 -1.718 223 HB3 LYS 46 HB1 LYS 46 5.857 -0.458 -0.717 224 HG2 LYS 46 HG2 LYS 46 7.745 -2.689 0.110 225 HG3 LYS 46 HG1 LYS 46 7.875 -0.994 0.569 226 HD2 LYS 46 HD2 LYS 46 5.741 -1.205 1.840 227 HD3 LYS 46 HD1 LYS 46 5.661 -2.912 1.393 228 HE2 LYS 46 HE2 LYS 46 6.536 -2.705 3.657 229 HE3 LYS 46 HE1 LYS 46 7.810 -3.301 2.596 230 HZ1 LYS 46 HZ1 LYS 46 8.626 -1.610 4.103 231 HZ2 LYS 46 HZ2 LYS 46 7.494 -0.497 3.525 232 HZ3 LYS 46 HZ3 LYS 46 8.719 -1.058 2.506 233 H PHE 47 HN PHE 47 3.604 -0.602 -1.649 234 HA PHE 47 HA PHE 47 2.103 -0.813 0.714 235 HB2 PHE 47 HB2 PHE 47 2.069 1.238 -0.542 236 HB3 PHE 47 HB1 PHE 47 1.499 0.428 -1.992 237 HD1 PHE 47 HD2 PHE 47 0.275 0.603 1.568 238 HD2 PHE 47 HD1 PHE 47 -0.668 1.135 -2.564 239 HE1 PHE 47 HE2 PHE 47 -2.032 1.217 2.176 240 HE2 PHE 47 HE1 PHE 47 -2.976 1.742 -1.955 241 HZ PHE 47 HZ PHE 47 -3.658 1.787 0.412 242 H LEU 48 HN LEU 48 1.515 -2.135 -2.505 243 HA LEU 48 HA LEU 48 -1.071 -3.196 -1.952 244 HB2 LEU 48 HB2 LEU 48 0.857 -3.717 -4.246 245 HB3 LEU 48 HB1 LEU 48 -0.822 -4.239 -4.218 246 HG LEU 48 HG LEU 48 0.109 -1.328 -4.178 247 HD11 LEU 48 HD11 LEU 48 -1.168 -2.893 -6.439 248 HD12 LEU 48 HD12 LEU 48 0.512 -2.357 -6.360 249 HD13 LEU 48 HD13 LEU 48 -0.783 -1.167 -6.457 250 HD21 LEU 48 HD21 LEU 48 -2.002 -1.579 -2.963 251 HD22 LEU 48 HD22 LEU 48 -2.715 -2.445 -4.330 252 HD23 LEU 48 HD23 LEU 48 -2.263 -0.746 -4.493 253 H GLN 49 HN GLN 49 2.204 -4.577 -1.829 254 HA GLN 49 HA GLN 49 1.179 -7.236 -1.183 255 HB2 GLN 49 HB2 GLN 49 3.417 -8.044 -1.187 256 HB3 GLN 49 HB1 GLN 49 3.246 -6.978 -2.572 257 HG2 GLN 49 HG2 GLN 49 4.433 -5.200 -1.323 258 HG3 GLN 49 HG1 GLN 49 4.627 -6.305 0.038 259 HE21 GLN 49 HE21 GLN 49 4.952 -7.152 -3.416 260 HE22 GLN 49 HE22 GLN 49 6.637 -7.522 -3.337 261 H GLU 50 HN GLU 50 2.140 -4.431 0.520 262 HA GLU 50 HA GLU 50 2.953 -5.380 3.025 263 HB2 GLU 50 HB2 GLU 50 3.136 -3.013 2.290 264 HB3 GLU 50 HB1 GLU 50 1.392 -2.851 2.324 265 HG2 GLU 50 HG2 GLU 50 2.201 -1.757 4.255 266 HG3 GLU 50 HG1 GLU 50 1.472 -3.260 4.812 267 H HIS 51 HN HIS 51 -0.295 -4.868 1.692 268 HA HIS 51 HA HIS 51 -1.483 -6.156 4.075 269 HB2 HIS 51 HB2 HIS 51 -2.150 -3.444 2.948 270 HB3 HIS 51 HB1 HIS 51 -3.466 -4.408 3.599 271 HD1 HIS 51 HD1 HIS 51 0.029 -3.943 5.063 272 HD2 HIS 51 HD2 HIS 51 -3.938 -3.221 6.007 273 HE1 HIS 51 HE1 HIS 51 0.058 -3.080 7.409 274 HE2 HIS 51 HE2 HIS 51 -2.375 -2.854 8.026 275 H GLY 52 HN GLY 52 -1.741 -5.510 0.588 276 HA2 GLY 52 HA2 GLY 52 -4.143 -6.852 0.004 277 HA3 GLY 52 HA1 GLY 52 -2.772 -6.707 -1.085 278 H SER 53 HN SER 53 -4.713 -8.956 0.262 279 HA SER 53 HA SER 53 -2.913 -10.826 1.464 280 HB2 SER 53 HB2 SER 53 -5.323 -10.606 2.067 281 HB3 SER 53 HB1 SER 53 -5.766 -11.247 0.486 282 HG SER 53 HG SER 53 -5.802 -12.953 1.866 283 H ASP 54 HN ASP 54 -3.273 -13.286 0.610 284 HA ASP 54 HA ASP 54 -1.293 -13.458 -1.347 285 HB2 ASP 54 HB2 ASP 54 -1.527 -15.893 -1.177 286 HB3 ASP 54 HB1 ASP 54 -1.596 -15.153 0.416 287 H SER 55 HN SER 55 -4.793 -13.838 -1.684 288 HA SER 55 HA SER 55 -4.773 -14.953 -4.317 289 HB2 SER 55 HB2 SER 55 -6.727 -15.145 -2.761 290 HB3 SER 55 HB1 SER 55 -7.020 -13.415 -2.933 291 HG SER 55 HG SER 55 -7.504 -13.732 -5.097 292 H PHE 56 HN PHE 56 -5.077 -11.645 -3.044 293 HA PHE 56 HA PHE 56 -5.446 -10.228 -5.449 294 HB2 PHE 56 HB2 PHE 56 -5.751 -9.127 -3.299 295 HB3 PHE 56 HB1 PHE 56 -4.082 -9.412 -2.842 296 HD1 PHE 56 HD1 PHE 56 -6.087 -7.682 -5.524 297 HD2 PHE 56 HD2 PHE 56 -2.561 -7.632 -3.108 298 HE1 PHE 56 HE1 PHE 56 -5.477 -5.484 -6.444 299 HE2 PHE 56 HE2 PHE 56 -1.963 -5.444 -4.032 300 HZ PHE 56 HZ PHE 56 -3.413 -4.362 -5.702 301 H LEU 57 HN LEU 57 -2.513 -11.119 -3.695 302 HA LEU 57 HA LEU 57 -0.672 -9.843 -5.431 303 HB2 LEU 57 HB2 LEU 57 -0.239 -12.049 -3.393 304 HB3 LEU 57 HB1 LEU 57 1.039 -11.132 -4.173 305 HG LEU 57 HG LEU 57 -1.020 -10.064 -2.213 306 HD11 LEU 57 HD11 LEU 57 0.813 -11.304 -1.158 307 HD12 LEU 57 HD12 LEU 57 0.905 -9.586 -0.775 308 HD13 LEU 57 HD13 LEU 57 1.997 -10.283 -1.977 309 HD21 LEU 57 HD21 LEU 57 1.115 -8.485 -3.689 310 HD22 LEU 57 HD22 LEU 57 0.023 -7.870 -2.442 311 HD23 LEU 57 HD23 LEU 57 -0.623 -8.397 -3.989 312 H ALA 58 HN ALA 58 -2.025 -13.112 -5.374 313 HA ALA 58 HA ALA 58 -0.210 -14.258 -7.258 314 HB1 ALA 58 HB1 ALA 58 -3.001 -15.170 -6.479 315 HB2 ALA 58 HB2 ALA 58 -1.506 -15.611 -5.651 316 HB3 ALA 58 HB3 ALA 58 -1.779 -16.138 -7.312 317 H GLU 59 HN GLU 59 -3.553 -13.030 -7.566 318 HA GLU 59 HA GLU 59 -3.864 -13.534 -10.349 319 HB2 GLU 59 HB2 GLU 59 -5.365 -11.580 -8.556 320 HB3 GLU 59 HB1 GLU 59 -5.892 -12.086 -10.157 321 HG2 GLU 59 HG2 GLU 59 -6.176 -14.385 -9.387 322 HG3 GLU 59 HG1 GLU 59 -5.552 -13.957 -7.795 323 H HIS 60 HN HIS 60 -2.721 -10.731 -8.542 324 HA HIS 60 HA HIS 60 -2.467 -9.109 -10.996 325 HB2 HIS 60 HB2 HIS 60 -2.208 -8.305 -8.072 326 HB3 HIS 60 HB1 HIS 60 -2.037 -7.204 -9.434 327 HD1 HIS 60 HD1 HIS 60 -4.116 -6.073 -10.179 328 HD2 HIS 60 HD2 HIS 60 -4.931 -9.432 -7.887 329 HE1 HIS 60 HE1 HIS 60 -6.584 -6.017 -9.762 330 HE2 HIS 60 HE2 HIS 60 -7.080 -8.183 -8.584 331 H LYS 61 HN LYS 61 -0.592 -11.208 -9.169 332 HA LYS 61 HA LYS 61 1.589 -11.788 -9.105 333 HB2 LYS 61 HB2 LYS 61 1.627 -10.211 -11.706 334 HB3 LYS 61 HB1 LYS 61 2.992 -11.190 -11.154 335 HG2 LYS 61 HG2 LYS 61 1.575 -13.206 -11.197 336 HG3 LYS 61 HG1 LYS 61 0.186 -12.241 -11.718 337 HD2 LYS 61 HD2 LYS 61 1.324 -11.686 -13.820 338 HD3 LYS 61 HD1 LYS 61 2.778 -12.543 -13.298 339 HE2 LYS 61 HE2 LYS 61 1.459 -13.889 -14.884 340 HE3 LYS 61 HE1 LYS 61 1.533 -14.668 -13.305 341 HZ1 LYS 61 HZ1 LYS 61 -0.736 -13.037 -14.278 342 HZ2 LYS 61 HZ2 LYS 61 -0.676 -13.886 -12.822 343 HZ3 LYS 61 HZ3 LYS 61 -0.682 -14.715 -14.290 344 H LEU 62 HN LEU 62 1.006 -9.732 -7.428 345 HA LEU 62 HA LEU 62 3.259 -7.817 -7.553 346 HB2 LEU 62 HB2 LEU 62 0.749 -7.792 -5.848 347 HB3 LEU 62 HB1 LEU 62 1.980 -6.531 -5.868 348 HG LEU 62 HG LEU 62 0.208 -7.302 -8.228 349 HD11 LEU 62 HD11 LEU 62 -1.073 -6.174 -6.494 350 HD12 LEU 62 HD12 LEU 62 -0.882 -5.137 -7.904 351 HD13 LEU 62 HD13 LEU 62 0.091 -4.846 -6.458 352 HD21 LEU 62 HD21 LEU 62 2.379 -6.505 -9.015 353 HD22 LEU 62 HD22 LEU 62 2.259 -5.066 -7.998 354 HD23 LEU 62 HD23 LEU 62 1.138 -5.297 -9.345 355 H LEU 63 HN LEU 63 2.633 -10.786 -6.252 356 HA LEU 63 HA LEU 63 3.882 -10.471 -3.669 357 HB2 LEU 63 HB2 LEU 63 4.008 -13.063 -3.766 358 HB3 LEU 63 HB1 LEU 63 2.445 -12.296 -3.660 359 HG LEU 63 HG LEU 63 2.131 -12.673 -6.141 360 HD11 LEU 63 HD11 LEU 63 4.607 -14.400 -5.913 361 HD12 LEU 63 HD12 LEU 63 4.440 -12.927 -6.875 362 HD13 LEU 63 HD13 LEU 63 3.495 -14.355 -7.286 363 HD21 LEU 63 HD21 LEU 63 2.534 -15.152 -4.444 364 HD22 LEU 63 HD22 LEU 63 1.545 -15.036 -5.903 365 HD23 LEU 63 HD23 LEU 63 1.093 -14.126 -4.462 366 H GLY 64 HN GLY 64 5.873 -11.480 -3.034 367 HA2 GLY 64 HA2 GLY 64 7.969 -12.449 -3.335 368 HA3 GLY 64 HA1 GLY 64 7.808 -12.268 -5.075 369 H ASN 65 HN ASN 65 9.960 -11.498 -5.062 370 HA ASN 65 HA ASN 65 10.930 -9.260 -3.664 371 HB2 ASN 65 HB2 ASN 65 11.814 -10.420 -6.338 372 HB3 ASN 65 HB1 ASN 65 12.729 -9.230 -5.421 373 HD21 ASN 65 HD21 ASN 65 11.687 -12.576 -5.553 374 HD22 ASN 65 HD22 ASN 65 12.783 -13.165 -4.356 375 H ILE 66 HN ILE 66 10.324 -7.184 -3.835 376 HA ILE 66 HA ILE 66 8.395 -6.120 -5.491 377 HB ILE 66 HB ILE 66 10.682 -4.628 -4.127 378 HG12 ILE 66 HG12 ILE 66 7.802 -5.078 -3.202 379 HG13 ILE 66 HG11 ILE 66 9.208 -5.948 -2.595 380 HG21 ILE 66 HG21 ILE 66 9.257 -2.591 -4.286 381 HG22 ILE 66 HG22 ILE 66 8.089 -3.494 -5.252 382 HG23 ILE 66 HG23 ILE 66 9.710 -3.200 -5.878 383 HD11 ILE 66 HD11 ILE 66 8.732 -2.985 -2.325 384 HD12 ILE 66 HD12 ILE 66 10.110 -3.879 -1.675 385 HD13 ILE 66 HD13 ILE 66 8.481 -4.197 -1.073 386 H LYS 67 HN LYS 67 11.931 -5.766 -5.890 387 HA LYS 67 HA LYS 67 11.870 -4.223 -8.228 388 HB2 LYS 67 HB2 LYS 67 14.254 -4.702 -8.502 389 HB3 LYS 67 HB1 LYS 67 13.871 -4.287 -6.837 390 HG2 LYS 67 HG2 LYS 67 14.152 -7.188 -7.693 391 HG3 LYS 67 HG1 LYS 67 15.566 -6.201 -7.313 392 HD2 LYS 67 HD2 LYS 67 14.575 -5.757 -5.041 393 HD3 LYS 67 HD1 LYS 67 13.269 -6.883 -5.429 394 HE2 LYS 67 HE2 LYS 67 14.881 -8.715 -5.638 395 HE3 LYS 67 HE1 LYS 67 16.227 -7.606 -5.370 396 HZ1 LYS 67 HZ1 LYS 67 14.096 -8.230 -3.400 397 HZ2 LYS 67 HZ2 LYS 67 15.421 -7.211 -3.147 398 HZ3 LYS 67 HZ3 LYS 67 15.661 -8.864 -3.392 399 H ASN 68 HN ASN 68 11.989 -7.751 -7.820 400 HA ASN 68 HA ASN 68 12.312 -8.522 -10.516 401 HB2 ASN 68 HB2 ASN 68 12.619 -10.142 -8.723 402 HB3 ASN 68 HB1 ASN 68 10.958 -9.929 -8.179 403 HD21 ASN 68 HD21 ASN 68 13.022 -11.412 -10.588 404 HD22 ASN 68 HD22 ASN 68 11.827 -12.471 -11.240 405 H VAL 69 HN VAL 69 9.448 -7.755 -8.604 406 HA VAL 69 HA VAL 69 7.517 -8.225 -10.669 407 HB VAL 69 HB VAL 69 7.306 -6.569 -8.104 408 HG11 VAL 69 HG11 VAL 69 4.849 -6.801 -8.350 409 HG12 VAL 69 HG12 VAL 69 5.073 -7.598 -9.911 410 HG13 VAL 69 HG13 VAL 69 5.549 -5.911 -9.702 411 HG21 VAL 69 HG21 VAL 69 6.162 -8.556 -7.150 412 HG22 VAL 69 HG22 VAL 69 7.816 -8.926 -7.639 413 HG23 VAL 69 HG23 VAL 69 6.464 -9.443 -8.647 414 H ALA 70 HN ALA 70 9.388 -5.428 -9.578 415 HA ALA 70 HA ALA 70 7.836 -3.397 -10.813 416 HB1 ALA 70 HB1 ALA 70 10.680 -3.211 -9.772 417 HB2 ALA 70 HB2 ALA 70 9.215 -2.970 -8.819 418 HB3 ALA 70 HB3 ALA 70 9.606 -1.853 -10.130 419 H LYS 71 HN LYS 71 10.482 -5.376 -11.945 420 HA LYS 71 HA LYS 71 11.214 -3.657 -14.153 421 HB2 LYS 71 HB2 LYS 71 12.658 -5.508 -14.878 422 HB3 LYS 71 HB1 LYS 71 12.882 -5.153 -13.170 423 HG2 LYS 71 HG2 LYS 71 11.556 -7.102 -12.548 424 HG3 LYS 71 HG1 LYS 71 11.211 -7.456 -14.243 425 HD2 LYS 71 HD2 LYS 71 13.976 -7.473 -12.960 426 HD3 LYS 71 HD1 LYS 71 13.006 -8.905 -13.311 427 HE2 LYS 71 HE2 LYS 71 13.113 -8.367 -15.738 428 HE3 LYS 71 HE1 LYS 71 14.099 -6.948 -15.372 429 HZ1 LYS 71 HZ1 LYS 71 14.826 -9.781 -14.889 430 HZ2 LYS 71 HZ2 LYS 71 15.754 -8.458 -14.405 431 HZ3 LYS 71 HZ3 LYS 71 15.494 -8.744 -16.048 432 H THR 72 HN THR 72 8.718 -5.942 -13.609 433 HA THR 72 HA THR 72 7.990 -5.974 -16.487 434 HB THR 72 HB THR 72 8.639 -8.237 -15.748 435 HG1 THR 72 HG1 THR 72 5.811 -7.996 -16.074 436 HG21 THR 72 HG21 THR 72 6.458 -8.013 -13.644 437 HG22 THR 72 HG22 THR 72 8.194 -8.046 -13.330 438 HG23 THR 72 HG23 THR 72 7.392 -9.460 -14.016 439 H ALA 73 HN ALA 73 7.256 -4.573 -13.602 440 HA ALA 73 HA ALA 73 4.349 -4.520 -13.931 441 HB1 ALA 73 HB1 ALA 73 5.241 -4.658 -11.642 442 HB2 ALA 73 HB2 ALA 73 4.327 -3.167 -11.871 443 HB3 ALA 73 HB3 ALA 73 6.093 -3.129 -11.861 444 H ASN 74 HN ASN 74 3.501 -3.110 -15.330 445 HA ASN 74 HA ASN 74 4.782 -0.510 -15.851 446 HB2 ASN 74 HB2 ASN 74 2.923 -0.209 -17.537 447 HB3 ASN 74 HB1 ASN 74 3.967 -1.583 -17.861 448 HD21 ASN 74 HD21 ASN 74 1.117 -0.921 -18.581 449 HD22 ASN 74 HD22 ASN 74 0.233 -2.336 -18.138 450 H LYS 75 HN LYS 75 3.672 1.459 -15.427 451 HA LYS 75 HA LYS 75 2.798 1.578 -12.770 452 HB2 LYS 75 HB2 LYS 75 4.019 3.422 -13.904 453 HB3 LYS 75 HB1 LYS 75 2.614 3.740 -14.915 454 HG2 LYS 75 HG2 LYS 75 2.658 5.383 -13.152 455 HG3 LYS 75 HG1 LYS 75 1.301 4.293 -12.860 456 HD2 LYS 75 HD2 LYS 75 2.300 4.585 -10.729 457 HD3 LYS 75 HD1 LYS 75 2.855 3.000 -11.259 458 HE2 LYS 75 HE2 LYS 75 4.680 4.294 -10.222 459 HE3 LYS 75 HE1 LYS 75 5.027 3.981 -11.924 460 HZ1 LYS 75 HZ1 LYS 75 4.336 6.210 -12.464 461 HZ2 LYS 75 HZ2 LYS 75 5.527 6.264 -11.265 462 HZ3 LYS 75 HZ3 LYS 75 3.908 6.517 -10.855 463 H ASP 76 HN ASP 76 0.975 1.825 -15.790 464 HA ASP 76 HA ASP 76 -1.492 2.686 -14.692 465 HB2 ASP 76 HB2 ASP 76 -2.462 2.028 -16.888 466 HB3 ASP 76 HB1 ASP 76 -1.021 3.023 -17.044 467 H HIS 77 HN HIS 77 -0.135 -0.551 -15.217 468 HA HIS 77 HA HIS 77 -2.463 -2.077 -14.552 469 HB2 HIS 77 HB2 HIS 77 -0.593 -3.125 -15.730 470 HB3 HIS 77 HB1 HIS 77 0.507 -2.756 -14.413 471 HD1 HIS 77 HD1 HIS 77 -2.073 -5.214 -15.501 472 HD2 HIS 77 HD2 HIS 77 0.344 -4.519 -12.194 473 HE1 HIS 77 HE1 HIS 77 -2.160 -7.322 -14.152 474 HE2 HIS 77 HE2 HIS 77 -0.486 -6.961 -12.310 475 H LEU 78 HN LEU 78 0.121 -0.582 -12.666 476 HA LEU 78 HA LEU 78 -0.450 -1.863 -10.170 477 HB2 LEU 78 HB2 LEU 78 1.001 0.761 -10.695 478 HB3 LEU 78 HB1 LEU 78 0.990 -0.107 -9.161 479 HG LEU 78 HG LEU 78 2.241 -1.079 -11.764 480 HD11 LEU 78 HD11 LEU 78 4.369 -0.845 -10.575 481 HD12 LEU 78 HD12 LEU 78 3.528 -0.206 -9.160 482 HD13 LEU 78 HD13 LEU 78 3.523 0.699 -10.678 483 HD21 LEU 78 HD21 LEU 78 1.316 -2.985 -10.516 484 HD22 LEU 78 HD22 LEU 78 2.163 -2.465 -9.057 485 HD23 LEU 78 HD23 LEU 78 3.077 -2.999 -10.469 486 H VAL 79 HN VAL 79 -1.523 1.120 -11.691 487 HA VAL 79 HA VAL 79 -2.998 2.163 -9.468 488 HB VAL 79 HB VAL 79 -3.334 2.775 -12.447 489 HG11 VAL 79 HG11 VAL 79 -4.205 4.368 -10.004 490 HG12 VAL 79 HG12 VAL 79 -5.269 3.533 -11.135 491 HG13 VAL 79 HG13 VAL 79 -4.328 4.922 -11.678 492 HG21 VAL 79 HG21 VAL 79 -1.621 4.228 -10.388 493 HG22 VAL 79 HG22 VAL 79 -1.839 4.697 -12.074 494 HG23 VAL 79 HG23 VAL 79 -1.007 3.195 -11.679 495 H THR 80 HN THR 80 -3.796 0.166 -12.292 496 HA THR 80 HA THR 80 -6.557 -0.188 -11.882 497 HB THR 80 HB THR 80 -4.558 -2.169 -13.074 498 HG1 THR 80 HG1 THR 80 -4.502 -0.811 -14.674 499 HG21 THR 80 HG21 THR 80 -7.575 -1.992 -13.475 500 HG22 THR 80 HG22 THR 80 -6.737 -3.251 -12.565 501 HG23 THR 80 HG23 THR 80 -6.489 -3.106 -14.306 502 H ALA 81 HN ALA 81 -3.762 -2.064 -10.681 503 HA ALA 81 HA ALA 81 -5.179 -4.068 -9.285 504 HB1 ALA 81 HB1 ALA 81 -3.015 -4.548 -8.202 505 HB2 ALA 81 HB2 ALA 81 -2.365 -3.019 -8.802 506 HB3 ALA 81 HB3 ALA 81 -2.810 -4.295 -9.936 507 H TYR 82 HN TYR 82 -3.820 -0.982 -8.310 508 HA TYR 82 HA TYR 82 -4.325 -0.914 -5.582 509 HB2 TYR 82 HB2 TYR 82 -2.928 0.772 -6.404 510 HB3 TYR 82 HB1 TYR 82 -3.963 1.122 -7.774 511 HD1 TYR 82 HD2 TYR 82 -3.410 1.802 -4.161 512 HD2 TYR 82 HD1 TYR 82 -5.722 2.784 -7.626 513 HE1 TYR 82 HE2 TYR 82 -4.277 3.813 -3.032 514 HE2 TYR 82 HE1 TYR 82 -6.558 4.793 -6.509 515 HH TYR 82 HH TYR 82 -5.246 6.047 -3.718 516 H ASN 83 HN ASN 83 -6.413 0.318 -8.228 517 HA ASN 83 HA ASN 83 -8.520 1.211 -6.549 518 HB2 ASN 83 HB2 ASN 83 -8.271 0.722 -9.531 519 HB3 ASN 83 HB1 ASN 83 -9.827 1.167 -8.840 520 HD21 ASN 83 HD21 ASN 83 -7.715 2.571 -10.612 521 HD22 ASN 83 HD22 ASN 83 -7.598 4.131 -9.900 522 H HIS 84 HN HIS 84 -8.039 -1.791 -8.352 523 HA HIS 84 HA HIS 84 -10.564 -2.991 -7.774 524 HB2 HIS 84 HB2 HIS 84 -7.931 -4.059 -8.826 525 HB3 HIS 84 HB1 HIS 84 -9.258 -5.154 -8.464 526 HD1 HIS 84 HD1 HIS 84 -10.742 -5.635 -10.373 527 HD2 HIS 84 HD2 HIS 84 -8.853 -1.970 -10.841 528 HE1 HIS 84 HE1 HIS 84 -11.424 -4.813 -12.642 529 HE2 HIS 84 HE2 HIS 84 -10.361 -2.546 -12.863 530 H LEU 85 HN LEU 85 -7.560 -2.748 -5.967 531 HA LEU 85 HA LEU 85 -7.716 -4.933 -4.213 532 HB2 LEU 85 HB2 LEU 85 -5.771 -3.394 -4.361 533 HB3 LEU 85 HB1 LEU 85 -6.714 -2.103 -3.682 534 HG LEU 85 HG LEU 85 -6.844 -3.289 -1.533 535 HD11 LEU 85 HD11 LEU 85 -5.106 -5.416 -2.802 536 HD12 LEU 85 HD12 LEU 85 -6.780 -5.604 -2.272 537 HD13 LEU 85 HD13 LEU 85 -5.512 -5.306 -1.087 538 HD21 LEU 85 HD21 LEU 85 -3.991 -3.024 -2.518 539 HD22 LEU 85 HD22 LEU 85 -4.508 -3.028 -0.828 540 HD23 LEU 85 HD23 LEU 85 -4.998 -1.714 -1.895 541 H PHE 86 HN PHE 86 -8.888 -1.634 -3.808 542 HA PHE 86 HA PHE 86 -10.178 -2.068 -1.292 543 HB2 PHE 86 HB2 PHE 86 -10.536 0.276 -3.195 544 HB3 PHE 86 HB1 PHE 86 -10.854 0.263 -1.459 545 HD1 PHE 86 HD2 PHE 86 -8.741 -0.220 0.094 546 HD2 PHE 86 HD1 PHE 86 -8.451 0.996 -3.973 547 HE1 PHE 86 HE2 PHE 86 -6.433 0.586 0.482 548 HE2 PHE 86 HE1 PHE 86 -6.181 1.776 -3.565 549 HZ PHE 86 HZ PHE 86 -5.159 1.571 -1.350 550 H GLU 87 HN GLU 87 -11.152 -2.191 -4.630 551 HA GLU 87 HA GLU 87 -13.947 -1.850 -4.361 552 HB2 GLU 87 HB2 GLU 87 -12.720 -1.513 -6.484 553 HB3 GLU 87 HB1 GLU 87 -12.331 -3.231 -6.548 554 HG2 GLU 87 HG2 GLU 87 -14.742 -3.751 -6.773 555 HG3 GLU 87 HG1 GLU 87 -15.117 -2.029 -6.715 556 H THR 88 HN THR 88 -11.869 -4.689 -4.063 557 HA THR 88 HA THR 88 -14.238 -6.409 -3.545 558 HB THR 88 HB THR 88 -12.564 -8.329 -4.080 559 HG1 THR 88 HG1 THR 88 -11.227 -6.253 -5.490 560 HG21 THR 88 HG21 THR 88 -13.443 -6.497 -6.343 561 HG22 THR 88 HG22 THR 88 -14.419 -7.774 -5.611 562 HG23 THR 88 HG23 THR 88 -12.959 -8.185 -6.515 563 H LYS 89 HN LYS 89 -11.920 -4.723 -1.953 564 HA LYS 89 HA LYS 89 -11.040 -4.726 0.135 565 HB2 LYS 89 HB2 LYS 89 -13.232 -6.777 0.678 566 HB3 LYS 89 HB1 LYS 89 -12.341 -5.893 1.921 567 HG2 LYS 89 HG2 LYS 89 -13.318 -3.786 1.191 568 HG3 LYS 89 HG1 LYS 89 -14.098 -4.569 -0.186 569 HD2 LYS 89 HD2 LYS 89 -15.721 -4.158 1.636 570 HD3 LYS 89 HD1 LYS 89 -15.521 -5.889 1.346 571 HE2 LYS 89 HE2 LYS 89 -15.601 -5.436 3.749 572 HE3 LYS 89 HE1 LYS 89 -13.997 -6.016 3.312 573 HZ1 LYS 89 HZ1 LYS 89 -14.753 -3.185 3.759 574 HZ2 LYS 89 HZ2 LYS 89 -13.214 -3.730 3.330 575 HZ3 LYS 89 HZ3 LYS 89 -13.877 -4.161 4.823 576 H ARG 90 HN ARG 90 -9.842 -6.494 -1.790 577 HA ARG 90 HA ARG 90 -9.280 -9.105 -0.851 578 HB2 ARG 90 HB2 ARG 90 -8.044 -7.282 -2.906 579 HB3 ARG 90 HB1 ARG 90 -7.204 -8.763 -2.480 580 HG2 ARG 90 HG2 ARG 90 -9.132 -10.097 -3.184 581 HG3 ARG 90 HG1 ARG 90 -10.030 -8.625 -3.578 582 HD2 ARG 90 HD2 ARG 90 -8.578 -8.107 -5.397 583 HD3 ARG 90 HD1 ARG 90 -7.349 -9.245 -4.850 584 HE ARG 90 HE ARG 90 -8.617 -11.036 -5.685 585 HH11 ARG 90 HH11 ARG 90 -10.199 -7.986 -6.391 586 HH12 ARG 90 HH12 ARG 90 -11.131 -8.636 -7.697 587 HH21 ARG 90 HH21 ARG 90 -9.826 -11.876 -7.394 588 HH22 ARG 90 HH22 ARG 90 -10.933 -10.854 -8.254 589 H PHE 91 HN PHE 91 -8.078 -6.133 0.266 590 HA PHE 91 HA PHE 91 -5.572 -7.049 1.329 591 HB2 PHE 91 HB2 PHE 91 -5.637 -4.872 2.600 592 HB3 PHE 91 HB1 PHE 91 -5.762 -4.710 0.856 593 HD1 PHE 91 HD2 PHE 91 -8.021 -4.934 3.890 594 HD2 PHE 91 HD1 PHE 91 -7.388 -3.271 0.019 595 HE1 PHE 91 HE2 PHE 91 -10.032 -3.563 4.143 596 HE2 PHE 91 HE1 PHE 91 -9.406 -1.904 0.283 597 HZ PHE 91 HZ PHE 91 -10.729 -2.049 2.342 598 H LYS 92 HN LYS 92 -5.070 -7.174 3.581 599 HA LYS 92 HA LYS 92 -7.295 -7.711 5.438 600 HB2 LYS 92 HB2 LYS 92 -5.661 -9.159 6.708 601 HB3 LYS 92 HB1 LYS 92 -6.149 -9.790 5.143 602 HG2 LYS 92 HG2 LYS 92 -4.007 -9.142 4.157 603 HG3 LYS 92 HG1 LYS 92 -3.508 -8.378 5.668 604 HD2 LYS 92 HD2 LYS 92 -4.055 -11.345 5.266 605 HD3 LYS 92 HD1 LYS 92 -2.464 -10.595 5.414 606 HE2 LYS 92 HE2 LYS 92 -3.028 -9.887 7.727 607 HE3 LYS 92 HE1 LYS 92 -4.608 -10.658 7.578 608 HZ1 LYS 92 HZ1 LYS 92 -1.985 -12.032 7.442 609 HZ2 LYS 92 HZ2 LYS 92 -3.487 -12.781 7.279 610 HZ3 LYS 92 HZ3 LYS 92 -3.055 -12.060 8.744 Start of MODEL 2 1 H MET 20 H MET 20 -6.938 -8.086 17.854 2 HA MET 20 HA MET 20 -6.078 -9.247 15.967 3 HB2 MET 20 HB2 MET 20 -8.729 -8.502 14.646 4 HB3 MET 20 HB1 MET 20 -7.355 -9.216 13.817 5 HG2 MET 20 HG2 MET 20 -7.582 -11.238 15.231 6 HG3 MET 20 HG1 MET 20 -9.008 -10.523 15.984 7 HE1 MET 20 HE1 MET 20 -8.816 -11.774 11.518 8 HE2 MET 20 HE2 MET 20 -7.498 -12.037 12.656 9 HE3 MET 20 HE3 MET 20 -7.905 -10.396 12.144 10 H ALA 21 HN ALA 21 -4.497 -7.860 15.430 11 HA ALA 21 HA ALA 21 -4.807 -5.021 15.179 12 HB1 ALA 21 HB1 ALA 21 -2.462 -6.800 14.370 13 HB2 ALA 21 HB2 ALA 21 -2.670 -6.009 15.934 14 HB3 ALA 21 HB3 ALA 21 -2.422 -5.036 14.482 15 H ALA 22 HN ALA 22 -6.279 -4.553 13.600 16 HA ALA 22 HA ALA 22 -6.290 -5.841 11.001 17 HB1 ALA 22 HB1 ALA 22 -8.036 -3.610 12.107 18 HB2 ALA 22 HB2 ALA 22 -8.394 -5.335 12.181 19 HB3 ALA 22 HB3 ALA 22 -8.327 -4.517 10.619 20 H ALA 23 HN ALA 23 -4.675 -5.214 9.670 21 HA ALA 23 HA ALA 23 -3.655 -2.538 9.441 22 HB1 ALA 23 HB1 ALA 23 -2.241 -4.476 8.892 23 HB2 ALA 23 HB2 ALA 23 -2.398 -3.414 7.494 24 HB3 ALA 23 HB3 ALA 23 -3.322 -4.919 7.567 25 H VAL 24 HN VAL 24 -5.190 -1.043 8.841 26 HA VAL 24 HA VAL 24 -6.953 -1.557 6.547 27 HB VAL 24 HB VAL 24 -7.961 0.725 7.124 28 HG11 VAL 24 HG11 VAL 24 -9.271 -0.163 9.031 29 HG12 VAL 24 HG12 VAL 24 -8.075 -1.441 9.261 30 HG13 VAL 24 HG13 VAL 24 -9.035 -1.390 7.782 31 HG21 VAL 24 HG21 VAL 24 -6.079 1.689 8.405 32 HG22 VAL 24 HG22 VAL 24 -6.262 0.442 9.639 33 HG23 VAL 24 HG23 VAL 24 -7.540 1.636 9.399 34 HA PRO 25 HA PRO 25 -3.810 0.649 4.060 35 HB2 PRO 25 HB2 PRO 25 -5.397 -0.276 1.741 36 HB3 PRO 25 HB1 PRO 25 -3.717 -0.627 2.160 37 HG2 PRO 25 HG2 PRO 25 -5.646 -2.509 2.331 38 HG3 PRO 25 HG1 PRO 25 -4.279 -2.458 3.462 39 HD2 PRO 25 HD2 PRO 25 -7.096 -1.429 3.864 40 HD3 PRO 25 HD1 PRO 25 -6.093 -2.415 4.955 41 H GLN 26 HN GLN 26 -4.373 2.682 4.557 42 HA GLN 26 HA GLN 26 -6.749 3.998 3.556 43 HB2 GLN 26 HB2 GLN 26 -5.626 6.098 4.420 44 HB3 GLN 26 HB1 GLN 26 -5.844 4.847 5.635 45 HG2 GLN 26 HG2 GLN 26 -3.466 4.224 5.416 46 HG3 GLN 26 HG1 GLN 26 -3.241 5.489 4.209 47 HE21 GLN 26 HE21 GLN 26 -1.664 6.522 5.464 48 HE22 GLN 26 HE22 GLN 26 -2.049 7.408 6.899 49 H ARG 27 HN ARG 27 -6.970 4.767 1.531 50 HA ARG 27 HA ARG 27 -4.934 4.616 -0.428 51 HB2 ARG 27 HB2 ARG 27 -7.204 4.447 -1.164 52 HB3 ARG 27 HB1 ARG 27 -7.652 5.991 -0.441 53 HG2 ARG 27 HG2 ARG 27 -6.310 7.189 -2.094 54 HG3 ARG 27 HG1 ARG 27 -5.730 5.668 -2.766 55 HD2 ARG 27 HD2 ARG 27 -7.451 6.583 -4.197 56 HD3 ARG 27 HD1 ARG 27 -8.043 5.097 -3.444 57 HE ARG 27 HE ARG 27 -8.780 7.844 -2.569 58 HH11 ARG 27 HH11 ARG 27 -9.672 4.467 -3.023 59 HH12 ARG 27 HH12 ARG 27 -11.315 4.712 -2.535 60 HH21 ARG 27 HH21 ARG 27 -10.926 8.145 -1.921 61 HH22 ARG 27 HH22 ARG 27 -12.026 6.807 -1.897 62 H ALA 28 HN ALA 28 -3.212 5.776 -0.377 63 HA ALA 28 HA ALA 28 -3.084 8.434 0.866 64 HB1 ALA 28 HB1 ALA 28 -1.468 6.711 1.598 65 HB2 ALA 28 HB2 ALA 28 -0.642 8.078 0.852 66 HB3 ALA 28 HB3 ALA 28 -0.851 6.575 -0.052 67 H TRP 29 HN TRP 29 -3.318 7.044 -2.213 68 HA TRP 29 HA TRP 29 -2.259 9.431 -3.602 69 HB2 TRP 29 HB2 TRP 29 -1.924 6.556 -4.606 70 HB3 TRP 29 HB1 TRP 29 -1.252 8.019 -5.321 71 HD1 TRP 29 HD1 TRP 29 0.358 9.363 -3.134 72 HE1 TRP 29 HE1 TRP 29 2.318 8.218 -1.924 73 HE3 TRP 29 HE3 TRP 29 -0.843 4.476 -4.068 74 HZ2 TRP 29 HZ2 TRP 29 3.240 5.609 -1.444 75 HZ3 TRP 29 HZ3 TRP 29 0.641 2.709 -3.200 76 HH2 TRP 29 HH2 TRP 29 2.639 3.272 -1.913 77 H THR 30 HN THR 30 -3.764 10.267 -4.942 78 HA THR 30 HA THR 30 -6.124 8.784 -5.753 79 HB THR 30 HB THR 30 -6.646 10.851 -7.097 80 HG1 THR 30 HG1 THR 30 -5.233 12.681 -6.775 81 HG21 THR 30 HG21 THR 30 -5.879 11.411 -4.203 82 HG22 THR 30 HG22 THR 30 -7.411 10.720 -4.750 83 HG23 THR 30 HG23 THR 30 -6.985 12.376 -5.181 84 H VAL 31 HN VAL 31 -6.589 8.966 -8.312 85 HA VAL 31 HA VAL 31 -4.934 7.030 -9.457 86 HB VAL 31 HB VAL 31 -7.285 7.317 -10.144 87 HG11 VAL 31 HG11 VAL 31 -7.990 9.030 -11.773 88 HG12 VAL 31 HG12 VAL 31 -6.398 9.784 -11.666 89 HG13 VAL 31 HG13 VAL 31 -7.452 9.752 -10.251 90 HG21 VAL 31 HG21 VAL 31 -5.806 6.001 -11.595 91 HG22 VAL 31 HG22 VAL 31 -5.374 7.449 -12.505 92 HG23 VAL 31 HG23 VAL 31 -7.029 6.838 -12.557 93 H GLU 32 HN GLU 32 -4.849 10.533 -9.777 94 HA GLU 32 HA GLU 32 -2.895 10.688 -11.866 95 HB2 GLU 32 HB2 GLU 32 -2.860 13.088 -11.388 96 HB3 GLU 32 HB1 GLU 32 -4.519 12.504 -11.421 97 HG2 GLU 32 HG2 GLU 32 -4.534 12.463 -8.937 98 HG3 GLU 32 HG1 GLU 32 -2.894 13.110 -8.926 99 H GLN 33 HN GLN 33 -2.744 10.739 -8.310 100 HA GLN 33 HA GLN 33 -0.004 11.491 -8.043 101 HB2 GLN 33 HB2 GLN 33 -1.825 9.974 -6.119 102 HB3 GLN 33 HB1 GLN 33 -0.235 10.615 -5.697 103 HG2 GLN 33 HG2 GLN 33 -2.632 12.257 -6.562 104 HG3 GLN 33 HG1 GLN 33 -2.075 12.044 -4.900 105 HE21 GLN 33 HE21 GLN 33 -0.107 13.048 -4.253 106 HE22 GLN 33 HE22 GLN 33 0.568 14.357 -5.154 107 H LEU 34 HN LEU 34 -1.666 8.397 -8.371 108 HA LEU 34 HA LEU 34 0.484 6.603 -8.018 109 HB2 LEU 34 HB2 LEU 34 -1.940 6.455 -9.860 110 HB3 LEU 34 HB1 LEU 34 -0.852 5.102 -9.578 111 HG LEU 34 HG LEU 34 -2.453 6.448 -7.365 112 HD11 LEU 34 HD11 LEU 34 -3.131 3.888 -8.838 113 HD12 LEU 34 HD12 LEU 34 -3.970 5.431 -9.022 114 HD13 LEU 34 HD13 LEU 34 -4.006 4.590 -7.477 115 HD21 LEU 34 HD21 LEU 34 -0.430 5.282 -6.586 116 HD22 LEU 34 HD22 LEU 34 -0.948 3.806 -7.407 117 HD23 LEU 34 HD23 LEU 34 -1.889 4.446 -6.057 118 H ARG 35 HN ARG 35 -0.733 8.330 -10.869 119 HA ARG 35 HA ARG 35 1.094 7.293 -12.797 120 HB2 ARG 35 HB2 ARG 35 -0.671 9.771 -12.856 121 HB3 ARG 35 HB1 ARG 35 0.197 9.142 -14.258 122 HG2 ARG 35 HG2 ARG 35 -1.120 7.079 -14.184 123 HG3 ARG 35 HG1 ARG 35 -1.936 7.622 -12.714 124 HD2 ARG 35 HD2 ARG 35 -3.375 7.958 -14.654 125 HD3 ARG 35 HD1 ARG 35 -2.914 9.519 -13.975 126 HE ARG 35 HE ARG 35 -1.239 9.676 -15.796 127 HH11 ARG 35 HH11 ARG 35 -3.954 7.492 -16.301 128 HH12 ARG 35 HH12 ARG 35 -3.882 7.620 -18.029 129 HH21 ARG 35 HH21 ARG 35 -1.170 9.834 -18.056 130 HH22 ARG 35 HH22 ARG 35 -2.306 8.945 -19.022 131 H SER 36 HN SER 36 1.542 9.695 -10.393 132 HA SER 36 HA SER 36 3.332 11.530 -11.529 133 HB2 SER 36 HB2 SER 36 2.390 11.815 -9.267 134 HB3 SER 36 HB1 SER 36 3.266 10.402 -8.690 135 HG SER 36 HG SER 36 4.088 12.856 -8.611 136 H GLU 37 HN GLU 37 5.293 11.201 -12.461 137 HA GLU 37 HA GLU 37 6.396 8.604 -12.721 138 HB2 GLU 37 HB2 GLU 37 8.142 9.635 -14.101 139 HB3 GLU 37 HB1 GLU 37 6.550 10.242 -14.536 140 HG2 GLU 37 HG2 GLU 37 6.990 12.338 -13.331 141 HG3 GLU 37 HG1 GLU 37 8.562 11.733 -12.810 142 H GLN 38 HN GLN 38 7.244 11.340 -10.702 143 HA GLN 38 HA GLN 38 9.768 10.319 -9.796 144 HB2 GLN 38 HB2 GLN 38 8.015 12.561 -8.711 145 HB3 GLN 38 HB1 GLN 38 9.629 12.190 -8.104 146 HG2 GLN 38 HG2 GLN 38 9.033 12.972 -10.977 147 HG3 GLN 38 HG1 GLN 38 9.532 14.104 -9.726 148 HE21 GLN 38 HE21 GLN 38 11.374 14.666 -10.993 149 HE22 GLN 38 HE22 GLN 38 12.752 13.628 -11.087 150 H LEU 39 HN LEU 39 6.454 9.869 -8.812 151 HA LEU 39 HA LEU 39 7.069 8.592 -6.299 152 HB2 LEU 39 HB2 LEU 39 4.824 9.670 -7.053 153 HB3 LEU 39 HB1 LEU 39 4.531 8.177 -7.930 154 HG LEU 39 HG LEU 39 5.022 8.269 -4.921 155 HD11 LEU 39 HD11 LEU 39 2.630 8.136 -4.571 156 HD12 LEU 39 HD12 LEU 39 2.334 8.258 -6.305 157 HD13 LEU 39 HD13 LEU 39 3.053 9.613 -5.430 158 HD21 LEU 39 HD21 LEU 39 5.384 6.042 -5.861 159 HD22 LEU 39 HD22 LEU 39 3.791 6.070 -6.622 160 HD23 LEU 39 HD23 LEU 39 3.932 6.063 -4.861 161 HA PRO 40 HA PRO 40 8.732 5.013 -8.558 162 HB2 PRO 40 HB2 PRO 40 8.956 3.720 -5.870 163 HB3 PRO 40 HB1 PRO 40 10.227 4.107 -7.039 164 HG2 PRO 40 HG2 PRO 40 9.974 5.509 -4.755 165 HG3 PRO 40 HG1 PRO 40 10.456 6.302 -6.273 166 HD2 PRO 40 HD2 PRO 40 7.728 6.224 -4.960 167 HD3 PRO 40 HD1 PRO 40 8.600 7.611 -5.666 168 H LYS 41 HN LYS 41 7.741 3.298 -9.455 169 HA LYS 41 HA LYS 41 5.078 2.530 -8.823 170 HB2 LYS 41 HB2 LYS 41 5.309 0.876 -10.567 171 HB3 LYS 41 HB1 LYS 41 6.122 2.335 -11.104 172 HG2 LYS 41 HG2 LYS 41 8.254 1.383 -10.899 173 HG3 LYS 41 HG1 LYS 41 7.707 0.135 -9.785 174 HD2 LYS 41 HD2 LYS 41 8.212 -0.861 -11.920 175 HD3 LYS 41 HD1 LYS 41 6.476 -0.969 -11.619 176 HE2 LYS 41 HE2 LYS 41 6.037 0.819 -13.187 177 HE3 LYS 41 HE1 LYS 41 7.761 1.167 -13.355 178 HZ1 LYS 41 HZ1 LYS 41 8.065 -1.031 -14.316 179 HZ2 LYS 41 HZ2 LYS 41 6.958 -0.116 -15.209 180 HZ3 LYS 41 HZ3 LYS 41 6.409 -1.340 -14.179 181 H LYS 42 HN LYS 42 8.234 1.253 -7.914 182 HA LYS 42 HA LYS 42 7.345 -1.214 -6.769 183 HB2 LYS 42 HB2 LYS 42 9.661 -1.340 -5.858 184 HB3 LYS 42 HB1 LYS 42 9.613 -0.998 -7.587 185 HG2 LYS 42 HG2 LYS 42 9.952 1.445 -7.017 186 HG3 LYS 42 HG1 LYS 42 10.225 0.947 -5.341 187 HD2 LYS 42 HD2 LYS 42 12.143 -0.442 -6.065 188 HD3 LYS 42 HD1 LYS 42 11.855 0.025 -7.746 189 HE2 LYS 42 HE2 LYS 42 12.313 2.395 -7.138 190 HE3 LYS 42 HE1 LYS 42 12.651 1.884 -5.480 191 HZ1 LYS 42 HZ1 LYS 42 14.142 1.018 -7.895 192 HZ2 LYS 42 HZ2 LYS 42 14.474 0.539 -6.312 193 HZ3 LYS 42 HZ3 LYS 42 14.674 2.152 -6.766 194 H ASP 43 HN ASP 43 7.656 2.052 -5.535 195 HA ASP 43 HA ASP 43 7.345 1.547 -2.764 196 HB2 ASP 43 HB2 ASP 43 7.989 3.760 -3.832 197 HB3 ASP 43 HB1 ASP 43 6.313 3.964 -4.320 198 H ILE 44 HN ILE 44 5.062 1.818 -5.441 199 HA ILE 44 HA ILE 44 2.638 1.659 -3.909 200 HB ILE 44 HB ILE 44 3.015 1.039 -6.880 201 HG12 ILE 44 HG12 ILE 44 2.313 3.729 -5.609 202 HG13 ILE 44 HG11 ILE 44 3.891 3.319 -6.276 203 HG21 ILE 44 HG21 ILE 44 0.617 1.621 -7.101 204 HG22 ILE 44 HG22 ILE 44 0.511 1.866 -5.355 205 HG23 ILE 44 HG23 ILE 44 0.855 0.260 -6.001 206 HD11 ILE 44 HD11 ILE 44 2.865 3.074 -8.504 207 HD12 ILE 44 HD12 ILE 44 2.634 4.683 -7.823 208 HD13 ILE 44 HD13 ILE 44 1.302 3.530 -7.817 209 H ILE 45 HN ILE 45 4.539 -0.681 -5.856 210 HA ILE 45 HA ILE 45 2.943 -2.975 -5.574 211 HB ILE 45 HB ILE 45 5.985 -2.822 -5.810 212 HG12 ILE 45 HG12 ILE 45 3.935 -3.275 -8.018 213 HG13 ILE 45 HG11 ILE 45 4.680 -1.721 -7.670 214 HG21 ILE 45 HG21 ILE 45 5.923 -5.147 -6.669 215 HG22 ILE 45 HG22 ILE 45 4.191 -5.227 -6.345 216 HG23 ILE 45 HG23 ILE 45 5.329 -5.060 -5.009 217 HD11 ILE 45 HD11 ILE 45 6.114 -4.206 -8.602 218 HD12 ILE 45 HD12 ILE 45 6.874 -2.657 -8.230 219 HD13 ILE 45 HD13 ILE 45 5.730 -2.778 -9.565 220 H LYS 46 HN LYS 46 5.478 -1.668 -3.459 221 HA LYS 46 HA LYS 46 5.652 -3.781 -1.597 222 HB2 LYS 46 HB2 LYS 46 7.302 -1.885 -1.782 223 HB3 LYS 46 HB1 LYS 46 6.104 -0.815 -1.058 224 HG2 LYS 46 HG2 LYS 46 6.114 -2.350 0.975 225 HG3 LYS 46 HG1 LYS 46 7.486 -3.190 0.251 226 HD2 LYS 46 HD2 LYS 46 7.383 -0.265 1.079 227 HD3 LYS 46 HD1 LYS 46 8.245 -1.560 1.916 228 HE2 LYS 46 HE2 LYS 46 9.741 -1.827 -0.025 229 HE3 LYS 46 HE1 LYS 46 8.855 -0.573 -0.898 230 HZ1 LYS 46 HZ1 LYS 46 10.841 0.318 0.082 231 HZ2 LYS 46 HZ2 LYS 46 10.374 -0.204 1.621 232 HZ3 LYS 46 HZ3 LYS 46 9.488 1.001 0.830 233 H PHE 47 HN PHE 47 3.683 -0.827 -1.643 234 HA PHE 47 HA PHE 47 2.313 -1.101 0.796 235 HB2 PHE 47 HB2 PHE 47 2.255 1.002 -0.456 236 HB3 PHE 47 HB1 PHE 47 1.472 0.218 -1.822 237 HD1 PHE 47 HD2 PHE 47 0.741 0.202 1.849 238 HD2 PHE 47 HD1 PHE 47 -0.693 1.122 -2.056 239 HE1 PHE 47 HE2 PHE 47 -1.431 0.833 2.802 240 HE2 PHE 47 HE1 PHE 47 -2.873 1.737 -1.098 241 HZ PHE 47 HZ PHE 47 -3.245 1.600 1.321 242 H LEU 48 HN LEU 48 1.561 -2.251 -2.443 243 HA LEU 48 HA LEU 48 -1.006 -3.326 -1.826 244 HB2 LEU 48 HB2 LEU 48 0.784 -3.708 -4.252 245 HB3 LEU 48 HB1 LEU 48 -0.888 -4.249 -4.145 246 HG LEU 48 HG LEU 48 0.031 -1.341 -4.030 247 HD11 LEU 48 HD11 LEU 48 -1.041 -1.109 -6.246 248 HD12 LEU 48 HD12 LEU 48 -1.365 -2.845 -6.277 249 HD13 LEU 48 HD13 LEU 48 0.299 -2.256 -6.277 250 HD21 LEU 48 HD21 LEU 48 -2.380 -0.792 -4.161 251 HD22 LEU 48 HD22 LEU 48 -1.962 -1.644 -2.679 252 HD23 LEU 48 HD23 LEU 48 -2.776 -2.503 -3.994 253 H GLN 49 HN GLN 49 2.269 -4.699 -1.859 254 HA GLN 49 HA GLN 49 1.257 -7.421 -1.678 255 HB2 GLN 49 HB2 GLN 49 3.474 -8.240 -1.740 256 HB3 GLN 49 HB1 GLN 49 3.398 -6.925 -2.911 257 HG2 GLN 49 HG2 GLN 49 4.595 -5.440 -1.417 258 HG3 GLN 49 HG1 GLN 49 4.517 -6.622 -0.111 259 HE21 GLN 49 HE21 GLN 49 5.309 -7.341 -3.503 260 HE22 GLN 49 HE22 GLN 49 6.932 -7.838 -3.195 261 H GLU 50 HN GLU 50 2.524 -4.990 0.491 262 HA GLU 50 HA GLU 50 2.890 -6.642 2.787 263 HB2 GLU 50 HB2 GLU 50 3.949 -4.419 2.591 264 HB3 GLU 50 HB1 GLU 50 2.370 -3.639 2.565 265 HG2 GLU 50 HG2 GLU 50 1.964 -4.325 4.888 266 HG3 GLU 50 HG1 GLU 50 3.493 -5.203 4.917 267 H HIS 51 HN HIS 51 0.192 -4.797 1.511 268 HA HIS 51 HA HIS 51 -1.514 -5.410 3.822 269 HB2 HIS 51 HB2 HIS 51 -1.779 -3.424 1.536 270 HB3 HIS 51 HB1 HIS 51 -3.087 -3.748 2.678 271 HD1 HIS 51 HD1 HIS 51 0.343 -2.192 2.486 272 HD2 HIS 51 HD2 HIS 51 -2.756 -2.674 5.214 273 HE1 HIS 51 HE1 HIS 51 0.934 -0.733 4.444 274 HE2 HIS 51 HE2 HIS 51 -1.044 -0.909 5.993 275 H GLY 52 HN GLY 52 -1.619 -5.644 0.244 276 HA2 GLY 52 HA2 GLY 52 -4.012 -7.081 -0.015 277 HA3 GLY 52 HA1 GLY 52 -2.689 -7.074 -1.174 278 H SER 53 HN SER 53 -4.541 -9.236 -0.109 279 HA SER 53 HA SER 53 -2.717 -11.079 1.253 280 HB2 SER 53 HB2 SER 53 -5.121 -10.828 1.972 281 HB3 SER 53 HB1 SER 53 -5.624 -11.539 0.442 282 HG SER 53 HG SER 53 -4.853 -12.764 2.682 283 H ASP 54 HN ASP 54 -3.056 -13.484 0.440 284 HA ASP 54 HA ASP 54 -1.207 -13.847 -1.549 285 HB2 ASP 54 HB2 ASP 54 -3.347 -15.788 -0.572 286 HB3 ASP 54 HB1 ASP 54 -1.954 -16.260 -1.548 287 H SER 55 HN SER 55 -4.735 -14.094 -1.950 288 HA SER 55 HA SER 55 -4.734 -15.000 -4.641 289 HB2 SER 55 HB2 SER 55 -6.691 -15.355 -3.213 290 HB3 SER 55 HB1 SER 55 -6.920 -13.617 -3.027 291 HG SER 55 HG SER 55 -7.049 -15.005 -5.506 292 H PHE 56 HN PHE 56 -5.064 -11.749 -3.194 293 HA PHE 56 HA PHE 56 -5.418 -10.244 -5.566 294 HB2 PHE 56 HB2 PHE 56 -5.897 -9.264 -3.385 295 HB3 PHE 56 HB1 PHE 56 -4.240 -9.500 -2.846 296 HD1 PHE 56 HD1 PHE 56 -6.320 -7.583 -5.304 297 HD2 PHE 56 HD2 PHE 56 -2.632 -7.780 -3.162 298 HE1 PHE 56 HE1 PHE 56 -5.733 -5.331 -6.086 299 HE2 PHE 56 HE2 PHE 56 -2.053 -5.531 -3.950 300 HZ PHE 56 HZ PHE 56 -3.600 -4.305 -5.416 301 H LEU 57 HN LEU 57 -2.560 -11.381 -3.850 302 HA LEU 57 HA LEU 57 -0.657 -9.842 -5.328 303 HB2 LEU 57 HB2 LEU 57 -0.213 -12.259 -3.535 304 HB3 LEU 57 HB1 LEU 57 1.049 -11.199 -4.154 305 HG LEU 57 HG LEU 57 -1.070 -10.558 -2.095 306 HD11 LEU 57 HD11 LEU 57 0.818 -9.982 -0.670 307 HD12 LEU 57 HD12 LEU 57 1.941 -10.401 -1.967 308 HD13 LEU 57 HD13 LEU 57 0.922 -11.647 -1.243 309 HD21 LEU 57 HD21 LEU 57 0.717 -8.548 -3.485 310 HD22 LEU 57 HD22 LEU 57 -0.336 -8.236 -2.102 311 HD23 LEU 57 HD23 LEU 57 -1.037 -8.680 -3.647 312 H ALA 58 HN ALA 58 -1.890 -13.155 -5.597 313 HA ALA 58 HA ALA 58 -0.001 -14.002 -7.571 314 HB1 ALA 58 HB1 ALA 58 -1.180 -15.599 -6.128 315 HB2 ALA 58 HB2 ALA 58 -1.479 -15.949 -7.832 316 HB3 ALA 58 HB3 ALA 58 -2.720 -15.147 -6.865 317 H GLU 59 HN GLU 59 -3.427 -12.970 -7.743 318 HA GLU 59 HA GLU 59 -3.873 -13.119 -10.484 319 HB2 GLU 59 HB2 GLU 59 -5.022 -11.235 -8.391 320 HB3 GLU 59 HB1 GLU 59 -5.620 -11.287 -10.047 321 HG2 GLU 59 HG2 GLU 59 -5.624 -13.643 -8.132 322 HG3 GLU 59 HG1 GLU 59 -7.000 -12.583 -8.428 323 H HIS 60 HN HIS 60 -2.294 -10.540 -8.635 324 HA HIS 60 HA HIS 60 -1.911 -8.930 -11.099 325 HB2 HIS 60 HB2 HIS 60 -1.824 -8.097 -8.161 326 HB3 HIS 60 HB1 HIS 60 -1.511 -7.023 -9.524 327 HD1 HIS 60 HD1 HIS 60 -4.203 -8.281 -7.416 328 HD2 HIS 60 HD2 HIS 60 -3.882 -6.649 -11.221 329 HE1 HIS 60 HE1 HIS 60 -6.533 -7.570 -8.039 330 HE2 HIS 60 HE2 HIS 60 -6.344 -6.857 -10.448 331 H LYS 61 HN LYS 61 -0.250 -11.161 -9.347 332 HA LYS 61 HA LYS 61 1.905 -11.813 -9.095 333 HB2 LYS 61 HB2 LYS 61 2.237 -10.109 -11.594 334 HB3 LYS 61 HB1 LYS 61 3.477 -11.211 -10.990 335 HG2 LYS 61 HG2 LYS 61 1.899 -13.109 -11.278 336 HG3 LYS 61 HG1 LYS 61 0.688 -11.995 -11.917 337 HD2 LYS 61 HD2 LYS 61 1.824 -13.184 -13.741 338 HD3 LYS 61 HD1 LYS 61 2.176 -11.455 -13.816 339 HE2 LYS 61 HE2 LYS 61 4.393 -11.830 -12.847 340 HE3 LYS 61 HE1 LYS 61 4.032 -13.540 -12.602 341 HZ1 LYS 61 HZ1 LYS 61 4.253 -12.164 -15.217 342 HZ2 LYS 61 HZ2 LYS 61 3.872 -13.795 -14.998 343 HZ3 LYS 61 HZ3 LYS 61 5.391 -13.215 -14.541 344 H LEU 62 HN LEU 62 1.216 -9.635 -7.447 345 HA LEU 62 HA LEU 62 3.430 -7.720 -7.450 346 HB2 LEU 62 HB2 LEU 62 0.976 -7.908 -5.668 347 HB3 LEU 62 HB1 LEU 62 2.154 -6.599 -5.631 348 HG LEU 62 HG LEU 62 0.340 -7.289 -7.976 349 HD11 LEU 62 HD11 LEU 62 -0.811 -5.202 -7.484 350 HD12 LEU 62 HD12 LEU 62 0.221 -4.932 -6.079 351 HD13 LEU 62 HD13 LEU 62 -0.888 -6.306 -6.115 352 HD21 LEU 62 HD21 LEU 62 2.345 -5.017 -7.712 353 HD22 LEU 62 HD22 LEU 62 1.183 -5.220 -9.029 354 HD23 LEU 62 HD23 LEU 62 2.463 -6.407 -8.797 355 H LEU 63 HN LEU 63 2.897 -10.742 -6.158 356 HA LEU 63 HA LEU 63 4.103 -10.466 -3.571 357 HB2 LEU 63 HB2 LEU 63 4.205 -13.063 -3.755 358 HB3 LEU 63 HB1 LEU 63 2.645 -12.274 -3.684 359 HG LEU 63 HG LEU 63 2.501 -12.501 -6.222 360 HD11 LEU 63 HD11 LEU 63 3.832 -14.215 -7.349 361 HD12 LEU 63 HD12 LEU 63 4.847 -14.392 -5.915 362 HD13 LEU 63 HD13 LEU 63 4.828 -12.867 -6.804 363 HD21 LEU 63 HD21 LEU 63 1.776 -14.856 -6.140 364 HD22 LEU 63 HD22 LEU 63 1.210 -13.930 -4.755 365 HD23 LEU 63 HD23 LEU 63 2.568 -15.047 -4.571 366 H GLY 64 HN GLY 64 6.082 -11.555 -2.910 367 HA2 GLY 64 HA2 GLY 64 8.225 -12.366 -3.107 368 HA3 GLY 64 HA1 GLY 64 8.080 -12.322 -4.858 369 H ASN 65 HN ASN 65 10.082 -11.380 -5.239 370 HA ASN 65 HA ASN 65 11.110 -9.109 -3.837 371 HB2 ASN 65 HB2 ASN 65 11.929 -10.408 -6.459 372 HB3 ASN 65 HB1 ASN 65 12.750 -8.995 -5.813 373 HD21 ASN 65 HD21 ASN 65 11.539 -11.660 -3.783 374 HD22 ASN 65 HD22 ASN 65 13.096 -12.244 -3.340 375 H ILE 66 HN ILE 66 10.334 -7.177 -3.957 376 HA ILE 66 HA ILE 66 8.309 -6.189 -5.588 377 HB ILE 66 HB ILE 66 10.436 -4.510 -4.168 378 HG12 ILE 66 HG12 ILE 66 7.833 -5.532 -2.974 379 HG13 ILE 66 HG11 ILE 66 9.397 -6.282 -2.683 380 HG21 ILE 66 HG21 ILE 66 8.971 -3.201 -5.651 381 HG22 ILE 66 HG22 ILE 66 8.683 -2.798 -3.962 382 HG23 ILE 66 HG23 ILE 66 7.543 -3.832 -4.825 383 HD11 ILE 66 HD11 ILE 66 8.715 -4.842 -0.850 384 HD12 ILE 66 HD12 ILE 66 8.654 -3.458 -1.942 385 HD13 ILE 66 HD13 ILE 66 10.196 -4.258 -1.606 386 H LYS 67 HN LYS 67 11.827 -5.680 -5.806 387 HA LYS 67 HA LYS 67 11.916 -3.917 -7.989 388 HB2 LYS 67 HB2 LYS 67 14.309 -4.551 -8.163 389 HB3 LYS 67 HB1 LYS 67 13.832 -4.255 -6.494 390 HG2 LYS 67 HG2 LYS 67 13.662 -6.712 -6.119 391 HG3 LYS 67 HG1 LYS 67 14.194 -6.988 -7.781 392 HD2 LYS 67 HD2 LYS 67 16.354 -5.869 -7.257 393 HD3 LYS 67 HD1 LYS 67 15.815 -5.622 -5.591 394 HE2 LYS 67 HE2 LYS 67 15.709 -8.067 -5.256 395 HE3 LYS 67 HE1 LYS 67 16.190 -8.330 -6.934 396 HZ1 LYS 67 HZ1 LYS 67 17.831 -7.010 -4.846 397 HZ2 LYS 67 HZ2 LYS 67 18.293 -7.243 -6.456 398 HZ3 LYS 67 HZ3 LYS 67 18.054 -8.576 -5.442 399 H ASN 68 HN ASN 68 11.829 -7.461 -7.910 400 HA ASN 68 HA ASN 68 12.314 -7.890 -10.709 401 HB2 ASN 68 HB2 ASN 68 12.744 -9.632 -8.938 402 HB3 ASN 68 HB1 ASN 68 11.005 -9.777 -8.694 403 HD21 ASN 68 HD21 ASN 68 10.717 -11.851 -9.368 404 HD22 ASN 68 HD22 ASN 68 11.046 -12.411 -10.966 405 H VAL 69 HN VAL 69 9.431 -7.620 -8.667 406 HA VAL 69 HA VAL 69 7.474 -8.070 -10.676 407 HB VAL 69 HB VAL 69 7.221 -6.365 -8.149 408 HG11 VAL 69 HG11 VAL 69 4.780 -6.754 -8.352 409 HG12 VAL 69 HG12 VAL 69 5.039 -7.591 -9.883 410 HG13 VAL 69 HG13 VAL 69 5.413 -5.872 -9.746 411 HG21 VAL 69 HG21 VAL 69 6.242 -8.360 -7.083 412 HG22 VAL 69 HG22 VAL 69 7.896 -8.676 -7.609 413 HG23 VAL 69 HG23 VAL 69 6.539 -9.306 -8.545 414 H ALA 70 HN ALA 70 9.339 -5.268 -9.653 415 HA ALA 70 HA ALA 70 7.780 -3.230 -10.844 416 HB1 ALA 70 HB1 ALA 70 9.301 -2.856 -8.936 417 HB2 ALA 70 HB2 ALA 70 9.625 -1.739 -10.270 418 HB3 ALA 70 HB3 ALA 70 10.685 -3.125 -9.999 419 H LYS 71 HN LYS 71 10.007 -5.428 -12.315 420 HA LYS 71 HA LYS 71 10.452 -3.652 -14.617 421 HB2 LYS 71 HB2 LYS 71 12.031 -5.271 -15.437 422 HB3 LYS 71 HB1 LYS 71 12.367 -4.958 -13.741 423 HG2 LYS 71 HG2 LYS 71 11.289 -7.082 -13.130 424 HG3 LYS 71 HG1 LYS 71 10.920 -7.400 -14.824 425 HD2 LYS 71 HD2 LYS 71 13.699 -7.175 -13.603 426 HD3 LYS 71 HD1 LYS 71 12.897 -8.667 -14.094 427 HE2 LYS 71 HE2 LYS 71 12.914 -7.892 -16.450 428 HE3 LYS 71 HE1 LYS 71 13.707 -6.399 -15.949 429 HZ1 LYS 71 HZ1 LYS 71 15.284 -7.974 -16.834 430 HZ2 LYS 71 HZ2 LYS 71 14.826 -9.128 -15.685 431 HZ3 LYS 71 HZ3 LYS 71 15.593 -7.704 -15.190 432 H THR 72 HN THR 72 8.297 -6.191 -13.670 433 HA THR 72 HA THR 72 7.473 -6.690 -16.483 434 HB THR 72 HB THR 72 8.291 -8.733 -15.370 435 HG1 THR 72 HG1 THR 72 6.086 -8.522 -16.666 436 HG21 THR 72 HG21 THR 72 6.065 -8.313 -13.340 437 HG22 THR 72 HG22 THR 72 7.796 -8.193 -13.012 438 HG23 THR 72 HG23 THR 72 7.092 -9.745 -13.468 439 H ALA 73 HN ALA 73 6.501 -5.285 -13.550 440 HA ALA 73 HA ALA 73 3.645 -5.201 -14.303 441 HB1 ALA 73 HB1 ALA 73 3.166 -4.674 -11.944 442 HB2 ALA 73 HB2 ALA 73 4.885 -4.776 -11.556 443 HB3 ALA 73 HB3 ALA 73 4.010 -6.216 -12.082 444 H ASN 74 HN ASN 74 3.563 -3.451 -15.617 445 HA ASN 74 HA ASN 74 5.002 -1.031 -15.126 446 HB2 ASN 74 HB2 ASN 74 3.740 -0.080 -16.999 447 HB3 ASN 74 HB1 ASN 74 4.342 -1.679 -17.412 448 HD21 ASN 74 HD21 ASN 74 2.049 -0.012 -18.424 449 HD22 ASN 74 HD22 ASN 74 0.684 -1.065 -18.355 450 H LYS 75 HN LYS 75 3.874 1.082 -14.864 451 HA LYS 75 HA LYS 75 2.664 1.091 -12.312 452 HB2 LYS 75 HB2 LYS 75 4.165 2.843 -13.014 453 HB3 LYS 75 HB1 LYS 75 3.127 3.271 -14.366 454 HG2 LYS 75 HG2 LYS 75 1.454 4.194 -12.917 455 HG3 LYS 75 HG1 LYS 75 2.261 3.562 -11.475 456 HD2 LYS 75 HD2 LYS 75 3.505 5.612 -13.355 457 HD3 LYS 75 HD1 LYS 75 2.599 6.032 -11.904 458 HE2 LYS 75 HE2 LYS 75 4.232 4.752 -10.526 459 HE3 LYS 75 HE1 LYS 75 5.161 4.404 -11.986 460 HZ1 LYS 75 HZ1 LYS 75 6.069 6.257 -10.776 461 HZ2 LYS 75 HZ2 LYS 75 4.603 7.087 -10.878 462 HZ3 LYS 75 HZ3 LYS 75 5.493 6.768 -12.281 463 H ASP 76 HN ASP 76 1.336 1.400 -15.567 464 HA ASP 76 HA ASP 76 -1.258 2.333 -14.966 465 HB2 ASP 76 HB2 ASP 76 -0.196 2.276 -17.252 466 HB3 ASP 76 HB1 ASP 76 -0.405 0.531 -17.284 467 H HIS 77 HN HIS 77 0.145 -0.884 -14.967 468 HA HIS 77 HA HIS 77 -2.215 -2.421 -14.469 469 HB2 HIS 77 HB2 HIS 77 -0.412 -3.669 -15.364 470 HB3 HIS 77 HB1 HIS 77 0.767 -2.932 -14.288 471 HD1 HIS 77 HD1 HIS 77 -2.016 -5.504 -14.226 472 HD2 HIS 77 HD2 HIS 77 1.342 -4.366 -12.067 473 HE1 HIS 77 HE1 HIS 77 -1.690 -7.283 -12.491 474 HE2 HIS 77 HE2 HIS 77 0.501 -6.706 -11.413 475 H LEU 78 HN LEU 78 0.152 -0.766 -12.433 476 HA LEU 78 HA LEU 78 -0.626 -1.941 -9.938 477 HB2 LEU 78 HB2 LEU 78 0.816 0.687 -10.391 478 HB3 LEU 78 HB1 LEU 78 0.764 -0.232 -8.886 479 HG LEU 78 HG LEU 78 2.150 -1.047 -11.468 480 HD11 LEU 78 HD11 LEU 78 3.285 -0.345 -8.757 481 HD12 LEU 78 HD12 LEU 78 3.290 0.691 -10.189 482 HD13 LEU 78 HD13 LEU 78 4.193 -0.820 -10.199 483 HD21 LEU 78 HD21 LEU 78 2.977 -3.011 -10.264 484 HD22 LEU 78 HD22 LEU 78 1.221 -3.047 -10.386 485 HD23 LEU 78 HD23 LEU 78 1.990 -2.594 -8.859 486 H VAL 79 HN VAL 79 -1.603 0.935 -11.715 487 HA VAL 79 HA VAL 79 -3.229 2.170 -9.760 488 HB VAL 79 HB VAL 79 -3.559 2.193 -12.802 489 HG11 VAL 79 HG11 VAL 79 -4.836 4.290 -12.478 490 HG12 VAL 79 HG12 VAL 79 -4.705 4.100 -10.730 491 HG13 VAL 79 HG13 VAL 79 -5.623 2.927 -11.676 492 HG21 VAL 79 HG21 VAL 79 -2.081 4.170 -11.023 493 HG22 VAL 79 HG22 VAL 79 -2.306 4.325 -12.767 494 HG23 VAL 79 HG23 VAL 79 -1.329 3.009 -12.114 495 H THR 80 HN THR 80 -3.900 -0.232 -12.282 496 HA THR 80 HA THR 80 -6.629 -0.708 -11.796 497 HB THR 80 HB THR 80 -4.573 -2.721 -12.836 498 HG1 THR 80 HG1 THR 80 -4.448 -1.481 -14.522 499 HG21 THR 80 HG21 THR 80 -6.469 -3.712 -14.075 500 HG22 THR 80 HG22 THR 80 -7.576 -2.539 -13.359 501 HG23 THR 80 HG23 THR 80 -6.789 -3.747 -12.340 502 H ALA 81 HN ALA 81 -3.721 -2.265 -10.417 503 HA ALA 81 HA ALA 81 -5.054 -4.183 -8.811 504 HB1 ALA 81 HB1 ALA 81 -2.873 -4.438 -7.691 505 HB2 ALA 81 HB2 ALA 81 -2.294 -2.963 -8.472 506 HB3 ALA 81 HB3 ALA 81 -2.682 -4.384 -9.447 507 H TYR 82 HN TYR 82 -3.989 -0.874 -8.260 508 HA TYR 82 HA TYR 82 -4.188 -0.738 -5.447 509 HB2 TYR 82 HB2 TYR 82 -2.941 0.851 -6.954 510 HB3 TYR 82 HB1 TYR 82 -4.478 1.507 -7.502 511 HD1 TYR 82 HD2 TYR 82 -2.461 0.991 -4.377 512 HD2 TYR 82 HD1 TYR 82 -5.360 3.411 -6.372 513 HE1 TYR 82 HE2 TYR 82 -2.316 2.665 -2.602 514 HE2 TYR 82 HE1 TYR 82 -5.171 5.091 -4.592 515 HH TYR 82 HH TYR 82 -2.628 5.109 -2.406 516 H ASN 83 HN ASN 83 -6.405 0.464 -7.987 517 HA ASN 83 HA ASN 83 -8.421 1.403 -6.232 518 HB2 ASN 83 HB2 ASN 83 -8.365 0.824 -9.210 519 HB3 ASN 83 HB1 ASN 83 -9.873 1.273 -8.431 520 HD21 ASN 83 HD21 ASN 83 -6.650 2.395 -9.267 521 HD22 ASN 83 HD22 ASN 83 -6.969 4.073 -9.053 522 H HIS 84 HN HIS 84 -7.997 -1.678 -7.912 523 HA HIS 84 HA HIS 84 -10.535 -2.806 -7.228 524 HB2 HIS 84 HB2 HIS 84 -7.983 -4.057 -8.306 525 HB3 HIS 84 HB1 HIS 84 -9.428 -5.007 -7.972 526 HD1 HIS 84 HD1 HIS 84 -9.897 -5.624 -10.380 527 HD2 HIS 84 HD2 HIS 84 -9.654 -1.522 -9.799 528 HE1 HIS 84 HE1 HIS 84 -10.667 -4.599 -12.535 529 HE2 HIS 84 HE2 HIS 84 -10.633 -2.113 -12.119 530 H LEU 85 HN LEU 85 -7.474 -2.594 -5.527 531 HA LEU 85 HA LEU 85 -7.612 -4.753 -3.740 532 HB2 LEU 85 HB2 LEU 85 -5.653 -3.218 -3.962 533 HB3 LEU 85 HB1 LEU 85 -6.579 -1.924 -3.253 534 HG LEU 85 HG LEU 85 -6.699 -3.174 -1.107 535 HD11 LEU 85 HD11 LEU 85 -6.557 -5.449 -1.902 536 HD12 LEU 85 HD12 LEU 85 -5.285 -5.143 -0.724 537 HD13 LEU 85 HD13 LEU 85 -4.896 -5.197 -2.445 538 HD21 LEU 85 HD21 LEU 85 -4.931 -1.499 -1.435 539 HD22 LEU 85 HD22 LEU 85 -3.852 -2.754 -2.050 540 HD23 LEU 85 HD23 LEU 85 -4.404 -2.807 -0.375 541 H PHE 86 HN PHE 86 -8.715 -1.445 -3.345 542 HA PHE 86 HA PHE 86 -10.050 -1.802 -0.831 543 HB2 PHE 86 HB2 PHE 86 -10.411 0.527 -2.757 544 HB3 PHE 86 HB1 PHE 86 -10.580 0.550 -1.002 545 HD1 PHE 86 HD2 PHE 86 -8.343 0.067 0.379 546 HD2 PHE 86 HD1 PHE 86 -8.392 1.213 -3.728 547 HE1 PHE 86 HE2 PHE 86 -5.990 0.833 0.530 548 HE2 PHE 86 HE1 PHE 86 -6.078 1.987 -3.548 549 HZ PHE 86 HZ PHE 86 -4.875 1.787 -1.417 550 H GLU 87 HN GLU 87 -10.957 -1.920 -4.204 551 HA GLU 87 HA GLU 87 -13.761 -1.464 -4.028 552 HB2 GLU 87 HB2 GLU 87 -12.352 -1.142 -6.087 553 HB3 GLU 87 HB1 GLU 87 -12.169 -2.885 -6.214 554 HG2 GLU 87 HG2 GLU 87 -13.826 -2.184 -7.797 555 HG3 GLU 87 HG1 GLU 87 -14.632 -3.087 -6.519 556 H THR 88 HN THR 88 -11.818 -4.344 -3.562 557 HA THR 88 HA THR 88 -14.269 -5.993 -3.220 558 HB THR 88 HB THR 88 -12.793 -7.975 -3.956 559 HG1 THR 88 HG1 THR 88 -11.256 -5.966 -5.212 560 HG21 THR 88 HG21 THR 88 -14.547 -7.076 -5.465 561 HG22 THR 88 HG22 THR 88 -13.119 -7.590 -6.371 562 HG23 THR 88 HG23 THR 88 -13.400 -5.875 -6.066 563 H LYS 89 HN LYS 89 -11.868 -4.547 -1.581 564 HA LYS 89 HA LYS 89 -11.026 -4.680 0.519 565 HB2 LYS 89 HB2 LYS 89 -13.142 -6.825 0.969 566 HB3 LYS 89 HB1 LYS 89 -12.329 -5.898 2.226 567 HG2 LYS 89 HG2 LYS 89 -14.236 -4.776 0.142 568 HG3 LYS 89 HG1 LYS 89 -14.642 -5.139 1.819 569 HD2 LYS 89 HD2 LYS 89 -12.593 -3.073 0.924 570 HD3 LYS 89 HD1 LYS 89 -14.255 -2.716 1.399 571 HE2 LYS 89 HE2 LYS 89 -12.117 -3.931 3.185 572 HE3 LYS 89 HE1 LYS 89 -12.679 -2.264 3.238 573 HZ1 LYS 89 HZ1 LYS 89 -14.329 -4.658 3.831 574 HZ2 LYS 89 HZ2 LYS 89 -14.866 -3.059 3.884 575 HZ3 LYS 89 HZ3 LYS 89 -13.687 -3.588 4.971 576 H ARG 90 HN ARG 90 -9.793 -6.301 -1.508 577 HA ARG 90 HA ARG 90 -9.361 -9.018 -0.784 578 HB2 ARG 90 HB2 ARG 90 -8.156 -7.142 -2.810 579 HB3 ARG 90 HB1 ARG 90 -7.338 -8.671 -2.511 580 HG2 ARG 90 HG2 ARG 90 -9.389 -9.892 -3.103 581 HG3 ARG 90 HG1 ARG 90 -10.213 -8.361 -3.421 582 HD2 ARG 90 HD2 ARG 90 -8.753 -7.866 -5.271 583 HD3 ARG 90 HD1 ARG 90 -7.681 -9.205 -4.848 584 HE ARG 90 HE ARG 90 -9.341 -10.750 -5.587 585 HH11 ARG 90 HH11 ARG 90 -10.154 -7.435 -6.381 586 HH12 ARG 90 HH12 ARG 90 -11.238 -7.871 -7.654 587 HH21 ARG 90 HH21 ARG 90 -10.744 -11.310 -7.266 588 HH22 ARG 90 HH22 ARG 90 -11.567 -10.078 -8.159 589 H PHE 91 HN PHE 91 -7.934 -6.248 0.487 590 HA PHE 91 HA PHE 91 -5.365 -7.241 1.135 591 HB2 PHE 91 HB2 PHE 91 -5.410 -5.364 2.897 592 HB3 PHE 91 HB1 PHE 91 -5.524 -4.922 1.204 593 HD1 PHE 91 HD2 PHE 91 -7.484 -5.216 4.360 594 HD2 PHE 91 HD1 PHE 91 -7.423 -3.781 0.341 595 HE1 PHE 91 HE2 PHE 91 -9.453 -3.816 4.826 596 HE2 PHE 91 HE1 PHE 91 -9.391 -2.389 0.804 597 HZ PHE 91 HZ PHE 91 -10.404 -2.406 3.049 598 H LYS 92 HN LYS 92 -4.557 -8.229 2.848 599 HA LYS 92 HA LYS 92 -6.097 -10.089 4.286 600 HB2 LYS 92 HB2 LYS 92 -3.531 -10.063 3.490 601 HB3 LYS 92 HB1 LYS 92 -3.258 -9.403 5.092 602 HG2 LYS 92 HG2 LYS 92 -4.540 -12.089 4.465 603 HG3 LYS 92 HG1 LYS 92 -2.870 -11.833 4.981 604 HD2 LYS 92 HD2 LYS 92 -3.669 -10.954 7.149 605 HD3 LYS 92 HD1 LYS 92 -5.343 -11.180 6.634 606 HE2 LYS 92 HE2 LYS 92 -4.653 -13.012 8.099 607 HE3 LYS 92 HE1 LYS 92 -4.945 -13.625 6.470 608 HZ1 LYS 92 HZ1 LYS 92 -2.925 -14.545 7.407 609 HZ2 LYS 92 HZ2 LYS 92 -2.281 -12.999 7.636 610 HZ3 LYS 92 HZ3 LYS 92 -2.558 -13.577 6.075 Start of MODEL 3 1 H MET 20 H MET 20 -2.778 -9.267 14.731 2 HA MET 20 HA MET 20 -2.426 -6.340 14.880 3 HB2 MET 20 HB2 MET 20 -2.453 -6.387 12.387 4 HB3 MET 20 HB1 MET 20 -1.068 -7.235 13.056 5 HG2 MET 20 HG2 MET 20 -2.076 -9.381 12.584 6 HG3 MET 20 HG1 MET 20 -3.579 -8.608 12.073 7 HE1 MET 20 HE1 MET 20 -3.458 -10.110 9.856 8 HE2 MET 20 HE2 MET 20 -1.887 -10.794 10.282 9 HE3 MET 20 HE3 MET 20 -2.127 -10.048 8.702 10 H ALA 21 HN ALA 21 -4.145 -5.190 13.736 11 HA ALA 21 HA ALA 21 -6.675 -6.377 13.127 12 HB1 ALA 21 HB1 ALA 21 -6.845 -6.495 15.596 13 HB2 ALA 21 HB2 ALA 21 -7.991 -5.318 14.946 14 HB3 ALA 21 HB3 ALA 21 -6.494 -4.771 15.708 15 H ALA 22 HN ALA 22 -7.971 -4.895 12.008 16 HA ALA 22 HA ALA 22 -8.396 -3.192 10.579 17 HB1 ALA 22 HB1 ALA 22 -8.199 -0.884 11.442 18 HB2 ALA 22 HB2 ALA 22 -7.171 -1.459 12.761 19 HB3 ALA 22 HB3 ALA 22 -8.859 -1.964 12.669 20 H ALA 23 HN ALA 23 -6.091 -4.643 10.083 21 HA ALA 23 HA ALA 23 -3.862 -2.870 9.438 22 HB1 ALA 23 HB1 ALA 23 -3.408 -5.074 10.451 23 HB2 ALA 23 HB2 ALA 23 -2.683 -4.964 8.846 24 HB3 ALA 23 HB3 ALA 23 -4.178 -5.873 9.080 25 H VAL 24 HN VAL 24 -6.170 -2.230 8.038 26 HA VAL 24 HA VAL 24 -6.009 -3.260 5.316 27 HB VAL 24 HB VAL 24 -8.004 -1.937 4.864 28 HG11 VAL 24 HG11 VAL 24 -9.604 -2.869 6.502 29 HG12 VAL 24 HG12 VAL 24 -8.273 -3.245 7.599 30 HG13 VAL 24 HG13 VAL 24 -8.386 -4.063 6.039 31 HG21 VAL 24 HG21 VAL 24 -7.446 0.152 6.057 32 HG22 VAL 24 HG22 VAL 24 -7.675 -0.646 7.616 33 HG23 VAL 24 HG23 VAL 24 -9.048 -0.414 6.530 34 HA PRO 25 HA PRO 25 -3.537 0.279 3.973 35 HB2 PRO 25 HB2 PRO 25 -3.993 0.289 1.311 36 HB3 PRO 25 HB1 PRO 25 -3.083 -1.009 2.091 37 HG2 PRO 25 HG2 PRO 25 -5.946 -0.995 1.173 38 HG3 PRO 25 HG1 PRO 25 -4.739 -2.293 1.060 39 HD2 PRO 25 HD2 PRO 25 -6.704 -2.130 3.025 40 HD3 PRO 25 HD1 PRO 25 -5.194 -3.051 3.188 41 H GLN 26 HN GLN 26 -4.353 2.167 4.777 42 HA GLN 26 HA GLN 26 -6.566 3.541 3.443 43 HB2 GLN 26 HB2 GLN 26 -5.920 5.482 4.923 44 HB3 GLN 26 HB1 GLN 26 -6.382 4.032 5.804 45 HG2 GLN 26 HG2 GLN 26 -4.018 3.541 6.268 46 HG3 GLN 26 HG1 GLN 26 -3.523 4.949 5.331 47 HE21 GLN 26 HE21 GLN 26 -2.458 5.840 7.137 48 HE22 GLN 26 HE22 GLN 26 -3.326 6.555 8.453 49 H ARG 27 HN ARG 27 -6.226 4.642 1.583 50 HA ARG 27 HA ARG 27 -3.850 4.216 0.202 51 HB2 ARG 27 HB2 ARG 27 -4.706 5.460 -1.668 52 HB3 ARG 27 HB1 ARG 27 -6.024 4.540 -0.965 53 HG2 ARG 27 HG2 ARG 27 -5.599 7.486 -0.382 54 HG3 ARG 27 HG1 ARG 27 -6.544 6.906 -1.753 55 HD2 ARG 27 HD2 ARG 27 -7.109 6.249 1.155 56 HD3 ARG 27 HD1 ARG 27 -7.931 7.482 0.202 57 HE ARG 27 HE ARG 27 -8.265 5.296 -1.323 58 HH11 ARG 27 HH11 ARG 27 -8.974 5.849 2.067 59 HH12 ARG 27 HH12 ARG 27 -10.212 4.640 2.113 60 HH21 ARG 27 HH21 ARG 27 -9.874 3.757 -1.263 61 HH22 ARG 27 HH22 ARG 27 -10.742 3.453 0.210 62 H ALA 28 HN ALA 28 -2.058 5.232 0.038 63 HA ALA 28 HA ALA 28 -1.444 7.601 1.606 64 HB1 ALA 28 HB1 ALA 28 0.368 5.782 -0.030 65 HB2 ALA 28 HB2 ALA 28 0.051 5.638 1.700 66 HB3 ALA 28 HB3 ALA 28 0.904 7.051 1.078 67 H TRP 29 HN TRP 29 -2.154 6.755 -1.653 68 HA TRP 29 HA TRP 29 -1.514 9.443 -2.684 69 HB2 TRP 29 HB2 TRP 29 -0.821 6.899 -4.230 70 HB3 TRP 29 HB1 TRP 29 -0.408 8.555 -4.666 71 HD1 TRP 29 HD1 TRP 29 1.460 9.764 -2.859 72 HE1 TRP 29 HE1 TRP 29 3.512 8.663 -1.752 73 HE3 TRP 29 HE3 TRP 29 0.154 4.840 -3.386 74 HZ2 TRP 29 HZ2 TRP 29 4.452 6.073 -1.178 75 HZ3 TRP 29 HZ3 TRP 29 1.687 3.115 -2.530 76 HH2 TRP 29 HH2 TRP 29 3.795 3.719 -1.448 77 H THR 30 HN THR 30 -2.984 10.138 -4.287 78 HA THR 30 HA THR 30 -5.337 8.527 -4.880 79 HB THR 30 HB THR 30 -5.973 10.516 -6.339 80 HG1 THR 30 HG1 THR 30 -4.329 12.342 -5.372 81 HG21 THR 30 HG21 THR 30 -6.435 12.077 -4.480 82 HG22 THR 30 HG22 THR 30 -5.307 11.199 -3.447 83 HG23 THR 30 HG23 THR 30 -6.787 10.417 -4.008 84 H VAL 31 HN VAL 31 -6.002 8.578 -7.336 85 HA VAL 31 HA VAL 31 -4.413 6.824 -8.772 86 HB VAL 31 HB VAL 31 -6.636 8.681 -9.695 87 HG11 VAL 31 HG11 VAL 31 -6.821 7.386 -11.799 88 HG12 VAL 31 HG12 VAL 31 -5.338 6.524 -11.391 89 HG13 VAL 31 HG13 VAL 31 -5.287 8.257 -11.699 90 HG21 VAL 31 HG21 VAL 31 -7.306 6.918 -8.131 91 HG22 VAL 31 HG22 VAL 31 -6.595 5.688 -9.179 92 HG23 VAL 31 HG23 VAL 31 -7.993 6.617 -9.727 93 H GLU 32 HN GLU 32 -4.598 10.384 -9.143 94 HA GLU 32 HA GLU 32 -2.755 10.603 -11.288 95 HB2 GLU 32 HB2 GLU 32 -2.703 13.022 -10.779 96 HB3 GLU 32 HB1 GLU 32 -4.349 12.401 -10.788 97 HG2 GLU 32 HG2 GLU 32 -4.399 12.392 -8.341 98 HG3 GLU 32 HG1 GLU 32 -2.721 12.924 -8.286 99 H GLN 33 HN GLN 33 -2.315 10.815 -7.748 100 HA GLN 33 HA GLN 33 0.425 11.548 -7.749 101 HB2 GLN 33 HB2 GLN 33 -1.193 10.106 -5.612 102 HB3 GLN 33 HB1 GLN 33 0.414 10.775 -5.359 103 HG2 GLN 33 HG2 GLN 33 -2.029 12.416 -6.100 104 HG3 GLN 33 HG1 GLN 33 -1.451 12.170 -4.457 105 HE21 GLN 33 HE21 GLN 33 -1.095 14.350 -4.071 106 HE22 GLN 33 HE22 GLN 33 0.164 15.256 -4.836 107 H LEU 34 HN LEU 34 -1.203 8.454 -8.009 108 HA LEU 34 HA LEU 34 1.080 6.745 -7.741 109 HB2 LEU 34 HB2 LEU 34 -1.534 6.332 -9.242 110 HB3 LEU 34 HB1 LEU 34 -0.345 5.072 -8.940 111 HG LEU 34 HG LEU 34 -1.846 6.547 -6.745 112 HD11 LEU 34 HD11 LEU 34 -2.434 3.824 -7.933 113 HD12 LEU 34 HD12 LEU 34 -3.416 5.280 -8.117 114 HD13 LEU 34 HD13 LEU 34 -3.228 4.546 -6.527 115 HD21 LEU 34 HD21 LEU 34 -0.145 4.032 -6.620 116 HD22 LEU 34 HD22 LEU 34 -1.059 4.732 -5.281 117 HD23 LEU 34 HD23 LEU 34 0.292 5.619 -5.979 118 H ARG 35 HN ARG 35 -0.699 8.088 -10.550 119 HA ARG 35 HA ARG 35 0.875 6.857 -12.558 120 HB2 ARG 35 HB2 ARG 35 -0.980 9.258 -12.769 121 HB3 ARG 35 HB1 ARG 35 -0.281 8.416 -14.152 122 HG2 ARG 35 HG2 ARG 35 -1.484 6.345 -13.441 123 HG3 ARG 35 HG1 ARG 35 -2.227 7.260 -12.131 124 HD2 ARG 35 HD2 ARG 35 -3.812 7.119 -13.940 125 HD3 ARG 35 HD1 ARG 35 -3.240 8.790 -13.848 126 HE ARG 35 HE ARG 35 -1.683 7.269 -15.688 127 HH11 ARG 35 HH11 ARG 35 -4.817 8.858 -15.456 128 HH12 ARG 35 HH12 ARG 35 -4.947 9.081 -17.171 129 HH21 ARG 35 HH21 ARG 35 -1.888 7.573 -17.910 130 HH22 ARG 35 HH22 ARG 35 -3.298 8.355 -18.553 131 H SER 36 HN SER 36 1.420 9.679 -10.681 132 HA SER 36 HA SER 36 3.282 11.078 -12.232 133 HB2 SER 36 HB2 SER 36 2.438 11.932 -10.078 134 HB3 SER 36 HB1 SER 36 3.249 10.623 -9.217 135 HG SER 36 HG SER 36 4.227 12.993 -9.951 136 H GLU 37 HN GLU 37 5.050 10.314 -13.153 137 HA GLU 37 HA GLU 37 6.287 7.823 -12.664 138 HB2 GLU 37 HB2 GLU 37 7.994 8.627 -14.301 139 HB3 GLU 37 HB1 GLU 37 6.340 8.850 -14.864 140 HG2 GLU 37 HG2 GLU 37 6.471 11.251 -14.148 141 HG3 GLU 37 HG1 GLU 37 8.162 10.999 -13.731 142 H GLN 38 HN GLN 38 6.681 10.867 -11.156 143 HA GLN 38 HA GLN 38 9.302 10.602 -10.077 144 HB2 GLN 38 HB2 GLN 38 6.912 12.141 -8.977 145 HB3 GLN 38 HB1 GLN 38 8.599 12.398 -8.538 146 HG2 GLN 38 HG2 GLN 38 7.351 12.908 -11.257 147 HG3 GLN 38 HG1 GLN 38 7.800 14.133 -10.072 148 HE21 GLN 38 HE21 GLN 38 10.041 14.506 -9.680 149 HE22 GLN 38 HE22 GLN 38 11.231 14.084 -10.859 150 H LEU 39 HN LEU 39 6.160 9.322 -9.187 151 HA LEU 39 HA LEU 39 7.130 8.103 -6.716 152 HB2 LEU 39 HB2 LEU 39 4.727 8.922 -7.019 153 HB3 LEU 39 HB1 LEU 39 4.492 7.603 -8.152 154 HG LEU 39 HG LEU 39 5.061 5.976 -6.285 155 HD11 LEU 39 HD11 LEU 39 6.348 7.497 -4.849 156 HD12 LEU 39 HD12 LEU 39 5.017 6.763 -3.964 157 HD13 LEU 39 HD13 LEU 39 4.891 8.437 -4.508 158 HD21 LEU 39 HD21 LEU 39 2.882 6.146 -5.148 159 HD22 LEU 39 HD22 LEU 39 2.724 6.398 -6.885 160 HD23 LEU 39 HD23 LEU 39 2.665 7.779 -5.786 161 HA PRO 40 HA PRO 40 8.768 4.659 -9.244 162 HB2 PRO 40 HB2 PRO 40 9.171 3.406 -6.543 163 HB3 PRO 40 HB1 PRO 40 10.337 3.655 -7.853 164 HG2 PRO 40 HG2 PRO 40 10.425 5.184 -5.664 165 HG3 PRO 40 HG1 PRO 40 10.709 5.893 -7.271 166 HD2 PRO 40 HD2 PRO 40 8.196 5.960 -5.589 167 HD3 PRO 40 HD1 PRO 40 8.980 7.281 -6.490 168 H LYS 41 HN LYS 41 7.888 2.818 -10.000 169 HA LYS 41 HA LYS 41 5.284 1.952 -9.372 170 HB2 LYS 41 HB2 LYS 41 7.550 0.538 -10.846 171 HB3 LYS 41 HB1 LYS 41 5.900 -0.074 -10.780 172 HG2 LYS 41 HG2 LYS 41 5.084 1.975 -11.908 173 HG3 LYS 41 HG1 LYS 41 6.745 2.578 -11.999 174 HD2 LYS 41 HD2 LYS 41 5.710 0.028 -13.309 175 HD3 LYS 41 HD1 LYS 41 5.973 1.568 -14.135 176 HE2 LYS 41 HE2 LYS 41 8.376 1.438 -13.666 177 HE3 LYS 41 HE1 LYS 41 8.145 -0.053 -12.753 178 HZ1 LYS 41 HZ1 LYS 41 7.565 0.292 -15.632 179 HZ2 LYS 41 HZ2 LYS 41 7.407 -1.140 -14.752 180 HZ3 LYS 41 HZ3 LYS 41 8.933 -0.459 -14.990 181 H LYS 42 HN LYS 42 8.458 0.841 -8.272 182 HA LYS 42 HA LYS 42 7.642 -1.493 -6.900 183 HB2 LYS 42 HB2 LYS 42 9.850 -1.368 -5.776 184 HB3 LYS 42 HB1 LYS 42 9.974 -1.152 -7.519 185 HG2 LYS 42 HG2 LYS 42 10.178 1.295 -7.196 186 HG3 LYS 42 HG1 LYS 42 10.082 1.063 -5.446 187 HD2 LYS 42 HD2 LYS 42 12.163 -0.256 -5.494 188 HD3 LYS 42 HD1 LYS 42 12.248 -0.083 -7.250 189 HE2 LYS 42 HE2 LYS 42 12.484 2.369 -6.996 190 HE3 LYS 42 HE1 LYS 42 12.395 2.196 -5.241 191 HZ1 LYS 42 HZ1 LYS 42 14.489 1.055 -7.000 192 HZ2 LYS 42 HZ2 LYS 42 14.408 0.880 -5.321 193 HZ3 LYS 42 HZ3 LYS 42 14.664 2.406 -5.997 194 H ASP 43 HN ASP 43 7.722 1.911 -5.937 195 HA ASP 43 HA ASP 43 7.430 1.467 -3.131 196 HB2 ASP 43 HB2 ASP 43 8.328 3.574 -4.184 197 HB3 ASP 43 HB1 ASP 43 6.689 3.969 -4.694 198 H ILE 44 HN ILE 44 5.197 1.790 -5.811 199 HA ILE 44 HA ILE 44 2.777 1.924 -4.268 200 HB ILE 44 HB ILE 44 3.163 1.069 -7.175 201 HG12 ILE 44 HG12 ILE 44 2.517 3.819 -6.003 202 HG13 ILE 44 HG11 ILE 44 4.045 3.353 -6.743 203 HG21 ILE 44 HG21 ILE 44 0.775 1.641 -7.486 204 HG22 ILE 44 HG22 ILE 44 0.631 2.013 -5.766 205 HG23 ILE 44 HG23 ILE 44 0.964 0.361 -6.286 206 HD11 ILE 44 HD11 ILE 44 2.863 3.037 -8.886 207 HD12 ILE 44 HD12 ILE 44 2.767 4.683 -8.264 208 HD13 ILE 44 HD13 ILE 44 1.377 3.608 -8.119 209 H ILE 45 HN ILE 45 4.476 -0.694 -6.020 210 HA ILE 45 HA ILE 45 2.757 -2.845 -5.408 211 HB ILE 45 HB ILE 45 5.774 -2.857 -5.879 212 HG12 ILE 45 HG12 ILE 45 3.572 -3.488 -7.895 213 HG13 ILE 45 HG11 ILE 45 4.272 -1.885 -7.719 214 HG21 ILE 45 HG21 ILE 45 5.555 -5.250 -6.496 215 HG22 ILE 45 HG22 ILE 45 3.849 -5.219 -6.049 216 HG23 ILE 45 HG23 ILE 45 5.086 -4.983 -4.815 217 HD11 ILE 45 HD11 ILE 45 6.464 -2.786 -8.320 218 HD12 ILE 45 HD12 ILE 45 5.252 -3.054 -9.571 219 HD13 ILE 45 HD13 ILE 45 5.740 -4.383 -8.523 220 H LYS 46 HN LYS 46 5.414 -1.380 -3.617 221 HA LYS 46 HA LYS 46 5.760 -3.203 -1.510 222 HB2 LYS 46 HB2 LYS 46 7.300 -1.338 -2.071 223 HB3 LYS 46 HB1 LYS 46 6.086 -0.170 -1.563 224 HG2 LYS 46 HG2 LYS 46 6.272 -0.987 0.758 225 HG3 LYS 46 HG1 LYS 46 7.472 -2.180 0.246 226 HD2 LYS 46 HD2 LYS 46 8.967 -0.326 -0.496 227 HD3 LYS 46 HD1 LYS 46 7.778 0.848 0.076 228 HE2 LYS 46 HE2 LYS 46 8.063 -0.009 2.381 229 HE3 LYS 46 HE1 LYS 46 9.251 -1.176 1.801 230 HZ1 LYS 46 HZ1 LYS 46 9.515 1.776 1.668 231 HZ2 LYS 46 HZ2 LYS 46 10.658 0.660 1.120 232 HZ3 LYS 46 HZ3 LYS 46 10.301 0.761 2.768 233 H PHE 47 HN PHE 47 3.642 -0.428 -1.893 234 HA PHE 47 HA PHE 47 2.286 -0.475 0.603 235 HB2 PHE 47 HB2 PHE 47 2.304 1.558 -0.679 236 HB3 PHE 47 HB1 PHE 47 1.737 0.745 -2.127 237 HD1 PHE 47 HD2 PHE 47 0.476 1.135 1.395 238 HD2 PHE 47 HD1 PHE 47 -0.400 1.440 -2.767 239 HE1 PHE 47 HE2 PHE 47 -1.804 1.892 1.933 240 HE2 PHE 47 HE1 PHE 47 -2.681 2.188 -2.232 241 HZ PHE 47 HZ PHE 47 -3.384 2.415 0.117 242 H LEU 48 HN LEU 48 1.511 -1.798 -2.583 243 HA LEU 48 HA LEU 48 -1.114 -2.693 -1.970 244 HB2 LEU 48 HB2 LEU 48 0.737 -3.373 -4.287 245 HB3 LEU 48 HB1 LEU 48 -0.948 -3.860 -4.199 246 HG LEU 48 HG LEU 48 0.073 -0.995 -4.353 247 HD11 LEU 48 HD11 LEU 48 -1.002 -0.966 -6.584 248 HD12 LEU 48 HD12 LEU 48 -1.413 -2.676 -6.409 249 HD13 LEU 48 HD13 LEU 48 0.277 -2.175 -6.488 250 HD21 LEU 48 HD21 LEU 48 -2.283 -0.310 -4.533 251 HD22 LEU 48 HD22 LEU 48 -1.947 -1.066 -2.980 252 HD23 LEU 48 HD23 LEU 48 -2.802 -1.972 -4.231 253 H GLN 49 HN GLN 49 2.040 -4.309 -1.933 254 HA GLN 49 HA GLN 49 0.907 -6.960 -1.707 255 HB2 GLN 49 HB2 GLN 49 3.137 -7.835 -1.686 256 HB3 GLN 49 HB1 GLN 49 3.099 -6.555 -2.892 257 HG2 GLN 49 HG2 GLN 49 4.321 -5.058 -1.466 258 HG3 GLN 49 HG1 GLN 49 4.143 -6.134 -0.082 259 HE21 GLN 49 HE21 GLN 49 5.044 -7.202 -3.352 260 HE22 GLN 49 HE22 GLN 49 6.650 -7.677 -2.935 261 H GLU 50 HN GLU 50 2.176 -4.514 0.452 262 HA GLU 50 HA GLU 50 2.772 -6.056 2.725 263 HB2 GLU 50 HB2 GLU 50 3.495 -3.711 2.492 264 HB3 GLU 50 HB1 GLU 50 1.821 -3.163 2.531 265 HG2 GLU 50 HG2 GLU 50 1.618 -3.954 4.871 266 HG3 GLU 50 HG1 GLU 50 3.293 -4.502 4.830 267 H HIS 51 HN HIS 51 -0.260 -4.709 1.566 268 HA HIS 51 HA HIS 51 -1.722 -5.699 3.949 269 HB2 HIS 51 HB2 HIS 51 -2.562 -3.666 1.840 270 HB3 HIS 51 HB1 HIS 51 -3.513 -4.139 3.247 271 HD1 HIS 51 HD1 HIS 51 -2.855 -3.132 5.516 272 HD2 HIS 51 HD2 HIS 51 -0.363 -1.964 2.407 273 HE1 HIS 51 HE1 HIS 51 -1.477 -1.251 6.426 274 HE2 HIS 51 HE2 HIS 51 0.151 -0.709 4.604 275 H GLY 52 HN GLY 52 -1.638 -5.794 0.414 276 HA2 GLY 52 HA2 GLY 52 -4.010 -7.136 -0.160 277 HA3 GLY 52 HA1 GLY 52 -2.569 -7.139 -1.157 278 H SER 53 HN SER 53 -4.680 -9.152 0.113 279 HA SER 53 HA SER 53 -3.186 -11.186 1.411 280 HB2 SER 53 HB2 SER 53 -5.655 -10.880 1.661 281 HB3 SER 53 HB1 SER 53 -5.880 -11.387 -0.014 282 HG SER 53 HG SER 53 -6.187 -13.090 1.522 283 H ASP 54 HN ASP 54 -3.198 -13.501 0.464 284 HA ASP 54 HA ASP 54 -1.214 -13.582 -1.495 285 HB2 ASP 54 HB2 ASP 54 -2.995 -15.843 -0.498 286 HB3 ASP 54 HB1 ASP 54 -1.528 -16.070 -1.451 287 H SER 55 HN SER 55 -4.675 -13.834 -1.847 288 HA SER 55 HA SER 55 -4.845 -14.800 -4.497 289 HB2 SER 55 HB2 SER 55 -7.137 -13.646 -4.420 290 HB3 SER 55 HB1 SER 55 -6.822 -14.807 -3.130 291 HG SER 55 HG SER 55 -6.835 -13.261 -1.708 292 H PHE 56 HN PHE 56 -4.855 -11.471 -3.207 293 HA PHE 56 HA PHE 56 -4.929 -10.027 -5.633 294 HB2 PHE 56 HB2 PHE 56 -5.428 -9.048 -3.412 295 HB3 PHE 56 HB1 PHE 56 -3.754 -9.263 -2.919 296 HD1 PHE 56 HD1 PHE 56 -5.672 -7.653 -5.735 297 HD2 PHE 56 HD2 PHE 56 -2.435 -7.322 -2.967 298 HE1 PHE 56 HE1 PHE 56 -5.195 -5.387 -6.558 299 HE2 PHE 56 HE2 PHE 56 -1.969 -5.060 -3.795 300 HZ PHE 56 HZ PHE 56 -3.346 -4.087 -5.585 301 H LEU 57 HN LEU 57 -2.288 -11.298 -3.711 302 HA LEU 57 HA LEU 57 -0.089 -10.213 -5.123 303 HB2 LEU 57 HB2 LEU 57 -0.262 -12.759 -3.475 304 HB3 LEU 57 HB1 LEU 57 1.227 -11.965 -3.969 305 HG LEU 57 HG LEU 57 -0.846 -10.840 -2.047 306 HD11 LEU 57 HD11 LEU 57 0.477 -12.640 -1.051 307 HD12 LEU 57 HD12 LEU 57 0.882 -11.085 -0.328 308 HD13 LEU 57 HD13 LEU 57 1.973 -11.817 -1.508 309 HD21 LEU 57 HD21 LEU 57 0.146 -9.024 -3.349 310 HD22 LEU 57 HD22 LEU 57 1.768 -9.597 -2.955 311 HD23 LEU 57 HD23 LEU 57 0.714 -8.976 -1.683 312 H ALA 58 HN ALA 58 -1.863 -13.280 -5.418 313 HA ALA 58 HA ALA 58 -0.258 -14.454 -7.441 314 HB1 ALA 58 HB1 ALA 58 -3.122 -15.074 -6.670 315 HB2 ALA 58 HB2 ALA 58 -1.679 -15.776 -5.938 316 HB3 ALA 58 HB3 ALA 58 -2.061 -16.110 -7.629 317 H GLU 59 HN GLU 59 -2.949 -12.213 -7.558 318 HA GLU 59 HA GLU 59 -3.911 -12.691 -10.133 319 HB2 GLU 59 HB2 GLU 59 -4.318 -10.709 -8.011 320 HB3 GLU 59 HB1 GLU 59 -4.367 -9.926 -9.578 321 HG2 GLU 59 HG2 GLU 59 -6.584 -10.643 -8.707 322 HG3 GLU 59 HG1 GLU 59 -6.202 -11.263 -10.305 323 H HIS 60 HN HIS 60 -1.465 -10.254 -9.105 324 HA HIS 60 HA HIS 60 -0.634 -10.029 -11.955 325 HB2 HIS 60 HB2 HIS 60 -1.756 -7.964 -11.006 326 HB3 HIS 60 HB1 HIS 60 -0.409 -7.808 -9.880 327 HD1 HIS 60 HD1 HIS 60 1.351 -6.246 -10.701 328 HD2 HIS 60 HD2 HIS 60 -0.654 -8.071 -13.845 329 HE1 HIS 60 HE1 HIS 60 2.361 -5.298 -12.790 330 HE2 HIS 60 HE2 HIS 60 1.254 -6.540 -14.664 331 H LYS 61 HN LYS 61 0.368 -11.718 -9.564 332 HA LYS 61 HA LYS 61 2.252 -12.382 -8.514 333 HB2 LYS 61 HB2 LYS 61 3.463 -11.436 -11.135 334 HB3 LYS 61 HB1 LYS 61 4.428 -12.221 -9.888 335 HG2 LYS 61 HG2 LYS 61 2.928 -14.223 -10.059 336 HG3 LYS 61 HG1 LYS 61 2.084 -13.430 -11.394 337 HD2 LYS 61 HD2 LYS 61 3.778 -15.059 -12.207 338 HD3 LYS 61 HD1 LYS 61 4.142 -13.414 -12.730 339 HE2 LYS 61 HE2 LYS 61 5.804 -13.213 -10.882 340 HE3 LYS 61 HE1 LYS 61 5.454 -14.875 -10.405 341 HZ1 LYS 61 HZ1 LYS 61 7.453 -14.717 -11.727 342 HZ2 LYS 61 HZ2 LYS 61 6.600 -14.020 -13.007 343 HZ3 LYS 61 HZ3 LYS 61 6.279 -15.614 -12.549 344 H LEU 62 HN LEU 62 1.377 -10.126 -7.461 345 HA LEU 62 HA LEU 62 3.438 -8.125 -7.137 346 HB2 LEU 62 HB2 LEU 62 0.860 -8.573 -5.580 347 HB3 LEU 62 HB1 LEU 62 1.899 -7.160 -5.434 348 HG LEU 62 HG LEU 62 0.392 -7.967 -7.962 349 HD11 LEU 62 HD11 LEU 62 -1.050 -6.042 -7.546 350 HD12 LEU 62 HD12 LEU 62 -0.209 -5.714 -6.028 351 HD13 LEU 62 HD13 LEU 62 -1.144 -7.200 -6.221 352 HD21 LEU 62 HD21 LEU 62 2.463 -6.777 -8.515 353 HD22 LEU 62 HD22 LEU 62 2.039 -5.468 -7.410 354 HD23 LEU 62 HD23 LEU 62 1.063 -5.764 -8.853 355 H LEU 63 HN LEU 63 2.971 -11.215 -5.927 356 HA LEU 63 HA LEU 63 4.250 -10.939 -3.366 357 HB2 LEU 63 HB2 LEU 63 4.448 -13.541 -3.625 358 HB3 LEU 63 HB1 LEU 63 2.871 -12.815 -3.418 359 HG LEU 63 HG LEU 63 2.576 -12.978 -5.967 360 HD11 LEU 63 HD11 LEU 63 3.891 -14.656 -7.175 361 HD12 LEU 63 HD12 LEU 63 4.968 -14.825 -5.785 362 HD13 LEU 63 HD13 LEU 63 4.881 -13.293 -6.659 363 HD21 LEU 63 HD21 LEU 63 1.874 -15.340 -5.877 364 HD22 LEU 63 HD22 LEU 63 1.398 -14.462 -4.424 365 HD23 LEU 63 HD23 LEU 63 2.782 -15.561 -4.377 366 H GLY 64 HN GLY 64 6.304 -11.950 -2.824 367 HA2 GLY 64 HA2 GLY 64 8.516 -12.561 -3.177 368 HA3 GLY 64 HA1 GLY 64 8.309 -12.346 -4.905 369 H ASN 65 HN ASN 65 10.407 -11.299 -4.848 370 HA ASN 65 HA ASN 65 10.989 -8.951 -3.393 371 HB2 ASN 65 HB2 ASN 65 12.172 -9.976 -6.001 372 HB3 ASN 65 HB1 ASN 65 12.820 -8.605 -5.101 373 HD21 ASN 65 HD21 ASN 65 12.443 -9.735 -2.447 374 HD22 ASN 65 HD22 ASN 65 13.596 -11.011 -2.292 375 H ILE 66 HN ILE 66 10.329 -6.957 -3.648 376 HA ILE 66 HA ILE 66 8.193 -6.184 -5.249 377 HB ILE 66 HB ILE 66 10.253 -4.348 -3.936 378 HG12 ILE 66 HG12 ILE 66 7.700 -5.498 -2.731 379 HG13 ILE 66 HG11 ILE 66 9.323 -6.057 -2.341 380 HG21 ILE 66 HG21 ILE 66 7.342 -3.845 -4.648 381 HG22 ILE 66 HG22 ILE 66 8.747 -3.158 -5.466 382 HG23 ILE 66 HG23 ILE 66 8.404 -2.721 -3.793 383 HD11 ILE 66 HD11 ILE 66 9.842 -3.857 -1.398 384 HD12 ILE 66 HD12 ILE 66 8.451 -4.605 -0.613 385 HD13 ILE 66 HD13 ILE 66 8.211 -3.311 -1.785 386 H LYS 67 HN LYS 67 11.660 -5.435 -5.632 387 HA LYS 67 HA LYS 67 11.554 -3.801 -7.904 388 HB2 LYS 67 HB2 LYS 67 13.968 -4.360 -8.188 389 HB3 LYS 67 HB1 LYS 67 13.574 -3.966 -6.518 390 HG2 LYS 67 HG2 LYS 67 13.580 -6.335 -5.919 391 HG3 LYS 67 HG1 LYS 67 13.850 -6.784 -7.601 392 HD2 LYS 67 HD2 LYS 67 16.067 -5.664 -7.529 393 HD3 LYS 67 HD1 LYS 67 15.795 -5.257 -5.828 394 HE2 LYS 67 HE2 LYS 67 15.699 -7.656 -5.258 395 HE3 LYS 67 HE1 LYS 67 15.895 -8.089 -6.958 396 HZ1 LYS 67 HZ1 LYS 67 18.080 -7.101 -6.926 397 HZ2 LYS 67 HZ2 LYS 67 17.954 -8.273 -5.714 398 HZ3 LYS 67 HZ3 LYS 67 17.881 -6.635 -5.313 399 H ASN 68 HN ASN 68 11.655 -7.326 -7.617 400 HA ASN 68 HA ASN 68 12.047 -7.962 -10.377 401 HB2 ASN 68 HB2 ASN 68 11.009 -9.630 -8.045 402 HB3 ASN 68 HB1 ASN 68 11.283 -10.289 -9.655 403 HD21 ASN 68 HD21 ASN 68 12.770 -11.757 -8.642 404 HD22 ASN 68 HD22 ASN 68 14.367 -11.255 -8.217 405 H VAL 69 HN VAL 69 9.220 -7.437 -8.330 406 HA VAL 69 HA VAL 69 7.273 -8.105 -10.338 407 HB VAL 69 HB VAL 69 6.875 -6.248 -7.948 408 HG11 VAL 69 HG11 VAL 69 5.069 -6.106 -9.598 409 HG12 VAL 69 HG12 VAL 69 4.485 -6.907 -8.140 410 HG13 VAL 69 HG13 VAL 69 4.867 -7.860 -9.577 411 HG21 VAL 69 HG21 VAL 69 6.073 -8.214 -6.675 412 HG22 VAL 69 HG22 VAL 69 7.765 -8.395 -7.138 413 HG23 VAL 69 HG23 VAL 69 6.512 -9.271 -8.019 414 H ALA 70 HN ALA 70 9.016 -5.205 -9.377 415 HA ALA 70 HA ALA 70 7.426 -3.260 -10.702 416 HB1 ALA 70 HB1 ALA 70 10.303 -3.023 -9.766 417 HB2 ALA 70 HB2 ALA 70 8.877 -2.759 -8.762 418 HB3 ALA 70 HB3 ALA 70 9.204 -1.685 -10.128 419 H LYS 71 HN LYS 71 9.932 -5.366 -11.874 420 HA LYS 71 HA LYS 71 10.583 -3.757 -14.210 421 HB2 LYS 71 HB2 LYS 71 12.089 -5.537 -14.847 422 HB3 LYS 71 HB1 LYS 71 12.275 -5.254 -13.118 423 HG2 LYS 71 HG2 LYS 71 10.931 -7.239 -12.616 424 HG3 LYS 71 HG1 LYS 71 10.643 -7.518 -14.335 425 HD2 LYS 71 HD2 LYS 71 13.337 -7.636 -12.919 426 HD3 LYS 71 HD1 LYS 71 12.393 -9.019 -13.481 427 HE2 LYS 71 HE2 LYS 71 12.674 -8.266 -15.813 428 HE3 LYS 71 HE1 LYS 71 13.583 -6.857 -15.263 429 HZ1 LYS 71 HZ1 LYS 71 15.222 -8.393 -14.321 430 HZ2 LYS 71 HZ2 LYS 71 15.079 -8.527 -16.000 431 HZ3 LYS 71 HZ3 LYS 71 14.379 -9.693 -14.997 432 H THR 72 HN THR 72 8.179 -6.059 -13.383 433 HA THR 72 HA THR 72 7.409 -6.483 -16.220 434 HB THR 72 HB THR 72 7.977 -8.598 -15.080 435 HG1 THR 72 HG1 THR 72 6.226 -9.674 -15.785 436 HG21 THR 72 HG21 THR 72 6.644 -9.472 -13.206 437 HG22 THR 72 HG22 THR 72 5.749 -7.953 -13.113 438 HG23 THR 72 HG23 THR 72 7.475 -7.985 -12.747 439 H ALA 73 HN ALA 73 6.641 -4.757 -13.455 440 HA ALA 73 HA ALA 73 3.744 -4.627 -13.933 441 HB1 ALA 73 HB1 ALA 73 5.431 -3.301 -11.771 442 HB2 ALA 73 HB2 ALA 73 4.509 -4.793 -11.595 443 HB3 ALA 73 HB3 ALA 73 3.666 -3.271 -11.875 444 H ASN 74 HN ASN 74 2.870 -3.051 -15.073 445 HA ASN 74 HA ASN 74 4.325 -0.606 -15.807 446 HB2 ASN 74 HB2 ASN 74 3.178 -1.788 -17.640 447 HB3 ASN 74 HB1 ASN 74 1.661 -1.777 -16.747 448 HD21 ASN 74 HD21 ASN 74 0.535 -0.706 -18.310 449 HD22 ASN 74 HD22 ASN 74 0.792 0.950 -18.719 450 H LYS 75 HN LYS 75 3.541 1.415 -15.219 451 HA LYS 75 HA LYS 75 2.501 1.777 -12.666 452 HB2 LYS 75 HB2 LYS 75 3.862 3.470 -13.871 453 HB3 LYS 75 HB1 LYS 75 2.525 3.769 -14.976 454 HG2 LYS 75 HG2 LYS 75 2.614 5.541 -13.318 455 HG3 LYS 75 HG1 LYS 75 1.153 4.581 -13.070 456 HD2 LYS 75 HD2 LYS 75 2.053 4.959 -10.894 457 HD3 LYS 75 HD1 LYS 75 2.432 3.286 -11.276 458 HE2 LYS 75 HE2 LYS 75 4.368 4.307 -10.235 459 HE3 LYS 75 HE1 LYS 75 4.745 4.009 -11.930 460 HZ1 LYS 75 HZ1 LYS 75 4.254 6.337 -12.389 461 HZ2 LYS 75 HZ2 LYS 75 5.503 6.169 -11.266 462 HZ3 LYS 75 HZ3 LYS 75 3.956 6.613 -10.748 463 H ASP 76 HN ASP 76 0.866 1.974 -15.810 464 HA ASP 76 HA ASP 76 -1.612 2.997 -15.028 465 HB2 ASP 76 HB2 ASP 76 -1.000 2.975 -17.360 466 HB3 ASP 76 HB1 ASP 76 -0.815 1.227 -17.370 467 H HIS 77 HN HIS 77 -0.531 -0.397 -15.253 468 HA HIS 77 HA HIS 77 -3.074 -1.483 -14.460 469 HB2 HIS 77 HB2 HIS 77 -1.388 -2.730 -15.904 470 HB3 HIS 77 HB1 HIS 77 -0.417 -2.972 -14.453 471 HD1 HIS 77 HD1 HIS 77 -3.565 -4.103 -16.134 472 HD2 HIS 77 HD2 HIS 77 -1.502 -4.849 -12.604 473 HE1 HIS 77 HE1 HIS 77 -4.660 -6.129 -15.123 474 HE2 HIS 77 HE2 HIS 77 -3.456 -6.500 -12.945 475 H LEU 78 HN LEU 78 -0.188 -0.425 -12.737 476 HA LEU 78 HA LEU 78 -0.764 -1.708 -10.250 477 HB2 LEU 78 HB2 LEU 78 0.852 0.779 -10.869 478 HB3 LEU 78 HB1 LEU 78 0.725 0.091 -9.253 479 HG LEU 78 HG LEU 78 1.960 -1.249 -11.687 480 HD11 LEU 78 HD11 LEU 78 3.354 0.496 -10.713 481 HD12 LEU 78 HD12 LEU 78 4.049 -1.096 -10.410 482 HD13 LEU 78 HD13 LEU 78 3.204 -0.238 -9.116 483 HD21 LEU 78 HD21 LEU 78 0.812 -2.948 -10.340 484 HD22 LEU 78 HD22 LEU 78 1.602 -2.358 -8.874 485 HD23 LEU 78 HD23 LEU 78 2.557 -3.107 -10.157 486 H VAL 79 HN VAL 79 -1.802 1.314 -11.681 487 HA VAL 79 HA VAL 79 -3.298 2.304 -9.464 488 HB VAL 79 HB VAL 79 -3.685 2.801 -12.454 489 HG11 VAL 79 HG11 VAL 79 -4.750 4.394 -10.085 490 HG12 VAL 79 HG12 VAL 79 -5.711 3.406 -11.184 491 HG13 VAL 79 HG13 VAL 79 -4.903 4.852 -11.785 492 HG21 VAL 79 HG21 VAL 79 -1.431 3.444 -11.674 493 HG22 VAL 79 HG22 VAL 79 -2.139 4.438 -10.403 494 HG23 VAL 79 HG23 VAL 79 -2.377 4.873 -12.097 495 H THR 80 HN THR 80 -4.036 0.208 -12.226 496 HA THR 80 HA THR 80 -6.782 -0.211 -11.776 497 HB THR 80 HB THR 80 -4.779 -2.105 -13.074 498 HG1 THR 80 HG1 THR 80 -6.139 0.201 -13.959 499 HG21 THR 80 HG21 THR 80 -7.798 -1.920 -13.461 500 HG22 THR 80 HG22 THR 80 -6.951 -3.220 -12.616 501 HG23 THR 80 HG23 THR 80 -6.707 -2.977 -14.349 502 H ALA 81 HN ALA 81 -3.926 -1.918 -10.522 503 HA ALA 81 HA ALA 81 -5.316 -4.001 -9.150 504 HB1 ALA 81 HB1 ALA 81 -3.122 -4.484 -8.116 505 HB2 ALA 81 HB2 ALA 81 -2.480 -2.971 -8.762 506 HB3 ALA 81 HB3 ALA 81 -2.965 -4.259 -9.862 507 H TYR 82 HN TYR 82 -3.938 -0.880 -8.272 508 HA TYR 82 HA TYR 82 -4.362 -0.752 -5.534 509 HB2 TYR 82 HB2 TYR 82 -3.056 0.975 -6.460 510 HB3 TYR 82 HB1 TYR 82 -4.195 1.297 -7.750 511 HD1 TYR 82 HD2 TYR 82 -3.382 2.011 -4.199 512 HD2 TYR 82 HD1 TYR 82 -6.056 2.840 -7.438 513 HE1 TYR 82 HE2 TYR 82 -4.270 3.972 -2.985 514 HE2 TYR 82 HE1 TYR 82 -6.911 4.796 -6.243 515 HH TYR 82 HH TYR 82 -5.409 6.152 -3.610 516 H ASN 83 HN ASN 83 -6.594 0.340 -8.141 517 HA ASN 83 HA ASN 83 -8.665 1.127 -6.352 518 HB2 ASN 83 HB2 ASN 83 -8.569 0.745 -9.356 519 HB3 ASN 83 HB1 ASN 83 -10.102 1.058 -8.555 520 HD21 ASN 83 HD21 ASN 83 -7.130 2.492 -9.644 521 HD22 ASN 83 HD22 ASN 83 -7.510 4.096 -9.184 522 H HIS 84 HN HIS 84 -8.075 -1.847 -8.210 523 HA HIS 84 HA HIS 84 -10.532 -3.153 -7.576 524 HB2 HIS 84 HB2 HIS 84 -7.872 -4.240 -8.569 525 HB3 HIS 84 HB1 HIS 84 -9.280 -5.267 -8.307 526 HD1 HIS 84 HD1 HIS 84 -8.703 -5.612 -11.006 527 HD2 HIS 84 HD2 HIS 84 -10.525 -2.055 -9.861 528 HE1 HIS 84 HE1 HIS 84 -9.680 -4.644 -13.104 529 HE2 HIS 84 HE2 HIS 84 -10.885 -2.568 -12.365 530 H LEU 85 HN LEU 85 -7.553 -2.743 -5.822 531 HA LEU 85 HA LEU 85 -7.614 -4.838 -3.965 532 HB2 LEU 85 HB2 LEU 85 -5.758 -3.178 -4.281 533 HB3 LEU 85 HB1 LEU 85 -6.740 -1.948 -3.552 534 HG LEU 85 HG LEU 85 -6.651 -3.088 -1.389 535 HD11 LEU 85 HD11 LEU 85 -5.195 -5.054 -1.029 536 HD12 LEU 85 HD12 LEU 85 -4.973 -5.192 -2.775 537 HD13 LEU 85 HD13 LEU 85 -6.575 -5.405 -2.065 538 HD21 LEU 85 HD21 LEU 85 -4.880 -1.464 -1.923 539 HD22 LEU 85 HD22 LEU 85 -3.875 -2.764 -2.574 540 HD23 LEU 85 HD23 LEU 85 -4.290 -2.737 -0.858 541 H PHE 86 HN PHE 86 -8.915 -1.558 -3.710 542 HA PHE 86 HA PHE 86 -10.271 -1.958 -1.211 543 HB2 PHE 86 HB2 PHE 86 -10.646 0.313 -3.194 544 HB3 PHE 86 HB1 PHE 86 -10.989 0.343 -1.464 545 HD1 PHE 86 HD2 PHE 86 -8.873 -0.075 0.119 546 HD2 PHE 86 HD1 PHE 86 -8.606 1.111 -3.958 547 HE1 PHE 86 HE2 PHE 86 -6.601 0.827 0.504 548 HE2 PHE 86 HE1 PHE 86 -6.366 1.991 -3.548 549 HZ PHE 86 HZ PHE 86 -5.357 1.844 -1.326 550 H GLU 87 HN GLU 87 -11.095 -2.245 -4.555 551 HA GLU 87 HA GLU 87 -13.836 -1.758 -4.624 552 HB2 GLU 87 HB2 GLU 87 -12.423 -1.846 -6.597 553 HB3 GLU 87 HB1 GLU 87 -12.061 -3.542 -6.318 554 HG2 GLU 87 HG2 GLU 87 -14.451 -4.091 -6.796 555 HG3 GLU 87 HG1 GLU 87 -14.731 -2.385 -7.160 556 H THR 88 HN THR 88 -12.148 -4.875 -4.226 557 HA THR 88 HA THR 88 -14.683 -6.167 -3.357 558 HB THR 88 HB THR 88 -13.583 -8.318 -4.216 559 HG1 THR 88 HG1 THR 88 -11.689 -8.206 -5.137 560 HG21 THR 88 HG21 THR 88 -15.330 -7.207 -5.571 561 HG22 THR 88 HG22 THR 88 -14.078 -7.899 -6.605 562 HG23 THR 88 HG23 THR 88 -14.104 -6.162 -6.299 563 H LYS 89 HN LYS 89 -12.085 -4.861 -2.046 564 HA LYS 89 HA LYS 89 -10.712 -5.119 -0.292 565 HB2 LYS 89 HB2 LYS 89 -12.952 -6.910 0.726 566 HB3 LYS 89 HB1 LYS 89 -11.647 -6.261 1.722 567 HG2 LYS 89 HG2 LYS 89 -12.406 -3.955 1.188 568 HG3 LYS 89 HG1 LYS 89 -13.741 -4.628 0.245 569 HD2 LYS 89 HD2 LYS 89 -14.636 -5.700 2.294 570 HD3 LYS 89 HD1 LYS 89 -13.298 -5.028 3.234 571 HE2 LYS 89 HE2 LYS 89 -14.080 -2.741 2.705 572 HE3 LYS 89 HE1 LYS 89 -15.410 -3.413 1.757 573 HZ1 LYS 89 HZ1 LYS 89 -14.983 -3.769 4.669 574 HZ2 LYS 89 HZ2 LYS 89 -16.240 -4.461 3.778 575 HZ3 LYS 89 HZ3 LYS 89 -16.148 -2.785 3.944 576 H ARG 90 HN ARG 90 -9.540 -6.273 -2.070 577 HA ARG 90 HA ARG 90 -8.986 -9.078 -1.872 578 HB2 ARG 90 HB2 ARG 90 -7.703 -6.761 -3.359 579 HB3 ARG 90 HB1 ARG 90 -7.086 -8.405 -3.479 580 HG2 ARG 90 HG2 ARG 90 -9.162 -9.186 -4.435 581 HG3 ARG 90 HG1 ARG 90 -9.925 -7.619 -4.182 582 HD2 ARG 90 HD2 ARG 90 -8.775 -6.624 -5.957 583 HD3 ARG 90 HD1 ARG 90 -7.453 -7.792 -5.889 584 HE ARG 90 HE ARG 90 -8.787 -9.379 -7.008 585 HH11 ARG 90 HH11 ARG 90 -10.464 -6.285 -6.797 586 HH12 ARG 90 HH12 ARG 90 -11.548 -6.665 -8.098 587 HH21 ARG 90 HH21 ARG 90 -10.181 -9.826 -8.707 588 HH22 ARG 90 HH22 ARG 90 -11.377 -8.659 -9.183 589 H PHE 91 HN PHE 91 -8.013 -6.419 -0.061 590 HA PHE 91 HA PHE 91 -5.491 -7.458 0.895 591 HB2 PHE 91 HB2 PHE 91 -5.719 -5.588 2.616 592 HB3 PHE 91 HB1 PHE 91 -5.643 -5.084 0.936 593 HD1 PHE 91 HD2 PHE 91 -8.003 -5.554 3.814 594 HD2 PHE 91 HD1 PHE 91 -7.399 -3.823 -0.036 595 HE1 PHE 91 HE2 PHE 91 -10.036 -4.195 4.088 596 HE2 PHE 91 HE1 PHE 91 -9.423 -2.466 0.246 597 HZ PHE 91 HZ PHE 91 -10.745 -2.648 2.314 598 H LYS 92 HN LYS 92 -5.129 -7.951 3.150 599 HA LYS 92 HA LYS 92 -6.826 -9.905 4.238 600 HB2 LYS 92 HB2 LYS 92 -4.319 -9.699 4.607 601 HB3 LYS 92 HB1 LYS 92 -4.624 -8.361 5.701 602 HG2 LYS 92 HG2 LYS 92 -5.860 -11.084 6.201 603 HG3 LYS 92 HG1 LYS 92 -4.198 -10.751 6.673 604 HD2 LYS 92 HD2 LYS 92 -4.839 -9.185 8.321 605 HD3 LYS 92 HD1 LYS 92 -6.431 -8.933 7.610 606 HE2 LYS 92 HE2 LYS 92 -5.546 -11.500 8.969 607 HE3 LYS 92 HE1 LYS 92 -6.502 -10.231 9.738 608 HZ1 LYS 92 HZ1 LYS 92 -7.912 -11.994 8.922 609 HZ2 LYS 92 HZ2 LYS 92 -7.310 -11.797 7.351 610 HZ3 LYS 92 HZ3 LYS 92 -8.215 -10.564 8.069 Start of MODEL 4 1 H MET 20 H MET 20 -5.682 -9.279 15.293 2 HA MET 20 HA MET 20 -7.040 -8.008 13.737 3 HB2 MET 20 HB2 MET 20 -7.680 -8.065 16.094 4 HB3 MET 20 HB1 MET 20 -6.552 -6.773 16.481 5 HG2 MET 20 HG2 MET 20 -8.889 -6.001 16.427 6 HG3 MET 20 HG1 MET 20 -7.889 -5.180 15.226 7 HE1 MET 20 HE1 MET 20 -9.922 -4.282 13.868 8 HE2 MET 20 HE2 MET 20 -11.030 -4.972 15.052 9 HE3 MET 20 HE3 MET 20 -11.278 -5.269 13.331 10 H ALA 21 HN ALA 21 -7.325 -6.204 12.458 11 HA ALA 21 HA ALA 21 -5.403 -3.940 12.677 12 HB1 ALA 21 HB1 ALA 21 -5.628 -3.618 10.238 13 HB2 ALA 21 HB2 ALA 21 -6.683 -5.029 10.131 14 HB3 ALA 21 HB3 ALA 21 -4.995 -5.224 10.603 15 H ALA 22 HN ALA 22 -6.757 -2.822 14.073 16 HA ALA 22 HA ALA 22 -9.542 -2.374 13.760 17 HB1 ALA 22 HB1 ALA 22 -7.494 -0.707 15.288 18 HB2 ALA 22 HB2 ALA 22 -8.383 -2.089 15.925 19 HB3 ALA 22 HB3 ALA 22 -9.249 -0.617 15.490 20 H ALA 23 HN ALA 23 -6.733 -0.345 13.015 21 HA ALA 23 HA ALA 23 -8.287 1.247 11.057 22 HB1 ALA 23 HB1 ALA 23 -6.396 2.830 11.128 23 HB2 ALA 23 HB2 ALA 23 -5.544 1.793 12.276 24 HB3 ALA 23 HB3 ALA 23 -7.056 2.573 12.745 25 H VAL 24 HN VAL 24 -8.269 0.106 9.191 26 HA VAL 24 HA VAL 24 -6.060 -1.557 8.346 27 HB VAL 24 HB VAL 24 -7.378 -2.062 6.338 28 HG11 VAL 24 HG11 VAL 24 -9.361 -3.093 7.390 29 HG12 VAL 24 HG12 VAL 24 -9.130 -2.091 8.824 30 HG13 VAL 24 HG13 VAL 24 -7.921 -3.303 8.390 31 HG21 VAL 24 HG21 VAL 24 -9.614 -1.039 5.907 32 HG22 VAL 24 HG22 VAL 24 -8.319 0.158 5.829 33 HG23 VAL 24 HG23 VAL 24 -9.354 0.075 7.254 34 HA PRO 25 HA PRO 25 -4.007 1.680 5.949 35 HB2 PRO 25 HB2 PRO 25 -2.527 0.185 4.219 36 HB3 PRO 25 HB1 PRO 25 -2.128 0.343 5.933 37 HG2 PRO 25 HG2 PRO 25 -3.531 -1.900 4.519 38 HG3 PRO 25 HG1 PRO 25 -2.309 -1.981 5.803 39 HD2 PRO 25 HD2 PRO 25 -5.012 -2.285 6.232 40 HD3 PRO 25 HD1 PRO 25 -3.885 -1.697 7.472 41 H GLN 26 HN GLN 26 -5.743 2.559 5.074 42 HA GLN 26 HA GLN 26 -7.230 1.561 2.822 43 HB2 GLN 26 HB2 GLN 26 -8.450 3.745 2.996 44 HB3 GLN 26 HB1 GLN 26 -8.382 2.872 4.527 45 HG2 GLN 26 HG2 GLN 26 -6.548 4.352 5.282 46 HG3 GLN 26 HG1 GLN 26 -6.628 5.233 3.756 47 HE21 GLN 26 HE21 GLN 26 -8.349 6.646 3.395 48 HE22 GLN 26 HE22 GLN 26 -9.427 7.156 4.647 49 H ARG 27 HN ARG 27 -7.626 3.451 1.062 50 HA ARG 27 HA ARG 27 -5.346 3.691 -0.548 51 HB2 ARG 27 HB2 ARG 27 -7.258 3.823 -1.831 52 HB3 ARG 27 HB1 ARG 27 -8.161 4.719 -0.616 53 HG2 ARG 27 HG2 ARG 27 -7.056 6.784 -1.235 54 HG3 ARG 27 HG1 ARG 27 -6.006 5.938 -2.368 55 HD2 ARG 27 HD2 ARG 27 -7.757 5.570 -3.896 56 HD3 ARG 27 HD1 ARG 27 -9.012 5.875 -2.686 57 HE ARG 27 HE ARG 27 -7.340 8.159 -3.121 58 HH11 ARG 27 HH11 ARG 27 -10.030 6.427 -4.566 59 HH12 ARG 27 HH12 ARG 27 -10.773 7.868 -5.181 60 HH21 ARG 27 HH21 ARG 27 -8.347 10.022 -3.860 61 HH22 ARG 27 HH22 ARG 27 -9.815 9.908 -4.775 62 H ALA 28 HN ALA 28 -3.672 4.899 -0.328 63 HA ALA 28 HA ALA 28 -3.573 7.337 1.279 64 HB1 ALA 28 HB1 ALA 28 -1.130 7.170 0.910 65 HB2 ALA 28 HB2 ALA 28 -1.376 5.812 -0.188 66 HB3 ALA 28 HB3 ALA 28 -1.779 5.643 1.521 67 H TRP 29 HN TRP 29 -2.595 6.331 -2.021 68 HA TRP 29 HA TRP 29 -2.447 9.078 -2.979 69 HB2 TRP 29 HB2 TRP 29 -1.869 6.500 -4.491 70 HB3 TRP 29 HB1 TRP 29 -1.369 8.127 -4.947 71 HD1 TRP 29 HD1 TRP 29 0.314 9.287 -2.805 72 HE1 TRP 29 HE1 TRP 29 2.344 8.117 -1.742 73 HE3 TRP 29 HE3 TRP 29 -0.779 4.453 -4.048 74 HZ2 TRP 29 HZ2 TRP 29 3.358 5.502 -1.481 75 HZ3 TRP 29 HZ3 TRP 29 0.776 2.670 -3.372 76 HH2 TRP 29 HH2 TRP 29 2.805 3.188 -2.113 77 H THR 30 HN THR 30 -3.666 9.929 -4.653 78 HA THR 30 HA THR 30 -6.149 8.657 -5.468 79 HB THR 30 HB THR 30 -6.423 10.697 -6.919 80 HG1 THR 30 HG1 THR 30 -4.748 12.396 -6.380 81 HG21 THR 30 HG21 THR 30 -6.666 12.362 -5.121 82 HG22 THR 30 HG22 THR 30 -5.684 11.371 -4.042 83 HG23 THR 30 HG23 THR 30 -7.260 10.790 -4.592 84 H VAL 31 HN VAL 31 -6.590 8.773 -7.962 85 HA VAL 31 HA VAL 31 -5.043 6.815 -9.246 86 HB VAL 31 HB VAL 31 -7.074 8.778 -10.374 87 HG11 VAL 31 HG11 VAL 31 -5.716 7.981 -12.247 88 HG12 VAL 31 HG12 VAL 31 -7.327 7.267 -12.317 89 HG13 VAL 31 HG13 VAL 31 -5.959 6.307 -11.746 90 HG21 VAL 31 HG21 VAL 31 -8.649 6.885 -10.245 91 HG22 VAL 31 HG22 VAL 31 -7.980 7.279 -8.663 92 HG23 VAL 31 HG23 VAL 31 -7.376 5.874 -9.545 93 H GLU 32 HN GLU 32 -4.958 10.363 -9.523 94 HA GLU 32 HA GLU 32 -3.028 10.459 -11.640 95 HB2 GLU 32 HB2 GLU 32 -2.879 12.883 -11.151 96 HB3 GLU 32 HB1 GLU 32 -4.539 12.330 -11.341 97 HG2 GLU 32 HG2 GLU 32 -4.886 12.381 -8.932 98 HG3 GLU 32 HG1 GLU 32 -3.195 12.803 -8.662 99 H GLN 33 HN GLN 33 -2.801 10.593 -8.088 100 HA GLN 33 HA GLN 33 -0.010 11.129 -7.920 101 HB2 GLN 33 HB2 GLN 33 -1.923 9.857 -5.924 102 HB3 GLN 33 HB1 GLN 33 -0.235 10.203 -5.550 103 HG2 GLN 33 HG2 GLN 33 -0.637 12.601 -5.964 104 HG3 GLN 33 HG1 GLN 33 -2.324 12.257 -6.332 105 HE21 GLN 33 HE21 GLN 33 -1.157 13.980 -4.251 106 HE22 GLN 33 HE22 GLN 33 -1.799 13.408 -2.754 107 H LEU 34 HN LEU 34 -1.831 8.182 -8.437 108 HA LEU 34 HA LEU 34 0.234 6.276 -7.968 109 HB2 LEU 34 HB2 LEU 34 -2.237 6.175 -9.735 110 HB3 LEU 34 HB1 LEU 34 -1.198 4.786 -9.454 111 HG LEU 34 HG LEU 34 -2.703 6.243 -7.255 112 HD11 LEU 34 HD11 LEU 34 -4.325 4.467 -7.290 113 HD12 LEU 34 HD12 LEU 34 -3.463 3.626 -8.574 114 HD13 LEU 34 HD13 LEU 34 -4.237 5.178 -8.898 115 HD21 LEU 34 HD21 LEU 34 -2.140 4.278 -5.888 116 HD22 LEU 34 HD22 LEU 34 -0.693 5.109 -6.453 117 HD23 LEU 34 HD23 LEU 34 -1.203 3.602 -7.225 118 H ARG 35 HN ARG 35 -1.007 7.779 -10.979 119 HA ARG 35 HA ARG 35 0.994 6.551 -12.658 120 HB2 ARG 35 HB2 ARG 35 -0.023 7.814 -14.511 121 HB3 ARG 35 HB1 ARG 35 -1.255 7.013 -13.543 122 HG2 ARG 35 HG2 ARG 35 -1.681 9.210 -12.391 123 HG3 ARG 35 HG1 ARG 35 -0.567 9.972 -13.529 124 HD2 ARG 35 HD2 ARG 35 -3.142 8.520 -14.239 125 HD3 ARG 35 HD1 ARG 35 -2.916 10.271 -14.213 126 HE ARG 35 HE ARG 35 -1.012 9.482 -15.951 127 HH11 ARG 35 HH11 ARG 35 -4.448 8.720 -15.828 128 HH12 ARG 35 HH12 ARG 35 -4.587 8.577 -17.553 129 HH21 ARG 35 HH21 ARG 35 -1.225 9.308 -18.198 130 HH22 ARG 35 HH22 ARG 35 -2.776 8.932 -18.883 131 H SER 36 HN SER 36 1.018 9.321 -10.667 132 HA SER 36 HA SER 36 2.844 11.058 -11.825 133 HB2 SER 36 HB2 SER 36 1.805 11.559 -9.678 134 HB3 SER 36 HB1 SER 36 2.587 10.177 -8.915 135 HG SER 36 HG SER 36 3.837 12.534 -9.902 136 H GLU 37 HN GLU 37 4.873 10.820 -12.523 137 HA GLU 37 HA GLU 37 6.198 8.304 -12.546 138 HB2 GLU 37 HB2 GLU 37 7.225 11.041 -13.405 139 HB3 GLU 37 HB1 GLU 37 7.929 9.485 -13.861 140 HG2 GLU 37 HG2 GLU 37 5.847 8.901 -15.062 141 HG3 GLU 37 HG1 GLU 37 5.139 10.448 -14.598 142 H GLN 38 HN GLN 38 6.466 11.113 -10.527 143 HA GLN 38 HA GLN 38 9.025 10.700 -9.363 144 HB2 GLN 38 HB2 GLN 38 6.557 12.101 -8.238 145 HB3 GLN 38 HB1 GLN 38 8.191 12.253 -7.586 146 HG2 GLN 38 HG2 GLN 38 8.952 13.309 -9.650 147 HG3 GLN 38 HG1 GLN 38 7.370 13.072 -10.392 148 HE21 GLN 38 HE21 GLN 38 8.821 15.547 -9.983 149 HE22 GLN 38 HE22 GLN 38 7.811 16.561 -9.020 150 H LEU 39 HN LEU 39 5.825 9.384 -8.684 151 HA LEU 39 HA LEU 39 6.692 7.841 -6.369 152 HB2 LEU 39 HB2 LEU 39 4.319 8.651 -6.623 153 HB3 LEU 39 HB1 LEU 39 4.142 7.639 -8.043 154 HG LEU 39 HG LEU 39 4.415 5.609 -6.644 155 HD11 LEU 39 HD11 LEU 39 4.414 5.731 -4.200 156 HD12 LEU 39 HD12 LEU 39 4.529 7.493 -4.270 157 HD13 LEU 39 HD13 LEU 39 5.851 6.491 -4.881 158 HD21 LEU 39 HD21 LEU 39 2.236 7.470 -5.630 159 HD22 LEU 39 HD22 LEU 39 2.244 5.710 -5.490 160 HD23 LEU 39 HD23 LEU 39 2.155 6.463 -7.082 161 HA PRO 40 HA PRO 40 8.426 4.758 -9.314 162 HB2 PRO 40 HB2 PRO 40 9.194 3.246 -6.860 163 HB3 PRO 40 HB1 PRO 40 10.223 3.905 -8.136 164 HG2 PRO 40 HG2 PRO 40 10.176 5.002 -5.683 165 HG3 PRO 40 HG1 PRO 40 10.345 6.010 -7.138 166 HD2 PRO 40 HD2 PRO 40 7.852 5.451 -5.504 167 HD3 PRO 40 HD1 PRO 40 8.476 7.011 -6.098 168 H LYS 41 HN LYS 41 8.118 2.488 -9.805 169 HA LYS 41 HA LYS 41 5.481 1.488 -9.385 170 HB2 LYS 41 HB2 LYS 41 7.948 0.116 -10.552 171 HB3 LYS 41 HB1 LYS 41 6.325 -0.572 -10.581 172 HG2 LYS 41 HG2 LYS 41 5.562 1.405 -11.911 173 HG3 LYS 41 HG1 LYS 41 7.233 1.964 -11.976 174 HD2 LYS 41 HD2 LYS 41 6.159 -0.641 -13.126 175 HD3 LYS 41 HD1 LYS 41 6.594 0.799 -14.048 176 HE2 LYS 41 HE2 LYS 41 8.496 -0.940 -12.441 177 HE3 LYS 41 HE1 LYS 41 8.349 -0.893 -14.196 178 HZ1 LYS 41 HZ1 LYS 41 10.236 0.393 -13.461 179 HZ2 LYS 41 HZ2 LYS 41 9.254 1.335 -12.459 180 HZ3 LYS 41 HZ3 LYS 41 9.077 1.426 -14.136 181 H LYS 42 HN LYS 42 8.663 0.643 -8.081 182 HA LYS 42 HA LYS 42 7.987 -1.666 -6.611 183 HB2 LYS 42 HB2 LYS 42 10.125 -1.267 -5.408 184 HB3 LYS 42 HB1 LYS 42 10.306 -1.098 -7.153 185 HG2 LYS 42 HG2 LYS 42 10.100 1.420 -6.819 186 HG3 LYS 42 HG1 LYS 42 10.204 1.119 -5.080 187 HD2 LYS 42 HD2 LYS 42 12.434 0.114 -5.369 188 HD3 LYS 42 HD1 LYS 42 12.326 0.327 -7.121 189 HE2 LYS 42 HE2 LYS 42 12.195 2.807 -6.747 190 HE3 LYS 42 HE1 LYS 42 12.447 2.518 -5.022 191 HZ1 LYS 42 HZ1 LYS 42 14.501 3.095 -6.158 192 HZ2 LYS 42 HZ2 LYS 42 14.333 1.765 -7.189 193 HZ3 LYS 42 HZ3 LYS 42 14.579 1.528 -5.532 194 H ASP 43 HN ASP 43 7.579 1.732 -5.880 195 HA ASP 43 HA ASP 43 7.249 1.461 -3.057 196 HB2 ASP 43 HB2 ASP 43 7.816 3.593 -4.432 197 HB3 ASP 43 HB1 ASP 43 6.087 3.736 -4.709 198 H ILE 44 HN ILE 44 4.980 1.606 -5.812 199 HA ILE 44 HA ILE 44 2.587 1.465 -4.222 200 HB ILE 44 HB ILE 44 2.853 0.759 -7.183 201 HG12 ILE 44 HG12 ILE 44 2.275 3.467 -5.885 202 HG13 ILE 44 HG11 ILE 44 3.701 3.043 -6.830 203 HG21 ILE 44 HG21 ILE 44 0.431 1.286 -7.312 204 HG22 ILE 44 HG22 ILE 44 0.398 1.591 -5.574 205 HG23 ILE 44 HG23 ILE 44 0.745 -0.031 -6.178 206 HD11 ILE 44 HD11 ILE 44 2.266 2.770 -8.823 207 HD12 ILE 44 HD12 ILE 44 2.188 4.392 -8.137 208 HD13 ILE 44 HD13 ILE 44 0.869 3.258 -7.860 209 H ILE 45 HN ILE 45 4.441 -0.922 -6.126 210 HA ILE 45 HA ILE 45 2.865 -3.216 -5.693 211 HB ILE 45 HB ILE 45 5.875 -2.982 -6.148 212 HG12 ILE 45 HG12 ILE 45 3.640 -3.657 -8.109 213 HG13 ILE 45 HG11 ILE 45 4.386 -2.072 -7.950 214 HG21 ILE 45 HG21 ILE 45 5.851 -5.365 -6.860 215 HG22 ILE 45 HG22 ILE 45 4.171 -5.500 -6.342 216 HG23 ILE 45 HG23 ILE 45 5.436 -5.187 -5.153 217 HD11 ILE 45 HD11 ILE 45 6.517 -3.002 -8.693 218 HD12 ILE 45 HD12 ILE 45 5.232 -3.263 -9.873 219 HD13 ILE 45 HD13 ILE 45 5.772 -4.594 -8.850 220 H LYS 46 HN LYS 46 5.517 -1.822 -3.774 221 HA LYS 46 HA LYS 46 5.696 -3.789 -1.760 222 HB2 LYS 46 HB2 LYS 46 7.393 -1.999 -2.034 223 HB3 LYS 46 HB1 LYS 46 6.218 -0.798 -1.511 224 HG2 LYS 46 HG2 LYS 46 6.107 -1.900 0.723 225 HG3 LYS 46 HG1 LYS 46 7.305 -3.077 0.175 226 HD2 LYS 46 HD2 LYS 46 8.934 -1.206 -0.166 227 HD3 LYS 46 HD1 LYS 46 7.730 -0.081 0.476 228 HE2 LYS 46 HE2 LYS 46 8.988 -2.405 1.983 229 HE3 LYS 46 HE1 LYS 46 9.357 -0.692 2.207 230 HZ1 LYS 46 HZ1 LYS 46 6.748 -2.012 2.745 231 HZ2 LYS 46 HZ2 LYS 46 7.049 -0.358 2.905 232 HZ3 LYS 46 HZ3 LYS 46 7.851 -1.461 3.903 233 H PHE 47 HN PHE 47 3.774 -0.803 -1.986 234 HA PHE 47 HA PHE 47 2.522 -0.846 0.528 235 HB2 PHE 47 HB2 PHE 47 2.482 1.111 -1.047 236 HB3 PHE 47 HB1 PHE 47 1.383 0.232 -2.099 237 HD1 PHE 47 HD2 PHE 47 1.438 0.685 1.593 238 HD2 PHE 47 HD1 PHE 47 -0.718 1.343 -2.007 239 HE1 PHE 47 HE2 PHE 47 -0.423 1.630 2.898 240 HE2 PHE 47 HE1 PHE 47 -2.591 2.280 -0.713 241 HZ PHE 47 HZ PHE 47 -2.450 2.427 1.738 242 H LEU 48 HN LEU 48 1.445 -2.160 -2.582 243 HA LEU 48 HA LEU 48 -1.096 -3.052 -1.640 244 HB2 LEU 48 HB2 LEU 48 0.407 -3.685 -4.200 245 HB3 LEU 48 HB1 LEU 48 -1.272 -4.123 -3.890 246 HG LEU 48 HG LEU 48 -0.166 -1.286 -4.053 247 HD11 LEU 48 HD11 LEU 48 -1.480 -1.105 -6.130 248 HD12 LEU 48 HD12 LEU 48 -1.956 -2.800 -5.992 249 HD13 LEU 48 HD13 LEU 48 -0.261 -2.375 -6.242 250 HD21 LEU 48 HD21 LEU 48 -1.958 -1.316 -2.435 251 HD22 LEU 48 HD22 LEU 48 -3.010 -2.230 -3.525 252 HD23 LEU 48 HD23 LEU 48 -2.554 -0.577 -3.921 253 H GLN 49 HN GLN 49 2.070 -4.621 -1.982 254 HA GLN 49 HA GLN 49 0.976 -7.255 -1.394 255 HB2 GLN 49 HB2 GLN 49 3.120 -8.171 -1.644 256 HB3 GLN 49 HB1 GLN 49 3.107 -6.853 -2.812 257 HG2 GLN 49 HG2 GLN 49 4.485 -5.479 -1.386 258 HG3 GLN 49 HG1 GLN 49 4.332 -6.613 -0.046 259 HE21 GLN 49 HE21 GLN 49 5.012 -7.386 -3.451 260 HE22 GLN 49 HE22 GLN 49 6.578 -8.045 -3.162 261 H GLU 50 HN GLU 50 2.217 -4.547 0.343 262 HA GLU 50 HA GLU 50 3.093 -5.695 2.739 263 HB2 GLU 50 HB2 GLU 50 3.320 -3.247 1.965 264 HB3 GLU 50 HB1 GLU 50 1.677 -3.000 2.527 265 HG2 GLU 50 HG2 GLU 50 3.138 -2.199 4.224 266 HG3 GLU 50 HG1 GLU 50 2.428 -3.696 4.826 267 H HIS 51 HN HIS 51 -0.165 -4.956 1.591 268 HA HIS 51 HA HIS 51 -1.279 -6.138 4.065 269 HB2 HIS 51 HB2 HIS 51 -3.044 -4.462 4.172 270 HB3 HIS 51 HB1 HIS 51 -1.463 -3.718 4.289 271 HD1 HIS 51 HD1 HIS 51 -0.632 -2.465 2.056 272 HD2 HIS 51 HD2 HIS 51 -4.681 -3.304 2.297 273 HE1 HIS 51 HE1 HIS 51 -1.734 -0.936 0.401 274 HE2 HIS 51 HE2 HIS 51 -4.191 -1.308 0.754 275 H GLY 52 HN GLY 52 -1.514 -5.938 0.594 276 HA2 GLY 52 HA2 GLY 52 -4.144 -6.975 0.242 277 HA3 GLY 52 HA1 GLY 52 -2.838 -7.026 -0.936 278 H SER 53 HN SER 53 -4.866 -9.120 -0.105 279 HA SER 53 HA SER 53 -3.421 -11.162 1.354 280 HB2 SER 53 HB2 SER 53 -6.060 -11.321 -0.152 281 HB3 SER 53 HB1 SER 53 -5.419 -12.579 0.902 282 HG SER 53 HG SER 53 -6.277 -9.984 1.603 283 H ASP 54 HN ASP 54 -3.283 -13.417 0.457 284 HA ASP 54 HA ASP 54 -1.205 -13.462 -1.377 285 HB2 ASP 54 HB2 ASP 54 -3.024 -15.770 -0.559 286 HB3 ASP 54 HB1 ASP 54 -1.454 -15.951 -1.346 287 H SER 55 HN SER 55 -4.629 -14.238 -1.930 288 HA SER 55 HA SER 55 -4.336 -15.325 -4.552 289 HB2 SER 55 HB2 SER 55 -6.272 -15.830 -3.082 290 HB3 SER 55 HB1 SER 55 -6.812 -14.154 -3.198 291 HG SER 55 HG SER 55 -7.728 -15.874 -4.677 292 H PHE 56 HN PHE 56 -5.201 -12.084 -3.327 293 HA PHE 56 HA PHE 56 -5.749 -10.816 -5.805 294 HB2 PHE 56 HB2 PHE 56 -6.413 -9.797 -3.665 295 HB3 PHE 56 HB1 PHE 56 -4.732 -9.662 -3.167 296 HD1 PHE 56 HD1 PHE 56 -7.282 -8.346 -5.528 297 HD2 PHE 56 HD2 PHE 56 -3.389 -7.772 -3.859 298 HE1 PHE 56 HE1 PHE 56 -7.173 -6.105 -6.531 299 HE2 PHE 56 HE2 PHE 56 -3.287 -5.540 -4.878 300 HZ PHE 56 HZ PHE 56 -5.170 -4.719 -6.215 301 H LEU 57 HN LEU 57 -2.795 -11.071 -3.847 302 HA LEU 57 HA LEU 57 -1.098 -9.517 -5.500 303 HB2 LEU 57 HB2 LEU 57 -0.312 -11.704 -3.533 304 HB3 LEU 57 HB1 LEU 57 0.762 -10.475 -4.195 305 HG LEU 57 HG LEU 57 -1.533 -10.051 -2.252 306 HD11 LEU 57 HD11 LEU 57 1.443 -9.645 -1.912 307 HD12 LEU 57 HD12 LEU 57 0.470 -10.941 -1.217 308 HD13 LEU 57 HD13 LEU 57 0.201 -9.277 -0.709 309 HD21 LEU 57 HD21 LEU 57 -1.535 -8.195 -3.841 310 HD22 LEU 57 HD22 LEU 57 0.186 -7.919 -3.559 311 HD23 LEU 57 HD23 LEU 57 -0.978 -7.659 -2.259 312 H ALA 58 HN ALA 58 -1.952 -12.936 -5.506 313 HA ALA 58 HA ALA 58 0.072 -13.848 -7.292 314 HB1 ALA 58 HB1 ALA 58 -1.307 -15.897 -7.446 315 HB2 ALA 58 HB2 ALA 58 -2.637 -15.067 -6.633 316 HB3 ALA 58 HB3 ALA 58 -1.129 -15.373 -5.771 317 H GLU 59 HN GLU 59 -3.364 -12.946 -7.775 318 HA GLU 59 HA GLU 59 -3.515 -13.418 -10.556 319 HB2 GLU 59 HB2 GLU 59 -5.114 -11.480 -8.826 320 HB3 GLU 59 HB1 GLU 59 -5.531 -11.912 -10.487 321 HG2 GLU 59 HG2 GLU 59 -5.796 -14.269 -9.793 322 HG3 GLU 59 HG1 GLU 59 -5.420 -13.814 -8.131 323 H HIS 60 HN HIS 60 -2.453 -10.558 -8.752 324 HA HIS 60 HA HIS 60 -2.086 -9.025 -11.261 325 HB2 HIS 60 HB2 HIS 60 -1.978 -8.118 -8.346 326 HB3 HIS 60 HB1 HIS 60 -1.699 -7.072 -9.731 327 HD1 HIS 60 HD1 HIS 60 -3.775 -6.494 -11.222 328 HD2 HIS 60 HD2 HIS 60 -4.651 -8.625 -7.775 329 HE1 HIS 60 HE1 HIS 60 -6.247 -6.240 -10.899 330 HE2 HIS 60 HE2 HIS 60 -6.772 -7.727 -8.936 331 H LYS 61 HN LYS 61 -0.298 -11.083 -9.341 332 HA LYS 61 HA LYS 61 1.890 -11.622 -9.103 333 HB2 LYS 61 HB2 LYS 61 2.258 -9.878 -11.582 334 HB3 LYS 61 HB1 LYS 61 3.493 -10.957 -10.930 335 HG2 LYS 61 HG2 LYS 61 0.794 -11.765 -12.076 336 HG3 LYS 61 HG1 LYS 61 2.380 -12.010 -12.824 337 HD2 LYS 61 HD2 LYS 61 3.014 -13.533 -10.967 338 HD3 LYS 61 HD1 LYS 61 1.440 -13.276 -10.212 339 HE2 LYS 61 HE2 LYS 61 1.388 -15.388 -11.354 340 HE3 LYS 61 HE1 LYS 61 0.375 -14.266 -12.262 341 HZ1 LYS 61 HZ1 LYS 61 1.789 -15.601 -13.697 342 HZ2 LYS 61 HZ2 LYS 61 3.174 -14.994 -12.934 343 HZ3 LYS 61 HZ3 LYS 61 2.174 -13.959 -13.825 344 H LEU 62 HN LEU 62 0.879 -9.354 -7.627 345 HA LEU 62 HA LEU 62 2.963 -7.358 -7.373 346 HB2 LEU 62 HB2 LEU 62 0.497 -7.936 -5.687 347 HB3 LEU 62 HB1 LEU 62 1.565 -6.561 -5.423 348 HG LEU 62 HG LEU 62 -0.002 -7.022 -7.996 349 HD11 LEU 62 HD11 LEU 62 -1.548 -6.671 -6.131 350 HD12 LEU 62 HD12 LEU 62 -1.549 -5.299 -7.234 351 HD13 LEU 62 HD13 LEU 62 -0.704 -5.184 -5.688 352 HD21 LEU 62 HD21 LEU 62 1.495 -4.559 -7.015 353 HD22 LEU 62 HD22 LEU 62 0.542 -4.674 -8.499 354 HD23 LEU 62 HD23 LEU 62 2.003 -5.638 -8.317 355 H LEU 63 HN LEU 63 2.491 -10.513 -6.135 356 HA LEU 63 HA LEU 63 3.873 -10.232 -3.625 357 HB2 LEU 63 HB2 LEU 63 3.955 -12.818 -3.758 358 HB3 LEU 63 HB1 LEU 63 2.395 -12.037 -3.623 359 HG LEU 63 HG LEU 63 1.953 -12.423 -6.028 360 HD11 LEU 63 HD11 LEU 63 3.335 -13.900 -7.396 361 HD12 LEU 63 HD12 LEU 63 4.580 -13.919 -6.142 362 HD13 LEU 63 HD13 LEU 63 4.185 -12.413 -6.975 363 HD21 LEU 63 HD21 LEU 63 1.605 -14.840 -5.902 364 HD22 LEU 63 HD22 LEU 63 1.193 -14.054 -4.383 365 HD23 LEU 63 HD23 LEU 63 2.711 -14.947 -4.528 366 H GLY 64 HN GLY 64 5.768 -11.915 -3.281 367 HA2 GLY 64 HA2 GLY 64 7.874 -12.703 -3.756 368 HA3 GLY 64 HA1 GLY 64 7.637 -12.263 -5.446 369 H ASN 65 HN ASN 65 9.869 -11.546 -5.423 370 HA ASN 65 HA ASN 65 10.832 -9.473 -3.707 371 HB2 ASN 65 HB2 ASN 65 11.905 -10.399 -6.413 372 HB3 ASN 65 HB1 ASN 65 12.750 -9.324 -5.307 373 HD21 ASN 65 HD21 ASN 65 11.916 -10.855 -2.884 374 HD22 ASN 65 HD22 ASN 65 12.847 -12.306 -2.922 375 H ILE 66 HN ILE 66 10.214 -7.444 -3.745 376 HA ILE 66 HA ILE 66 8.251 -6.318 -5.334 377 HB ILE 66 HB ILE 66 10.390 -4.774 -3.788 378 HG12 ILE 66 HG12 ILE 66 7.746 -5.838 -2.706 379 HG13 ILE 66 HG11 ILE 66 9.306 -6.601 -2.421 380 HG21 ILE 66 HG21 ILE 66 8.655 -3.045 -3.492 381 HG22 ILE 66 HG22 ILE 66 7.536 -3.985 -4.479 382 HG23 ILE 66 HG23 ILE 66 9.003 -3.320 -5.200 383 HD11 ILE 66 HD11 ILE 66 8.530 -3.828 -1.529 384 HD12 ILE 66 HD12 ILE 66 10.065 -4.640 -1.204 385 HD13 ILE 66 HD13 ILE 66 8.568 -5.276 -0.522 386 H LYS 67 HN LYS 67 11.751 -5.648 -5.461 387 HA LYS 67 HA LYS 67 11.720 -3.674 -7.492 388 HB2 LYS 67 HB2 LYS 67 13.975 -5.521 -6.634 389 HB3 LYS 67 HB1 LYS 67 14.182 -4.031 -7.546 390 HG2 LYS 67 HG2 LYS 67 13.564 -2.680 -5.669 391 HG3 LYS 67 HG1 LYS 67 12.963 -4.074 -4.766 392 HD2 LYS 67 HD2 LYS 67 15.878 -3.614 -5.527 393 HD3 LYS 67 HD1 LYS 67 15.174 -3.257 -3.944 394 HE2 LYS 67 HE2 LYS 67 14.599 -5.659 -3.676 395 HE3 LYS 67 HE1 LYS 67 15.330 -6.000 -5.246 396 HZ1 LYS 67 HZ1 LYS 67 16.824 -6.543 -3.476 397 HZ2 LYS 67 HZ2 LYS 67 16.733 -4.977 -2.846 398 HZ3 LYS 67 HZ3 LYS 67 17.443 -5.240 -4.354 399 H ASN 68 HN ASN 68 12.207 -7.159 -7.568 400 HA ASN 68 HA ASN 68 12.910 -7.491 -10.297 401 HB2 ASN 68 HB2 ASN 68 13.330 -9.206 -8.552 402 HB3 ASN 68 HB1 ASN 68 11.597 -9.447 -8.361 403 HD21 ASN 68 HD21 ASN 68 11.711 -11.622 -8.877 404 HD22 ASN 68 HD22 ASN 68 12.025 -12.203 -10.473 405 H VAL 69 HN VAL 69 9.788 -7.577 -8.600 406 HA VAL 69 HA VAL 69 8.125 -8.123 -10.860 407 HB VAL 69 HB VAL 69 7.464 -6.709 -8.223 408 HG11 VAL 69 HG11 VAL 69 5.092 -7.241 -8.708 409 HG12 VAL 69 HG12 VAL 69 5.555 -7.869 -10.289 410 HG13 VAL 69 HG13 VAL 69 5.776 -6.159 -9.925 411 HG21 VAL 69 HG21 VAL 69 6.564 -8.898 -7.507 412 HG22 VAL 69 HG22 VAL 69 8.280 -9.018 -7.896 413 HG23 VAL 69 HG23 VAL 69 7.074 -9.619 -9.037 414 H ALA 70 HN ALA 70 9.368 -5.189 -9.348 415 HA ALA 70 HA ALA 70 7.987 -3.320 -11.089 416 HB1 ALA 70 HB1 ALA 70 9.167 -1.601 -9.792 417 HB2 ALA 70 HB2 ALA 70 10.151 -2.849 -9.015 418 HB3 ALA 70 HB3 ALA 70 8.413 -2.785 -8.719 419 H LYS 71 HN LYS 71 10.349 -5.351 -11.811 420 HA LYS 71 HA LYS 71 11.961 -3.576 -13.494 421 HB2 LYS 71 HB2 LYS 71 13.137 -5.368 -12.317 422 HB3 LYS 71 HB1 LYS 71 12.040 -6.578 -12.963 423 HG2 LYS 71 HG2 LYS 71 12.942 -6.224 -15.223 424 HG3 LYS 71 HG1 LYS 71 14.011 -4.956 -14.611 425 HD2 LYS 71 HD2 LYS 71 15.235 -6.585 -13.256 426 HD3 LYS 71 HD1 LYS 71 14.095 -7.862 -13.694 427 HE2 LYS 71 HE2 LYS 71 16.194 -8.057 -14.973 428 HE3 LYS 71 HE1 LYS 71 14.829 -7.725 -16.043 429 HZ1 LYS 71 HZ1 LYS 71 16.721 -6.394 -16.662 430 HZ2 LYS 71 HZ2 LYS 71 16.856 -5.756 -15.104 431 HZ3 LYS 71 HZ3 LYS 71 15.513 -5.378 -16.061 432 H THR 72 HN THR 72 9.227 -5.785 -13.684 433 HA THR 72 HA THR 72 9.241 -5.671 -16.651 434 HB THR 72 HB THR 72 9.884 -7.913 -15.893 435 HG1 THR 72 HG1 THR 72 8.158 -7.418 -17.653 436 HG21 THR 72 HG21 THR 72 7.209 -8.005 -14.447 437 HG22 THR 72 HG22 THR 72 8.795 -7.953 -13.675 438 HG23 THR 72 HG23 THR 72 8.326 -9.357 -14.634 439 H ALA 73 HN ALA 73 7.340 -5.233 -13.767 440 HA ALA 73 HA ALA 73 4.757 -5.270 -15.059 441 HB1 ALA 73 HB1 ALA 73 5.546 -4.138 -12.346 442 HB2 ALA 73 HB2 ALA 73 4.958 -5.775 -12.647 443 HB3 ALA 73 HB3 ALA 73 3.897 -4.394 -12.928 444 H ASN 74 HN ASN 74 3.486 -3.437 -15.596 445 HA ASN 74 HA ASN 74 5.002 -0.924 -16.037 446 HB2 ASN 74 HB2 ASN 74 3.284 -0.324 -17.674 447 HB3 ASN 74 HB1 ASN 74 3.900 -1.930 -18.040 448 HD21 ASN 74 HD21 ASN 74 2.533 -3.720 -17.757 449 HD22 ASN 74 HD22 ASN 74 0.823 -3.551 -17.581 450 H LYS 75 HN LYS 75 3.672 1.125 -15.787 451 HA LYS 75 HA LYS 75 3.043 1.333 -13.005 452 HB2 LYS 75 HB2 LYS 75 4.233 3.072 -14.547 453 HB3 LYS 75 HB1 LYS 75 2.615 3.545 -15.044 454 HG2 LYS 75 HG2 LYS 75 3.289 5.049 -13.302 455 HG3 LYS 75 HG1 LYS 75 2.068 3.968 -12.617 456 HD2 LYS 75 HD2 LYS 75 3.846 2.589 -11.586 457 HD3 LYS 75 HD1 LYS 75 5.083 3.632 -12.295 458 HE2 LYS 75 HE2 LYS 75 3.027 4.434 -10.220 459 HE3 LYS 75 HE1 LYS 75 4.749 4.163 -9.940 460 HZ1 LYS 75 HZ1 LYS 75 3.639 6.250 -11.733 461 HZ2 LYS 75 HZ2 LYS 75 5.264 6.026 -11.330 462 HZ3 LYS 75 HZ3 LYS 75 4.162 6.517 -10.149 463 H ASP 76 HN ASP 76 1.188 1.459 -15.984 464 HA ASP 76 HA ASP 76 -1.266 2.490 -15.031 465 HB2 ASP 76 HB2 ASP 76 -0.577 2.468 -17.430 466 HB3 ASP 76 HB1 ASP 76 -0.724 0.712 -17.456 467 H HIS 77 HN HIS 77 0.023 -0.765 -15.257 468 HA HIS 77 HA HIS 77 -2.184 -2.364 -14.593 469 HB2 HIS 77 HB2 HIS 77 -0.172 -3.442 -15.372 470 HB3 HIS 77 HB1 HIS 77 0.818 -2.666 -14.144 471 HD1 HIS 77 HD1 HIS 77 -1.764 -5.409 -14.520 472 HD2 HIS 77 HD2 HIS 77 1.101 -4.085 -11.822 473 HE1 HIS 77 HE1 HIS 77 -1.639 -7.176 -12.739 474 HE2 HIS 77 HE2 HIS 77 0.282 -6.456 -11.275 475 H LEU 78 HN LEU 78 0.128 -0.594 -12.590 476 HA LEU 78 HA LEU 78 -0.643 -1.681 -10.071 477 HB2 LEU 78 HB2 LEU 78 0.796 0.945 -10.602 478 HB3 LEU 78 HB1 LEU 78 0.772 0.047 -9.084 479 HG LEU 78 HG LEU 78 2.102 -0.819 -11.681 480 HD11 LEU 78 HD11 LEU 78 4.183 -0.606 -10.427 481 HD12 LEU 78 HD12 LEU 78 3.298 -0.026 -9.013 482 HD13 LEU 78 HD13 LEU 78 3.315 0.926 -10.503 483 HD21 LEU 78 HD21 LEU 78 1.174 -2.786 -10.561 484 HD22 LEU 78 HD22 LEU 78 1.956 -2.331 -9.045 485 HD23 LEU 78 HD23 LEU 78 2.932 -2.778 -10.446 486 H VAL 79 HN VAL 79 -1.680 1.106 -11.924 487 HA VAL 79 HA VAL 79 -3.157 2.480 -9.930 488 HB VAL 79 HB VAL 79 -3.663 2.434 -12.947 489 HG11 VAL 79 HG11 VAL 79 -4.465 4.517 -10.868 490 HG12 VAL 79 HG12 VAL 79 -5.559 3.405 -11.695 491 HG13 VAL 79 HG13 VAL 79 -4.721 4.661 -12.609 492 HG21 VAL 79 HG21 VAL 79 -2.215 4.454 -13.066 493 HG22 VAL 79 HG22 VAL 79 -1.324 3.050 -12.469 494 HG23 VAL 79 HG23 VAL 79 -1.864 4.295 -11.342 495 H THR 80 HN THR 80 -4.101 0.122 -12.412 496 HA THR 80 HA THR 80 -6.831 -0.144 -11.773 497 HB THR 80 HB THR 80 -4.977 -2.192 -13.076 498 HG1 THR 80 HG1 THR 80 -5.976 0.190 -13.923 499 HG21 THR 80 HG21 THR 80 -7.110 -3.245 -12.385 500 HG22 THR 80 HG22 THR 80 -7.030 -3.091 -14.144 501 HG23 THR 80 HG23 THR 80 -8.016 -1.973 -13.196 502 H ALA 81 HN ALA 81 -3.988 -2.015 -10.657 503 HA ALA 81 HA ALA 81 -5.366 -3.981 -9.167 504 HB1 ALA 81 HB1 ALA 81 -3.162 -4.461 -8.154 505 HB2 ALA 81 HB2 ALA 81 -2.519 -2.955 -8.819 506 HB3 ALA 81 HB3 ALA 81 -3.025 -4.256 -9.901 507 H TYR 82 HN TYR 82 -3.821 -0.925 -8.248 508 HA TYR 82 HA TYR 82 -4.082 -0.944 -5.489 509 HB2 TYR 82 HB2 TYR 82 -2.734 0.674 -6.753 510 HB3 TYR 82 HB1 TYR 82 -4.176 1.387 -7.454 511 HD1 TYR 82 HD2 TYR 82 -2.144 1.100 -4.378 512 HD2 TYR 82 HD1 TYR 82 -5.499 3.012 -6.196 513 HE1 TYR 82 HE2 TYR 82 -2.181 2.757 -2.585 514 HE2 TYR 82 HE1 TYR 82 -5.511 4.689 -4.407 515 HH TYR 82 HH TYR 82 -4.622 5.261 -2.440 516 H ASN 83 HN ASN 83 -6.292 0.524 -7.882 517 HA ASN 83 HA ASN 83 -8.120 1.521 -5.931 518 HB2 ASN 83 HB2 ASN 83 -8.213 1.346 -8.956 519 HB3 ASN 83 HB1 ASN 83 -9.632 1.863 -8.063 520 HD21 ASN 83 HD21 ASN 83 -6.524 2.809 -9.224 521 HD22 ASN 83 HD22 ASN 83 -6.540 4.421 -8.628 522 H HIS 84 HN HIS 84 -7.947 -1.510 -7.674 523 HA HIS 84 HA HIS 84 -10.637 -2.372 -7.047 524 HB2 HIS 84 HB2 HIS 84 -8.227 -3.780 -8.247 525 HB3 HIS 84 HB1 HIS 84 -9.671 -4.682 -7.798 526 HD1 HIS 84 HD1 HIS 84 -10.703 -5.232 -9.986 527 HD2 HIS 84 HD2 HIS 84 -9.627 -1.229 -9.756 528 HE1 HIS 84 HE1 HIS 84 -11.637 -4.168 -12.058 529 HE2 HIS 84 HE2 HIS 84 -11.099 -1.718 -11.822 530 H LEU 85 HN LEU 85 -7.514 -2.577 -5.400 531 HA LEU 85 HA LEU 85 -7.940 -4.821 -3.748 532 HB2 LEU 85 HB2 LEU 85 -5.744 -3.676 -4.000 533 HB3 LEU 85 HB1 LEU 85 -6.349 -2.293 -3.134 534 HG LEU 85 HG LEU 85 -6.511 -3.592 -1.055 535 HD11 LEU 85 HD11 LEU 85 -5.515 -5.964 -2.644 536 HD12 LEU 85 HD12 LEU 85 -7.113 -5.771 -1.922 537 HD13 LEU 85 HD13 LEU 85 -5.694 -5.899 -0.888 538 HD21 LEU 85 HD21 LEU 85 -4.131 -3.983 -0.617 539 HD22 LEU 85 HD22 LEU 85 -4.373 -2.493 -1.531 540 HD23 LEU 85 HD23 LEU 85 -3.794 -3.945 -2.352 541 H PHE 86 HN PHE 86 -8.476 -1.402 -3.120 542 HA PHE 86 HA PHE 86 -9.561 -1.712 -0.482 543 HB2 PHE 86 HB2 PHE 86 -9.681 0.748 -2.262 544 HB3 PHE 86 HB1 PHE 86 -9.768 0.704 -0.501 545 HD1 PHE 86 HD2 PHE 86 -7.610 -0.219 0.752 546 HD2 PHE 86 HD1 PHE 86 -7.626 1.064 -3.317 547 HE1 PHE 86 HE2 PHE 86 -5.149 0.092 0.804 548 HE2 PHE 86 HE1 PHE 86 -5.206 1.347 -3.233 549 HZ PHE 86 HZ PHE 86 -3.968 0.859 -1.176 550 H GLU 87 HN GLU 87 -10.848 -1.534 -3.710 551 HA GLU 87 HA GLU 87 -13.510 -0.718 -3.099 552 HB2 GLU 87 HB2 GLU 87 -12.369 -0.496 -5.343 553 HB3 GLU 87 HB1 GLU 87 -12.492 -2.237 -5.548 554 HG2 GLU 87 HG2 GLU 87 -14.235 -1.058 -6.803 555 HG3 GLU 87 HG1 GLU 87 -14.931 -2.100 -5.557 556 H THR 88 HN THR 88 -11.904 -3.842 -3.401 557 HA THR 88 HA THR 88 -14.410 -5.329 -2.850 558 HB THR 88 HB THR 88 -13.112 -7.303 -3.716 559 HG1 THR 88 HG1 THR 88 -11.165 -5.861 -4.953 560 HG21 THR 88 HG21 THR 88 -13.180 -4.942 -5.643 561 HG22 THR 88 HG22 THR 88 -14.537 -6.019 -5.294 562 HG23 THR 88 HG23 THR 88 -13.096 -6.647 -6.097 563 H LYS 89 HN LYS 89 -11.800 -4.093 -1.211 564 HA LYS 89 HA LYS 89 -10.987 -4.302 0.891 565 HB2 LYS 89 HB2 LYS 89 -13.322 -6.204 1.375 566 HB3 LYS 89 HB1 LYS 89 -12.381 -5.384 2.620 567 HG2 LYS 89 HG2 LYS 89 -14.202 -4.056 0.579 568 HG3 LYS 89 HG1 LYS 89 -14.564 -4.321 2.289 569 HD2 LYS 89 HD2 LYS 89 -12.738 -2.792 2.929 570 HD3 LYS 89 HD1 LYS 89 -12.307 -2.571 1.224 571 HE2 LYS 89 HE2 LYS 89 -14.575 -1.602 0.820 572 HE3 LYS 89 HE1 LYS 89 -14.921 -1.756 2.547 573 HZ1 LYS 89 HZ1 LYS 89 -12.752 -0.129 1.351 574 HZ2 LYS 89 HZ2 LYS 89 -13.094 -0.258 3.004 575 HZ3 LYS 89 HZ3 LYS 89 -14.213 0.466 1.960 576 H ARG 90 HN ARG 90 -10.005 -6.125 -1.176 577 HA ARG 90 HA ARG 90 -9.726 -8.805 -0.180 578 HB2 ARG 90 HB2 ARG 90 -8.486 -7.321 -2.506 579 HB3 ARG 90 HB1 ARG 90 -8.054 -8.993 -2.134 580 HG2 ARG 90 HG2 ARG 90 -10.391 -9.678 -2.414 581 HG3 ARG 90 HG1 ARG 90 -10.850 -8.009 -2.779 582 HD2 ARG 90 HD2 ARG 90 -9.442 -7.998 -4.756 583 HD3 ARG 90 HD1 ARG 90 -8.824 -9.609 -4.348 584 HE ARG 90 HE ARG 90 -11.711 -9.193 -4.875 585 HH11 ARG 90 HH11 ARG 90 -8.695 -10.743 -5.785 586 HH12 ARG 90 HH12 ARG 90 -9.438 -11.817 -6.923 587 HH21 ARG 90 HH21 ARG 90 -12.689 -10.614 -6.355 588 HH22 ARG 90 HH22 ARG 90 -11.726 -11.766 -7.228 589 H PHE 91 HN PHE 91 -8.182 -6.131 0.882 590 HA PHE 91 HA PHE 91 -5.603 -7.222 1.386 591 HB2 PHE 91 HB2 PHE 91 -5.553 -5.436 3.299 592 HB3 PHE 91 HB1 PHE 91 -5.522 -4.943 1.620 593 HD1 PHE 91 HD2 PHE 91 -7.768 -5.244 4.584 594 HD2 PHE 91 HD1 PHE 91 -7.126 -3.457 0.754 595 HE1 PHE 91 HE2 PHE 91 -9.640 -3.704 4.988 596 HE2 PHE 91 HE1 PHE 91 -9.005 -1.920 1.172 597 HZ PHE 91 HZ PHE 91 -10.265 -2.046 3.281 598 H LYS 92 HN LYS 92 -4.759 -8.184 3.059 599 HA LYS 92 HA LYS 92 -5.762 -10.370 4.159 600 HB2 LYS 92 HB2 LYS 92 -3.296 -9.257 4.092 601 HB3 LYS 92 HB1 LYS 92 -3.645 -8.945 5.780 602 HG2 LYS 92 HG2 LYS 92 -2.398 -10.993 5.625 603 HG3 LYS 92 HG1 LYS 92 -4.052 -11.405 6.105 604 HD2 LYS 92 HD2 LYS 92 -4.586 -12.065 3.797 605 HD3 LYS 92 HD1 LYS 92 -2.991 -11.548 3.249 606 HE2 LYS 92 HE2 LYS 92 -3.094 -13.981 3.460 607 HE3 LYS 92 HE1 LYS 92 -1.946 -13.314 4.620 608 HZ1 LYS 92 HZ1 LYS 92 -4.735 -14.131 5.246 609 HZ2 LYS 92 HZ2 LYS 92 -3.595 -13.548 6.347 610 HZ3 LYS 92 HZ3 LYS 92 -3.348 -15.032 5.586 Start of MODEL 5 1 H MET 20 H MET 20 -3.927 -11.311 7.290 2 HA MET 20 HA MET 20 -5.555 -9.573 7.551 3 HB2 MET 20 HB2 MET 20 -5.848 -11.833 9.586 4 HB3 MET 20 HB1 MET 20 -7.169 -10.840 8.982 5 HG2 MET 20 HG2 MET 20 -6.769 -11.694 6.713 6 HG3 MET 20 HG1 MET 20 -5.462 -12.709 7.330 7 HE1 MET 20 HE1 MET 20 -8.432 -15.196 6.424 8 HE2 MET 20 HE2 MET 20 -6.744 -14.804 6.099 9 HE3 MET 20 HE3 MET 20 -8.021 -13.695 5.592 10 H ALA 21 HN ALA 21 -5.419 -7.565 8.401 11 HA ALA 21 HA ALA 21 -4.450 -7.205 11.172 12 HB1 ALA 21 HB1 ALA 21 -4.469 -5.204 8.884 13 HB2 ALA 21 HB2 ALA 21 -3.080 -6.170 9.385 14 HB3 ALA 21 HB3 ALA 21 -3.753 -4.963 10.481 15 H ALA 22 HN ALA 22 -7.349 -7.599 10.001 16 HA ALA 22 HA ALA 22 -9.431 -7.236 10.765 17 HB1 ALA 22 HB1 ALA 22 -8.468 -7.001 13.014 18 HB2 ALA 22 HB2 ALA 22 -9.902 -5.988 12.801 19 HB3 ALA 22 HB3 ALA 22 -8.283 -5.271 12.762 20 H ALA 23 HN ALA 23 -7.765 -4.105 10.634 21 HA ALA 23 HA ALA 23 -10.128 -2.675 9.769 22 HB1 ALA 23 HB1 ALA 23 -8.695 -0.683 9.939 23 HB2 ALA 23 HB2 ALA 23 -7.272 -1.710 10.150 24 HB3 ALA 23 HB3 ALA 23 -8.536 -1.687 11.380 25 H VAL 24 HN VAL 24 -10.011 -1.168 7.922 26 HA VAL 24 HA VAL 24 -9.008 -2.335 5.470 27 HB VAL 24 HB VAL 24 -10.652 0.159 6.091 28 HG11 VAL 24 HG11 VAL 24 -9.777 -0.804 3.343 29 HG12 VAL 24 HG12 VAL 24 -9.317 0.708 4.123 30 HG13 VAL 24 HG13 VAL 24 -10.991 0.445 3.637 31 HG21 VAL 24 HG21 VAL 24 -11.424 -2.438 4.696 32 HG22 VAL 24 HG22 VAL 24 -12.500 -1.069 4.999 33 HG23 VAL 24 HG23 VAL 24 -11.843 -1.992 6.353 34 HA PRO 25 HA PRO 25 -5.011 -0.027 5.716 35 HB2 PRO 25 HB2 PRO 25 -5.140 -0.780 2.796 36 HB3 PRO 25 HB1 PRO 25 -3.789 -0.921 3.934 37 HG2 PRO 25 HG2 PRO 25 -5.202 -3.073 3.233 38 HG3 PRO 25 HG1 PRO 25 -4.651 -2.865 4.909 39 HD2 PRO 25 HD2 PRO 25 -7.393 -2.482 3.750 40 HD3 PRO 25 HD1 PRO 25 -6.920 -3.116 5.343 41 H GLN 26 HN GLN 26 -5.097 2.153 5.729 42 HA GLN 26 HA GLN 26 -6.770 3.721 4.032 43 HB2 GLN 26 HB2 GLN 26 -5.862 5.688 5.084 44 HB3 GLN 26 HB1 GLN 26 -6.068 4.480 6.335 45 HG2 GLN 26 HG2 GLN 26 -3.424 5.234 5.053 46 HG3 GLN 26 HG1 GLN 26 -4.012 5.846 6.596 47 HE21 GLN 26 HE21 GLN 26 -1.560 4.363 5.992 48 HE22 GLN 26 HE22 GLN 26 -1.595 2.953 6.985 49 H ARG 27 HN ARG 27 -6.430 3.959 1.938 50 HA ARG 27 HA ARG 27 -3.997 3.583 0.584 51 HB2 ARG 27 HB2 ARG 27 -5.039 4.689 -1.381 52 HB3 ARG 27 HB1 ARG 27 -5.981 3.372 -0.718 53 HG2 ARG 27 HG2 ARG 27 -6.641 6.220 0.017 54 HG3 ARG 27 HG1 ARG 27 -7.162 5.549 -1.518 55 HD2 ARG 27 HD2 ARG 27 -8.274 3.687 -0.237 56 HD3 ARG 27 HD1 ARG 27 -7.880 4.556 1.249 57 HE ARG 27 HE ARG 27 -9.613 5.638 -0.902 58 HH11 ARG 27 HH11 ARG 27 -8.910 5.312 2.537 59 HH12 ARG 27 HH12 ARG 27 -10.310 6.206 3.022 60 HH21 ARG 27 HH21 ARG 27 -11.433 6.804 -0.233 61 HH22 ARG 27 HH22 ARG 27 -11.738 7.042 1.454 62 H ALA 28 HN ALA 28 -2.346 4.824 0.342 63 HA ALA 28 HA ALA 28 -2.113 7.313 1.803 64 HB1 ALA 28 HB1 ALA 28 0.294 7.128 1.307 65 HB2 ALA 28 HB2 ALA 28 -0.021 5.777 0.215 66 HB3 ALA 28 HB3 ALA 28 -0.336 5.606 1.942 67 H TRP 29 HN TRP 29 -2.258 6.261 -1.527 68 HA TRP 29 HA TRP 29 -1.707 8.987 -2.550 69 HB2 TRP 29 HB2 TRP 29 -1.346 6.366 -4.071 70 HB3 TRP 29 HB1 TRP 29 -0.785 7.968 -4.549 71 HD1 TRP 29 HD1 TRP 29 1.041 9.036 -2.503 72 HE1 TRP 29 HE1 TRP 29 3.049 7.777 -1.509 73 HE3 TRP 29 HE3 TRP 29 -0.341 4.254 -3.650 74 HZ2 TRP 29 HZ2 TRP 29 3.943 5.129 -1.259 75 HZ3 TRP 29 HZ3 TRP 29 1.154 2.413 -3.010 76 HH2 TRP 29 HH2 TRP 29 3.258 2.842 -1.837 77 H THR 30 HN THR 30 -3.095 9.862 -4.011 78 HA THR 30 HA THR 30 -5.576 8.449 -4.738 79 HB THR 30 HB THR 30 -6.216 10.683 -5.729 80 HG1 THR 30 HG1 THR 30 -4.756 12.470 -5.019 81 HG21 THR 30 HG21 THR 30 -6.858 10.162 -3.398 82 HG22 THR 30 HG22 THR 30 -6.500 11.879 -3.580 83 HG23 THR 30 HG23 THR 30 -5.319 10.813 -2.820 84 H VAL 31 HN VAL 31 -6.210 9.021 -7.204 85 HA VAL 31 HA VAL 31 -4.581 7.333 -8.749 86 HB VAL 31 HB VAL 31 -6.966 7.554 -9.196 87 HG11 VAL 31 HG11 VAL 31 -7.957 9.513 -10.313 88 HG12 VAL 31 HG12 VAL 31 -6.410 10.357 -10.211 89 HG13 VAL 31 HG13 VAL 31 -7.284 9.939 -8.736 90 HG21 VAL 31 HG21 VAL 31 -5.561 6.716 -11.041 91 HG22 VAL 31 HG22 VAL 31 -5.339 8.360 -11.647 92 HG23 VAL 31 HG23 VAL 31 -6.940 7.618 -11.670 93 H GLU 32 HN GLU 32 -4.684 10.876 -8.617 94 HA GLU 32 HA GLU 32 -2.932 11.438 -10.768 95 HB2 GLU 32 HB2 GLU 32 -2.651 13.685 -9.686 96 HB3 GLU 32 HB1 GLU 32 -4.335 13.210 -9.879 97 HG2 GLU 32 HG2 GLU 32 -4.518 12.653 -7.539 98 HG3 GLU 32 HG1 GLU 32 -2.790 12.896 -7.293 99 H GLN 33 HN GLN 33 -2.303 10.916 -7.286 100 HA GLN 33 HA GLN 33 0.482 11.422 -7.303 101 HB2 GLN 33 HB2 GLN 33 -1.050 9.516 -5.491 102 HB3 GLN 33 HB1 GLN 33 0.528 10.220 -5.155 103 HG2 GLN 33 HG2 GLN 33 -2.059 11.765 -5.419 104 HG3 GLN 33 HG1 GLN 33 -1.313 11.281 -3.899 105 HE21 GLN 33 HE21 GLN 33 0.623 12.302 -3.244 106 HE22 GLN 33 HE22 GLN 33 1.094 13.833 -3.895 107 H LEU 34 HN LEU 34 -1.428 8.522 -7.852 108 HA LEU 34 HA LEU 34 0.611 6.566 -7.868 109 HB2 LEU 34 HB2 LEU 34 -2.130 6.612 -9.165 110 HB3 LEU 34 HB1 LEU 34 -1.108 5.181 -9.128 111 HG LEU 34 HG LEU 34 -2.083 6.577 -6.610 112 HD11 LEU 34 HD11 LEU 34 -4.007 5.823 -7.913 113 HD12 LEU 34 HD12 LEU 34 -3.806 4.867 -6.450 114 HD13 LEU 34 HD13 LEU 34 -3.325 4.196 -8.011 115 HD21 LEU 34 HD21 LEU 34 -0.074 5.173 -6.318 116 HD22 LEU 34 HD22 LEU 34 -0.920 3.797 -7.033 117 HD23 LEU 34 HD23 LEU 34 -1.472 4.478 -5.500 118 H ARG 35 HN ARG 35 -1.012 8.337 -10.517 119 HA ARG 35 HA ARG 35 0.393 6.991 -12.625 120 HB2 ARG 35 HB2 ARG 35 -0.800 8.439 -14.148 121 HB3 ARG 35 HB1 ARG 35 -1.918 7.959 -12.877 122 HG2 ARG 35 HG2 ARG 35 -1.722 10.133 -11.806 123 HG3 ARG 35 HG1 ARG 35 -0.470 10.630 -12.943 124 HD2 ARG 35 HD2 ARG 35 -2.568 11.654 -13.583 125 HD3 ARG 35 HD1 ARG 35 -2.125 10.452 -14.799 126 HE ARG 35 HE ARG 35 -4.111 9.931 -12.660 127 HH11 ARG 35 HH11 ARG 35 -3.190 9.746 -16.052 128 HH12 ARG 35 HH12 ARG 35 -4.681 9.004 -16.528 129 HH21 ARG 35 HH21 ARG 35 -6.063 8.983 -13.320 130 HH22 ARG 35 HH22 ARG 35 -6.305 8.586 -14.991 131 H SER 36 HN SER 36 1.203 9.609 -10.575 132 HA SER 36 HA SER 36 2.809 11.174 -12.347 133 HB2 SER 36 HB2 SER 36 1.814 11.975 -10.151 134 HB3 SER 36 HB1 SER 36 3.011 11.000 -9.302 135 HG SER 36 HG SER 36 3.431 13.237 -10.982 136 H GLU 37 HN GLU 37 4.800 10.706 -13.107 137 HA GLU 37 HA GLU 37 6.024 8.188 -12.740 138 HB2 GLU 37 HB2 GLU 37 7.056 10.710 -14.090 139 HB3 GLU 37 HB1 GLU 37 7.886 9.160 -14.161 140 HG2 GLU 37 HG2 GLU 37 5.105 9.730 -15.233 141 HG3 GLU 37 HG1 GLU 37 6.578 9.610 -16.193 142 H GLN 38 HN GLN 38 6.477 11.171 -11.024 143 HA GLN 38 HA GLN 38 9.137 10.765 -10.074 144 HB2 GLN 38 HB2 GLN 38 8.647 12.579 -8.487 145 HB3 GLN 38 HB1 GLN 38 8.067 12.982 -10.098 146 HG2 GLN 38 HG2 GLN 38 5.759 12.280 -9.359 147 HG3 GLN 38 HG1 GLN 38 6.390 12.105 -7.724 148 HE21 GLN 38 HE21 GLN 38 4.305 13.911 -8.748 149 HE22 GLN 38 HE22 GLN 38 4.817 15.513 -8.355 150 H LEU 39 HN LEU 39 6.065 9.440 -9.112 151 HA LEU 39 HA LEU 39 6.955 8.435 -6.529 152 HB2 LEU 39 HB2 LEU 39 4.492 8.984 -7.381 153 HB3 LEU 39 HB1 LEU 39 4.548 7.359 -8.030 154 HG LEU 39 HG LEU 39 4.792 8.116 -5.085 155 HD11 LEU 39 HD11 LEU 39 2.527 8.422 -5.917 156 HD12 LEU 39 HD12 LEU 39 2.604 7.069 -4.794 157 HD13 LEU 39 HD13 LEU 39 2.497 6.764 -6.532 158 HD21 LEU 39 HD21 LEU 39 4.638 5.715 -4.554 159 HD22 LEU 39 HD22 LEU 39 6.095 6.084 -5.470 160 HD23 LEU 39 HD23 LEU 39 4.725 5.319 -6.274 161 HA PRO 40 HA PRO 40 9.205 4.946 -8.566 162 HB2 PRO 40 HB2 PRO 40 9.083 3.877 -5.748 163 HB3 PRO 40 HB1 PRO 40 10.466 4.006 -6.842 164 HG2 PRO 40 HG2 PRO 40 10.198 5.717 -4.812 165 HG3 PRO 40 HG1 PRO 40 10.778 6.285 -6.395 166 HD2 PRO 40 HD2 PRO 40 8.037 6.567 -5.163 167 HD3 PRO 40 HD1 PRO 40 8.976 7.746 -6.115 168 H LYS 41 HN LYS 41 8.172 3.384 -9.659 169 HA LYS 41 HA LYS 41 5.528 2.546 -9.243 170 HB2 LYS 41 HB2 LYS 41 5.917 0.916 -11.005 171 HB3 LYS 41 HB1 LYS 41 6.738 2.415 -11.417 172 HG2 LYS 41 HG2 LYS 41 8.895 1.435 -10.731 173 HG3 LYS 41 HG1 LYS 41 8.080 -0.058 -10.263 174 HD2 LYS 41 HD2 LYS 41 9.097 -0.375 -12.449 175 HD3 LYS 41 HD1 LYS 41 7.341 -0.363 -12.636 176 HE2 LYS 41 HE2 LYS 41 8.379 0.926 -14.420 177 HE3 LYS 41 HE1 LYS 41 7.466 2.007 -13.368 178 HZ1 LYS 41 HZ1 LYS 41 10.408 1.611 -13.357 179 HZ2 LYS 41 HZ2 LYS 41 9.562 2.593 -12.271 180 HZ3 LYS 41 HZ3 LYS 41 9.574 2.973 -13.915 181 H LYS 42 HN LYS 42 8.554 1.186 -8.143 182 HA LYS 42 HA LYS 42 7.667 -1.319 -7.184 183 HB2 LYS 42 HB2 LYS 42 9.838 -1.339 -5.955 184 HB3 LYS 42 HB1 LYS 42 10.008 -0.898 -7.650 185 HG2 LYS 42 HG2 LYS 42 10.188 1.486 -7.022 186 HG3 LYS 42 HG1 LYS 42 10.033 1.051 -5.316 187 HD2 LYS 42 HD2 LYS 42 12.271 0.177 -7.186 188 HD3 LYS 42 HD1 LYS 42 12.389 1.444 -5.962 189 HE2 LYS 42 HE2 LYS 42 11.971 -0.258 -4.191 190 HE3 LYS 42 HE1 LYS 42 11.885 -1.512 -5.432 191 HZ1 LYS 42 HZ1 LYS 42 14.155 -1.116 -5.992 192 HZ2 LYS 42 HZ2 LYS 42 14.051 -1.356 -4.320 193 HZ3 LYS 42 HZ3 LYS 42 14.249 0.201 -4.939 194 H ASP 43 HN ASP 43 7.707 1.878 -5.762 195 HA ASP 43 HA ASP 43 7.367 1.158 -3.022 196 HB2 ASP 43 HB2 ASP 43 8.270 3.367 -3.833 197 HB3 ASP 43 HB1 ASP 43 6.660 3.781 -4.415 198 H ILE 44 HN ILE 44 5.169 1.798 -5.696 199 HA ILE 44 HA ILE 44 2.709 1.737 -4.226 200 HB ILE 44 HB ILE 44 3.106 1.098 -7.187 201 HG12 ILE 44 HG12 ILE 44 2.459 3.790 -5.893 202 HG13 ILE 44 HG11 ILE 44 4.013 3.352 -6.592 203 HG21 ILE 44 HG21 ILE 44 0.596 1.949 -5.681 204 HG22 ILE 44 HG22 ILE 44 0.910 0.351 -6.360 205 HG23 ILE 44 HG23 ILE 44 0.711 1.735 -7.432 206 HD11 ILE 44 HD11 ILE 44 2.741 4.778 -8.082 207 HD12 ILE 44 HD12 ILE 44 1.409 3.624 -8.100 208 HD13 ILE 44 HD13 ILE 44 2.968 3.187 -8.803 209 H ILE 45 HN ILE 45 4.502 -0.690 -6.128 210 HA ILE 45 HA ILE 45 2.836 -2.927 -5.771 211 HB ILE 45 HB ILE 45 5.880 -2.848 -6.015 212 HG12 ILE 45 HG12 ILE 45 3.821 -3.269 -8.225 213 HG13 ILE 45 HG11 ILE 45 4.557 -1.713 -7.867 214 HG21 ILE 45 HG21 ILE 45 5.747 -5.169 -6.862 215 HG22 ILE 45 HG22 ILE 45 4.011 -5.194 -6.548 216 HG23 ILE 45 HG23 ILE 45 5.147 -5.059 -5.205 217 HD11 ILE 45 HD11 ILE 45 6.033 -4.176 -8.776 218 HD12 ILE 45 HD12 ILE 45 6.747 -2.596 -8.456 219 HD13 ILE 45 HD13 ILE 45 5.591 -2.792 -9.773 220 H LYS 46 HN LYS 46 5.330 -1.544 -3.695 221 HA LYS 46 HA LYS 46 5.497 -3.613 -1.776 222 HB2 LYS 46 HB2 LYS 46 7.203 -1.821 -2.053 223 HB3 LYS 46 HB1 LYS 46 6.059 -0.649 -1.408 224 HG2 LYS 46 HG2 LYS 46 6.043 -1.810 0.753 225 HG3 LYS 46 HG1 LYS 46 7.119 -3.056 0.110 226 HD2 LYS 46 HD2 LYS 46 8.879 -1.332 -0.227 227 HD3 LYS 46 HD1 LYS 46 7.797 -0.111 0.450 228 HE2 LYS 46 HE2 LYS 46 7.791 -1.265 2.606 229 HE3 LYS 46 HE1 LYS 46 8.774 -2.569 1.943 230 HZ1 LYS 46 HZ1 LYS 46 10.562 -1.008 1.593 231 HZ2 LYS 46 HZ2 LYS 46 10.089 -1.007 3.215 232 HZ3 LYS 46 HZ3 LYS 46 9.620 0.260 2.201 233 H PHE 47 HN PHE 47 3.534 -0.628 -1.907 234 HA PHE 47 HA PHE 47 2.069 -0.859 0.482 235 HB2 PHE 47 HB2 PHE 47 1.845 1.178 -0.770 236 HB3 PHE 47 HB1 PHE 47 1.390 0.325 -2.236 237 HD1 PHE 47 HD2 PHE 47 0.118 0.697 1.266 238 HD2 PHE 47 HD1 PHE 47 -0.879 0.508 -2.868 239 HE1 PHE 47 HE2 PHE 47 -2.251 1.049 1.834 240 HE2 PHE 47 HE1 PHE 47 -3.257 0.846 -2.309 241 HZ PHE 47 HZ PHE 47 -3.948 1.109 0.050 242 H LEU 48 HN LEU 48 1.462 -2.168 -2.718 243 HA LEU 48 HA LEU 48 -1.070 -3.301 -2.206 244 HB2 LEU 48 HB2 LEU 48 0.940 -3.832 -4.415 245 HB3 LEU 48 HB1 LEU 48 -0.708 -4.439 -4.419 246 HG LEU 48 HG LEU 48 0.059 -1.493 -4.431 247 HD11 LEU 48 HD11 LEU 48 -0.758 -1.461 -6.756 248 HD12 LEU 48 HD12 LEU 48 -0.994 -3.210 -6.700 249 HD13 LEU 48 HD13 LEU 48 0.630 -2.531 -6.556 250 HD21 LEU 48 HD21 LEU 48 -2.333 -1.055 -4.848 251 HD22 LEU 48 HD22 LEU 48 -2.069 -1.822 -3.286 252 HD23 LEU 48 HD23 LEU 48 -2.690 -2.774 -4.642 253 H GLN 49 HN GLN 49 2.223 -4.676 -1.987 254 HA GLN 49 HA GLN 49 1.182 -7.347 -1.503 255 HB2 GLN 49 HB2 GLN 49 3.428 -8.153 -1.371 256 HB3 GLN 49 HB1 GLN 49 3.333 -7.054 -2.741 257 HG2 GLN 49 HG2 GLN 49 4.489 -5.321 -1.499 258 HG3 GLN 49 HG1 GLN 49 4.460 -6.296 -0.032 259 HE21 GLN 49 HE21 GLN 49 5.200 -7.577 -3.254 260 HE22 GLN 49 HE22 GLN 49 6.852 -7.940 -2.925 261 H GLU 50 HN GLU 50 2.390 -4.674 0.394 262 HA GLU 50 HA GLU 50 2.784 -6.055 2.852 263 HB2 GLU 50 HB2 GLU 50 3.819 -3.877 2.376 264 HB3 GLU 50 HB1 GLU 50 2.240 -3.110 2.272 265 HG2 GLU 50 HG2 GLU 50 1.882 -3.477 4.674 266 HG3 GLU 50 HG1 GLU 50 3.424 -4.333 4.789 267 H HIS 51 HN HIS 51 -0.008 -4.507 1.376 268 HA HIS 51 HA HIS 51 -1.624 -4.858 3.840 269 HB2 HIS 51 HB2 HIS 51 -1.923 -2.907 1.521 270 HB3 HIS 51 HB1 HIS 51 -3.092 -3.077 2.824 271 HD1 HIS 51 HD1 HIS 51 -2.256 -2.423 5.250 272 HD2 HIS 51 HD2 HIS 51 0.295 -1.352 2.154 273 HE1 HIS 51 HE1 HIS 51 -0.633 -0.801 6.252 274 HE2 HIS 51 HE2 HIS 51 1.002 -0.297 4.406 275 H GLY 52 HN GLY 52 -1.725 -5.276 0.298 276 HA2 GLY 52 HA2 GLY 52 -4.216 -6.554 0.078 277 HA3 GLY 52 HA1 GLY 52 -2.873 -6.713 -1.046 278 H SER 53 HN SER 53 -4.881 -8.627 0.309 279 HA SER 53 HA SER 53 -3.350 -10.458 1.902 280 HB2 SER 53 HB2 SER 53 -5.884 -10.121 1.998 281 HB3 SER 53 HB1 SER 53 -6.000 -11.004 0.485 282 HG SER 53 HG SER 53 -5.711 -11.906 3.007 283 H ASP 54 HN ASP 54 -3.400 -12.887 1.175 284 HA ASP 54 HA ASP 54 -1.488 -13.287 -0.825 285 HB2 ASP 54 HB2 ASP 54 -3.504 -15.293 0.281 286 HB3 ASP 54 HB1 ASP 54 -2.060 -15.727 -0.624 287 H SER 55 HN SER 55 -4.995 -13.551 -0.952 288 HA SER 55 HA SER 55 -5.340 -14.703 -3.504 289 HB2 SER 55 HB2 SER 55 -7.093 -14.581 -1.719 290 HB3 SER 55 HB1 SER 55 -7.239 -12.848 -1.998 291 HG SER 55 HG SER 55 -8.161 -14.989 -3.491 292 H PHE 56 HN PHE 56 -4.864 -11.369 -2.483 293 HA PHE 56 HA PHE 56 -5.485 -10.128 -5.008 294 HB2 PHE 56 HB2 PHE 56 -5.644 -8.900 -2.861 295 HB3 PHE 56 HB1 PHE 56 -3.918 -9.105 -2.598 296 HD1 PHE 56 HD1 PHE 56 -6.136 -7.850 -5.377 297 HD2 PHE 56 HD2 PHE 56 -2.672 -7.156 -2.969 298 HE1 PHE 56 HE1 PHE 56 -5.731 -5.728 -6.550 299 HE2 PHE 56 HE2 PHE 56 -2.281 -5.046 -4.155 300 HZ PHE 56 HZ PHE 56 -3.799 -4.330 -5.944 301 H LEU 57 HN LEU 57 -2.573 -11.310 -3.386 302 HA LEU 57 HA LEU 57 -0.727 -9.884 -5.061 303 HB2 LEU 57 HB2 LEU 57 -0.131 -12.150 -3.128 304 HB3 LEU 57 HB1 LEU 57 1.032 -11.016 -3.807 305 HG LEU 57 HG LEU 57 -1.094 -10.490 -1.724 306 HD11 LEU 57 HD11 LEU 57 1.029 -11.340 -0.903 307 HD12 LEU 57 HD12 LEU 57 0.742 -9.688 -0.363 308 HD13 LEU 57 HD13 LEU 57 1.883 -10.003 -1.678 309 HD21 LEU 57 HD21 LEU 57 -0.575 -8.100 -1.833 310 HD22 LEU 57 HD22 LEU 57 -1.308 -8.676 -3.322 311 HD23 LEU 57 HD23 LEU 57 0.432 -8.371 -3.259 312 H ALA 58 HN ALA 58 -1.610 -13.331 -4.764 313 HA ALA 58 HA ALA 58 0.206 -14.368 -6.647 314 HB1 ALA 58 HB1 ALA 58 -0.958 -15.766 -4.982 315 HB2 ALA 58 HB2 ALA 58 -1.212 -16.388 -6.614 316 HB3 ALA 58 HB3 ALA 58 -2.494 -15.483 -5.802 317 H GLU 59 HN GLU 59 -3.223 -13.435 -7.031 318 HA GLU 59 HA GLU 59 -3.567 -14.123 -9.729 319 HB2 GLU 59 HB2 GLU 59 -5.000 -11.953 -8.138 320 HB3 GLU 59 HB1 GLU 59 -5.545 -12.600 -9.691 321 HG2 GLU 59 HG2 GLU 59 -5.311 -14.117 -7.073 322 HG3 GLU 59 HG1 GLU 59 -6.798 -13.584 -7.850 323 H HIS 60 HN HIS 60 -2.066 -11.252 -8.348 324 HA HIS 60 HA HIS 60 -1.913 -9.970 -11.031 325 HB2 HIS 60 HB2 HIS 60 -1.801 -8.645 -8.286 326 HB3 HIS 60 HB1 HIS 60 -1.697 -7.806 -9.840 327 HD1 HIS 60 HD1 HIS 60 -4.032 -8.266 -7.314 328 HD2 HIS 60 HD2 HIS 60 -4.239 -8.755 -11.432 329 HE1 HIS 60 HE1 HIS 60 -6.479 -8.134 -7.887 330 HE2 HIS 60 HE2 HIS 60 -6.561 -8.352 -10.396 331 H LYS 61 HN LYS 61 -0.086 -11.754 -8.994 332 HA LYS 61 HA LYS 61 2.104 -12.193 -8.649 333 HB2 LYS 61 HB2 LYS 61 2.391 -10.808 -11.348 334 HB3 LYS 61 HB1 LYS 61 3.646 -11.790 -10.591 335 HG2 LYS 61 HG2 LYS 61 0.898 -12.785 -11.434 336 HG3 LYS 61 HG1 LYS 61 2.397 -13.017 -12.343 337 HD2 LYS 61 HD2 LYS 61 3.327 -14.350 -10.471 338 HD3 LYS 61 HD1 LYS 61 1.839 -14.103 -9.544 339 HE2 LYS 61 HE2 LYS 61 0.564 -15.342 -11.239 340 HE3 LYS 61 HE1 LYS 61 2.022 -15.539 -12.216 341 HZ1 LYS 61 HZ1 LYS 61 1.622 -16.620 -9.486 342 HZ2 LYS 61 HZ2 LYS 61 3.003 -16.823 -10.442 343 HZ3 LYS 61 HZ3 LYS 61 1.537 -17.508 -10.923 344 H LEU 62 HN LEU 62 1.275 -10.066 -7.212 345 HA LEU 62 HA LEU 62 3.298 -7.937 -7.333 346 HB2 LEU 62 HB2 LEU 62 0.799 -8.254 -5.619 347 HB3 LEU 62 HB1 LEU 62 1.881 -6.866 -5.549 348 HG LEU 62 HG LEU 62 0.331 -7.697 -8.038 349 HD11 LEU 62 HD11 LEU 62 -0.343 -5.490 -6.077 350 HD12 LEU 62 HD12 LEU 62 -1.231 -6.998 -6.304 351 HD13 LEU 62 HD13 LEU 62 -1.161 -5.814 -7.607 352 HD21 LEU 62 HD21 LEU 62 0.957 -5.484 -8.923 353 HD22 LEU 62 HD22 LEU 62 2.382 -6.455 -8.568 354 HD23 LEU 62 HD23 LEU 62 1.908 -5.155 -7.471 355 H LEU 63 HN LEU 63 2.824 -10.926 -5.766 356 HA LEU 63 HA LEU 63 4.278 -10.312 -3.334 357 HB2 LEU 63 HB2 LEU 63 4.246 -12.893 -3.047 358 HB3 LEU 63 HB1 LEU 63 2.743 -12.005 -2.937 359 HG LEU 63 HG LEU 63 2.151 -12.733 -5.258 360 HD11 LEU 63 HD11 LEU 63 4.611 -14.493 -5.126 361 HD12 LEU 63 HD12 LEU 63 4.334 -13.147 -6.233 362 HD13 LEU 63 HD13 LEU 63 3.331 -14.590 -6.341 363 HD21 LEU 63 HD21 LEU 63 1.291 -13.925 -3.299 364 HD22 LEU 63 HD22 LEU 63 2.692 -15.001 -3.320 365 HD23 LEU 63 HD23 LEU 63 1.537 -15.025 -4.656 366 H GLY 64 HN GLY 64 6.144 -11.794 -2.753 367 HA2 GLY 64 HA2 GLY 64 8.192 -12.785 -3.173 368 HA3 GLY 64 HA1 GLY 64 7.966 -12.525 -4.898 369 H ASN 65 HN ASN 65 10.133 -11.768 -5.050 370 HA ASN 65 HA ASN 65 11.092 -9.425 -3.713 371 HB2 ASN 65 HB2 ASN 65 12.011 -10.654 -6.348 372 HB3 ASN 65 HB1 ASN 65 12.886 -9.438 -5.426 373 HD21 ASN 65 HD21 ASN 65 12.260 -10.738 -2.808 374 HD22 ASN 65 HD22 ASN 65 13.268 -12.134 -2.754 375 H ILE 66 HN ILE 66 10.386 -7.436 -4.024 376 HA ILE 66 HA ILE 66 8.391 -6.621 -5.786 377 HB ILE 66 HB ILE 66 10.473 -4.814 -4.461 378 HG12 ILE 66 HG12 ILE 66 7.755 -5.682 -3.371 379 HG13 ILE 66 HG11 ILE 66 9.302 -6.331 -2.841 380 HG21 ILE 66 HG21 ILE 66 9.209 -3.605 -6.184 381 HG22 ILE 66 HG22 ILE 66 8.759 -3.030 -4.582 382 HG23 ILE 66 HG23 ILE 66 7.681 -4.118 -5.457 383 HD11 ILE 66 HD11 ILE 66 8.411 -4.687 -1.282 384 HD12 ILE 66 HD12 ILE 66 8.416 -3.462 -2.550 385 HD13 ILE 66 HD13 ILE 66 9.939 -4.147 -1.976 386 H LYS 67 HN LYS 67 11.917 -6.358 -6.093 387 HA LYS 67 HA LYS 67 12.215 -4.770 -8.345 388 HB2 LYS 67 HB2 LYS 67 14.398 -5.991 -8.685 389 HB3 LYS 67 HB1 LYS 67 14.148 -5.395 -7.046 390 HG2 LYS 67 HG2 LYS 67 13.514 -7.652 -6.297 391 HG3 LYS 67 HG1 LYS 67 13.700 -8.267 -7.944 392 HD2 LYS 67 HD2 LYS 67 16.106 -7.781 -7.877 393 HD3 LYS 67 HD1 LYS 67 15.944 -7.069 -6.267 394 HE2 LYS 67 HE2 LYS 67 15.207 -9.282 -5.393 395 HE3 LYS 67 HE1 LYS 67 15.419 -9.972 -7.005 396 HZ1 LYS 67 HZ1 LYS 67 17.743 -9.552 -6.890 397 HZ2 LYS 67 HZ2 LYS 67 17.290 -10.369 -5.477 398 HZ3 LYS 67 HZ3 LYS 67 17.586 -8.703 -5.439 399 H ASN 68 HN ASN 68 11.618 -8.291 -8.226 400 HA ASN 68 HA ASN 68 11.850 -8.936 -10.959 401 HB2 ASN 68 HB2 ASN 68 10.134 -10.226 -8.787 402 HB3 ASN 68 HB1 ASN 68 10.338 -10.914 -10.395 403 HD21 ASN 68 HD21 ASN 68 11.200 -12.781 -9.532 404 HD22 ASN 68 HD22 ASN 68 12.788 -12.870 -8.870 405 H VAL 69 HN VAL 69 9.154 -7.853 -9.023 406 HA VAL 69 HA VAL 69 7.129 -7.972 -11.032 407 HB VAL 69 HB VAL 69 7.133 -6.256 -8.500 408 HG11 VAL 69 HG11 VAL 69 5.298 -5.743 -10.053 409 HG12 VAL 69 HG12 VAL 69 4.679 -6.505 -8.588 410 HG13 VAL 69 HG13 VAL 69 4.817 -7.444 -10.076 411 HG21 VAL 69 HG21 VAL 69 6.105 -8.153 -7.292 412 HG22 VAL 69 HG22 VAL 69 7.716 -8.576 -7.879 413 HG23 VAL 69 HG23 VAL 69 6.285 -9.176 -8.719 414 H ALA 70 HN ALA 70 9.303 -5.456 -9.811 415 HA ALA 70 HA ALA 70 7.925 -3.243 -11.078 416 HB1 ALA 70 HB1 ALA 70 8.841 -3.043 -8.790 417 HB2 ALA 70 HB2 ALA 70 9.534 -1.832 -9.869 418 HB3 ALA 70 HB3 ALA 70 10.477 -3.258 -9.421 419 H LYS 71 HN LYS 71 10.005 -5.418 -12.424 420 HA LYS 71 HA LYS 71 11.365 -3.427 -14.123 421 HB2 LYS 71 HB2 LYS 71 12.583 -5.282 -15.114 422 HB3 LYS 71 HB1 LYS 71 12.705 -5.353 -13.360 423 HG2 LYS 71 HG2 LYS 71 11.004 -7.145 -13.326 424 HG3 LYS 71 HG1 LYS 71 10.896 -7.086 -15.086 425 HD2 LYS 71 HD2 LYS 71 13.362 -7.839 -13.463 426 HD3 LYS 71 HD1 LYS 71 12.320 -8.957 -14.342 427 HE2 LYS 71 HE2 LYS 71 12.987 -7.951 -16.467 428 HE3 LYS 71 HE1 LYS 71 13.940 -6.729 -15.631 429 HZ1 LYS 71 HZ1 LYS 71 15.435 -8.398 -14.866 430 HZ2 LYS 71 HZ2 LYS 71 15.257 -8.571 -16.540 431 HZ3 LYS 71 HZ3 LYS 71 14.468 -9.638 -15.488 432 H THR 72 HN THR 72 8.472 -5.273 -14.092 433 HA THR 72 HA THR 72 8.013 -4.827 -16.979 434 HB THR 72 HB THR 72 8.697 -7.191 -16.657 435 HG1 THR 72 HG1 THR 72 7.225 -7.848 -18.055 436 HG21 THR 72 HG21 THR 72 6.231 -7.450 -14.887 437 HG22 THR 72 HG22 THR 72 7.906 -7.546 -14.337 438 HG23 THR 72 HG23 THR 72 7.266 -8.777 -15.426 439 H ALA 73 HN ALA 73 6.771 -4.622 -13.766 440 HA ALA 73 HA ALA 73 3.965 -4.424 -14.531 441 HB1 ALA 73 HB1 ALA 73 4.550 -5.348 -12.316 442 HB2 ALA 73 HB2 ALA 73 3.565 -3.894 -12.158 443 HB3 ALA 73 HB3 ALA 73 5.304 -3.817 -11.865 444 H ASN 74 HN ASN 74 3.680 -2.720 -15.876 445 HA ASN 74 HA ASN 74 4.971 -0.199 -15.608 446 HB2 ASN 74 HB2 ASN 74 3.422 0.586 -17.384 447 HB3 ASN 74 HB1 ASN 74 4.211 -0.917 -17.814 448 HD21 ASN 74 HD21 ASN 74 2.646 -1.475 -19.353 449 HD22 ASN 74 HD22 ASN 74 1.038 -1.946 -18.917 450 H LYS 75 HN LYS 75 3.662 1.876 -15.379 451 HA LYS 75 HA LYS 75 2.691 1.891 -12.701 452 HB2 LYS 75 HB2 LYS 75 4.055 3.683 -13.853 453 HB3 LYS 75 HB1 LYS 75 2.600 4.156 -14.719 454 HG2 LYS 75 HG2 LYS 75 1.533 4.918 -12.752 455 HG3 LYS 75 HG1 LYS 75 2.676 4.084 -11.700 456 HD2 LYS 75 HD2 LYS 75 3.419 6.430 -13.503 457 HD3 LYS 75 HD1 LYS 75 2.960 6.601 -11.815 458 HE2 LYS 75 HE2 LYS 75 5.321 6.658 -11.817 459 HE3 LYS 75 HE1 LYS 75 4.916 5.031 -11.268 460 HZ1 LYS 75 HZ1 LYS 75 6.696 5.054 -12.916 461 HZ2 LYS 75 HZ2 LYS 75 5.656 5.762 -14.048 462 HZ3 LYS 75 HZ3 LYS 75 5.348 4.203 -13.474 463 H ASP 76 HN ASP 76 1.165 1.844 -15.815 464 HA ASP 76 HA ASP 76 -1.497 2.509 -15.203 465 HB2 ASP 76 HB2 ASP 76 -0.701 2.348 -17.512 466 HB3 ASP 76 HB1 ASP 76 -0.292 0.651 -17.297 467 H HIS 77 HN HIS 77 0.279 -0.546 -15.003 468 HA HIS 77 HA HIS 77 -1.799 -2.377 -14.469 469 HB2 HIS 77 HB2 HIS 77 0.460 -3.049 -15.246 470 HB3 HIS 77 HB1 HIS 77 1.181 -2.455 -13.764 471 HD1 HIS 77 HD1 HIS 77 -0.173 -5.429 -15.322 472 HD2 HIS 77 HD2 HIS 77 0.491 -4.123 -11.435 473 HE1 HIS 77 HE1 HIS 77 -0.178 -7.502 -13.914 474 HE2 HIS 77 HE2 HIS 77 0.455 -6.705 -11.609 475 H LEU 78 HN LEU 78 0.155 -0.259 -12.506 476 HA LEU 78 HA LEU 78 -0.370 -1.466 -9.959 477 HB2 LEU 78 HB2 LEU 78 0.776 1.284 -10.549 478 HB3 LEU 78 HB1 LEU 78 0.931 0.365 -9.048 479 HG LEU 78 HG LEU 78 2.158 -0.337 -11.740 480 HD11 LEU 78 HD11 LEU 78 3.462 0.530 -9.161 481 HD12 LEU 78 HD12 LEU 78 3.289 1.490 -10.635 482 HD13 LEU 78 HD13 LEU 78 4.291 0.041 -10.643 483 HD21 LEU 78 HD21 LEU 78 2.313 -1.905 -9.140 484 HD22 LEU 78 HD22 LEU 78 3.249 -2.231 -10.603 485 HD23 LEU 78 HD23 LEU 78 1.500 -2.404 -10.630 486 H VAL 79 HN VAL 79 -1.606 1.379 -11.682 487 HA VAL 79 HA VAL 79 -3.384 2.285 -9.653 488 HB VAL 79 HB VAL 79 -3.672 2.645 -12.674 489 HG11 VAL 79 HG11 VAL 79 -5.779 3.140 -11.474 490 HG12 VAL 79 HG12 VAL 79 -5.071 4.617 -12.126 491 HG13 VAL 79 HG13 VAL 79 -4.921 4.255 -10.406 492 HG21 VAL 79 HG21 VAL 79 -1.489 3.494 -11.880 493 HG22 VAL 79 HG22 VAL 79 -2.302 4.474 -10.657 494 HG23 VAL 79 HG23 VAL 79 -2.540 4.825 -12.370 495 H THR 80 HN THR 80 -3.756 0.032 -12.386 496 HA THR 80 HA THR 80 -6.486 -0.602 -12.130 497 HB THR 80 HB THR 80 -4.289 -2.505 -13.077 498 HG1 THR 80 HG1 THR 80 -4.021 -1.075 -14.600 499 HG21 THR 80 HG21 THR 80 -6.054 -3.477 -14.509 500 HG22 THR 80 HG22 THR 80 -7.238 -2.358 -13.832 501 HG23 THR 80 HG23 THR 80 -6.506 -3.594 -12.805 502 H ALA 81 HN ALA 81 -3.610 -2.086 -10.618 503 HA ALA 81 HA ALA 81 -4.976 -4.130 -9.190 504 HB1 ALA 81 HB1 ALA 81 -2.236 -2.915 -8.664 505 HB2 ALA 81 HB2 ALA 81 -2.573 -4.271 -9.740 506 HB3 ALA 81 HB3 ALA 81 -2.839 -4.441 -8.004 507 H TYR 82 HN TYR 82 -3.791 -0.904 -8.313 508 HA TYR 82 HA TYR 82 -4.327 -0.802 -5.590 509 HB2 TYR 82 HB2 TYR 82 -3.066 0.997 -6.493 510 HB3 TYR 82 HB1 TYR 82 -4.230 1.312 -7.768 511 HD1 TYR 82 HD2 TYR 82 -3.396 1.949 -4.209 512 HD2 TYR 82 HD1 TYR 82 -6.208 2.717 -7.339 513 HE1 TYR 82 HE2 TYR 82 -4.408 3.766 -2.878 514 HE2 TYR 82 HE1 TYR 82 -7.190 4.541 -6.034 515 HH TYR 82 HH TYR 82 -5.726 5.862 -3.330 516 H ASN 83 HN ASN 83 -6.479 0.236 -8.262 517 HA ASN 83 HA ASN 83 -8.644 0.969 -6.568 518 HB2 ASN 83 HB2 ASN 83 -8.401 0.565 -9.563 519 HB3 ASN 83 HB1 ASN 83 -9.973 0.854 -8.832 520 HD21 ASN 83 HD21 ASN 83 -6.862 2.282 -9.565 521 HD22 ASN 83 HD22 ASN 83 -7.314 3.910 -9.228 522 H HIS 84 HN HIS 84 -7.894 -1.981 -8.406 523 HA HIS 84 HA HIS 84 -10.335 -3.352 -7.902 524 HB2 HIS 84 HB2 HIS 84 -7.590 -4.305 -8.777 525 HB3 HIS 84 HB1 HIS 84 -8.887 -5.450 -8.466 526 HD1 HIS 84 HD1 HIS 84 -7.988 -5.651 -11.168 527 HD2 HIS 84 HD2 HIS 84 -10.710 -2.697 -10.121 528 HE1 HIS 84 HE1 HIS 84 -9.122 -5.006 -13.313 529 HE2 HIS 84 HE2 HIS 84 -10.831 -3.276 -12.646 530 H LEU 85 HN LEU 85 -7.458 -2.890 -5.957 531 HA LEU 85 HA LEU 85 -7.646 -5.019 -4.126 532 HB2 LEU 85 HB2 LEU 85 -5.745 -3.439 -4.255 533 HB3 LEU 85 HB1 LEU 85 -6.755 -2.140 -3.699 534 HG LEU 85 HG LEU 85 -6.970 -3.234 -1.491 535 HD11 LEU 85 HD11 LEU 85 -5.061 -5.297 -2.597 536 HD12 LEU 85 HD12 LEU 85 -6.744 -5.556 -2.134 537 HD13 LEU 85 HD13 LEU 85 -5.547 -5.152 -0.908 538 HD21 LEU 85 HD21 LEU 85 -4.684 -2.810 -0.683 539 HD22 LEU 85 HD22 LEU 85 -5.201 -1.556 -1.808 540 HD23 LEU 85 HD23 LEU 85 -4.085 -2.816 -2.345 541 H PHE 86 HN PHE 86 -8.912 -1.727 -3.916 542 HA PHE 86 HA PHE 86 -10.524 -2.168 -1.574 543 HB2 PHE 86 HB2 PHE 86 -10.659 0.191 -3.488 544 HB3 PHE 86 HB1 PHE 86 -11.118 0.164 -1.783 545 HD1 PHE 86 HD2 PHE 86 -9.142 -0.343 -0.058 546 HD2 PHE 86 HD1 PHE 86 -8.523 0.895 -4.091 547 HE1 PHE 86 HE2 PHE 86 -6.845 0.420 0.495 548 HE2 PHE 86 HE1 PHE 86 -6.268 1.613 -3.511 549 HZ PHE 86 HZ PHE 86 -5.424 1.372 -1.233 550 H GLU 87 HN GLU 87 -11.020 -2.404 -5.003 551 HA GLU 87 HA GLU 87 -13.840 -2.038 -5.155 552 HB2 GLU 87 HB2 GLU 87 -12.245 -1.785 -7.073 553 HB3 GLU 87 HB1 GLU 87 -11.971 -3.521 -7.054 554 HG2 GLU 87 HG2 GLU 87 -13.476 -2.926 -8.855 555 HG3 GLU 87 HG1 GLU 87 -14.327 -3.903 -7.656 556 H THR 88 HN THR 88 -11.838 -4.785 -4.370 557 HA THR 88 HA THR 88 -14.230 -6.525 -4.147 558 HB THR 88 HB THR 88 -12.641 -8.467 -4.548 559 HG1 THR 88 HG1 THR 88 -10.887 -6.307 -4.829 560 HG21 THR 88 HG21 THR 88 -12.514 -8.199 -7.007 561 HG22 THR 88 HG22 THR 88 -12.853 -6.476 -6.848 562 HG23 THR 88 HG23 THR 88 -14.085 -7.662 -6.406 563 H LYS 89 HN LYS 89 -12.108 -4.763 -2.397 564 HA LYS 89 HA LYS 89 -11.177 -4.753 -0.337 565 HB2 LYS 89 HB2 LYS 89 -13.448 -6.688 0.323 566 HB3 LYS 89 HB1 LYS 89 -12.548 -5.717 1.489 567 HG2 LYS 89 HG2 LYS 89 -14.344 -4.611 -0.717 568 HG3 LYS 89 HG1 LYS 89 -14.789 -4.774 0.986 569 HD2 LYS 89 HD2 LYS 89 -13.051 -3.157 1.621 570 HD3 LYS 89 HD1 LYS 89 -12.504 -3.043 -0.052 571 HE2 LYS 89 HE2 LYS 89 -13.875 -1.101 0.559 572 HE3 LYS 89 HE1 LYS 89 -14.673 -2.049 -0.698 573 HZ1 LYS 89 HZ1 LYS 89 -16.135 -2.979 0.934 574 HZ2 LYS 89 HZ2 LYS 89 -16.167 -1.295 1.084 575 HZ3 LYS 89 HZ3 LYS 89 -15.302 -2.228 2.199 576 H ARG 90 HN ARG 90 -9.884 -6.373 -2.078 577 HA ARG 90 HA ARG 90 -9.411 -9.060 -1.235 578 HB2 ARG 90 HB2 ARG 90 -8.600 -7.307 -3.464 579 HB3 ARG 90 HB1 ARG 90 -7.303 -8.375 -2.970 580 HG2 ARG 90 HG2 ARG 90 -8.793 -10.323 -3.285 581 HG3 ARG 90 HG1 ARG 90 -10.076 -9.233 -3.829 582 HD2 ARG 90 HD2 ARG 90 -8.728 -8.522 -5.716 583 HD3 ARG 90 HD1 ARG 90 -7.350 -9.465 -5.135 584 HE ARG 90 HE ARG 90 -9.316 -11.326 -5.381 585 HH11 ARG 90 HH11 ARG 90 -8.167 -8.958 -7.672 586 HH12 ARG 90 HH12 ARG 90 -8.349 -10.002 -9.038 587 HH21 ARG 90 HH21 ARG 90 -9.559 -12.696 -7.159 588 HH22 ARG 90 HH22 ARG 90 -9.141 -12.132 -8.747 589 H PHE 91 HN PHE 91 -8.164 -6.147 -0.106 590 HA PHE 91 HA PHE 91 -5.688 -7.059 0.974 591 HB2 PHE 91 HB2 PHE 91 -6.014 -5.122 2.630 592 HB3 PHE 91 HB1 PHE 91 -5.959 -4.704 0.925 593 HD1 PHE 91 HD2 PHE 91 -8.566 -5.588 3.528 594 HD2 PHE 91 HD1 PHE 91 -7.497 -3.158 0.184 595 HE1 PHE 91 HE2 PHE 91 -10.684 -4.360 3.741 596 HE2 PHE 91 HE1 PHE 91 -9.623 -1.937 0.406 597 HZ PHE 91 HZ PHE 91 -11.207 -2.534 2.186 598 H LYS 92 HN LYS 92 -5.248 -7.395 3.279 599 HA LYS 92 HA LYS 92 -5.540 -8.095 5.394 600 HB2 LYS 92 HB2 LYS 92 -7.481 -6.638 5.580 601 HB3 LYS 92 HB1 LYS 92 -8.509 -7.823 4.795 602 HG2 LYS 92 HG2 LYS 92 -8.316 -9.315 6.723 603 HG3 LYS 92 HG1 LYS 92 -7.199 -8.194 7.505 604 HD2 LYS 92 HD2 LYS 92 -9.540 -8.044 8.383 605 HD3 LYS 92 HD1 LYS 92 -8.933 -6.517 7.745 606 HE2 LYS 92 HE2 LYS 92 -11.287 -6.929 7.108 607 HE3 LYS 92 HE1 LYS 92 -10.243 -6.827 5.693 608 HZ1 LYS 92 HZ1 LYS 92 -11.782 -8.634 5.472 609 HZ2 LYS 92 HZ2 LYS 92 -11.275 -9.303 6.938 610 HZ3 LYS 92 HZ3 LYS 92 -10.218 -9.258 5.625 Start of MODEL 6 1 H MET 20 H MET 20 -15.541 3.102 18.418 2 HA MET 20 HA MET 20 -13.618 1.004 17.655 3 HB2 MET 20 HB2 MET 20 -15.661 0.027 16.404 4 HB3 MET 20 HB1 MET 20 -15.589 -0.199 18.144 5 HG2 MET 20 HG2 MET 20 -17.848 0.330 17.598 6 HG3 MET 20 HG1 MET 20 -17.170 1.737 18.400 7 HE1 MET 20 HE1 MET 20 -18.437 0.204 15.026 8 HE2 MET 20 HE2 MET 20 -16.770 0.586 14.594 9 HE3 MET 20 HE3 MET 20 -18.098 1.494 13.872 10 H ALA 21 HN ALA 21 -12.875 1.101 15.622 11 HA ALA 21 HA ALA 21 -13.960 2.484 13.409 12 HB1 ALA 21 HB1 ALA 21 -13.202 4.532 14.598 13 HB2 ALA 21 HB2 ALA 21 -12.251 4.274 13.136 14 HB3 ALA 21 HB3 ALA 21 -11.566 3.872 14.714 15 H ALA 22 HN ALA 22 -13.463 0.667 12.202 16 HA ALA 22 HA ALA 22 -11.031 -0.807 12.353 17 HB1 ALA 22 HB1 ALA 22 -13.119 -1.822 11.520 18 HB2 ALA 22 HB2 ALA 22 -11.833 -1.968 10.323 19 HB3 ALA 22 HB3 ALA 22 -13.097 -0.754 10.112 20 H ALA 23 HN ALA 23 -9.259 0.442 12.085 21 HA ALA 23 HA ALA 23 -9.002 2.454 10.015 22 HB1 ALA 23 HB1 ALA 23 -6.835 2.960 11.093 23 HB2 ALA 23 HB2 ALA 23 -7.007 1.532 12.118 24 HB3 ALA 23 HB3 ALA 23 -8.131 2.880 12.290 25 H VAL 24 HN VAL 24 -9.416 0.417 8.569 26 HA VAL 24 HA VAL 24 -7.151 -1.247 7.966 27 HB VAL 24 HB VAL 24 -8.583 -2.207 6.182 28 HG11 VAL 24 HG11 VAL 24 -8.755 -3.096 8.463 29 HG12 VAL 24 HG12 VAL 24 -10.322 -3.180 7.664 30 HG13 VAL 24 HG13 VAL 24 -10.015 -1.918 8.861 31 HG21 VAL 24 HG21 VAL 24 -9.840 -0.211 5.440 32 HG22 VAL 24 HG22 VAL 24 -10.677 -0.129 6.993 33 HG23 VAL 24 HG23 VAL 24 -10.960 -1.492 5.904 34 HA PRO 25 HA PRO 25 -5.112 1.871 5.552 35 HB2 PRO 25 HB2 PRO 25 -3.665 -0.307 4.132 36 HB3 PRO 25 HB1 PRO 25 -3.035 0.999 5.136 37 HG2 PRO 25 HG2 PRO 25 -3.089 -1.555 6.016 38 HG3 PRO 25 HG1 PRO 25 -3.356 -0.186 7.119 39 HD2 PRO 25 HD2 PRO 25 -5.377 -2.040 5.865 40 HD3 PRO 25 HD1 PRO 25 -5.316 -1.393 7.523 41 H GLN 26 HN GLN 26 -6.645 2.705 4.293 42 HA GLN 26 HA GLN 26 -7.659 1.457 1.866 43 HB2 GLN 26 HB2 GLN 26 -9.024 3.556 1.693 44 HB3 GLN 26 HB1 GLN 26 -9.197 2.772 3.261 45 HG2 GLN 26 HG2 GLN 26 -7.568 4.404 4.212 46 HG3 GLN 26 HG1 GLN 26 -7.510 5.224 2.654 47 HE21 GLN 26 HE21 GLN 26 -8.345 6.216 5.292 48 HE22 GLN 26 HE22 GLN 26 -9.962 6.796 5.091 49 H ARG 27 HN ARG 27 -7.858 3.491 0.073 50 HA ARG 27 HA ARG 27 -5.376 3.709 -1.184 51 HB2 ARG 27 HB2 ARG 27 -7.238 3.936 -2.572 52 HB3 ARG 27 HB1 ARG 27 -8.025 5.107 -1.519 53 HG2 ARG 27 HG2 ARG 27 -6.377 6.821 -2.210 54 HG3 ARG 27 HG1 ARG 27 -5.589 5.641 -3.260 55 HD2 ARG 27 HD2 ARG 27 -7.002 7.051 -4.606 56 HD3 ARG 27 HD1 ARG 27 -7.733 5.447 -4.539 57 HE ARG 27 HE ARG 27 -8.677 7.436 -2.617 58 HH11 ARG 27 HH11 ARG 27 -9.374 5.639 -5.541 59 HH12 ARG 27 HH12 ARG 27 -11.025 6.168 -5.609 60 HH21 ARG 27 HH21 ARG 27 -10.819 8.119 -2.699 61 HH22 ARG 27 HH22 ARG 27 -11.841 7.584 -3.993 62 H ALA 28 HN ALA 28 -3.674 4.799 -0.643 63 HA ALA 28 HA ALA 28 -3.727 7.134 1.142 64 HB1 ALA 28 HB1 ALA 28 -2.196 5.257 1.674 65 HB2 ALA 28 HB2 ALA 28 -1.300 6.740 1.338 66 HB3 ALA 28 HB3 ALA 28 -1.396 5.473 0.114 67 H TRP 29 HN TRP 29 -3.446 6.405 -2.204 68 HA TRP 29 HA TRP 29 -2.355 9.061 -2.927 69 HB2 TRP 29 HB2 TRP 29 -1.516 6.492 -4.358 70 HB3 TRP 29 HB1 TRP 29 -0.846 8.105 -4.574 71 HD1 TRP 29 HD1 TRP 29 0.293 8.991 -1.929 72 HE1 TRP 29 HE1 TRP 29 2.009 7.629 -0.586 73 HE3 TRP 29 HE3 TRP 29 -0.521 4.397 -4.005 74 HZ2 TRP 29 HZ2 TRP 29 2.925 4.968 -0.450 75 HZ3 TRP 29 HZ3 TRP 29 0.835 2.496 -3.235 76 HH2 TRP 29 HH2 TRP 29 2.527 2.778 -1.491 77 H THR 30 HN THR 30 -3.476 9.969 -4.646 78 HA THR 30 HA THR 30 -5.822 8.629 -5.662 79 HB THR 30 HB THR 30 -6.198 10.745 -6.938 80 HG1 THR 30 HG1 THR 30 -4.633 12.461 -6.550 81 HG21 THR 30 HG21 THR 30 -6.949 10.686 -4.575 82 HG22 THR 30 HG22 THR 30 -6.401 12.299 -5.024 83 HG23 THR 30 HG23 THR 30 -5.362 11.259 -4.049 84 H VAL 31 HN VAL 31 -6.192 8.768 -8.172 85 HA VAL 31 HA VAL 31 -4.450 6.904 -9.367 86 HB VAL 31 HB VAL 31 -6.497 8.699 -10.723 87 HG11 VAL 31 HG11 VAL 31 -4.956 7.859 -12.429 88 HG12 VAL 31 HG12 VAL 31 -6.511 7.043 -12.582 89 HG13 VAL 31 HG13 VAL 31 -5.148 6.208 -11.834 90 HG21 VAL 31 HG21 VAL 31 -8.007 6.762 -10.577 91 HG22 VAL 31 HG22 VAL 31 -7.475 7.276 -8.975 92 HG23 VAL 31 HG23 VAL 31 -6.757 5.853 -9.728 93 H GLU 32 HN GLU 32 -4.591 10.432 -9.644 94 HA GLU 32 HA GLU 32 -2.637 10.740 -11.702 95 HB2 GLU 32 HB2 GLU 32 -2.653 13.122 -11.123 96 HB3 GLU 32 HB1 GLU 32 -4.301 12.494 -11.154 97 HG2 GLU 32 HG2 GLU 32 -4.088 12.256 -8.607 98 HG3 GLU 32 HG1 GLU 32 -2.622 13.223 -8.736 99 H GLN 33 HN GLN 33 -2.458 10.564 -8.161 100 HA GLN 33 HA GLN 33 0.309 11.208 -7.904 101 HB2 GLN 33 HB2 GLN 33 -1.524 9.678 -6.029 102 HB3 GLN 33 HB1 GLN 33 0.115 10.179 -5.622 103 HG2 GLN 33 HG2 GLN 33 -0.549 12.545 -5.874 104 HG3 GLN 33 HG1 GLN 33 -2.189 12.037 -6.277 105 HE21 GLN 33 HE21 GLN 33 -3.120 13.068 -4.532 106 HE22 GLN 33 HE22 GLN 33 -2.914 12.565 -2.896 107 H LEU 34 HN LEU 34 -1.465 8.192 -8.457 108 HA LEU 34 HA LEU 34 0.699 6.377 -8.142 109 HB2 LEU 34 HB2 LEU 34 -1.719 6.160 -9.980 110 HB3 LEU 34 HB1 LEU 34 -0.645 4.829 -9.566 111 HG LEU 34 HG LEU 34 -2.392 6.312 -7.569 112 HD11 LEU 34 HD11 LEU 34 -3.864 4.385 -7.591 113 HD12 LEU 34 HD12 LEU 34 -2.879 3.599 -8.825 114 HD13 LEU 34 HD13 LEU 34 -3.754 5.085 -9.205 115 HD21 LEU 34 HD21 LEU 34 -0.749 3.781 -7.234 116 HD22 LEU 34 HD22 LEU 34 -1.854 4.459 -6.033 117 HD23 LEU 34 HD23 LEU 34 -0.411 5.353 -6.507 118 H ARG 35 HN ARG 35 -0.723 7.925 -10.998 119 HA ARG 35 HA ARG 35 1.205 6.966 -12.877 120 HB2 ARG 35 HB2 ARG 35 -0.878 9.174 -13.155 121 HB3 ARG 35 HB1 ARG 35 0.031 8.466 -14.496 122 HG2 ARG 35 HG2 ARG 35 -1.021 6.271 -14.028 123 HG3 ARG 35 HG1 ARG 35 -1.919 6.984 -12.687 124 HD2 ARG 35 HD2 ARG 35 -3.361 6.780 -14.650 125 HD3 ARG 35 HD1 ARG 35 -3.086 8.485 -14.287 126 HE ARG 35 HE ARG 35 -1.163 7.700 -16.151 127 HH11 ARG 35 HH11 ARG 35 -4.659 8.087 -16.084 128 HH12 ARG 35 HH12 ARG 35 -4.756 8.460 -17.772 129 HH21 ARG 35 HH21 ARG 35 -1.314 8.214 -18.344 130 HH22 ARG 35 HH22 ARG 35 -2.866 8.523 -19.053 131 H SER 36 HN SER 36 1.287 9.510 -10.619 132 HA SER 36 HA SER 36 2.875 11.454 -11.819 133 HB2 SER 36 HB2 SER 36 1.891 11.817 -9.612 134 HB3 SER 36 HB1 SER 36 2.878 10.535 -8.914 135 HG SER 36 HG SER 36 3.487 13.070 -9.086 136 H GLU 37 HN GLU 37 5.030 11.778 -12.006 137 HA GLU 37 HA GLU 37 6.709 9.460 -12.365 138 HB2 GLU 37 HB2 GLU 37 7.349 12.412 -12.723 139 HB3 GLU 37 HB1 GLU 37 8.264 11.056 -13.379 140 HG2 GLU 37 HG2 GLU 37 6.388 10.449 -14.823 141 HG3 GLU 37 HG1 GLU 37 5.400 11.733 -14.126 142 H GLN 38 HN GLN 38 6.032 11.461 -9.747 143 HA GLN 38 HA GLN 38 8.665 11.463 -8.487 144 HB2 GLN 38 HB2 GLN 38 5.956 12.361 -7.390 145 HB3 GLN 38 HB1 GLN 38 7.525 12.683 -6.661 146 HG2 GLN 38 HG2 GLN 38 6.557 13.749 -9.332 147 HG3 GLN 38 HG1 GLN 38 6.641 14.654 -7.820 148 HE21 GLN 38 HE21 GLN 38 8.477 13.309 -10.476 149 HE22 GLN 38 HE22 GLN 38 9.964 14.115 -10.124 150 H LEU 39 HN LEU 39 5.544 9.804 -8.166 151 HA LEU 39 HA LEU 39 6.333 8.222 -5.856 152 HB2 LEU 39 HB2 LEU 39 3.931 9.091 -6.671 153 HB3 LEU 39 HB1 LEU 39 3.923 7.578 -7.554 154 HG LEU 39 HG LEU 39 4.054 7.940 -4.536 155 HD11 LEU 39 HD11 LEU 39 1.868 6.824 -4.539 156 HD12 LEU 39 HD12 LEU 39 1.888 6.781 -6.303 157 HD13 LEU 39 HD13 LEU 39 1.850 8.328 -5.451 158 HD21 LEU 39 HD21 LEU 39 4.119 5.310 -6.050 159 HD22 LEU 39 HD22 LEU 39 3.885 5.489 -4.307 160 HD23 LEU 39 HD23 LEU 39 5.405 5.986 -5.044 161 HA PRO 40 HA PRO 40 8.290 5.335 -8.824 162 HB2 PRO 40 HB2 PRO 40 9.617 3.762 -7.043 163 HB3 PRO 40 HB1 PRO 40 10.167 5.398 -7.444 164 HG2 PRO 40 HG2 PRO 40 8.585 4.461 -5.053 165 HG3 PRO 40 HG1 PRO 40 9.967 5.574 -5.113 166 HD2 PRO 40 HD2 PRO 40 7.358 6.426 -4.960 167 HD3 PRO 40 HD1 PRO 40 8.644 7.384 -5.735 168 H LYS 41 HN LYS 41 7.821 3.248 -9.538 169 HA LYS 41 HA LYS 41 5.275 2.202 -8.872 170 HB2 LYS 41 HB2 LYS 41 5.757 0.413 -10.479 171 HB3 LYS 41 HB1 LYS 41 6.215 1.976 -11.139 172 HG2 LYS 41 HG2 LYS 41 8.557 1.507 -10.808 173 HG3 LYS 41 HG1 LYS 41 8.197 0.049 -9.886 174 HD2 LYS 41 HD2 LYS 41 8.916 -0.514 -12.167 175 HD3 LYS 41 HD1 LYS 41 7.247 -1.016 -11.879 176 HE2 LYS 41 HE2 LYS 41 6.464 1.023 -13.078 177 HE3 LYS 41 HE1 LYS 41 8.149 1.447 -13.411 178 HZ1 LYS 41 HZ1 LYS 41 7.137 0.320 -15.279 179 HZ2 LYS 41 HZ2 LYS 41 6.756 -1.016 -14.318 180 HZ3 LYS 41 HZ3 LYS 41 8.373 -0.637 -14.631 181 H LYS 42 HN LYS 42 8.500 1.467 -7.769 182 HA LYS 42 HA LYS 42 8.074 -1.089 -6.653 183 HB2 LYS 42 HB2 LYS 42 10.165 -0.742 -5.429 184 HB3 LYS 42 HB1 LYS 42 10.340 -0.176 -7.084 185 HG2 LYS 42 HG2 LYS 42 10.135 2.152 -6.347 186 HG3 LYS 42 HG1 LYS 42 9.831 1.626 -4.692 187 HD2 LYS 42 HD2 LYS 42 12.143 2.379 -4.903 188 HD3 LYS 42 HD1 LYS 42 12.108 0.643 -4.590 189 HE2 LYS 42 HE2 LYS 42 12.522 0.200 -6.986 190 HE3 LYS 42 HE1 LYS 42 12.533 1.938 -7.310 191 HZ1 LYS 42 HZ1 LYS 42 14.762 1.224 -7.130 192 HZ2 LYS 42 HZ2 LYS 42 14.468 0.386 -5.690 193 HZ3 LYS 42 HZ3 LYS 42 14.425 2.078 -5.707 194 H ASP 43 HN ASP 43 7.466 2.145 -5.441 195 HA ASP 43 HA ASP 43 7.098 1.399 -2.681 196 HB2 ASP 43 HB2 ASP 43 7.850 3.684 -3.434 197 HB3 ASP 43 HB1 ASP 43 6.237 3.968 -4.080 198 H ILE 44 HN ILE 44 5.027 1.786 -5.496 199 HA ILE 44 HA ILE 44 2.505 1.619 -4.152 200 HB ILE 44 HB ILE 44 3.141 0.857 -7.048 201 HG12 ILE 44 HG12 ILE 44 2.240 3.541 -5.894 202 HG13 ILE 44 HG11 ILE 44 3.836 3.186 -6.544 203 HG21 ILE 44 HG21 ILE 44 0.461 1.624 -5.801 204 HG22 ILE 44 HG22 ILE 44 0.941 -0.005 -6.286 205 HG23 ILE 44 HG23 ILE 44 0.747 1.254 -7.504 206 HD11 ILE 44 HD11 ILE 44 1.252 3.263 -8.093 207 HD12 ILE 44 HD12 ILE 44 2.831 2.842 -8.762 208 HD13 ILE 44 HD13 ILE 44 2.546 4.459 -8.119 209 H ILE 45 HN ILE 45 4.506 -0.781 -5.902 210 HA ILE 45 HA ILE 45 3.017 -3.111 -5.415 211 HB ILE 45 HB ILE 45 6.037 -2.803 -5.693 212 HG12 ILE 45 HG12 ILE 45 4.046 -3.584 -7.872 213 HG13 ILE 45 HG11 ILE 45 4.578 -1.928 -7.610 214 HG21 ILE 45 HG21 ILE 45 6.104 -5.185 -6.370 215 HG22 ILE 45 HG22 ILE 45 4.379 -5.335 -6.037 216 HG23 ILE 45 HG23 ILE 45 5.504 -5.010 -4.717 217 HD11 ILE 45 HD11 ILE 45 5.773 -2.985 -9.440 218 HD12 ILE 45 HD12 ILE 45 6.356 -4.246 -8.354 219 HD13 ILE 45 HD13 ILE 45 6.874 -2.576 -8.124 220 H LYS 46 HN LYS 46 5.580 -1.562 -3.512 221 HA LYS 46 HA LYS 46 5.968 -3.317 -1.395 222 HB2 LYS 46 HB2 LYS 46 7.326 -1.270 -1.789 223 HB3 LYS 46 HB1 LYS 46 5.953 -0.264 -1.362 224 HG2 LYS 46 HG2 LYS 46 7.384 -0.232 0.513 225 HG3 LYS 46 HG1 LYS 46 6.042 -1.289 0.965 226 HD2 LYS 46 HD2 LYS 46 7.392 -3.261 0.674 227 HD3 LYS 46 HD1 LYS 46 8.671 -2.348 -0.125 228 HE2 LYS 46 HE2 LYS 46 7.895 -2.133 2.796 229 HE3 LYS 46 HE1 LYS 46 9.339 -2.916 2.152 230 HZ1 LYS 46 HZ1 LYS 46 9.907 -0.745 2.928 231 HZ2 LYS 46 HZ2 LYS 46 8.668 -0.022 2.035 232 HZ3 LYS 46 HZ3 LYS 46 9.984 -0.723 1.240 233 H PHE 47 HN PHE 47 3.579 -0.713 -1.738 234 HA PHE 47 HA PHE 47 2.330 -0.986 0.795 235 HB2 PHE 47 HB2 PHE 47 2.178 1.084 -0.565 236 HB3 PHE 47 HB1 PHE 47 1.232 0.229 -1.775 237 HD1 PHE 47 HD2 PHE 47 0.833 0.001 1.929 238 HD2 PHE 47 HD1 PHE 47 -0.789 1.502 -1.711 239 HE1 PHE 47 HE2 PHE 47 -1.195 0.711 3.134 240 HE2 PHE 47 HE1 PHE 47 -2.823 2.205 -0.516 241 HZ PHE 47 HZ PHE 47 -3.027 1.816 1.909 242 H LEU 48 HN LEU 48 1.522 -2.244 -2.434 243 HA LEU 48 HA LEU 48 -1.022 -3.290 -1.702 244 HB2 LEU 48 HB2 LEU 48 0.748 -3.882 -4.099 245 HB3 LEU 48 HB1 LEU 48 -0.930 -4.391 -3.947 246 HG LEU 48 HG LEU 48 0.023 -1.496 -3.993 247 HD11 LEU 48 HD11 LEU 48 0.284 -2.542 -6.194 248 HD12 LEU 48 HD12 LEU 48 -1.010 -1.347 -6.220 249 HD13 LEU 48 HD13 LEU 48 -1.402 -3.068 -6.169 250 HD21 LEU 48 HD21 LEU 48 -2.804 -2.609 -3.921 251 HD22 LEU 48 HD22 LEU 48 -2.369 -0.917 -4.155 252 HD23 LEU 48 HD23 LEU 48 -1.981 -1.712 -2.635 253 H GLN 49 HN GLN 49 2.230 -4.704 -1.772 254 HA GLN 49 HA GLN 49 1.253 -7.382 -1.171 255 HB2 GLN 49 HB2 GLN 49 3.529 -8.130 -1.219 256 HB3 GLN 49 HB1 GLN 49 3.276 -7.063 -2.593 257 HG2 GLN 49 HG2 GLN 49 4.433 -5.239 -1.431 258 HG3 GLN 49 HG1 GLN 49 4.656 -6.257 -0.011 259 HE21 GLN 49 HE21 GLN 49 5.054 -7.325 -3.386 260 HE22 GLN 49 HE22 GLN 49 6.753 -7.611 -3.278 261 H GLU 50 HN GLU 50 2.332 -4.608 0.598 262 HA GLU 50 HA GLU 50 3.263 -5.611 3.012 263 HB2 GLU 50 HB2 GLU 50 3.357 -3.224 2.365 264 HB3 GLU 50 HB1 GLU 50 1.615 -3.085 2.529 265 HG2 GLU 50 HG2 GLU 50 3.348 -3.819 4.904 266 HG3 GLU 50 HG1 GLU 50 3.193 -2.145 4.394 267 H HIS 51 HN HIS 51 -0.089 -5.130 1.986 268 HA HIS 51 HA HIS 51 -1.053 -6.601 4.348 269 HB2 HIS 51 HB2 HIS 51 -2.774 -4.933 4.869 270 HB3 HIS 51 HB1 HIS 51 -1.171 -4.217 4.978 271 HD1 HIS 51 HD1 HIS 51 -4.356 -3.296 3.921 272 HD2 HIS 51 HD2 HIS 51 -0.600 -2.973 2.197 273 HE1 HIS 51 HE1 HIS 51 -4.584 -1.569 2.095 274 HE2 HIS 51 HE2 HIS 51 -2.274 -1.306 1.162 275 H GLY 52 HN GLY 52 -1.524 -5.675 0.994 276 HA2 GLY 52 HA2 GLY 52 -4.033 -6.805 0.467 277 HA3 GLY 52 HA1 GLY 52 -2.698 -6.711 -0.668 278 H SER 53 HN SER 53 -4.757 -8.875 0.208 279 HA SER 53 HA SER 53 -3.418 -10.995 1.472 280 HB2 SER 53 HB2 SER 53 -5.885 -10.801 1.330 281 HB3 SER 53 HB1 SER 53 -5.817 -11.126 -0.400 282 HG SER 53 HG SER 53 -5.214 -12.864 1.744 283 H ASP 54 HN ASP 54 -2.589 -12.931 0.687 284 HA ASP 54 HA ASP 54 -0.748 -12.736 -1.414 285 HB2 ASP 54 HB2 ASP 54 -0.387 -14.241 0.469 286 HB3 ASP 54 HB1 ASP 54 -1.832 -15.158 0.064 287 H SER 55 HN SER 55 -3.944 -14.221 -1.335 288 HA SER 55 HA SER 55 -3.947 -15.483 -3.854 289 HB2 SER 55 HB2 SER 55 -6.288 -14.351 -2.275 290 HB3 SER 55 HB1 SER 55 -6.402 -15.538 -3.580 291 HG SER 55 HG SER 55 -5.265 -16.999 -2.318 292 H PHE 56 HN PHE 56 -4.830 -12.178 -2.877 293 HA PHE 56 HA PHE 56 -5.659 -11.193 -5.423 294 HB2 PHE 56 HB2 PHE 56 -6.286 -9.923 -3.471 295 HB3 PHE 56 HB1 PHE 56 -4.627 -9.813 -2.907 296 HD1 PHE 56 HD1 PHE 56 -7.084 -8.467 -5.347 297 HD2 PHE 56 HD2 PHE 56 -3.119 -8.090 -3.774 298 HE1 PHE 56 HE1 PHE 56 -6.827 -6.290 -6.473 299 HE2 PHE 56 HE2 PHE 56 -2.886 -5.919 -4.905 300 HZ PHE 56 HZ PHE 56 -4.734 -5.027 -6.250 301 H LEU 57 HN LEU 57 -2.558 -11.230 -3.699 302 HA LEU 57 HA LEU 57 -1.037 -9.633 -5.442 303 HB2 LEU 57 HB2 LEU 57 -0.075 -11.848 -3.591 304 HB3 LEU 57 HB1 LEU 57 0.957 -10.638 -4.339 305 HG LEU 57 HG LEU 57 -1.142 -10.156 -2.201 306 HD11 LEU 57 HD11 LEU 57 1.857 -9.851 -2.121 307 HD12 LEU 57 HD12 LEU 57 0.907 -11.132 -1.359 308 HD13 LEU 57 HD13 LEU 57 0.730 -9.465 -0.814 309 HD21 LEU 57 HD21 LEU 57 -1.223 -8.286 -3.768 310 HD22 LEU 57 HD22 LEU 57 0.527 -8.081 -3.642 311 HD23 LEU 57 HD23 LEU 57 -0.501 -7.797 -2.237 312 H ALA 58 HN ALA 58 -1.735 -13.085 -5.467 313 HA ALA 58 HA ALA 58 0.134 -13.941 -7.401 314 HB1 ALA 58 HB1 ALA 58 -1.297 -15.940 -7.598 315 HB2 ALA 58 HB2 ALA 58 -2.588 -15.103 -6.731 316 HB3 ALA 58 HB3 ALA 58 -1.075 -15.486 -5.907 317 H GLU 59 HN GLU 59 -3.255 -12.943 -7.707 318 HA GLU 59 HA GLU 59 -3.610 -13.369 -10.477 319 HB2 GLU 59 HB2 GLU 59 -5.025 -11.364 -8.665 320 HB3 GLU 59 HB1 GLU 59 -5.627 -11.957 -10.219 321 HG2 GLU 59 HG2 GLU 59 -5.891 -14.195 -9.321 322 HG3 GLU 59 HG1 GLU 59 -5.122 -13.729 -7.802 323 H HIS 60 HN HIS 60 -2.092 -10.739 -8.752 324 HA HIS 60 HA HIS 60 -1.942 -9.079 -11.209 325 HB2 HIS 60 HB2 HIS 60 -1.862 -8.184 -8.294 326 HB3 HIS 60 HB1 HIS 60 -1.717 -7.118 -9.691 327 HD1 HIS 60 HD1 HIS 60 -4.223 -9.139 -7.773 328 HD2 HIS 60 HD2 HIS 60 -4.126 -6.581 -11.025 329 HE1 HIS 60 HE1 HIS 60 -6.618 -8.679 -8.329 330 HE2 HIS 60 HE2 HIS 60 -6.520 -7.289 -10.417 331 H LYS 61 HN LYS 61 -0.140 -11.164 -9.480 332 HA LYS 61 HA LYS 61 2.026 -11.762 -9.326 333 HB2 LYS 61 HB2 LYS 61 2.475 -9.721 -11.544 334 HB3 LYS 61 HB1 LYS 61 3.634 -10.958 -11.055 335 HG2 LYS 61 HG2 LYS 61 1.973 -12.713 -11.696 336 HG3 LYS 61 HG1 LYS 61 0.895 -11.441 -12.288 337 HD2 LYS 61 HD2 LYS 61 3.681 -12.094 -13.342 338 HD3 LYS 61 HD1 LYS 61 2.152 -12.465 -14.140 339 HE2 LYS 61 HE2 LYS 61 1.689 -10.065 -14.414 340 HE3 LYS 61 HE1 LYS 61 3.174 -9.661 -13.549 341 HZ1 LYS 61 HZ1 LYS 61 2.976 -11.055 -16.159 342 HZ2 LYS 61 HZ2 LYS 61 4.417 -10.807 -15.310 343 HZ3 LYS 61 HZ3 LYS 61 3.537 -9.484 -15.879 344 H LEU 62 HN LEU 62 1.026 -9.492 -7.701 345 HA LEU 62 HA LEU 62 3.202 -7.643 -7.291 346 HB2 LEU 62 HB2 LEU 62 0.629 -8.093 -5.744 347 HB3 LEU 62 HB1 LEU 62 1.748 -6.768 -5.447 348 HG LEU 62 HG LEU 62 0.250 -7.213 -8.059 349 HD11 LEU 62 HD11 LEU 62 -1.302 -6.640 -6.269 350 HD12 LEU 62 HD12 LEU 62 -1.146 -5.314 -7.416 351 HD13 LEU 62 HD13 LEU 62 -0.333 -5.224 -5.852 352 HD21 LEU 62 HD21 LEU 62 1.966 -4.877 -7.156 353 HD22 LEU 62 HD22 LEU 62 1.016 -4.942 -8.643 354 HD23 LEU 62 HD23 LEU 62 2.368 -6.048 -8.415 355 H LEU 63 HN LEU 63 2.529 -10.795 -6.156 356 HA LEU 63 HA LEU 63 3.859 -10.599 -3.614 357 HB2 LEU 63 HB2 LEU 63 3.886 -13.168 -3.740 358 HB3 LEU 63 HB1 LEU 63 2.333 -12.366 -3.696 359 HG LEU 63 HG LEU 63 2.111 -12.733 -6.178 360 HD11 LEU 63 HD11 LEU 63 4.433 -13.008 -6.843 361 HD12 LEU 63 HD12 LEU 63 3.492 -14.429 -7.285 362 HD13 LEU 63 HD13 LEU 63 4.562 -14.485 -5.882 363 HD21 LEU 63 HD21 LEU 63 2.399 -15.213 -4.458 364 HD22 LEU 63 HD22 LEU 63 1.510 -15.112 -5.980 365 HD23 LEU 63 HD23 LEU 63 0.975 -14.175 -4.589 366 H GLY 64 HN GLY 64 5.808 -11.802 -3.080 367 HA2 GLY 64 HA2 GLY 64 7.949 -12.625 -3.469 368 HA3 GLY 64 HA1 GLY 64 7.789 -12.226 -5.174 369 H ASN 65 HN ASN 65 9.931 -11.359 -4.999 370 HA ASN 65 HA ASN 65 10.491 -9.095 -3.310 371 HB2 ASN 65 HB2 ASN 65 12.215 -10.789 -4.201 372 HB3 ASN 65 HB1 ASN 65 12.083 -9.975 -5.757 373 HD21 ASN 65 HD21 ASN 65 13.288 -9.768 -2.508 374 HD22 ASN 65 HD22 ASN 65 14.225 -8.340 -2.717 375 H ILE 66 HN ILE 66 10.572 -6.940 -3.895 376 HA ILE 66 HA ILE 66 8.500 -6.099 -5.583 377 HB ILE 66 HB ILE 66 10.761 -4.390 -4.477 378 HG12 ILE 66 HG12 ILE 66 8.025 -4.979 -3.246 379 HG13 ILE 66 HG11 ILE 66 9.543 -5.709 -2.725 380 HG21 ILE 66 HG21 ILE 66 9.517 -3.211 -6.233 381 HG22 ILE 66 HG22 ILE 66 9.164 -2.510 -4.657 382 HG23 ILE 66 HG23 ILE 66 7.986 -3.573 -5.424 383 HD11 ILE 66 HD11 ILE 66 8.909 -3.921 -1.260 384 HD12 ILE 66 HD12 ILE 66 8.838 -2.782 -2.602 385 HD13 ILE 66 HD13 ILE 66 10.385 -3.486 -2.112 386 H LYS 67 HN LYS 67 12.073 -5.890 -6.155 387 HA LYS 67 HA LYS 67 11.950 -4.435 -8.571 388 HB2 LYS 67 HB2 LYS 67 14.253 -5.062 -8.965 389 HB3 LYS 67 HB1 LYS 67 14.040 -4.770 -7.245 390 HG2 LYS 67 HG2 LYS 67 13.941 -7.225 -6.849 391 HG3 LYS 67 HG1 LYS 67 14.204 -7.504 -8.569 392 HD2 LYS 67 HD2 LYS 67 16.319 -7.791 -7.391 393 HD3 LYS 67 HD1 LYS 67 16.417 -6.339 -8.387 394 HE2 LYS 67 HE2 LYS 67 17.418 -5.943 -6.182 395 HE3 LYS 67 HE1 LYS 67 15.977 -4.944 -6.391 396 HZ1 LYS 67 HZ1 LYS 67 14.736 -6.482 -5.032 397 HZ2 LYS 67 HZ2 LYS 67 16.108 -5.961 -4.193 398 HZ3 LYS 67 HZ3 LYS 67 16.074 -7.505 -4.882 399 H ASN 68 HN ASN 68 11.752 -7.882 -7.924 400 HA ASN 68 HA ASN 68 11.811 -8.949 -10.523 401 HB2 ASN 68 HB2 ASN 68 12.078 -10.356 -8.528 402 HB3 ASN 68 HB1 ASN 68 10.445 -9.977 -8.000 403 HD21 ASN 68 HD21 ASN 68 8.671 -10.999 -9.049 404 HD22 ASN 68 HD22 ASN 68 8.889 -12.389 -10.049 405 H VAL 69 HN VAL 69 9.143 -7.751 -8.534 406 HA VAL 69 HA VAL 69 7.041 -8.253 -10.431 407 HB VAL 69 HB VAL 69 7.020 -6.194 -8.162 408 HG11 VAL 69 HG11 VAL 69 4.722 -7.617 -9.563 409 HG12 VAL 69 HG12 VAL 69 5.171 -5.923 -9.752 410 HG13 VAL 69 HG13 VAL 69 4.560 -6.497 -8.202 411 HG21 VAL 69 HG21 VAL 69 6.239 -9.128 -7.974 412 HG22 VAL 69 HG22 VAL 69 6.052 -7.923 -6.699 413 HG23 VAL 69 HG23 VAL 69 7.664 -8.393 -7.241 414 H ALA 70 HN ALA 70 9.178 -5.540 -9.709 415 HA ALA 70 HA ALA 70 7.692 -3.490 -11.036 416 HB1 ALA 70 HB1 ALA 70 10.549 -3.426 -10.012 417 HB2 ALA 70 HB2 ALA 70 9.111 -3.026 -9.074 418 HB3 ALA 70 HB3 ALA 70 9.565 -2.021 -10.452 419 H LYS 71 HN LYS 71 9.673 -5.896 -12.313 420 HA LYS 71 HA LYS 71 10.597 -4.302 -14.592 421 HB2 LYS 71 HB2 LYS 71 11.810 -6.242 -15.304 422 HB3 LYS 71 HB1 LYS 71 12.028 -6.111 -13.567 423 HG2 LYS 71 HG2 LYS 71 10.383 -7.897 -13.201 424 HG3 LYS 71 HG1 LYS 71 10.106 -8.011 -14.941 425 HD2 LYS 71 HD2 LYS 71 12.761 -8.583 -13.549 426 HD3 LYS 71 HD1 LYS 71 11.597 -9.805 -14.054 427 HE2 LYS 71 HE2 LYS 71 13.265 -9.800 -15.740 428 HE3 LYS 71 HE1 LYS 71 11.917 -8.919 -16.442 429 HZ1 LYS 71 HZ1 LYS 71 14.089 -7.902 -16.863 430 HZ2 LYS 71 HZ2 LYS 71 14.290 -7.644 -15.206 431 HZ3 LYS 71 HZ3 LYS 71 13.045 -6.863 -16.038 432 H THR 72 HN THR 72 7.870 -6.202 -13.716 433 HA THR 72 HA THR 72 6.916 -6.370 -16.509 434 HB THR 72 HB THR 72 7.362 -8.621 -15.645 435 HG1 THR 72 HG1 THR 72 5.278 -7.979 -16.835 436 HG21 THR 72 HG21 THR 72 6.163 -9.580 -13.730 437 HG22 THR 72 HG22 THR 72 5.365 -8.040 -13.421 438 HG23 THR 72 HG23 THR 72 7.111 -8.185 -13.206 439 H ALA 73 HN ALA 73 6.345 -5.069 -13.393 440 HA ALA 73 HA ALA 73 3.466 -4.662 -13.776 441 HB1 ALA 73 HB1 ALA 73 3.496 -3.660 -11.544 442 HB2 ALA 73 HB2 ALA 73 5.258 -3.780 -11.485 443 HB3 ALA 73 HB3 ALA 73 4.272 -5.244 -11.523 444 H ASN 74 HN ASN 74 3.294 -3.277 -15.471 445 HA ASN 74 HA ASN 74 4.611 -0.775 -15.800 446 HB2 ASN 74 HB2 ASN 74 3.365 -1.967 -17.631 447 HB3 ASN 74 HB1 ASN 74 1.851 -1.668 -16.784 448 HD21 ASN 74 HD21 ASN 74 0.962 -0.531 -18.497 449 HD22 ASN 74 HD22 ASN 74 1.490 1.048 -18.965 450 H LYS 75 HN LYS 75 3.633 1.389 -15.433 451 HA LYS 75 HA LYS 75 2.575 1.676 -12.819 452 HB2 LYS 75 HB2 LYS 75 3.961 3.426 -14.031 453 HB3 LYS 75 HB1 LYS 75 2.544 3.807 -15.004 454 HG2 LYS 75 HG2 LYS 75 2.772 5.418 -13.183 455 HG3 LYS 75 HG1 LYS 75 1.308 4.458 -12.966 456 HD2 LYS 75 HD2 LYS 75 2.253 4.550 -10.800 457 HD3 LYS 75 HD1 LYS 75 2.709 2.959 -11.387 458 HE2 LYS 75 HE2 LYS 75 4.618 3.929 -10.273 459 HE3 LYS 75 HE1 LYS 75 4.963 3.910 -12.004 460 HZ1 LYS 75 HZ1 LYS 75 3.927 6.276 -10.541 461 HZ2 LYS 75 HZ2 LYS 75 4.470 6.224 -12.141 462 HZ3 LYS 75 HZ3 LYS 75 5.561 6.001 -10.870 463 H ASP 76 HN ASP 76 1.088 1.787 -16.029 464 HA ASP 76 HA ASP 76 -1.574 2.421 -15.311 465 HB2 ASP 76 HB2 ASP 76 -0.785 2.612 -17.618 466 HB3 ASP 76 HB1 ASP 76 -0.442 0.891 -17.687 467 H HIS 77 HN HIS 77 0.158 -0.664 -15.474 468 HA HIS 77 HA HIS 77 -1.995 -2.445 -14.931 469 HB2 HIS 77 HB2 HIS 77 0.271 -3.145 -15.825 470 HB3 HIS 77 HB1 HIS 77 0.972 -2.803 -14.253 471 HD1 HIS 77 HD1 HIS 77 -0.673 -5.418 -16.200 472 HD2 HIS 77 HD2 HIS 77 0.035 -4.674 -12.167 473 HE1 HIS 77 HE1 HIS 77 -1.029 -7.614 -15.038 474 HE2 HIS 77 HE2 HIS 77 -0.795 -7.090 -12.594 475 H LEU 78 HN LEU 78 0.225 -0.582 -12.916 476 HA LEU 78 HA LEU 78 -0.570 -1.723 -10.416 477 HB2 LEU 78 HB2 LEU 78 1.085 0.728 -11.074 478 HB3 LEU 78 HB1 LEU 78 0.743 0.223 -9.420 479 HG LEU 78 HG LEU 78 2.273 -1.395 -11.495 480 HD11 LEU 78 HD11 LEU 78 3.550 0.488 -10.615 481 HD12 LEU 78 HD12 LEU 78 4.205 -1.048 -10.053 482 HD13 LEU 78 HD13 LEU 78 3.238 -0.051 -8.961 483 HD21 LEU 78 HD21 LEU 78 1.623 -2.115 -8.611 484 HD22 LEU 78 HD22 LEU 78 2.696 -3.015 -9.686 485 HD23 LEU 78 HD23 LEU 78 0.980 -2.902 -10.057 486 H VAL 79 HN VAL 79 -1.683 1.042 -12.296 487 HA VAL 79 HA VAL 79 -3.297 2.224 -10.261 488 HB VAL 79 HB VAL 79 -3.619 2.327 -13.297 489 HG11 VAL 79 HG11 VAL 79 -5.074 4.305 -12.936 490 HG12 VAL 79 HG12 VAL 79 -4.991 4.038 -11.194 491 HG13 VAL 79 HG13 VAL 79 -5.769 2.842 -12.230 492 HG21 VAL 79 HG21 VAL 79 -1.499 3.313 -12.517 493 HG22 VAL 79 HG22 VAL 79 -2.375 4.351 -11.394 494 HG23 VAL 79 HG23 VAL 79 -2.577 4.566 -13.134 495 H THR 80 HN THR 80 -3.895 -0.155 -12.805 496 HA THR 80 HA THR 80 -6.578 -0.781 -12.353 497 HB THR 80 HB THR 80 -4.342 -2.644 -13.287 498 HG1 THR 80 HG1 THR 80 -4.375 -1.445 -15.010 499 HG21 THR 80 HG21 THR 80 -6.377 -3.933 -12.739 500 HG22 THR 80 HG22 THR 80 -6.122 -3.886 -14.483 501 HG23 THR 80 HG23 THR 80 -7.347 -2.852 -13.749 502 H ALA 81 HN ALA 81 -3.644 -2.332 -10.986 503 HA ALA 81 HA ALA 81 -4.960 -4.288 -9.434 504 HB1 ALA 81 HB1 ALA 81 -2.758 -4.634 -8.386 505 HB2 ALA 81 HB2 ALA 81 -2.171 -3.129 -9.105 506 HB3 ALA 81 HB3 ALA 81 -2.612 -4.490 -10.139 507 H TYR 82 HN TYR 82 -3.614 -1.116 -8.619 508 HA TYR 82 HA TYR 82 -3.906 -1.112 -5.836 509 HB2 TYR 82 HB2 TYR 82 -2.530 0.503 -7.134 510 HB3 TYR 82 HB1 TYR 82 -3.980 1.231 -7.802 511 HD1 TYR 82 HD2 TYR 82 -2.011 0.765 -4.670 512 HD2 TYR 82 HD1 TYR 82 -5.147 2.954 -6.569 513 HE1 TYR 82 HE2 TYR 82 -2.018 2.399 -2.838 514 HE2 TYR 82 HE1 TYR 82 -5.095 4.596 -4.745 515 HH TYR 82 HH TYR 82 -2.552 4.802 -2.621 516 H ASN 83 HN ASN 83 -6.018 0.350 -8.318 517 HA ASN 83 HA ASN 83 -7.985 1.315 -6.555 518 HB2 ASN 83 HB2 ASN 83 -7.869 0.916 -9.543 519 HB3 ASN 83 HB1 ASN 83 -9.435 1.233 -8.815 520 HD21 ASN 83 HD21 ASN 83 -6.261 2.611 -9.501 521 HD22 ASN 83 HD22 ASN 83 -6.680 4.231 -9.145 522 H HIS 84 HN HIS 84 -7.796 -1.740 -8.361 523 HA HIS 84 HA HIS 84 -10.366 -2.725 -7.602 524 HB2 HIS 84 HB2 HIS 84 -7.950 -4.055 -8.847 525 HB3 HIS 84 HB1 HIS 84 -9.317 -5.026 -8.320 526 HD1 HIS 84 HD1 HIS 84 -11.730 -3.808 -9.329 527 HD2 HIS 84 HD2 HIS 84 -8.198 -3.525 -11.495 528 HE1 HIS 84 HE1 HIS 84 -12.435 -3.394 -11.704 529 HE2 HIS 84 HE2 HIS 84 -10.278 -3.074 -12.966 530 H LEU 85 HN LEU 85 -7.266 -2.749 -5.900 531 HA LEU 85 HA LEU 85 -7.724 -4.940 -4.162 532 HB2 LEU 85 HB2 LEU 85 -5.512 -3.826 -4.277 533 HB3 LEU 85 HB1 LEU 85 -6.182 -2.374 -3.589 534 HG LEU 85 HG LEU 85 -6.638 -3.563 -1.452 535 HD11 LEU 85 HD11 LEU 85 -5.726 -5.795 -1.000 536 HD12 LEU 85 HD12 LEU 85 -5.254 -5.959 -2.693 537 HD13 LEU 85 HD13 LEU 85 -6.961 -5.840 -2.258 538 HD21 LEU 85 HD21 LEU 85 -4.526 -2.339 -1.690 539 HD22 LEU 85 HD22 LEU 85 -3.730 -3.795 -2.294 540 HD23 LEU 85 HD23 LEU 85 -4.342 -3.741 -0.638 541 H PHE 86 HN PHE 86 -8.309 -1.485 -3.719 542 HA PHE 86 HA PHE 86 -9.631 -1.725 -1.178 543 HB2 PHE 86 HB2 PHE 86 -9.576 0.719 -2.981 544 HB3 PHE 86 HB1 PHE 86 -9.778 0.680 -1.225 545 HD1 PHE 86 HD2 PHE 86 -7.733 -0.216 0.175 546 HD2 PHE 86 HD1 PHE 86 -7.440 0.939 -3.912 547 HE1 PHE 86 HE2 PHE 86 -5.283 0.011 0.395 548 HE2 PHE 86 HE1 PHE 86 -5.019 1.142 -3.670 549 HZ PHE 86 HZ PHE 86 -3.935 0.674 -1.531 550 H GLU 87 HN GLU 87 -10.629 -1.797 -4.491 551 HA GLU 87 HA GLU 87 -13.384 -1.170 -4.190 552 HB2 GLU 87 HB2 GLU 87 -12.139 -1.185 -6.369 553 HB3 GLU 87 HB1 GLU 87 -12.037 -2.941 -6.273 554 HG2 GLU 87 HG2 GLU 87 -14.562 -2.999 -6.323 555 HG3 GLU 87 HG1 GLU 87 -14.542 -1.259 -6.618 556 H THR 88 HN THR 88 -11.523 -4.065 -3.574 557 HA THR 88 HA THR 88 -13.967 -5.664 -2.999 558 HB THR 88 HB THR 88 -12.347 -7.637 -3.151 559 HG1 THR 88 HG1 THR 88 -10.594 -6.010 -4.627 560 HG21 THR 88 HG21 THR 88 -12.660 -5.958 -5.667 561 HG22 THR 88 HG22 THR 88 -13.841 -7.115 -5.047 562 HG23 THR 88 HG23 THR 88 -12.270 -7.677 -5.624 563 H LYS 89 HN LYS 89 -11.179 -4.158 -1.667 564 HA LYS 89 HA LYS 89 -10.087 -4.104 0.282 565 HB2 LYS 89 HB2 LYS 89 -12.857 -4.738 1.363 566 HB3 LYS 89 HB1 LYS 89 -11.520 -4.151 2.355 567 HG2 LYS 89 HG2 LYS 89 -11.438 -2.064 1.087 568 HG3 LYS 89 HG1 LYS 89 -12.682 -2.651 -0.021 569 HD2 LYS 89 HD2 LYS 89 -14.307 -2.699 1.855 570 HD3 LYS 89 HD1 LYS 89 -13.060 -2.082 2.950 571 HE2 LYS 89 HE2 LYS 89 -12.911 -0.017 1.625 572 HE3 LYS 89 HE1 LYS 89 -14.094 -0.642 0.476 573 HZ1 LYS 89 HZ1 LYS 89 -14.584 -0.031 3.335 574 HZ2 LYS 89 HZ2 LYS 89 -15.725 -0.680 2.264 575 HZ3 LYS 89 HZ3 LYS 89 -15.113 0.876 2.006 576 H ARG 90 HN ARG 90 -9.534 -6.367 -0.979 577 HA ARG 90 HA ARG 90 -9.758 -8.785 0.552 578 HB2 ARG 90 HB2 ARG 90 -7.801 -8.000 -1.646 579 HB3 ARG 90 HB1 ARG 90 -7.982 -9.633 -1.008 580 HG2 ARG 90 HG2 ARG 90 -10.233 -9.793 -1.856 581 HG3 ARG 90 HG1 ARG 90 -10.223 -8.095 -2.338 582 HD2 ARG 90 HD2 ARG 90 -8.435 -8.568 -3.970 583 HD3 ARG 90 HD1 ARG 90 -8.457 -10.274 -3.497 584 HE ARG 90 HE ARG 90 -11.058 -9.575 -4.230 585 HH11 ARG 90 HH11 ARG 90 -7.950 -9.833 -5.817 586 HH12 ARG 90 HH12 ARG 90 -8.620 -10.254 -7.354 587 HH21 ARG 90 HH21 ARG 90 -11.944 -10.103 -6.243 588 HH22 ARG 90 HH22 ARG 90 -10.903 -10.397 -7.597 589 H PHE 91 HN PHE 91 -7.779 -6.047 0.849 590 HA PHE 91 HA PHE 91 -5.472 -7.202 2.080 591 HB2 PHE 91 HB2 PHE 91 -4.881 -4.873 2.653 592 HB3 PHE 91 HB1 PHE 91 -5.359 -5.014 0.969 593 HD1 PHE 91 HD2 PHE 91 -6.346 -3.640 4.281 594 HD2 PHE 91 HD1 PHE 91 -7.356 -3.899 0.142 595 HE1 PHE 91 HE2 PHE 91 -7.953 -1.808 4.553 596 HE2 PHE 91 HE1 PHE 91 -8.969 -2.054 0.438 597 HZ PHE 91 HZ PHE 91 -9.266 -1.010 2.639 598 H LYS 92 HN LYS 92 -4.840 -6.953 4.307 599 HA LYS 92 HA LYS 92 -6.926 -6.936 6.321 600 HB2 LYS 92 HB2 LYS 92 -4.942 -7.201 7.933 601 HB3 LYS 92 HB1 LYS 92 -5.171 -8.510 6.782 602 HG2 LYS 92 HG2 LYS 92 -3.357 -7.570 5.372 603 HG3 LYS 92 HG1 LYS 92 -3.111 -6.290 6.560 604 HD2 LYS 92 HD2 LYS 92 -2.439 -7.947 8.246 605 HD3 LYS 92 HD1 LYS 92 -2.769 -9.265 7.115 606 HE2 LYS 92 HE2 LYS 92 -0.969 -8.460 5.629 607 HE3 LYS 92 HE1 LYS 92 -0.653 -7.108 6.722 608 HZ1 LYS 92 HZ1 LYS 92 -0.328 -9.984 7.364 609 HZ2 LYS 92 HZ2 LYS 92 -0.042 -8.702 8.433 610 HZ3 LYS 92 HZ3 LYS 92 0.919 -8.885 7.055 Start of MODEL 7 1 H MET 20 H MET 20 -7.212 -0.660 20.338 2 HA MET 20 HA MET 20 -6.019 -2.047 18.852 3 HB2 MET 20 HB2 MET 20 -6.955 -4.322 20.650 4 HB3 MET 20 HB1 MET 20 -6.242 -4.563 19.056 5 HG2 MET 20 HG2 MET 20 -4.878 -3.291 21.440 6 HG3 MET 20 HG1 MET 20 -4.578 -4.910 20.799 7 HE1 MET 20 HE1 MET 20 -2.931 -4.101 17.304 8 HE2 MET 20 HE2 MET 20 -4.645 -4.379 17.606 9 HE3 MET 20 HE3 MET 20 -3.434 -5.377 18.414 10 H ALA 21 HN ALA 21 -7.152 -2.017 17.031 11 HA ALA 21 HA ALA 21 -9.899 -3.047 16.879 12 HB1 ALA 21 HB1 ALA 21 -9.113 -0.232 15.998 13 HB2 ALA 21 HB2 ALA 21 -10.148 -0.632 17.367 14 HB3 ALA 21 HB3 ALA 21 -10.685 -0.997 15.729 15 H ALA 22 HN ALA 22 -10.297 -4.013 14.924 16 HA ALA 22 HA ALA 22 -8.032 -4.496 13.170 17 HB1 ALA 22 HB1 ALA 22 -9.459 -6.216 12.153 18 HB2 ALA 22 HB2 ALA 22 -10.843 -5.646 13.089 19 HB3 ALA 22 HB3 ALA 22 -9.460 -6.367 13.913 20 H ALA 23 HN ALA 23 -7.810 -2.410 12.228 21 HA ALA 23 HA ALA 23 -9.929 -1.272 10.602 22 HB1 ALA 23 HB1 ALA 23 -8.303 0.503 10.094 23 HB2 ALA 23 HB2 ALA 23 -7.023 -0.416 10.891 24 HB3 ALA 23 HB3 ALA 23 -8.379 0.205 11.830 25 H VAL 24 HN VAL 24 -9.507 -0.697 8.341 26 HA VAL 24 HA VAL 24 -8.100 -2.820 6.838 27 HB VAL 24 HB VAL 24 -9.757 -2.418 5.003 28 HG11 VAL 24 HG11 VAL 24 -11.650 -3.610 6.086 29 HG12 VAL 24 HG12 VAL 24 -10.955 -3.256 7.670 30 HG13 VAL 24 HG13 VAL 24 -10.084 -4.290 6.534 31 HG21 VAL 24 HG21 VAL 24 -10.485 -0.113 5.535 32 HG22 VAL 24 HG22 VAL 24 -11.247 -0.675 7.023 33 HG23 VAL 24 HG23 VAL 24 -11.876 -1.196 5.459 34 HA PRO 25 HA PRO 25 -5.235 0.269 5.276 35 HB2 PRO 25 HB2 PRO 25 -5.538 -1.299 2.703 36 HB3 PRO 25 HB1 PRO 25 -4.066 -0.741 3.520 37 HG2 PRO 25 HG2 PRO 25 -4.820 -3.278 3.733 38 HG3 PRO 25 HG1 PRO 25 -4.170 -2.415 5.144 39 HD2 PRO 25 HD2 PRO 25 -7.018 -3.150 4.519 40 HD3 PRO 25 HD1 PRO 25 -6.185 -3.093 6.088 41 H GLN 26 HN GLN 26 -6.023 2.268 4.914 42 HA GLN 26 HA GLN 26 -7.812 2.959 2.748 43 HB2 GLN 26 HB2 GLN 26 -5.934 4.702 4.412 44 HB3 GLN 26 HB1 GLN 26 -7.143 5.310 3.281 45 HG2 GLN 26 HG2 GLN 26 -8.919 4.248 4.699 46 HG3 GLN 26 HG1 GLN 26 -7.670 3.806 5.868 47 HE21 GLN 26 HE21 GLN 26 -6.600 5.493 7.023 48 HE22 GLN 26 HE22 GLN 26 -7.307 7.062 7.173 49 H ARG 27 HN ARG 27 -7.002 4.580 1.043 50 HA ARG 27 HA ARG 27 -4.889 3.481 -0.457 51 HB2 ARG 27 HB2 ARG 27 -5.272 5.132 -2.091 52 HB3 ARG 27 HB1 ARG 27 -6.843 4.872 -1.357 53 HG2 ARG 27 HG2 ARG 27 -5.004 7.230 -0.823 54 HG3 ARG 27 HG1 ARG 27 -6.417 7.240 -1.871 55 HD2 ARG 27 HD2 ARG 27 -6.405 6.816 1.135 56 HD3 ARG 27 HD1 ARG 27 -6.913 8.278 0.292 57 HE ARG 27 HE ARG 27 -8.565 6.412 -0.755 58 HH11 ARG 27 HH11 ARG 27 -7.778 7.158 2.595 59 HH12 ARG 27 HH12 ARG 27 -9.363 6.751 3.176 60 HH21 ARG 27 HH21 ARG 27 -10.618 5.896 0.024 61 HH22 ARG 27 HH22 ARG 27 -10.968 6.035 1.721 62 H ALA 28 HN ALA 28 -2.772 3.923 -0.568 63 HA ALA 28 HA ALA 28 -1.487 5.449 1.529 64 HB1 ALA 28 HB1 ALA 28 0.615 4.640 0.498 65 HB2 ALA 28 HB2 ALA 28 -0.308 3.960 -0.846 66 HB3 ALA 28 HB3 ALA 28 -0.523 3.322 0.784 67 H TRP 29 HN TRP 29 -1.881 5.641 -1.978 68 HA TRP 29 HA TRP 29 -1.515 8.568 -1.964 69 HB2 TRP 29 HB2 TRP 29 -0.360 6.734 -4.129 70 HB3 TRP 29 HB1 TRP 29 -0.193 8.482 -4.043 71 HD1 TRP 29 HD1 TRP 29 1.529 9.442 -2.097 72 HE1 TRP 29 HE1 TRP 29 3.560 8.328 -0.977 73 HE3 TRP 29 HE3 TRP 29 0.601 4.571 -3.360 74 HZ2 TRP 29 HZ2 TRP 29 4.625 5.730 -0.661 75 HZ3 TRP 29 HZ3 TRP 29 2.165 2.831 -2.603 76 HH2 TRP 29 HH2 TRP 29 4.137 3.404 -1.279 77 H THR 30 HN THR 30 -2.604 9.565 -3.864 78 HA THR 30 HA THR 30 -5.076 8.147 -4.599 79 HB THR 30 HB THR 30 -5.713 10.335 -5.670 80 HG1 THR 30 HG1 THR 30 -4.287 12.126 -5.328 81 HG21 THR 30 HG21 THR 30 -4.738 10.648 -2.799 82 HG22 THR 30 HG22 THR 30 -6.296 9.978 -3.287 83 HG23 THR 30 HG23 THR 30 -5.931 11.674 -3.604 84 H VAL 31 HN VAL 31 -5.719 8.442 -7.065 85 HA VAL 31 HA VAL 31 -3.904 6.835 -8.506 86 HB VAL 31 HB VAL 31 -6.300 6.684 -8.964 87 HG11 VAL 31 HG11 VAL 31 -6.977 9.027 -8.694 88 HG12 VAL 31 HG12 VAL 31 -7.543 8.402 -10.244 89 HG13 VAL 31 HG13 VAL 31 -6.135 9.468 -10.181 90 HG21 VAL 31 HG21 VAL 31 -6.245 6.575 -11.435 91 HG22 VAL 31 HG22 VAL 31 -4.750 5.951 -10.741 92 HG23 VAL 31 HG23 VAL 31 -4.782 7.563 -11.454 93 H GLU 32 HN GLU 32 -4.569 10.315 -8.672 94 HA GLU 32 HA GLU 32 -2.933 10.992 -10.863 95 HB2 GLU 32 HB2 GLU 32 -3.106 13.308 -10.048 96 HB3 GLU 32 HB1 GLU 32 -4.667 12.497 -9.956 97 HG2 GLU 32 HG2 GLU 32 -4.263 12.102 -7.511 98 HG3 GLU 32 HG1 GLU 32 -2.777 13.041 -7.641 99 H GLN 33 HN GLN 33 -2.195 10.668 -7.402 100 HA GLN 33 HA GLN 33 0.513 11.532 -7.517 101 HB2 GLN 33 HB2 GLN 33 -0.949 9.812 -5.487 102 HB3 GLN 33 HB1 GLN 33 0.731 10.310 -5.291 103 HG2 GLN 33 HG2 GLN 33 0.003 12.692 -5.329 104 HG3 GLN 33 HG1 GLN 33 -1.677 12.158 -5.449 105 HE21 GLN 33 HE21 GLN 33 -2.692 11.314 -3.600 106 HE22 GLN 33 HE22 GLN 33 -1.990 11.398 -2.022 107 H LEU 34 HN LEU 34 -1.044 8.374 -7.854 108 HA LEU 34 HA LEU 34 1.265 6.725 -7.692 109 HB2 LEU 34 HB2 LEU 34 -1.407 6.249 -9.056 110 HB3 LEU 34 HB1 LEU 34 -0.184 5.005 -8.833 111 HG LEU 34 HG LEU 34 -1.570 6.460 -6.547 112 HD11 LEU 34 HD11 LEU 34 -3.174 5.132 -7.822 113 HD12 LEU 34 HD12 LEU 34 -2.872 4.425 -6.239 114 HD13 LEU 34 HD13 LEU 34 -2.138 3.707 -7.675 115 HD21 LEU 34 HD21 LEU 34 0.658 5.592 -5.940 116 HD22 LEU 34 HD22 LEU 34 0.194 3.984 -6.503 117 HD23 LEU 34 HD23 LEU 34 -0.628 4.708 -5.118 118 H ARG 35 HN ARG 35 -0.600 7.939 -10.473 119 HA ARG 35 HA ARG 35 0.878 6.589 -12.459 120 HB2 ARG 35 HB2 ARG 35 -0.392 7.883 -14.088 121 HB3 ARG 35 HB1 ARG 35 -1.455 7.308 -12.806 122 HG2 ARG 35 HG2 ARG 35 -1.647 9.487 -11.836 123 HG3 ARG 35 HG1 ARG 35 -0.305 10.118 -12.790 124 HD2 ARG 35 HD2 ARG 35 -3.012 9.270 -13.872 125 HD3 ARG 35 HD1 ARG 35 -2.452 10.933 -13.670 126 HE ARG 35 HE ARG 35 -1.867 9.145 -15.823 127 HH11 ARG 35 HH11 ARG 35 -0.494 11.884 -14.075 128 HH12 ARG 35 HH12 ARG 35 0.589 12.297 -15.363 129 HH21 ARG 35 HH21 ARG 35 -0.454 9.728 -17.476 130 HH22 ARG 35 HH22 ARG 35 0.608 11.084 -17.279 131 H SER 36 HN SER 36 1.418 9.556 -10.810 132 HA SER 36 HA SER 36 3.010 10.986 -12.626 133 HB2 SER 36 HB2 SER 36 2.073 11.886 -10.481 134 HB3 SER 36 HB1 SER 36 3.252 10.930 -9.585 135 HG SER 36 HG SER 36 4.031 12.795 -11.573 136 H GLU 37 HN GLU 37 5.121 10.834 -13.214 137 HA GLU 37 HA GLU 37 6.404 8.317 -13.004 138 HB2 GLU 37 HB2 GLU 37 7.427 10.941 -14.168 139 HB3 GLU 37 HB1 GLU 37 8.267 9.408 -14.318 140 HG2 GLU 37 HG2 GLU 37 7.154 9.767 -16.379 141 HG3 GLU 37 HG1 GLU 37 6.251 8.502 -15.549 142 H GLN 38 HN GLN 38 6.664 11.203 -11.084 143 HA GLN 38 HA GLN 38 9.264 10.764 -9.981 144 HB2 GLN 38 HB2 GLN 38 8.661 12.434 -8.305 145 HB3 GLN 38 HB1 GLN 38 8.172 12.972 -9.905 146 HG2 GLN 38 HG2 GLN 38 5.836 12.320 -9.401 147 HG3 GLN 38 HG1 GLN 38 6.328 11.816 -7.786 148 HE21 GLN 38 HE21 GLN 38 4.983 13.302 -6.756 149 HE22 GLN 38 HE22 GLN 38 5.268 15.006 -6.779 150 H LEU 39 HN LEU 39 6.076 9.482 -9.226 151 HA LEU 39 HA LEU 39 6.951 8.272 -6.713 152 HB2 LEU 39 HB2 LEU 39 4.560 9.192 -7.300 153 HB3 LEU 39 HB1 LEU 39 4.321 7.645 -8.090 154 HG LEU 39 HG LEU 39 5.057 7.945 -5.142 155 HD11 LEU 39 HD11 LEU 39 2.304 7.507 -6.309 156 HD12 LEU 39 HD12 LEU 39 2.893 8.983 -5.544 157 HD13 LEU 39 HD13 LEU 39 2.732 7.512 -4.594 158 HD21 LEU 39 HD21 LEU 39 4.279 5.631 -4.877 159 HD22 LEU 39 HD22 LEU 39 5.635 5.728 -5.997 160 HD23 LEU 39 HD23 LEU 39 3.996 5.511 -6.617 161 HA PRO 40 HA PRO 40 8.496 4.847 -9.288 162 HB2 PRO 40 HB2 PRO 40 9.852 3.480 -7.363 163 HB3 PRO 40 HB1 PRO 40 10.454 5.006 -8.024 164 HG2 PRO 40 HG2 PRO 40 8.929 4.525 -5.469 165 HG3 PRO 40 HG1 PRO 40 10.390 5.505 -5.727 166 HD2 PRO 40 HD2 PRO 40 7.893 6.606 -5.611 167 HD3 PRO 40 HD1 PRO 40 9.188 7.298 -6.615 168 H LYS 41 HN LYS 41 7.978 2.724 -9.613 169 HA LYS 41 HA LYS 41 5.357 1.931 -8.845 170 HB2 LYS 41 HB2 LYS 41 7.522 0.443 -10.387 171 HB3 LYS 41 HB1 LYS 41 5.828 -0.035 -10.303 172 HG2 LYS 41 HG2 LYS 41 5.158 2.064 -11.414 173 HG3 LYS 41 HG1 LYS 41 6.850 2.570 -11.490 174 HD2 LYS 41 HD2 LYS 41 5.600 0.179 -12.893 175 HD3 LYS 41 HD1 LYS 41 6.134 1.680 -13.652 176 HE2 LYS 41 HE2 LYS 41 8.460 1.181 -13.101 177 HE3 LYS 41 HE1 LYS 41 7.978 -0.254 -12.193 178 HZ1 LYS 41 HZ1 LYS 41 8.738 -0.943 -14.283 179 HZ2 LYS 41 HZ2 LYS 41 7.785 0.181 -15.106 180 HZ3 LYS 41 HZ3 LYS 41 7.057 -1.124 -14.309 181 H LYS 42 HN LYS 42 8.493 1.222 -7.594 182 HA LYS 42 HA LYS 42 8.065 -1.265 -6.337 183 HB2 LYS 42 HB2 LYS 42 10.096 -0.726 -5.061 184 HB3 LYS 42 HB1 LYS 42 10.302 -0.281 -6.752 185 HG2 LYS 42 HG2 LYS 42 9.727 2.105 -6.100 186 HG3 LYS 42 HG1 LYS 42 9.770 1.584 -4.417 187 HD2 LYS 42 HD2 LYS 42 11.884 2.636 -4.977 188 HD3 LYS 42 HD1 LYS 42 12.149 0.913 -4.707 189 HE2 LYS 42 HE2 LYS 42 12.278 0.509 -7.107 190 HE3 LYS 42 HE1 LYS 42 11.849 2.186 -7.453 191 HZ1 LYS 42 HZ1 LYS 42 14.210 1.768 -7.674 192 HZ2 LYS 42 HZ2 LYS 42 14.304 1.288 -6.055 193 HZ3 LYS 42 HZ3 LYS 42 13.907 2.886 -6.443 194 H ASP 43 HN ASP 43 7.388 2.038 -5.368 195 HA ASP 43 HA ASP 43 6.765 1.547 -2.631 196 HB2 ASP 43 HB2 ASP 43 6.389 3.861 -4.542 197 HB3 ASP 43 HB1 ASP 43 5.516 3.878 -3.016 198 H ILE 44 HN ILE 44 4.892 1.645 -5.592 199 HA ILE 44 HA ILE 44 2.311 1.557 -4.394 200 HB ILE 44 HB ILE 44 3.098 0.655 -7.209 201 HG12 ILE 44 HG12 ILE 44 2.272 3.434 -6.232 202 HG13 ILE 44 HG11 ILE 44 3.890 2.967 -6.741 203 HG21 ILE 44 HG21 ILE 44 0.823 -0.076 -6.567 204 HG22 ILE 44 HG22 ILE 44 0.748 1.167 -7.814 205 HG23 ILE 44 HG23 ILE 44 0.396 1.583 -6.136 206 HD11 ILE 44 HD11 ILE 44 3.066 2.602 -9.015 207 HD12 ILE 44 HD12 ILE 44 2.755 4.244 -8.452 208 HD13 ILE 44 HD13 ILE 44 1.442 3.071 -8.501 209 H ILE 45 HN ILE 45 4.343 -0.960 -5.946 210 HA ILE 45 HA ILE 45 2.716 -3.199 -5.432 211 HB ILE 45 HB ILE 45 5.754 -3.066 -5.700 212 HG12 ILE 45 HG12 ILE 45 3.633 -3.682 -7.810 213 HG13 ILE 45 HG11 ILE 45 4.496 -2.156 -7.665 214 HG21 ILE 45 HG21 ILE 45 5.693 -5.463 -6.321 215 HG22 ILE 45 HG22 ILE 45 3.962 -5.515 -5.979 216 HG23 ILE 45 HG23 ILE 45 5.112 -5.214 -4.675 217 HD11 ILE 45 HD11 ILE 45 5.699 -4.835 -8.355 218 HD12 ILE 45 HD12 ILE 45 6.606 -3.334 -8.155 219 HD13 ILE 45 HD13 ILE 45 5.417 -3.481 -9.448 220 H LYS 46 HN LYS 46 5.217 -1.628 -3.424 221 HA LYS 46 HA LYS 46 5.289 -3.454 -1.295 222 HB2 LYS 46 HB2 LYS 46 6.993 -1.815 -1.257 223 HB3 LYS 46 HB1 LYS 46 5.856 -0.485 -1.441 224 HG2 LYS 46 HG2 LYS 46 5.189 -0.563 0.827 225 HG3 LYS 46 HG1 LYS 46 5.844 -2.183 1.069 226 HD2 LYS 46 HD2 LYS 46 7.672 0.149 0.415 227 HD3 LYS 46 HD1 LYS 46 7.131 -0.137 2.071 228 HE2 LYS 46 HE2 LYS 46 8.636 -2.140 0.349 229 HE3 LYS 46 HE1 LYS 46 9.345 -1.145 1.623 230 HZ1 LYS 46 HZ1 LYS 46 7.877 -2.221 3.225 231 HZ2 LYS 46 HZ2 LYS 46 8.835 -3.358 2.421 232 HZ3 LYS 46 HZ3 LYS 46 7.214 -3.173 2.000 233 H PHE 47 HN PHE 47 3.206 -0.573 -1.737 234 HA PHE 47 HA PHE 47 1.643 -0.744 0.575 235 HB2 PHE 47 HB2 PHE 47 1.414 1.228 -0.789 236 HB3 PHE 47 HB1 PHE 47 1.002 0.291 -2.220 237 HD1 PHE 47 HD2 PHE 47 -0.325 0.570 1.283 238 HD2 PHE 47 HD1 PHE 47 -1.258 0.572 -2.882 239 HE1 PHE 47 HE2 PHE 47 -2.701 0.825 1.826 240 HE2 PHE 47 HE1 PHE 47 -3.650 0.815 -2.329 241 HZ PHE 47 HZ PHE 47 -4.371 0.928 0.034 242 H LEU 48 HN LEU 48 1.229 -2.315 -2.551 243 HA LEU 48 HA LEU 48 -1.289 -3.509 -2.002 244 HB2 LEU 48 HB2 LEU 48 0.769 -4.107 -4.157 245 HB3 LEU 48 HB1 LEU 48 -0.881 -4.718 -4.149 246 HG LEU 48 HG LEU 48 -0.098 -1.775 -4.319 247 HD11 LEU 48 HD11 LEU 48 0.448 -2.953 -6.390 248 HD12 LEU 48 HD12 LEU 48 -0.899 -1.846 -6.636 249 HD13 LEU 48 HD13 LEU 48 -1.201 -3.581 -6.493 250 HD21 LEU 48 HD21 LEU 48 -2.860 -3.030 -4.482 251 HD22 LEU 48 HD22 LEU 48 -2.481 -1.326 -4.748 252 HD23 LEU 48 HD23 LEU 48 -2.236 -2.042 -3.156 253 H GLN 49 HN GLN 49 2.069 -4.718 -1.686 254 HA GLN 49 HA GLN 49 1.130 -7.434 -1.194 255 HB2 GLN 49 HB2 GLN 49 3.401 -8.183 -1.223 256 HB3 GLN 49 HB1 GLN 49 3.187 -7.061 -2.561 257 HG2 GLN 49 HG2 GLN 49 4.371 -5.322 -1.352 258 HG3 GLN 49 HG1 GLN 49 4.467 -6.335 0.088 259 HE21 GLN 49 HE21 GLN 49 5.052 -7.410 -3.259 260 HE22 GLN 49 HE22 GLN 49 6.729 -7.749 -3.034 261 H GLU 50 HN GLU 50 2.349 -4.775 0.713 262 HA GLU 50 HA GLU 50 3.213 -6.263 2.977 263 HB2 GLU 50 HB2 GLU 50 4.024 -3.986 2.293 264 HB3 GLU 50 HB1 GLU 50 2.484 -3.313 2.807 265 HG2 GLU 50 HG2 GLU 50 2.948 -3.943 5.122 266 HG3 GLU 50 HG1 GLU 50 4.447 -4.734 4.632 267 H HIS 51 HN HIS 51 0.177 -4.644 2.157 268 HA HIS 51 HA HIS 51 -1.159 -6.027 4.353 269 HB2 HIS 51 HB2 HIS 51 -2.406 -3.891 5.013 270 HB3 HIS 51 HB1 HIS 51 -0.743 -4.050 5.542 271 HD1 HIS 51 HD1 HIS 51 -2.510 -1.386 5.155 272 HD2 HIS 51 HD2 HIS 51 0.626 -2.689 2.766 273 HE1 HIS 51 HE1 HIS 51 -1.541 0.686 4.132 274 HE2 HIS 51 HE2 HIS 51 0.420 -0.119 2.774 275 H GLY 52 HN GLY 52 -1.190 -5.655 1.157 276 HA2 GLY 52 HA2 GLY 52 -4.107 -6.177 0.995 277 HA3 GLY 52 HA1 GLY 52 -3.006 -5.974 -0.364 278 H SER 53 HN SER 53 -4.840 -8.237 0.087 279 HA SER 53 HA SER 53 -3.550 -10.404 1.406 280 HB2 SER 53 HB2 SER 53 -5.413 -11.780 0.497 281 HB3 SER 53 HB1 SER 53 -5.987 -10.286 1.237 282 HG SER 53 HG SER 53 -7.038 -10.303 -0.635 283 H ASP 54 HN ASP 54 -3.045 -12.486 0.474 284 HA ASP 54 HA ASP 54 -1.009 -12.347 -1.498 285 HB2 ASP 54 HB2 ASP 54 -0.909 -13.917 0.383 286 HB3 ASP 54 HB1 ASP 54 -2.372 -14.722 -0.158 287 H SER 55 HN SER 55 -4.334 -13.536 -1.550 288 HA SER 55 HA SER 55 -4.307 -14.778 -4.106 289 HB2 SER 55 HB2 SER 55 -5.992 -15.197 -2.273 290 HB3 SER 55 HB1 SER 55 -6.715 -13.630 -2.636 291 HG SER 55 HG SER 55 -6.360 -15.662 -4.581 292 H PHE 56 HN PHE 56 -4.963 -11.506 -3.012 293 HA PHE 56 HA PHE 56 -5.764 -10.334 -5.465 294 HB2 PHE 56 HB2 PHE 56 -6.181 -9.064 -3.493 295 HB3 PHE 56 HB1 PHE 56 -4.541 -9.278 -2.897 296 HD1 PHE 56 HD1 PHE 56 -6.310 -7.742 -5.848 297 HD2 PHE 56 HD2 PHE 56 -3.122 -7.427 -3.018 298 HE1 PHE 56 HE1 PHE 56 -5.693 -5.561 -6.773 299 HE2 PHE 56 HE2 PHE 56 -2.511 -5.248 -3.960 300 HZ PHE 56 HZ PHE 56 -3.794 -4.310 -5.835 301 H LEU 57 HN LEU 57 -2.567 -10.698 -3.905 302 HA LEU 57 HA LEU 57 -1.020 -9.291 -5.806 303 HB2 LEU 57 HB2 LEU 57 -0.128 -11.597 -4.028 304 HB3 LEU 57 HB1 LEU 57 0.930 -10.419 -4.802 305 HG LEU 57 HG LEU 57 -1.084 -9.853 -2.599 306 HD11 LEU 57 HD11 LEU 57 0.929 -11.030 -1.845 307 HD12 LEU 57 HD12 LEU 57 0.854 -9.391 -1.210 308 HD13 LEU 57 HD13 LEU 57 1.938 -9.765 -2.554 309 HD21 LEU 57 HD21 LEU 57 0.769 -7.904 -4.011 310 HD22 LEU 57 HD22 LEU 57 -0.252 -7.550 -2.618 311 HD23 LEU 57 HD23 LEU 57 -0.991 -7.957 -4.159 312 H ALA 58 HN ALA 58 -1.825 -12.689 -5.515 313 HA ALA 58 HA ALA 58 -0.153 -13.914 -7.309 314 HB1 ALA 58 HB1 ALA 58 -1.554 -15.069 -5.654 315 HB2 ALA 58 HB2 ALA 58 -1.744 -15.766 -7.262 316 HB3 ALA 58 HB3 ALA 58 -2.994 -14.703 -6.610 317 H GLU 59 HN GLU 59 -3.007 -12.044 -8.022 318 HA GLU 59 HA GLU 59 -3.778 -12.989 -10.539 319 HB2 GLU 59 HB2 GLU 59 -3.840 -10.116 -9.530 320 HB3 GLU 59 HB1 GLU 59 -4.793 -10.748 -10.874 321 HG2 GLU 59 HG2 GLU 59 -6.005 -12.236 -9.320 322 HG3 GLU 59 HG1 GLU 59 -5.026 -11.640 -7.977 323 H HIS 60 HN HIS 60 -1.456 -10.366 -9.767 324 HA HIS 60 HA HIS 60 -0.337 -10.514 -12.516 325 HB2 HIS 60 HB2 HIS 60 -1.229 -8.271 -11.890 326 HB3 HIS 60 HB1 HIS 60 -0.151 -8.221 -10.500 327 HD1 HIS 60 HD1 HIS 60 2.330 -7.694 -10.937 328 HD2 HIS 60 HD2 HIS 60 0.059 -7.890 -14.404 329 HE1 HIS 60 HE1 HIS 60 3.850 -6.919 -12.774 330 HE2 HIS 60 HE2 HIS 60 2.426 -6.957 -14.838 331 H LYS 61 HN LYS 61 0.235 -11.666 -9.495 332 HA LYS 61 HA LYS 61 1.932 -12.354 -8.211 333 HB2 LYS 61 HB2 LYS 61 3.673 -12.091 -10.697 334 HB3 LYS 61 HB1 LYS 61 4.104 -12.971 -9.232 335 HG2 LYS 61 HG2 LYS 61 2.207 -14.530 -9.647 336 HG3 LYS 61 HG1 LYS 61 1.833 -13.658 -11.135 337 HD2 LYS 61 HD2 LYS 61 3.129 -15.724 -11.579 338 HD3 LYS 61 HD1 LYS 61 4.004 -14.278 -12.087 339 HE2 LYS 61 HE2 LYS 61 5.466 -15.938 -10.942 340 HE3 LYS 61 HE1 LYS 61 5.428 -14.391 -10.098 341 HZ1 LYS 61 HZ1 LYS 61 3.858 -15.322 -8.525 342 HZ2 LYS 61 HZ2 LYS 61 5.262 -16.266 -8.581 343 HZ3 LYS 61 HZ3 LYS 61 3.857 -16.793 -9.353 344 H LEU 62 HN LEU 62 1.319 -10.000 -7.538 345 HA LEU 62 HA LEU 62 3.483 -8.057 -7.585 346 HB2 LEU 62 HB2 LEU 62 0.869 -8.108 -6.030 347 HB3 LEU 62 HB1 LEU 62 1.978 -6.743 -6.072 348 HG LEU 62 HG LEU 62 0.508 -7.849 -8.503 349 HD11 LEU 62 HD11 LEU 62 -0.924 -5.859 -8.360 350 HD12 LEU 62 HD12 LEU 62 -0.132 -5.382 -6.856 351 HD13 LEU 62 HD13 LEU 62 -1.080 -6.870 -6.925 352 HD21 LEU 62 HD21 LEU 62 1.250 -5.786 -9.638 353 HD22 LEU 62 HD22 LEU 62 2.623 -6.751 -9.110 354 HD23 LEU 62 HD23 LEU 62 2.164 -5.309 -8.202 355 H LEU 63 HN LEU 63 3.023 -10.858 -6.002 356 HA LEU 63 HA LEU 63 4.091 -10.214 -3.392 357 HB2 LEU 63 HB2 LEU 63 4.144 -12.857 -3.281 358 HB3 LEU 63 HB1 LEU 63 2.627 -11.991 -3.195 359 HG LEU 63 HG LEU 63 2.303 -12.460 -5.674 360 HD11 LEU 63 HD11 LEU 63 4.596 -12.940 -6.324 361 HD12 LEU 63 HD12 LEU 63 3.543 -14.296 -6.715 362 HD13 LEU 63 HD13 LEU 63 4.608 -14.384 -5.308 363 HD21 LEU 63 HD21 LEU 63 2.425 -14.884 -3.853 364 HD22 LEU 63 HD22 LEU 63 1.482 -14.742 -5.339 365 HD23 LEU 63 HD23 LEU 63 1.097 -13.723 -3.955 366 H GLY 64 HN GLY 64 6.044 -11.122 -2.578 367 HA2 GLY 64 HA2 GLY 64 8.184 -12.005 -2.643 368 HA3 GLY 64 HA1 GLY 64 8.060 -12.171 -4.386 369 H ASN 65 HN ASN 65 9.982 -11.265 -4.907 370 HA ASN 65 HA ASN 65 11.175 -8.989 -3.698 371 HB2 ASN 65 HB2 ASN 65 11.753 -10.307 -6.390 372 HB3 ASN 65 HB1 ASN 65 12.815 -9.168 -5.571 373 HD21 ASN 65 HD21 ASN 65 13.161 -12.024 -6.381 374 HD22 ASN 65 HD22 ASN 65 13.680 -12.832 -4.946 375 H ILE 66 HN ILE 66 10.454 -6.971 -3.899 376 HA ILE 66 HA ILE 66 8.246 -6.223 -5.403 377 HB ILE 66 HB ILE 66 10.310 -4.362 -4.134 378 HG12 ILE 66 HG12 ILE 66 7.717 -5.529 -3.004 379 HG13 ILE 66 HG11 ILE 66 9.344 -5.968 -2.499 380 HG21 ILE 66 HG21 ILE 66 7.428 -3.796 -4.928 381 HG22 ILE 66 HG22 ILE 66 8.864 -3.160 -5.728 382 HG23 ILE 66 HG23 ILE 66 8.498 -2.683 -4.073 383 HD11 ILE 66 HD11 ILE 66 8.005 -3.286 -2.099 384 HD12 ILE 66 HD12 ILE 66 9.663 -3.674 -1.632 385 HD13 ILE 66 HD13 ILE 66 8.313 -4.513 -0.871 386 H LYS 67 HN LYS 67 11.655 -5.367 -6.032 387 HA LYS 67 HA LYS 67 11.075 -3.691 -8.296 388 HB2 LYS 67 HB2 LYS 67 13.838 -4.829 -7.695 389 HB3 LYS 67 HB1 LYS 67 13.434 -3.355 -8.562 390 HG2 LYS 67 HG2 LYS 67 14.099 -2.426 -6.565 391 HG3 LYS 67 HG1 LYS 67 12.386 -2.651 -6.205 392 HD2 LYS 67 HD2 LYS 67 12.995 -4.873 -5.123 393 HD3 LYS 67 HD1 LYS 67 14.691 -4.456 -5.362 394 HE2 LYS 67 HE2 LYS 67 12.704 -2.885 -3.703 395 HE3 LYS 67 HE1 LYS 67 13.911 -4.002 -3.073 396 HZ1 LYS 67 HZ1 LYS 67 15.646 -2.581 -3.954 397 HZ2 LYS 67 HZ2 LYS 67 14.643 -1.704 -2.917 398 HZ3 LYS 67 HZ3 LYS 67 14.497 -1.520 -4.588 399 H ASN 68 HN ASN 68 11.997 -7.017 -7.805 400 HA ASN 68 HA ASN 68 12.539 -7.806 -10.472 401 HB2 ASN 68 HB2 ASN 68 13.080 -9.204 -8.495 402 HB3 ASN 68 HB1 ASN 68 11.369 -9.430 -8.169 403 HD21 ASN 68 HD21 ASN 68 11.415 -11.658 -8.326 404 HD22 ASN 68 HD22 ASN 68 11.712 -12.506 -9.804 405 H VAL 69 HN VAL 69 9.502 -7.560 -8.654 406 HA VAL 69 HA VAL 69 7.785 -8.431 -10.787 407 HB VAL 69 HB VAL 69 7.103 -6.707 -8.349 408 HG11 VAL 69 HG11 VAL 69 4.752 -7.387 -8.729 409 HG12 VAL 69 HG12 VAL 69 5.234 -8.262 -10.184 410 HG13 VAL 69 HG13 VAL 69 5.389 -6.506 -10.118 411 HG21 VAL 69 HG21 VAL 69 6.842 -9.726 -8.691 412 HG22 VAL 69 HG22 VAL 69 6.309 -8.798 -7.288 413 HG23 VAL 69 HG23 VAL 69 8.027 -8.900 -7.673 414 H ALA 70 HN ALA 70 9.021 -5.319 -9.646 415 HA ALA 70 HA ALA 70 7.323 -3.622 -11.183 416 HB1 ALA 70 HB1 ALA 70 8.339 -2.912 -9.047 417 HB2 ALA 70 HB2 ALA 70 8.704 -1.782 -10.354 418 HB3 ALA 70 HB3 ALA 70 9.934 -2.922 -9.808 419 H LYS 71 HN LYS 71 9.863 -5.528 -12.301 420 HA LYS 71 HA LYS 71 10.887 -3.746 -14.326 421 HB2 LYS 71 HB2 LYS 71 12.041 -5.652 -15.236 422 HB3 LYS 71 HB1 LYS 71 12.129 -5.778 -13.482 423 HG2 LYS 71 HG2 LYS 71 10.342 -7.468 -13.492 424 HG3 LYS 71 HG1 LYS 71 10.186 -7.314 -15.243 425 HD2 LYS 71 HD2 LYS 71 12.542 -8.116 -15.488 426 HD3 LYS 71 HD1 LYS 71 12.618 -8.353 -13.738 427 HE2 LYS 71 HE2 LYS 71 10.794 -10.011 -13.880 428 HE3 LYS 71 HE1 LYS 71 10.685 -9.757 -15.624 429 HZ1 LYS 71 HZ1 LYS 71 11.945 -11.716 -15.163 430 HZ2 LYS 71 HZ2 LYS 71 12.996 -10.879 -14.139 431 HZ3 LYS 71 HZ3 LYS 71 12.988 -10.546 -15.796 432 H THR 72 HN THR 72 8.209 -6.011 -14.069 433 HA THR 72 HA THR 72 7.384 -5.503 -16.869 434 HB THR 72 HB THR 72 7.967 -7.872 -16.471 435 HG1 THR 72 HG1 THR 72 6.083 -7.166 -17.807 436 HG21 THR 72 HG21 THR 72 7.461 -8.044 -14.049 437 HG22 THR 72 HG22 THR 72 6.631 -9.296 -14.971 438 HG23 THR 72 HG23 THR 72 5.735 -7.888 -14.404 439 H ALA 73 HN ALA 73 6.585 -5.071 -13.566 440 HA ALA 73 HA ALA 73 3.747 -4.674 -13.917 441 HB1 ALA 73 HB1 ALA 73 3.780 -3.822 -11.617 442 HB2 ALA 73 HB2 ALA 73 5.545 -3.817 -11.615 443 HB3 ALA 73 HB3 ALA 73 4.665 -5.343 -11.719 444 H ASN 74 HN ASN 74 3.507 -3.213 -15.576 445 HA ASN 74 HA ASN 74 4.808 -0.647 -15.594 446 HB2 ASN 74 HB2 ASN 74 3.462 -0.100 -17.518 447 HB3 ASN 74 HB1 ASN 74 3.966 -1.770 -17.698 448 HD21 ASN 74 HD21 ASN 74 1.740 -0.358 -18.957 449 HD22 ASN 74 HD22 ASN 74 0.314 -1.237 -18.544 450 H LYS 75 HN LYS 75 3.668 1.400 -15.405 451 HA LYS 75 HA LYS 75 2.601 1.722 -12.851 452 HB2 LYS 75 HB2 LYS 75 3.817 3.475 -14.167 453 HB3 LYS 75 HB1 LYS 75 2.410 3.653 -15.206 454 HG2 LYS 75 HG2 LYS 75 2.417 5.453 -13.601 455 HG3 LYS 75 HG1 LYS 75 1.071 4.372 -13.231 456 HD2 LYS 75 HD2 LYS 75 2.065 4.900 -11.130 457 HD3 LYS 75 HD1 LYS 75 2.582 3.254 -11.493 458 HE2 LYS 75 HE2 LYS 75 4.463 4.521 -10.597 459 HE3 LYS 75 HE1 LYS 75 4.775 4.170 -12.298 460 HZ1 LYS 75 HZ1 LYS 75 5.344 6.439 -11.804 461 HZ2 LYS 75 HZ2 LYS 75 3.806 6.747 -11.173 462 HZ3 LYS 75 HZ3 LYS 75 3.996 6.423 -12.820 463 H ASP 76 HN ASP 76 0.979 1.506 -15.976 464 HA ASP 76 HA ASP 76 -1.589 2.397 -15.324 465 HB2 ASP 76 HB2 ASP 76 -0.781 2.097 -17.636 466 HB3 ASP 76 HB1 ASP 76 -0.731 0.353 -17.419 467 H HIS 77 HN HIS 77 -0.304 -0.934 -15.344 468 HA HIS 77 HA HIS 77 -2.771 -2.188 -14.614 469 HB2 HIS 77 HB2 HIS 77 -0.795 -3.241 -15.874 470 HB3 HIS 77 HB1 HIS 77 0.003 -3.406 -14.322 471 HD1 HIS 77 HD1 HIS 77 -2.439 -5.017 -16.530 472 HD2 HIS 77 HD2 HIS 77 -1.386 -5.218 -12.519 473 HE1 HIS 77 HE1 HIS 77 -3.433 -7.155 -15.678 474 HE2 HIS 77 HE2 HIS 77 -3.014 -7.087 -13.206 475 H LEU 78 HN LEU 78 -0.063 -0.865 -12.826 476 HA LEU 78 HA LEU 78 -0.647 -2.013 -10.283 477 HB2 LEU 78 HB2 LEU 78 0.839 0.526 -11.022 478 HB3 LEU 78 HB1 LEU 78 0.745 -0.112 -9.381 479 HG LEU 78 HG LEU 78 2.050 -1.487 -11.762 480 HD11 LEU 78 HD11 LEU 78 3.250 -0.237 -9.275 481 HD12 LEU 78 HD12 LEU 78 3.329 0.404 -10.920 482 HD13 LEU 78 HD13 LEU 78 4.136 -1.114 -10.529 483 HD21 LEU 78 HD21 LEU 78 2.797 -3.200 -10.137 484 HD22 LEU 78 HD22 LEU 78 1.044 -3.171 -10.289 485 HD23 LEU 78 HD23 LEU 78 1.817 -2.442 -8.878 486 H VAL 79 HN VAL 79 -1.721 0.912 -11.911 487 HA VAL 79 HA VAL 79 -3.320 1.999 -9.827 488 HB VAL 79 HB VAL 79 -3.511 2.264 -12.867 489 HG11 VAL 79 HG11 VAL 79 -5.741 2.703 -11.947 490 HG12 VAL 79 HG12 VAL 79 -5.013 4.216 -12.486 491 HG13 VAL 79 HG13 VAL 79 -5.065 3.824 -10.766 492 HG21 VAL 79 HG21 VAL 79 -1.454 3.222 -11.879 493 HG22 VAL 79 HG22 VAL 79 -2.422 4.182 -10.758 494 HG23 VAL 79 HG23 VAL 79 -2.505 4.505 -12.490 495 H THR 80 HN THR 80 -4.022 -0.233 -12.515 496 HA THR 80 HA THR 80 -6.745 -0.711 -12.079 497 HB THR 80 HB THR 80 -4.674 -2.662 -13.189 498 HG1 THR 80 HG1 THR 80 -4.772 -1.529 -14.999 499 HG21 THR 80 HG21 THR 80 -7.674 -2.510 -13.711 500 HG22 THR 80 HG22 THR 80 -6.879 -3.744 -12.729 501 HG23 THR 80 HG23 THR 80 -6.547 -3.639 -14.462 502 H ALA 81 HN ALA 81 -3.891 -2.281 -10.667 503 HA ALA 81 HA ALA 81 -5.243 -4.291 -9.181 504 HB1 ALA 81 HB1 ALA 81 -3.073 -4.593 -8.050 505 HB2 ALA 81 HB2 ALA 81 -2.482 -3.089 -8.762 506 HB3 ALA 81 HB3 ALA 81 -2.860 -4.466 -9.799 507 H TYR 82 HN TYR 82 -3.927 -1.114 -8.394 508 HA TYR 82 HA TYR 82 -4.361 -0.917 -5.670 509 HB2 TYR 82 HB2 TYR 82 -3.038 0.771 -6.626 510 HB3 TYR 82 HB1 TYR 82 -4.145 1.047 -7.956 511 HD1 TYR 82 HD2 TYR 82 -3.479 1.846 -4.377 512 HD2 TYR 82 HD1 TYR 82 -5.901 2.703 -7.798 513 HE1 TYR 82 HE2 TYR 82 -4.338 3.878 -3.277 514 HE2 TYR 82 HE1 TYR 82 -6.737 4.732 -6.712 515 HH TYR 82 HH TYR 82 -5.329 6.053 -3.950 516 H ASN 83 HN ASN 83 -6.579 0.150 -8.282 517 HA ASN 83 HA ASN 83 -8.659 1.001 -6.550 518 HB2 ASN 83 HB2 ASN 83 -8.652 0.331 -9.516 519 HB3 ASN 83 HB1 ASN 83 -10.098 0.888 -8.686 520 HD21 ASN 83 HD21 ASN 83 -7.115 1.830 -10.104 521 HD22 ASN 83 HD22 ASN 83 -7.250 3.524 -9.811 522 H HIS 84 HN HIS 84 -8.024 -2.083 -8.171 523 HA HIS 84 HA HIS 84 -10.474 -3.388 -7.524 524 HB2 HIS 84 HB2 HIS 84 -7.760 -4.381 -8.431 525 HB3 HIS 84 HB1 HIS 84 -9.013 -5.528 -7.981 526 HD1 HIS 84 HD1 HIS 84 -7.767 -5.122 -10.873 527 HD2 HIS 84 HD2 HIS 84 -11.450 -3.736 -9.543 528 HE1 HIS 84 HE1 HIS 84 -9.183 -4.878 -12.936 529 HE2 HIS 84 HE2 HIS 84 -11.421 -4.080 -12.099 530 H LEU 85 HN LEU 85 -7.525 -2.847 -5.684 531 HA LEU 85 HA LEU 85 -7.736 -4.836 -3.719 532 HB2 LEU 85 HB2 LEU 85 -5.807 -3.245 -3.985 533 HB3 LEU 85 HB1 LEU 85 -6.797 -1.960 -3.357 534 HG LEU 85 HG LEU 85 -6.932 -3.075 -1.167 535 HD11 LEU 85 HD11 LEU 85 -5.580 -5.063 -0.640 536 HD12 LEU 85 HD12 LEU 85 -5.147 -5.221 -2.344 537 HD13 LEU 85 HD13 LEU 85 -6.827 -5.409 -1.837 538 HD21 LEU 85 HD21 LEU 85 -4.595 -2.782 -0.446 539 HD22 LEU 85 HD22 LEU 85 -5.108 -1.483 -1.521 540 HD23 LEU 85 HD23 LEU 85 -4.069 -2.774 -2.132 541 H PHE 86 HN PHE 86 -8.980 -1.538 -3.748 542 HA PHE 86 HA PHE 86 -10.477 -1.737 -1.304 543 HB2 PHE 86 HB2 PHE 86 -10.744 0.399 -3.450 544 HB3 PHE 86 HB1 PHE 86 -11.127 0.542 -1.731 545 HD1 PHE 86 HD2 PHE 86 -9.104 0.244 -0.056 546 HD2 PHE 86 HD1 PHE 86 -8.637 1.017 -4.220 547 HE1 PHE 86 HE2 PHE 86 -6.820 1.083 0.342 548 HE2 PHE 86 HE1 PHE 86 -6.380 1.828 -3.807 549 HZ PHE 86 HZ PHE 86 -5.462 1.867 -1.537 550 H GLU 87 HN GLU 87 -11.191 -2.173 -4.722 551 HA GLU 87 HA GLU 87 -13.905 -1.609 -4.844 552 HB2 GLU 87 HB2 GLU 87 -12.473 -1.947 -6.841 553 HB3 GLU 87 HB1 GLU 87 -12.360 -3.666 -6.479 554 HG2 GLU 87 HG2 GLU 87 -14.828 -3.871 -6.816 555 HG3 GLU 87 HG1 GLU 87 -14.886 -2.163 -7.246 556 H THR 88 HN THR 88 -12.350 -4.725 -4.195 557 HA THR 88 HA THR 88 -14.924 -5.861 -3.243 558 HB THR 88 HB THR 88 -13.676 -8.105 -3.613 559 HG1 THR 88 HG1 THR 88 -12.048 -6.512 -5.312 560 HG21 THR 88 HG21 THR 88 -14.263 -6.387 -6.057 561 HG22 THR 88 HG22 THR 88 -15.457 -7.323 -5.155 562 HG23 THR 88 HG23 THR 88 -14.171 -8.154 -6.029 563 H LYS 89 HN LYS 89 -12.281 -4.389 -2.054 564 HA LYS 89 HA LYS 89 -11.110 -4.306 -0.139 565 HB2 LYS 89 HB2 LYS 89 -13.619 -5.566 1.048 566 HB3 LYS 89 HB1 LYS 89 -12.380 -4.694 1.954 567 HG2 LYS 89 HG2 LYS 89 -12.921 -2.643 0.580 568 HG3 LYS 89 HG1 LYS 89 -14.251 -3.543 -0.150 569 HD2 LYS 89 HD2 LYS 89 -15.186 -2.182 1.596 570 HD3 LYS 89 HD1 LYS 89 -15.218 -3.853 2.165 571 HE2 LYS 89 HE2 LYS 89 -13.161 -3.414 3.500 572 HE3 LYS 89 HE1 LYS 89 -13.168 -1.739 2.947 573 HZ1 LYS 89 HZ1 LYS 89 -15.289 -3.046 4.556 574 HZ2 LYS 89 HZ2 LYS 89 -15.308 -1.441 4.025 575 HZ3 LYS 89 HZ3 LYS 89 -14.135 -1.950 5.131 576 H ARG 90 HN ARG 90 -9.782 -5.920 -1.249 577 HA ARG 90 HA ARG 90 -9.949 -8.719 -0.604 578 HB2 ARG 90 HB2 ARG 90 -7.894 -7.083 -2.147 579 HB3 ARG 90 HB1 ARG 90 -7.883 -8.847 -2.041 580 HG2 ARG 90 HG2 ARG 90 -10.028 -8.987 -3.174 581 HG3 ARG 90 HG1 ARG 90 -10.195 -7.229 -3.162 582 HD2 ARG 90 HD2 ARG 90 -8.331 -6.990 -4.685 583 HD3 ARG 90 HD1 ARG 90 -7.993 -8.726 -4.611 584 HE ARG 90 HE ARG 90 -10.616 -8.462 -5.453 585 HH11 ARG 90 HH11 ARG 90 -7.544 -7.354 -6.713 586 HH12 ARG 90 HH12 ARG 90 -7.968 -7.673 -8.360 587 HH21 ARG 90 HH21 ARG 90 -11.162 -8.867 -7.590 588 HH22 ARG 90 HH22 ARG 90 -10.041 -8.490 -8.854 589 H PHE 91 HN PHE 91 -8.002 -6.004 0.430 590 HA PHE 91 HA PHE 91 -5.870 -7.193 1.726 591 HB2 PHE 91 HB2 PHE 91 -6.056 -5.074 3.279 592 HB3 PHE 91 HB1 PHE 91 -5.729 -4.878 1.567 593 HD1 PHE 91 HD2 PHE 91 -8.944 -5.318 3.531 594 HD2 PHE 91 HD1 PHE 91 -6.679 -2.921 0.813 595 HE1 PHE 91 HE2 PHE 91 -10.835 -3.773 3.316 596 HE2 PHE 91 HE1 PHE 91 -8.585 -1.380 0.609 597 HZ PHE 91 HZ PHE 91 -10.658 -1.797 1.854 598 H LYS 92 HN LYS 92 -5.404 -7.448 4.029 599 HA LYS 92 HA LYS 92 -5.637 -8.306 6.087 600 HB2 LYS 92 HB2 LYS 92 -8.505 -7.333 5.860 601 HB3 LYS 92 HB1 LYS 92 -7.810 -7.969 7.344 602 HG2 LYS 92 HG2 LYS 92 -6.749 -5.507 5.906 603 HG3 LYS 92 HG1 LYS 92 -7.968 -5.455 7.176 604 HD2 LYS 92 HD2 LYS 92 -5.991 -4.985 8.344 605 HD3 LYS 92 HD1 LYS 92 -6.209 -6.706 8.642 606 HE2 LYS 92 HE2 LYS 92 -4.560 -7.167 6.793 607 HE3 LYS 92 HE1 LYS 92 -4.298 -5.432 6.644 608 HZ1 LYS 92 HZ1 LYS 92 -2.612 -6.521 7.985 609 HZ2 LYS 92 HZ2 LYS 92 -3.793 -7.047 9.074 610 HZ3 LYS 92 HZ3 LYS 92 -3.483 -5.396 8.896 Start of MODEL 8 1 H MET 20 H MET 20 -10.028 -5.949 19.649 2 HA MET 20 HA MET 20 -8.642 -4.565 18.257 3 HB2 MET 20 HB2 MET 20 -9.163 -5.706 16.089 4 HB3 MET 20 HB1 MET 20 -9.153 -6.806 17.458 5 HG2 MET 20 HG2 MET 20 -11.638 -5.693 16.124 6 HG3 MET 20 HG1 MET 20 -10.968 -7.298 15.859 7 HE1 MET 20 HE1 MET 20 -11.598 -8.989 19.368 8 HE2 MET 20 HE2 MET 20 -10.128 -8.174 18.831 9 HE3 MET 20 HE3 MET 20 -10.997 -9.244 17.732 10 H ALA 21 HN ALA 21 -8.479 -2.602 17.388 11 HA ALA 21 HA ALA 21 -10.895 -1.067 16.671 12 HB1 ALA 21 HB1 ALA 21 -9.447 0.929 16.892 13 HB2 ALA 21 HB2 ALA 21 -8.058 -0.110 17.225 14 HB3 ALA 21 HB3 ALA 21 -9.408 -0.053 18.358 15 H ALA 22 HN ALA 22 -11.269 -0.430 14.599 16 HA ALA 22 HA ALA 22 -9.768 -1.492 12.420 17 HB1 ALA 22 HB1 ALA 22 -11.368 -0.291 10.979 18 HB2 ALA 22 HB2 ALA 22 -11.977 0.600 12.380 19 HB3 ALA 22 HB3 ALA 22 -12.198 -1.148 12.280 20 H ALA 23 HN ALA 23 -7.699 -0.737 12.562 21 HA ALA 23 HA ALA 23 -7.197 2.077 11.806 22 HB1 ALA 23 HB1 ALA 23 -6.569 1.718 14.178 23 HB2 ALA 23 HB2 ALA 23 -5.145 2.020 13.182 24 HB3 ALA 23 HB3 ALA 23 -5.520 0.375 13.709 25 H VAL 24 HN VAL 24 -7.677 -0.076 10.094 26 HA VAL 24 HA VAL 24 -5.266 -1.404 9.258 27 HB VAL 24 HB VAL 24 -6.581 -2.377 7.445 28 HG11 VAL 24 HG11 VAL 24 -6.834 -3.392 9.669 29 HG12 VAL 24 HG12 VAL 24 -8.336 -3.531 8.758 30 HG13 VAL 24 HG13 VAL 24 -8.194 -2.317 10.030 31 HG21 VAL 24 HG21 VAL 24 -7.870 -0.421 6.709 32 HG22 VAL 24 HG22 VAL 24 -8.826 -0.448 8.192 33 HG23 VAL 24 HG23 VAL 24 -8.960 -1.768 7.025 34 HA PRO 25 HA PRO 25 -3.729 1.718 6.383 35 HB2 PRO 25 HB2 PRO 25 -2.474 0.102 4.517 36 HB3 PRO 25 HB1 PRO 25 -1.781 0.513 6.088 37 HG2 PRO 25 HG2 PRO 25 -3.259 -1.970 5.257 38 HG3 PRO 25 HG1 PRO 25 -1.791 -1.824 6.249 39 HD2 PRO 25 HD2 PRO 25 -4.232 -2.240 7.356 40 HD3 PRO 25 HD1 PRO 25 -2.999 -1.253 8.175 41 H GLN 26 HN GLN 26 -5.348 2.663 5.396 42 HA GLN 26 HA GLN 26 -6.946 1.453 3.252 43 HB2 GLN 26 HB2 GLN 26 -7.040 4.309 4.338 44 HB3 GLN 26 HB1 GLN 26 -8.277 3.500 3.377 45 HG2 GLN 26 HG2 GLN 26 -8.844 2.040 5.221 46 HG3 GLN 26 HG1 GLN 26 -7.478 2.621 6.173 47 HE21 GLN 26 HE21 GLN 26 -10.205 2.592 6.987 48 HE22 GLN 26 HE22 GLN 26 -10.683 4.225 7.277 49 H ARG 27 HN ARG 27 -7.165 2.943 1.210 50 HA ARG 27 HA ARG 27 -4.629 3.170 0.000 51 HB2 ARG 27 HB2 ARG 27 -5.709 4.034 -1.954 52 HB3 ARG 27 HB1 ARG 27 -6.729 2.795 -1.275 53 HG2 ARG 27 HG2 ARG 27 -7.244 5.726 -0.796 54 HG3 ARG 27 HG1 ARG 27 -7.840 4.890 -2.229 55 HD2 ARG 27 HD2 ARG 27 -9.093 3.339 -0.828 56 HD3 ARG 27 HD1 ARG 27 -8.437 4.079 0.634 57 HE ARG 27 HE ARG 27 -9.781 6.035 -0.905 58 HH11 ARG 27 HH11 ARG 27 -10.509 3.240 1.103 59 HH12 ARG 27 HH12 ARG 27 -12.068 3.842 1.564 60 HH21 ARG 27 HH21 ARG 27 -11.803 6.823 -0.229 61 HH22 ARG 27 HH22 ARG 27 -12.794 5.861 0.816 62 H ALA 28 HN ALA 28 -3.329 4.878 -0.519 63 HA ALA 28 HA ALA 28 -3.561 7.240 1.248 64 HB1 ALA 28 HB1 ALA 28 -1.117 7.399 1.015 65 HB2 ALA 28 HB2 ALA 28 -1.123 6.040 -0.111 66 HB3 ALA 28 HB3 ALA 28 -1.584 5.792 1.576 67 H TRP 29 HN TRP 29 -2.934 6.255 -2.072 68 HA TRP 29 HA TRP 29 -2.502 9.016 -2.989 69 HB2 TRP 29 HB2 TRP 29 -1.886 6.403 -4.440 70 HB3 TRP 29 HB1 TRP 29 -1.331 8.015 -4.893 71 HD1 TRP 29 HD1 TRP 29 0.118 9.203 -2.565 72 HE1 TRP 29 HE1 TRP 29 2.071 8.061 -1.335 73 HE3 TRP 29 HE3 TRP 29 -0.711 4.347 -3.977 74 HZ2 TRP 29 HZ2 TRP 29 3.140 5.492 -1.024 75 HZ3 TRP 29 HZ3 TRP 29 0.838 2.608 -3.178 76 HH2 TRP 29 HH2 TRP 29 2.729 3.171 -1.729 77 H THR 30 HN THR 30 -3.548 9.819 -4.812 78 HA THR 30 HA THR 30 -6.073 8.565 -5.638 79 HB THR 30 HB THR 30 -6.397 10.710 -6.915 80 HG1 THR 30 HG1 THR 30 -4.833 12.404 -6.421 81 HG21 THR 30 HG21 THR 30 -7.254 10.579 -4.598 82 HG22 THR 30 HG22 THR 30 -6.684 12.208 -4.967 83 HG23 THR 30 HG23 THR 30 -5.693 11.130 -3.982 84 H VAL 31 HN VAL 31 -6.472 8.870 -8.146 85 HA VAL 31 HA VAL 31 -4.900 7.006 -9.500 86 HB VAL 31 HB VAL 31 -7.247 7.512 -10.113 87 HG11 VAL 31 HG11 VAL 31 -7.848 9.456 -11.505 88 HG12 VAL 31 HG12 VAL 31 -6.209 10.089 -11.354 89 HG13 VAL 31 HG13 VAL 31 -7.237 9.957 -9.926 90 HG21 VAL 31 HG21 VAL 31 -5.882 6.275 -11.751 91 HG22 VAL 31 HG22 VAL 31 -5.347 7.788 -12.485 92 HG23 VAL 31 HG23 VAL 31 -7.043 7.315 -12.583 93 H GLU 32 HN GLU 32 -4.691 10.527 -9.510 94 HA GLU 32 HA GLU 32 -2.784 10.763 -11.625 95 HB2 GLU 32 HB2 GLU 32 -2.608 13.140 -10.933 96 HB3 GLU 32 HB1 GLU 32 -4.270 12.615 -11.191 97 HG2 GLU 32 HG2 GLU 32 -4.657 12.479 -8.798 98 HG3 GLU 32 HG1 GLU 32 -2.962 12.827 -8.455 99 H GLN 33 HN GLN 33 -2.540 10.603 -8.089 100 HA GLN 33 HA GLN 33 0.250 11.137 -7.897 101 HB2 GLN 33 HB2 GLN 33 -1.857 10.081 -6.043 102 HB3 GLN 33 HB1 GLN 33 -0.209 9.653 -5.628 103 HG2 GLN 33 HG2 GLN 33 -0.992 11.685 -4.459 104 HG3 GLN 33 HG1 GLN 33 0.438 11.974 -5.450 105 HE21 GLN 33 HE21 GLN 33 -2.934 12.675 -5.020 106 HE22 GLN 33 HE22 GLN 33 -3.034 13.941 -6.192 107 H LEU 34 HN LEU 34 -1.594 8.201 -8.513 108 HA LEU 34 HA LEU 34 0.490 6.287 -8.242 109 HB2 LEU 34 HB2 LEU 34 -1.981 6.245 -10.000 110 HB3 LEU 34 HB1 LEU 34 -0.966 4.844 -9.679 111 HG LEU 34 HG LEU 34 -2.523 6.359 -7.549 112 HD11 LEU 34 HD11 LEU 34 -4.016 5.274 -9.199 113 HD12 LEU 34 HD12 LEU 34 -4.135 4.562 -7.595 114 HD13 LEU 34 HD13 LEU 34 -3.242 3.721 -8.863 115 HD21 LEU 34 HD21 LEU 34 -0.535 5.218 -6.651 116 HD22 LEU 34 HD22 LEU 34 -1.049 3.698 -7.385 117 HD23 LEU 34 HD23 LEU 34 -2.013 4.429 -6.100 118 H ARG 35 HN ARG 35 -0.819 8.010 -11.063 119 HA ARG 35 HA ARG 35 0.980 6.813 -12.950 120 HB2 ARG 35 HB2 ARG 35 -0.117 8.181 -14.639 121 HB3 ARG 35 HB1 ARG 35 -1.312 7.439 -13.585 122 HG2 ARG 35 HG2 ARG 35 -1.360 9.680 -12.334 123 HG3 ARG 35 HG1 ARG 35 -0.471 10.340 -13.709 124 HD2 ARG 35 HD2 ARG 35 -3.197 8.985 -13.837 125 HD3 ARG 35 HD1 ARG 35 -2.918 10.726 -13.881 126 HE ARG 35 HE ARG 35 -1.458 9.488 -15.952 127 HH11 ARG 35 HH11 ARG 35 -4.782 10.259 -15.113 128 HH12 ARG 35 HH12 ARG 35 -5.299 10.343 -16.763 129 HH21 ARG 35 HH21 ARG 35 -2.138 9.651 -18.112 130 HH22 ARG 35 HH22 ARG 35 -3.799 10.003 -18.468 131 H SER 36 HN SER 36 1.313 9.413 -10.799 132 HA SER 36 HA SER 36 3.155 11.098 -12.147 133 HB2 SER 36 HB2 SER 36 2.044 11.762 -10.048 134 HB3 SER 36 HB1 SER 36 2.868 10.477 -9.173 135 HG SER 36 HG SER 36 3.866 12.904 -10.147 136 H GLU 37 HN GLU 37 5.412 11.053 -12.290 137 HA GLU 37 HA GLU 37 6.810 8.547 -12.085 138 HB2 GLU 37 HB2 GLU 37 8.743 9.742 -12.935 139 HB3 GLU 37 HB1 GLU 37 7.330 10.296 -13.823 140 HG2 GLU 37 HG2 GLU 37 7.268 12.336 -12.398 141 HG3 GLU 37 HG1 GLU 37 8.717 11.790 -11.567 142 H GLN 38 HN GLN 38 6.355 11.317 -10.060 143 HA GLN 38 HA GLN 38 8.617 11.238 -8.369 144 HB2 GLN 38 HB2 GLN 38 5.801 12.305 -7.827 145 HB3 GLN 38 HB1 GLN 38 7.238 12.701 -6.880 146 HG2 GLN 38 HG2 GLN 38 8.236 13.842 -8.781 147 HG3 GLN 38 HG1 GLN 38 6.913 13.326 -9.828 148 HE21 GLN 38 HE21 GLN 38 7.872 16.050 -9.146 149 HE22 GLN 38 HE22 GLN 38 6.486 16.882 -8.536 150 H LEU 39 HN LEU 39 5.523 9.584 -8.297 151 HA LEU 39 HA LEU 39 6.227 8.095 -5.868 152 HB2 LEU 39 HB2 LEU 39 3.883 8.823 -6.147 153 HB3 LEU 39 HB1 LEU 39 3.780 7.962 -7.675 154 HG LEU 39 HG LEU 39 4.006 5.803 -6.497 155 HD11 LEU 39 HD11 LEU 39 4.060 7.387 -3.920 156 HD12 LEU 39 HD12 LEU 39 5.405 6.471 -4.604 157 HD13 LEU 39 HD13 LEU 39 3.956 5.629 -4.060 158 HD21 LEU 39 HD21 LEU 39 1.813 5.778 -5.392 159 HD22 LEU 39 HD22 LEU 39 1.764 6.704 -6.891 160 HD23 LEU 39 HD23 LEU 39 1.811 7.545 -5.340 161 HA PRO 40 HA PRO 40 8.324 5.281 -8.805 162 HB2 PRO 40 HB2 PRO 40 9.546 3.681 -6.926 163 HB3 PRO 40 HB1 PRO 40 10.170 5.263 -7.410 164 HG2 PRO 40 HG2 PRO 40 8.556 4.520 -4.991 165 HG3 PRO 40 HG1 PRO 40 9.935 5.629 -5.120 166 HD2 PRO 40 HD2 PRO 40 7.340 6.488 -4.999 167 HD3 PRO 40 HD1 PRO 40 8.612 7.386 -5.853 168 H LYS 41 HN LYS 41 8.024 3.192 -9.540 169 HA LYS 41 HA LYS 41 5.500 2.008 -9.280 170 HB2 LYS 41 HB2 LYS 41 8.073 0.697 -10.276 171 HB3 LYS 41 HB1 LYS 41 6.438 0.123 -10.600 172 HG2 LYS 41 HG2 LYS 41 5.985 2.229 -11.867 173 HG3 LYS 41 HG1 LYS 41 7.667 2.715 -11.604 174 HD2 LYS 41 HD2 LYS 41 6.721 0.235 -13.113 175 HD3 LYS 41 HD1 LYS 41 7.364 1.712 -13.840 176 HE2 LYS 41 HE2 LYS 41 9.547 1.305 -12.739 177 HE3 LYS 41 HE1 LYS 41 8.901 -0.166 -12.001 178 HZ1 LYS 41 HZ1 LYS 41 8.600 -1.108 -14.177 179 HZ2 LYS 41 HZ2 LYS 41 10.205 -0.614 -13.983 180 HZ3 LYS 41 HZ3 LYS 41 9.145 0.313 -14.915 181 H LYS 42 HN LYS 42 8.598 1.194 -7.844 182 HA LYS 42 HA LYS 42 7.940 -1.295 -6.717 183 HB2 LYS 42 HB2 LYS 42 10.035 -1.000 -5.404 184 HB3 LYS 42 HB1 LYS 42 10.246 -0.681 -7.122 185 HG2 LYS 42 HG2 LYS 42 10.143 1.772 -6.655 186 HG3 LYS 42 HG1 LYS 42 10.011 1.414 -4.930 187 HD2 LYS 42 HD2 LYS 42 12.323 2.002 -5.505 188 HD3 LYS 42 HD1 LYS 42 12.235 0.321 -4.987 189 HE2 LYS 42 HE2 LYS 42 12.309 -0.420 -7.342 190 HE3 LYS 42 HE1 LYS 42 12.353 1.261 -7.877 191 HZ1 LYS 42 HZ1 LYS 42 14.473 1.516 -6.731 192 HZ2 LYS 42 HZ2 LYS 42 14.537 0.288 -7.891 193 HZ3 LYS 42 HZ3 LYS 42 14.425 -0.107 -6.251 194 H ASP 43 HN ASP 43 7.542 1.996 -5.505 195 HA ASP 43 HA ASP 43 7.128 1.225 -2.758 196 HB2 ASP 43 HB2 ASP 43 7.959 3.524 -3.527 197 HB3 ASP 43 HB1 ASP 43 6.300 3.887 -3.993 198 H ILE 44 HN ILE 44 5.057 1.732 -5.561 199 HA ILE 44 HA ILE 44 2.550 1.708 -4.184 200 HB ILE 44 HB ILE 44 3.073 0.962 -7.108 201 HG12 ILE 44 HG12 ILE 44 2.381 3.669 -5.858 202 HG13 ILE 44 HG11 ILE 44 3.916 3.236 -6.599 203 HG21 ILE 44 HG21 ILE 44 0.857 0.200 -6.320 204 HG22 ILE 44 HG22 ILE 44 0.686 1.514 -7.481 205 HG23 ILE 44 HG23 ILE 44 0.478 1.830 -5.756 206 HD11 ILE 44 HD11 ILE 44 1.270 3.497 -8.025 207 HD12 ILE 44 HD12 ILE 44 2.801 3.050 -8.773 208 HD13 ILE 44 HD13 ILE 44 2.603 4.648 -8.062 209 H ILE 45 HN ILE 45 4.326 -0.802 -6.031 210 HA ILE 45 HA ILE 45 2.685 -3.034 -5.578 211 HB ILE 45 HB ILE 45 5.736 -2.962 -5.781 212 HG12 ILE 45 HG12 ILE 45 3.746 -3.451 -8.038 213 HG13 ILE 45 HG11 ILE 45 4.459 -1.876 -7.698 214 HG21 ILE 45 HG21 ILE 45 5.617 -5.304 -6.551 215 HG22 ILE 45 HG22 ILE 45 3.873 -5.318 -6.279 216 HG23 ILE 45 HG23 ILE 45 4.978 -5.139 -4.913 217 HD11 ILE 45 HD11 ILE 45 5.978 -4.362 -8.478 218 HD12 ILE 45 HD12 ILE 45 6.680 -2.774 -8.159 219 HD13 ILE 45 HD13 ILE 45 5.590 -2.999 -9.526 220 H LYS 46 HN LYS 46 5.337 -1.702 -3.680 221 HA LYS 46 HA LYS 46 5.644 -3.540 -1.626 222 HB2 LYS 46 HB2 LYS 46 7.120 -1.592 -2.131 223 HB3 LYS 46 HB1 LYS 46 5.880 -0.513 -1.510 224 HG2 LYS 46 HG2 LYS 46 6.148 -1.648 0.741 225 HG3 LYS 46 HG1 LYS 46 7.537 -2.508 0.065 226 HD2 LYS 46 HD2 LYS 46 7.228 0.500 0.413 227 HD3 LYS 46 HD1 LYS 46 8.340 -0.569 1.271 228 HE2 LYS 46 HE2 LYS 46 9.621 -0.945 -0.754 229 HE3 LYS 46 HE1 LYS 46 8.446 -0.060 -1.724 230 HZ1 LYS 46 HZ1 LYS 46 10.080 1.117 0.442 231 HZ2 LYS 46 HZ2 LYS 46 9.009 1.953 -0.570 232 HZ3 LYS 46 HZ3 LYS 46 10.411 1.245 -1.209 233 H PHE 47 HN PHE 47 3.566 -0.665 -1.769 234 HA PHE 47 HA PHE 47 2.327 -0.878 0.753 235 HB2 PHE 47 HB2 PHE 47 2.245 1.201 -0.562 236 HB3 PHE 47 HB1 PHE 47 1.332 0.400 -1.833 237 HD1 PHE 47 HD2 PHE 47 0.814 0.274 1.866 238 HD2 PHE 47 HD1 PHE 47 -0.738 1.581 -1.885 239 HE1 PHE 47 HE2 PHE 47 -1.262 0.981 2.976 240 HE2 PHE 47 HE1 PHE 47 -2.817 2.281 -0.770 241 HZ PHE 47 HZ PHE 47 -3.076 1.987 1.656 242 H LEU 48 HN LEU 48 1.381 -2.109 -2.437 243 HA LEU 48 HA LEU 48 -1.192 -3.072 -1.671 244 HB2 LEU 48 HB2 LEU 48 0.524 -3.748 -4.087 245 HB3 LEU 48 HB1 LEU 48 -1.183 -4.155 -3.916 246 HG LEU 48 HG LEU 48 -0.050 -1.329 -4.001 247 HD11 LEU 48 HD11 LEU 48 0.124 -2.428 -6.182 248 HD12 LEU 48 HD12 LEU 48 -1.098 -1.161 -6.222 249 HD13 LEU 48 HD13 LEU 48 -1.590 -2.857 -6.134 250 HD21 LEU 48 HD21 LEU 48 -2.035 -1.396 -2.610 251 HD22 LEU 48 HD22 LEU 48 -2.936 -2.273 -3.854 252 HD23 LEU 48 HD23 LEU 48 -2.413 -0.617 -4.142 253 H GLN 49 HN GLN 49 1.999 -4.560 -1.774 254 HA GLN 49 HA GLN 49 0.975 -7.234 -1.286 255 HB2 GLN 49 HB2 GLN 49 3.239 -8.013 -1.373 256 HB3 GLN 49 HB1 GLN 49 3.058 -6.824 -2.660 257 HG2 GLN 49 HG2 GLN 49 4.201 -5.149 -1.257 258 HG3 GLN 49 HG1 GLN 49 4.385 -6.344 0.026 259 HE21 GLN 49 HE21 GLN 49 4.832 -6.856 -3.471 260 HE22 GLN 49 HE22 GLN 49 6.513 -7.229 -3.378 261 H GLU 50 HN GLU 50 2.051 -4.527 0.564 262 HA GLU 50 HA GLU 50 2.891 -5.748 2.959 263 HB2 GLU 50 HB2 GLU 50 3.339 -3.379 2.287 264 HB3 GLU 50 HB1 GLU 50 1.653 -2.989 2.584 265 HG2 GLU 50 HG2 GLU 50 3.008 -2.239 4.430 266 HG3 GLU 50 HG1 GLU 50 1.948 -3.535 4.973 267 H HIS 51 HN HIS 51 -0.324 -5.056 1.755 268 HA HIS 51 HA HIS 51 -1.468 -6.370 4.147 269 HB2 HIS 51 HB2 HIS 51 -3.350 -4.798 4.238 270 HB3 HIS 51 HB1 HIS 51 -1.818 -3.992 4.526 271 HD1 HIS 51 HD1 HIS 51 -4.291 -2.400 3.763 272 HD2 HIS 51 HD2 HIS 51 -1.494 -3.740 1.005 273 HE1 HIS 51 HE1 HIS 51 -4.434 -0.812 1.836 274 HE2 HIS 51 HE2 HIS 51 -2.570 -1.501 0.298 275 H GLY 52 HN GLY 52 -1.759 -5.818 0.665 276 HA2 GLY 52 HA2 GLY 52 -4.153 -7.132 0.113 277 HA3 GLY 52 HA1 GLY 52 -2.753 -7.113 -0.950 278 H SER 53 HN SER 53 -4.832 -9.202 0.152 279 HA SER 53 HA SER 53 -3.395 -11.192 1.557 280 HB2 SER 53 HB2 SER 53 -5.848 -11.138 1.581 281 HB3 SER 53 HB1 SER 53 -5.912 -11.454 -0.151 282 HG SER 53 HG SER 53 -5.343 -13.164 1.976 283 H ASP 54 HN ASP 54 -2.887 -13.373 0.765 284 HA ASP 54 HA ASP 54 -0.950 -13.423 -1.253 285 HB2 ASP 54 HB2 ASP 54 -2.529 -15.794 -0.168 286 HB3 ASP 54 HB1 ASP 54 -0.962 -15.876 -0.978 287 H SER 55 HN SER 55 -4.334 -14.298 -1.271 288 HA SER 55 HA SER 55 -4.543 -15.544 -3.802 289 HB2 SER 55 HB2 SER 55 -6.193 -15.811 -1.942 290 HB3 SER 55 HB1 SER 55 -6.696 -14.135 -2.159 291 HG SER 55 HG SER 55 -7.987 -15.849 -3.212 292 H PHE 56 HN PHE 56 -4.893 -12.176 -2.731 293 HA PHE 56 HA PHE 56 -5.728 -11.078 -5.239 294 HB2 PHE 56 HB2 PHE 56 -6.163 -9.836 -3.170 295 HB3 PHE 56 HB1 PHE 56 -4.446 -9.766 -2.793 296 HD1 PHE 56 HD1 PHE 56 -7.043 -8.529 -5.161 297 HD2 PHE 56 HD2 PHE 56 -3.078 -7.985 -3.678 298 HE1 PHE 56 HE1 PHE 56 -6.883 -6.391 -6.355 299 HE2 PHE 56 HE2 PHE 56 -2.921 -5.850 -4.882 300 HZ PHE 56 HZ PHE 56 -4.819 -5.056 -6.218 301 H LEU 57 HN LEU 57 -2.610 -11.298 -3.558 302 HA LEU 57 HA LEU 57 -1.082 -9.781 -5.384 303 HB2 LEU 57 HB2 LEU 57 -0.108 -11.898 -3.433 304 HB3 LEU 57 HB1 LEU 57 0.902 -10.699 -4.232 305 HG LEU 57 HG LEU 57 -1.220 -10.182 -2.123 306 HD11 LEU 57 HD11 LEU 57 0.867 -11.070 -1.236 307 HD12 LEU 57 HD12 LEU 57 0.640 -9.394 -0.751 308 HD13 LEU 57 HD13 LEU 57 1.781 -9.790 -2.040 309 HD21 LEU 57 HD21 LEU 57 -0.668 -7.806 -2.256 310 HD22 LEU 57 HD22 LEU 57 -1.313 -8.378 -3.790 311 HD23 LEU 57 HD23 LEU 57 0.421 -8.103 -3.611 312 H ALA 58 HN ALA 58 -1.851 -13.220 -5.232 313 HA ALA 58 HA ALA 58 -0.025 -14.247 -7.103 314 HB1 ALA 58 HB1 ALA 58 -2.851 -15.214 -6.519 315 HB2 ALA 58 HB2 ALA 58 -1.408 -15.658 -5.604 316 HB3 ALA 58 HB3 ALA 58 -1.570 -16.151 -7.292 317 H GLU 59 HN GLU 59 -3.366 -13.083 -7.578 318 HA GLU 59 HA GLU 59 -3.675 -13.474 -10.341 319 HB2 GLU 59 HB2 GLU 59 -4.814 -11.180 -8.682 320 HB3 GLU 59 HB1 GLU 59 -5.456 -11.756 -10.221 321 HG2 GLU 59 HG2 GLU 59 -6.197 -13.812 -9.219 322 HG3 GLU 59 HG1 GLU 59 -5.354 -13.446 -7.708 323 H HIS 60 HN HIS 60 -2.432 -10.685 -8.532 324 HA HIS 60 HA HIS 60 -2.012 -9.113 -10.983 325 HB2 HIS 60 HB2 HIS 60 -1.953 -8.281 -8.043 326 HB3 HIS 60 HB1 HIS 60 -1.788 -7.184 -9.415 327 HD1 HIS 60 HD1 HIS 60 -4.326 -9.501 -7.830 328 HD2 HIS 60 HD2 HIS 60 -4.176 -6.304 -10.462 329 HE1 HIS 60 HE1 HIS 60 -6.708 -8.921 -8.287 330 HE2 HIS 60 HE2 HIS 60 -6.589 -7.136 -10.053 331 H LYS 61 HN LYS 61 -0.238 -11.253 -9.244 332 HA LYS 61 HA LYS 61 1.942 -11.811 -9.038 333 HB2 LYS 61 HB2 LYS 61 2.199 -9.956 -11.440 334 HB3 LYS 61 HB1 LYS 61 3.500 -10.999 -10.871 335 HG2 LYS 61 HG2 LYS 61 2.018 -12.983 -11.245 336 HG3 LYS 61 HG1 LYS 61 0.805 -11.903 -11.940 337 HD2 LYS 61 HD2 LYS 61 3.639 -12.265 -13.010 338 HD3 LYS 61 HD1 LYS 61 2.203 -13.058 -13.663 339 HE2 LYS 61 HE2 LYS 61 2.603 -10.045 -13.556 340 HE3 LYS 61 HE1 LYS 61 2.903 -11.054 -14.969 341 HZ1 LYS 61 HZ1 LYS 61 0.751 -10.067 -15.126 342 HZ2 LYS 61 HZ2 LYS 61 0.295 -10.669 -13.620 343 HZ3 LYS 61 HZ3 LYS 61 0.562 -11.731 -14.908 344 H LEU 62 HN LEU 62 1.025 -9.561 -7.422 345 HA LEU 62 HA LEU 62 3.167 -7.603 -7.297 346 HB2 LEU 62 HB2 LEU 62 0.734 -7.987 -5.517 347 HB3 LEU 62 HB1 LEU 62 1.848 -6.625 -5.419 348 HG LEU 62 HG LEU 62 0.108 -7.282 -7.829 349 HD11 LEU 62 HD11 LEU 62 -1.258 -5.371 -7.180 350 HD12 LEU 62 HD12 LEU 62 -0.284 -5.146 -5.726 351 HD13 LEU 62 HD13 LEU 62 -1.248 -6.611 -5.927 352 HD21 LEU 62 HD21 LEU 62 1.853 -4.839 -7.304 353 HD22 LEU 62 HD22 LEU 62 0.750 -5.047 -8.669 354 HD23 LEU 62 HD23 LEU 62 2.152 -6.099 -8.504 355 H LEU 63 HN LEU 63 2.638 -10.689 -5.958 356 HA LEU 63 HA LEU 63 4.212 -10.307 -3.557 357 HB2 LEU 63 HB2 LEU 63 4.062 -12.849 -3.398 358 HB3 LEU 63 HB1 LEU 63 2.555 -11.967 -3.348 359 HG LEU 63 HG LEU 63 2.277 -12.559 -5.844 360 HD11 LEU 63 HD11 LEU 63 4.412 -14.611 -5.224 361 HD12 LEU 63 HD12 LEU 63 4.536 -13.275 -6.374 362 HD13 LEU 63 HD13 LEU 63 3.384 -14.575 -6.659 363 HD21 LEU 63 HD21 LEU 63 1.293 -14.751 -5.344 364 HD22 LEU 63 HD22 LEU 63 0.922 -13.577 -4.084 365 HD23 LEU 63 HD23 LEU 63 2.160 -14.806 -3.807 366 H GLY 64 HN GLY 64 6.201 -11.425 -3.145 367 HA2 GLY 64 HA2 GLY 64 8.255 -12.408 -3.737 368 HA3 GLY 64 HA1 GLY 64 7.894 -12.146 -5.437 369 H ASN 65 HN ASN 65 10.163 -11.435 -5.388 370 HA ASN 65 HA ASN 65 11.159 -9.209 -3.989 371 HB2 ASN 65 HB2 ASN 65 12.544 -10.943 -5.184 372 HB3 ASN 65 HB1 ASN 65 12.043 -10.255 -6.720 373 HD21 ASN 65 HD21 ASN 65 14.732 -10.583 -5.674 374 HD22 ASN 65 HD22 ASN 65 15.441 -9.009 -5.614 375 H ILE 66 HN ILE 66 10.435 -7.144 -4.131 376 HA ILE 66 HA ILE 66 8.396 -6.277 -5.839 377 HB ILE 66 HB ILE 66 10.358 -4.405 -4.426 378 HG12 ILE 66 HG12 ILE 66 7.797 -5.593 -3.269 379 HG13 ILE 66 HG11 ILE 66 9.422 -6.127 -2.842 380 HG21 ILE 66 HG21 ILE 66 7.448 -3.995 -5.213 381 HG22 ILE 66 HG22 ILE 66 8.845 -3.286 -6.025 382 HG23 ILE 66 HG23 ILE 66 8.464 -2.827 -4.366 383 HD11 ILE 66 HD11 ILE 66 9.901 -3.905 -1.907 384 HD12 ILE 66 HD12 ILE 66 8.493 -4.644 -1.152 385 HD13 ILE 66 HD13 ILE 66 8.276 -3.365 -2.344 386 H LYS 67 HN LYS 67 11.878 -5.693 -6.008 387 HA LYS 67 HA LYS 67 12.089 -3.906 -8.134 388 HB2 LYS 67 HB2 LYS 67 13.929 -6.162 -7.246 389 HB3 LYS 67 HB1 LYS 67 14.423 -4.880 -8.349 390 HG2 LYS 67 HG2 LYS 67 14.534 -3.283 -6.667 391 HG3 LYS 67 HG1 LYS 67 13.311 -4.067 -5.676 392 HD2 LYS 67 HD2 LYS 67 15.571 -4.157 -4.641 393 HD3 LYS 67 HD1 LYS 67 14.894 -5.762 -4.934 394 HE2 LYS 67 HE2 LYS 67 17.241 -5.766 -5.524 395 HE3 LYS 67 HE1 LYS 67 16.291 -5.917 -6.999 396 HZ1 LYS 67 HZ1 LYS 67 17.563 -3.435 -5.986 397 HZ2 LYS 67 HZ2 LYS 67 16.622 -3.545 -7.386 398 HZ3 LYS 67 HZ3 LYS 67 18.095 -4.370 -7.293 399 H ASN 68 HN ASN 68 12.008 -7.472 -8.155 400 HA ASN 68 HA ASN 68 12.308 -7.743 -11.003 401 HB2 ASN 68 HB2 ASN 68 11.471 -9.792 -8.901 402 HB3 ASN 68 HB1 ASN 68 11.805 -10.178 -10.587 403 HD21 ASN 68 HD21 ASN 68 13.545 -11.526 -10.179 404 HD22 ASN 68 HD22 ASN 68 15.043 -10.971 -9.522 405 H VAL 69 HN VAL 69 9.573 -7.666 -8.769 406 HA VAL 69 HA VAL 69 7.479 -8.377 -10.531 407 HB VAL 69 HB VAL 69 7.406 -6.491 -8.118 408 HG11 VAL 69 HG11 VAL 69 4.955 -6.849 -8.067 409 HG12 VAL 69 HG12 VAL 69 5.060 -7.787 -9.559 410 HG13 VAL 69 HG13 VAL 69 5.462 -6.069 -9.569 411 HG21 VAL 69 HG21 VAL 69 6.502 -8.431 -6.867 412 HG22 VAL 69 HG22 VAL 69 8.111 -8.763 -7.503 413 HG23 VAL 69 HG23 VAL 69 6.694 -9.447 -8.299 414 H ALA 70 HN ALA 70 9.036 -5.306 -9.758 415 HA ALA 70 HA ALA 70 7.306 -3.552 -11.171 416 HB1 ALA 70 HB1 ALA 70 8.976 -1.819 -10.674 417 HB2 ALA 70 HB2 ALA 70 10.160 -3.057 -10.242 418 HB3 ALA 70 HB3 ALA 70 8.714 -2.844 -9.254 419 H LYS 71 HN LYS 71 9.538 -5.750 -12.406 420 HA LYS 71 HA LYS 71 10.441 -4.318 -14.725 421 HB2 LYS 71 HB2 LYS 71 11.625 -6.328 -13.925 422 HB3 LYS 71 HB1 LYS 71 10.192 -7.314 -14.197 423 HG2 LYS 71 HG2 LYS 71 10.367 -6.829 -16.645 424 HG3 LYS 71 HG1 LYS 71 11.854 -5.929 -16.331 425 HD2 LYS 71 HD2 LYS 71 12.963 -7.951 -15.542 426 HD3 LYS 71 HD1 LYS 71 11.459 -8.870 -15.668 427 HE2 LYS 71 HE2 LYS 71 11.478 -8.446 -18.140 428 HE3 LYS 71 HE1 LYS 71 13.048 -7.663 -17.958 429 HZ1 LYS 71 HZ1 LYS 71 13.944 -9.737 -17.132 430 HZ2 LYS 71 HZ2 LYS 71 13.261 -9.951 -18.664 431 HZ3 LYS 71 HZ3 LYS 71 12.436 -10.486 -17.288 432 H THR 72 HN THR 72 7.838 -6.710 -14.147 433 HA THR 72 HA THR 72 6.632 -6.199 -16.762 434 HB THR 72 HB THR 72 6.847 -8.555 -16.005 435 HG1 THR 72 HG1 THR 72 4.840 -7.478 -17.172 436 HG21 THR 72 HG21 THR 72 5.400 -9.461 -14.231 437 HG22 THR 72 HG22 THR 72 4.816 -7.843 -13.848 438 HG23 THR 72 HG23 THR 72 6.508 -8.257 -13.560 439 H ALA 73 HN ALA 73 6.244 -5.286 -13.444 440 HA ALA 73 HA ALA 73 3.480 -4.408 -13.736 441 HB1 ALA 73 HB1 ALA 73 4.192 -5.346 -11.577 442 HB2 ALA 73 HB2 ALA 73 3.647 -3.678 -11.401 443 HB3 ALA 73 HB3 ALA 73 5.373 -4.048 -11.387 444 H ASN 74 HN ASN 74 3.752 -3.007 -15.446 445 HA ASN 74 HA ASN 74 5.385 -0.640 -15.335 446 HB2 ASN 74 HB2 ASN 74 4.260 0.026 -17.404 447 HB3 ASN 74 HB1 ASN 74 4.711 -1.670 -17.507 448 HD21 ASN 74 HD21 ASN 74 2.632 -0.090 -18.931 449 HD22 ASN 74 HD22 ASN 74 1.148 -0.941 -18.677 450 H LYS 75 HN LYS 75 4.138 1.549 -15.746 451 HA LYS 75 HA LYS 75 3.082 2.372 -13.307 452 HB2 LYS 75 HB2 LYS 75 4.140 3.817 -15.094 453 HB3 LYS 75 HB1 LYS 75 2.648 3.714 -16.000 454 HG2 LYS 75 HG2 LYS 75 2.171 5.680 -14.990 455 HG3 LYS 75 HG1 LYS 75 1.665 4.662 -13.644 456 HD2 LYS 75 HD2 LYS 75 4.434 5.908 -13.932 457 HD3 LYS 75 HD1 LYS 75 3.122 6.605 -12.991 458 HE2 LYS 75 HE2 LYS 75 3.138 4.513 -11.575 459 HE3 LYS 75 HE1 LYS 75 4.591 4.004 -12.439 460 HZ1 LYS 75 HZ1 LYS 75 4.287 6.487 -10.834 461 HZ2 LYS 75 HZ2 LYS 75 5.684 6.033 -11.672 462 HZ3 LYS 75 HZ3 LYS 75 5.139 5.104 -10.371 463 H ASP 76 HN ASP 76 1.410 1.473 -16.284 464 HA ASP 76 HA ASP 76 -1.240 2.113 -15.580 465 HB2 ASP 76 HB2 ASP 76 -0.556 1.766 -17.916 466 HB3 ASP 76 HB1 ASP 76 -0.176 0.076 -17.584 467 H HIS 77 HN HIS 77 0.634 -0.885 -15.189 468 HA HIS 77 HA HIS 77 -1.384 -2.661 -14.359 469 HB2 HIS 77 HB2 HIS 77 0.864 -3.446 -14.994 470 HB3 HIS 77 HB1 HIS 77 1.586 -2.609 -13.629 471 HD1 HIS 77 HD1 HIS 77 -0.068 -5.763 -14.605 472 HD2 HIS 77 HD2 HIS 77 1.083 -3.879 -11.081 473 HE1 HIS 77 HE1 HIS 77 -0.073 -7.553 -12.850 474 HE2 HIS 77 HE2 HIS 77 0.826 -6.428 -10.786 475 H LEU 78 HN LEU 78 0.669 -0.431 -12.616 476 HA LEU 78 HA LEU 78 0.155 -1.176 -9.968 477 HB2 LEU 78 HB2 LEU 78 0.798 1.626 -10.961 478 HB3 LEU 78 HB1 LEU 78 1.106 0.979 -9.348 479 HG LEU 78 HG LEU 78 2.433 -0.020 -11.890 480 HD11 LEU 78 HD11 LEU 78 3.607 1.772 -9.775 481 HD12 LEU 78 HD12 LEU 78 3.062 2.286 -11.374 482 HD13 LEU 78 HD13 LEU 78 4.405 1.161 -11.225 483 HD21 LEU 78 HD21 LEU 78 3.979 -1.199 -10.395 484 HD22 LEU 78 HD22 LEU 78 2.325 -1.758 -10.169 485 HD23 LEU 78 HD23 LEU 78 3.058 -0.664 -8.989 486 H VAL 79 HN VAL 79 -1.364 1.284 -12.016 487 HA VAL 79 HA VAL 79 -3.124 2.400 -10.112 488 HB VAL 79 HB VAL 79 -3.457 2.331 -13.154 489 HG11 VAL 79 HG11 VAL 79 -4.688 4.212 -11.108 490 HG12 VAL 79 HG12 VAL 79 -5.543 2.979 -12.033 491 HG13 VAL 79 HG13 VAL 79 -4.844 4.374 -12.860 492 HG21 VAL 79 HG21 VAL 79 -2.327 4.535 -13.168 493 HG22 VAL 79 HG22 VAL 79 -1.262 3.287 -12.519 494 HG23 VAL 79 HG23 VAL 79 -2.064 4.419 -11.429 495 H THR 80 HN THR 80 -3.601 -0.107 -12.597 496 HA THR 80 HA THR 80 -6.325 -0.657 -12.187 497 HB THR 80 HB THR 80 -4.168 -2.607 -13.128 498 HG1 THR 80 HG1 THR 80 -4.807 -0.350 -14.197 499 HG21 THR 80 HG21 THR 80 -6.338 -3.726 -12.620 500 HG22 THR 80 HG22 THR 80 -6.000 -3.731 -14.349 501 HG23 THR 80 HG23 THR 80 -7.172 -2.588 -13.691 502 H ALA 81 HN ALA 81 -3.446 -2.262 -10.797 503 HA ALA 81 HA ALA 81 -4.816 -4.222 -9.281 504 HB1 ALA 81 HB1 ALA 81 -2.463 -4.466 -9.971 505 HB2 ALA 81 HB2 ALA 81 -2.620 -4.611 -8.219 506 HB3 ALA 81 HB3 ALA 81 -2.007 -3.115 -8.931 507 H TYR 82 HN TYR 82 -3.477 -1.042 -8.478 508 HA TYR 82 HA TYR 82 -3.772 -1.026 -5.697 509 HB2 TYR 82 HB2 TYR 82 -2.399 0.627 -6.851 510 HB3 TYR 82 HB1 TYR 82 -3.785 1.262 -7.718 511 HD1 TYR 82 HD2 TYR 82 -2.096 1.124 -4.405 512 HD2 TYR 82 HD1 TYR 82 -5.224 2.922 -6.691 513 HE1 TYR 82 HE2 TYR 82 -2.404 2.848 -2.678 514 HE2 TYR 82 HE1 TYR 82 -5.464 4.661 -4.981 515 HH TYR 82 HH TYR 82 -4.897 5.239 -2.867 516 H ASN 83 HN ASN 83 -5.913 0.405 -8.171 517 HA ASN 83 HA ASN 83 -7.889 1.355 -6.404 518 HB2 ASN 83 HB2 ASN 83 -7.799 0.890 -9.398 519 HB3 ASN 83 HB1 ASN 83 -9.344 1.270 -8.651 520 HD21 ASN 83 HD21 ASN 83 -6.088 2.508 -9.263 521 HD22 ASN 83 HD22 ASN 83 -6.483 4.169 -9.024 522 H HIS 84 HN HIS 84 -7.589 -1.716 -8.120 523 HA HIS 84 HA HIS 84 -10.148 -2.787 -7.546 524 HB2 HIS 84 HB2 HIS 84 -7.520 -4.086 -8.330 525 HB3 HIS 84 HB1 HIS 84 -8.972 -5.039 -8.053 526 HD1 HIS 84 HD1 HIS 84 -10.473 -2.324 -9.541 527 HD2 HIS 84 HD2 HIS 84 -7.865 -5.206 -10.993 528 HE1 HIS 84 HE1 HIS 84 -10.779 -2.304 -12.028 529 HE2 HIS 84 HE2 HIS 84 -9.348 -4.203 -12.854 530 H LEU 85 HN LEU 85 -7.129 -2.788 -5.675 531 HA LEU 85 HA LEU 85 -7.664 -4.929 -3.940 532 HB2 LEU 85 HB2 LEU 85 -5.452 -3.812 -4.130 533 HB3 LEU 85 HB1 LEU 85 -6.098 -2.379 -3.367 534 HG LEU 85 HG LEU 85 -6.402 -3.608 -1.243 535 HD11 LEU 85 HD11 LEU 85 -6.893 -5.833 -2.076 536 HD12 LEU 85 HD12 LEU 85 -5.549 -5.887 -0.942 537 HD13 LEU 85 HD13 LEU 85 -5.239 -6.009 -2.674 538 HD21 LEU 85 HD21 LEU 85 -4.046 -3.939 -0.633 539 HD22 LEU 85 HD22 LEU 85 -4.252 -2.480 -1.598 540 HD23 LEU 85 HD23 LEU 85 -3.590 -3.938 -2.341 541 H PHE 86 HN PHE 86 -8.254 -1.493 -3.548 542 HA PHE 86 HA PHE 86 -9.608 -1.684 -1.019 543 HB2 PHE 86 HB2 PHE 86 -9.465 0.733 -2.861 544 HB3 PHE 86 HB1 PHE 86 -9.679 0.727 -1.106 545 HD1 PHE 86 HD2 PHE 86 -7.681 -0.241 0.322 546 HD2 PHE 86 HD1 PHE 86 -7.313 0.871 -3.777 547 HE1 PHE 86 HE2 PHE 86 -5.230 -0.154 0.546 548 HE2 PHE 86 HE1 PHE 86 -4.885 0.913 -3.532 549 HZ PHE 86 HZ PHE 86 -3.834 0.396 -1.384 550 H GLU 87 HN GLU 87 -10.520 -1.556 -4.377 551 HA GLU 87 HA GLU 87 -13.208 -0.776 -4.273 552 HB2 GLU 87 HB2 GLU 87 -11.805 -0.935 -6.343 553 HB3 GLU 87 HB1 GLU 87 -11.838 -2.684 -6.227 554 HG2 GLU 87 HG2 GLU 87 -13.376 -2.031 -7.926 555 HG3 GLU 87 HG1 GLU 87 -14.309 -2.617 -6.550 556 H THR 88 HN THR 88 -11.710 -3.841 -3.498 557 HA THR 88 HA THR 88 -14.351 -5.112 -2.976 558 HB THR 88 HB THR 88 -13.230 -7.313 -3.618 559 HG1 THR 88 HG1 THR 88 -11.305 -5.543 -4.742 560 HG21 THR 88 HG21 THR 88 -13.497 -7.022 -6.052 561 HG22 THR 88 HG22 THR 88 -13.434 -5.270 -5.858 562 HG23 THR 88 HG23 THR 88 -14.793 -6.178 -5.196 563 H LYS 89 HN LYS 89 -11.483 -4.038 -1.659 564 HA LYS 89 HA LYS 89 -10.391 -4.230 0.301 565 HB2 LYS 89 HB2 LYS 89 -12.989 -5.469 1.271 566 HB3 LYS 89 HB1 LYS 89 -11.707 -4.852 2.309 567 HG2 LYS 89 HG2 LYS 89 -12.075 -2.576 1.406 568 HG3 LYS 89 HG1 LYS 89 -13.382 -3.199 0.387 569 HD2 LYS 89 HD2 LYS 89 -13.291 -3.113 3.430 570 HD3 LYS 89 HD1 LYS 89 -14.346 -2.178 2.365 571 HE2 LYS 89 HE2 LYS 89 -15.384 -4.349 1.608 572 HE3 LYS 89 HE1 LYS 89 -14.422 -5.185 2.830 573 HZ1 LYS 89 HZ1 LYS 89 -16.509 -3.138 3.287 574 HZ2 LYS 89 HZ2 LYS 89 -15.506 -3.750 4.502 575 HZ3 LYS 89 HZ3 LYS 89 -16.574 -4.779 3.689 576 H ARG 90 HN ARG 90 -9.551 -6.093 -1.362 577 HA ARG 90 HA ARG 90 -9.540 -8.749 -0.186 578 HB2 ARG 90 HB2 ARG 90 -8.015 -7.555 -2.534 579 HB3 ARG 90 HB1 ARG 90 -7.907 -9.250 -2.049 580 HG2 ARG 90 HG2 ARG 90 -10.307 -9.540 -2.456 581 HG3 ARG 90 HG1 ARG 90 -10.458 -7.839 -2.904 582 HD2 ARG 90 HD2 ARG 90 -9.000 -8.182 -4.824 583 HD3 ARG 90 HD1 ARG 90 -8.730 -9.862 -4.339 584 HE ARG 90 HE ARG 90 -11.514 -9.348 -4.677 585 HH11 ARG 90 HH11 ARG 90 -8.619 -9.956 -6.586 586 HH12 ARG 90 HH12 ARG 90 -9.506 -10.489 -7.972 587 HH21 ARG 90 HH21 ARG 90 -12.657 -10.058 -6.513 588 HH22 ARG 90 HH22 ARG 90 -11.794 -10.545 -7.934 589 H PHE 91 HN PHE 91 -7.869 -5.913 0.427 590 HA PHE 91 HA PHE 91 -5.492 -7.019 1.587 591 HB2 PHE 91 HB2 PHE 91 -5.242 -4.840 2.749 592 HB3 PHE 91 HB1 PHE 91 -5.515 -4.651 1.029 593 HD1 PHE 91 HD2 PHE 91 -7.037 -4.189 4.385 594 HD2 PHE 91 HD1 PHE 91 -7.453 -3.481 0.198 595 HE1 PHE 91 HE2 PHE 91 -8.821 -2.571 4.848 596 HE2 PHE 91 HE1 PHE 91 -9.255 -1.863 0.671 597 HZ PHE 91 HZ PHE 91 -9.940 -1.404 2.984 598 H LYS 92 HN LYS 92 -5.061 -6.858 3.993 599 HA LYS 92 HA LYS 92 -6.730 -8.712 5.322 600 HB2 LYS 92 HB2 LYS 92 -4.521 -6.993 6.524 601 HB3 LYS 92 HB1 LYS 92 -5.204 -8.452 7.241 602 HG2 LYS 92 HG2 LYS 92 -3.586 -8.294 4.667 603 HG3 LYS 92 HG1 LYS 92 -3.012 -8.894 6.225 604 HD2 LYS 92 HD2 LYS 92 -5.270 -10.146 4.590 605 HD3 LYS 92 HD1 LYS 92 -3.599 -10.719 4.610 606 HE2 LYS 92 HE2 LYS 92 -3.817 -11.139 7.069 607 HE3 LYS 92 HE1 LYS 92 -5.510 -10.649 6.974 608 HZ1 LYS 92 HZ1 LYS 92 -5.937 -12.475 5.496 609 HZ2 LYS 92 HZ2 LYS 92 -5.223 -13.048 6.915 610 HZ3 LYS 92 HZ3 LYS 92 -4.307 -12.919 5.501 Start of MODEL 9 1 H MET 20 H MET 20 -8.133 -5.686 19.837 2 HA MET 20 HA MET 20 -6.515 -5.894 18.078 3 HB2 MET 20 HB2 MET 20 -8.694 -7.530 16.702 4 HB3 MET 20 HB1 MET 20 -7.206 -6.991 15.937 5 HG2 MET 20 HG2 MET 20 -5.899 -8.412 17.439 6 HG3 MET 20 HG1 MET 20 -7.369 -8.915 18.268 7 HE1 MET 20 HE1 MET 20 -6.579 -9.955 13.823 8 HE2 MET 20 HE2 MET 20 -5.469 -8.969 14.781 9 HE3 MET 20 HE3 MET 20 -7.068 -8.354 14.367 10 H ALA 21 HN ALA 21 -6.494 -4.184 16.604 11 HA ALA 21 HA ALA 21 -8.933 -2.604 16.222 12 HB1 ALA 21 HB1 ALA 21 -7.437 -0.951 15.155 13 HB2 ALA 21 HB2 ALA 21 -6.086 -2.083 15.258 14 HB3 ALA 21 HB3 ALA 21 -6.808 -1.436 16.731 15 H ALA 22 HN ALA 22 -9.653 -2.025 14.057 16 HA ALA 22 HA ALA 22 -9.804 -4.227 12.226 17 HB1 ALA 22 HB1 ALA 22 -10.759 -1.348 11.900 18 HB2 ALA 22 HB2 ALA 22 -11.702 -2.682 12.567 19 HB3 ALA 22 HB3 ALA 22 -11.217 -2.713 10.873 20 H ALA 23 HN ALA 23 -8.150 -4.741 10.914 21 HA ALA 23 HA ALA 23 -6.180 -2.873 9.944 22 HB1 ALA 23 HB1 ALA 23 -5.273 -4.795 8.692 23 HB2 ALA 23 HB2 ALA 23 -6.691 -5.754 9.122 24 HB3 ALA 23 HB3 ALA 23 -5.572 -5.223 10.380 25 H VAL 24 HN VAL 24 -7.633 -1.352 8.995 26 HA VAL 24 HA VAL 24 -8.785 -2.098 6.364 27 HB VAL 24 HB VAL 24 -10.400 -0.128 6.760 28 HG11 VAL 24 HG11 VAL 24 -11.135 -2.477 6.897 29 HG12 VAL 24 HG12 VAL 24 -11.976 -1.492 8.093 30 HG13 VAL 24 HG13 VAL 24 -10.650 -2.542 8.596 31 HG21 VAL 24 HG21 VAL 24 -9.222 0.968 8.641 32 HG22 VAL 24 HG22 VAL 24 -9.501 -0.449 9.653 33 HG23 VAL 24 HG23 VAL 24 -10.867 0.529 9.111 34 HA PRO 25 HA PRO 25 -5.209 0.824 5.805 35 HB2 PRO 25 HB2 PRO 25 -4.278 -0.217 3.451 36 HB3 PRO 25 HB1 PRO 25 -3.907 -0.930 5.027 37 HG2 PRO 25 HG2 PRO 25 -6.036 -1.729 3.043 38 HG3 PRO 25 HG1 PRO 25 -4.884 -2.764 3.916 39 HD2 PRO 25 HD2 PRO 25 -7.441 -2.472 4.750 40 HD3 PRO 25 HD1 PRO 25 -6.103 -2.664 5.908 41 H GLN 26 HN GLN 26 -5.924 2.755 5.240 42 HA GLN 26 HA GLN 26 -7.469 3.349 2.870 43 HB2 GLN 26 HB2 GLN 26 -5.950 5.218 4.750 44 HB3 GLN 26 HB1 GLN 26 -7.155 5.709 3.556 45 HG2 GLN 26 HG2 GLN 26 -8.907 4.541 4.795 46 HG3 GLN 26 HG1 GLN 26 -7.723 3.916 5.941 47 HE21 GLN 26 HE21 GLN 26 -10.082 5.484 6.469 48 HE22 GLN 26 HE22 GLN 26 -9.558 6.920 7.275 49 H ARG 27 HN ARG 27 -6.638 4.549 1.081 50 HA ARG 27 HA ARG 27 -4.190 3.688 0.052 51 HB2 ARG 27 HB2 ARG 27 -4.528 5.185 -1.806 52 HB3 ARG 27 HB1 ARG 27 -6.077 4.495 -1.359 53 HG2 ARG 27 HG2 ARG 27 -5.183 7.284 -0.544 54 HG3 ARG 27 HG1 ARG 27 -6.109 6.946 -2.007 55 HD2 ARG 27 HD2 ARG 27 -7.024 6.332 0.825 56 HD3 ARG 27 HD1 ARG 27 -7.513 7.732 -0.129 57 HE ARG 27 HE ARG 27 -8.031 5.218 -1.446 58 HH11 ARG 27 HH11 ARG 27 -9.392 7.530 0.833 59 HH12 ARG 27 HH12 ARG 27 -11.020 6.994 0.581 60 HH21 ARG 27 HH21 ARG 27 -10.182 4.558 -1.789 61 HH22 ARG 27 HH22 ARG 27 -11.465 5.320 -0.902 62 H ALA 28 HN ALA 28 -2.188 4.578 -0.104 63 HA ALA 28 HA ALA 28 -1.396 6.614 1.825 64 HB1 ALA 28 HB1 ALA 28 0.913 5.992 1.202 65 HB2 ALA 28 HB2 ALA 28 0.300 4.954 -0.086 66 HB3 ALA 28 HB3 ALA 28 -0.041 4.559 1.598 67 H TRP 29 HN TRP 29 -1.403 6.093 -1.681 68 HA TRP 29 HA TRP 29 -1.088 8.997 -2.201 69 HB2 TRP 29 HB2 TRP 29 -0.169 6.739 -4.051 70 HB3 TRP 29 HB1 TRP 29 0.132 8.463 -4.249 71 HD1 TRP 29 HD1 TRP 29 1.898 9.581 -2.370 72 HE1 TRP 29 HE1 TRP 29 3.914 8.497 -1.200 73 HE3 TRP 29 HE3 TRP 29 0.773 4.649 -3.166 74 HZ2 TRP 29 HZ2 TRP 29 4.912 5.916 -0.684 75 HZ3 TRP 29 HZ3 TRP 29 2.314 2.932 -2.307 76 HH2 TRP 29 HH2 TRP 29 4.343 3.556 -1.090 77 H THR 30 HN THR 30 -2.307 9.765 -4.072 78 HA THR 30 HA THR 30 -4.882 8.383 -4.360 79 HB THR 30 HB THR 30 -5.577 10.504 -5.518 80 HG1 THR 30 HG1 THR 30 -4.115 11.923 -6.073 81 HG21 THR 30 HG21 THR 30 -5.919 10.297 -3.078 82 HG22 THR 30 HG22 THR 30 -5.537 11.962 -3.528 83 HG23 THR 30 HG23 THR 30 -4.298 10.942 -2.794 84 H VAL 31 HN VAL 31 -5.845 8.682 -6.733 85 HA VAL 31 HA VAL 31 -4.651 6.585 -8.123 86 HB VAL 31 HB VAL 31 -7.049 7.024 -8.216 87 HG11 VAL 31 HG11 VAL 31 -7.089 9.470 -8.268 88 HG12 VAL 31 HG12 VAL 31 -8.041 8.819 -9.604 89 HG13 VAL 31 HG13 VAL 31 -6.432 9.473 -9.908 90 HG21 VAL 31 HG21 VAL 31 -5.828 7.063 -11.013 91 HG22 VAL 31 HG22 VAL 31 -7.471 6.558 -10.613 92 HG23 VAL 31 HG23 VAL 31 -6.099 5.631 -10.012 93 H GLU 32 HN GLU 32 -4.624 10.051 -8.970 94 HA GLU 32 HA GLU 32 -3.002 9.715 -11.321 95 HB2 GLU 32 HB2 GLU 32 -2.956 12.145 -11.525 96 HB3 GLU 32 HB1 GLU 32 -4.597 11.603 -11.221 97 HG2 GLU 32 HG2 GLU 32 -2.883 12.591 -8.941 98 HG3 GLU 32 HG1 GLU 32 -3.659 13.744 -10.027 99 H GLN 33 HN GLN 33 -2.316 10.464 -7.896 100 HA GLN 33 HA GLN 33 0.425 11.128 -8.193 101 HB2 GLN 33 HB2 GLN 33 -1.036 9.854 -5.862 102 HB3 GLN 33 HB1 GLN 33 0.684 10.231 -5.806 103 HG2 GLN 33 HG2 GLN 33 0.086 12.634 -6.288 104 HG3 GLN 33 HG1 GLN 33 -1.613 12.197 -6.083 105 HE21 GLN 33 HE21 GLN 33 -2.348 11.612 -3.973 106 HE22 GLN 33 HE22 GLN 33 -1.450 12.018 -2.559 107 H LEU 34 HN LEU 34 -1.245 8.069 -8.249 108 HA LEU 34 HA LEU 34 1.069 6.370 -8.165 109 HB2 LEU 34 HB2 LEU 34 -1.639 5.813 -9.394 110 HB3 LEU 34 HB1 LEU 34 -0.430 4.613 -8.951 111 HG LEU 34 HG LEU 34 -1.870 6.405 -6.965 112 HD11 LEU 34 HD11 LEU 34 -3.429 4.950 -8.093 113 HD12 LEU 34 HD12 LEU 34 -3.206 4.459 -6.419 114 HD13 LEU 34 HD13 LEU 34 -2.437 3.537 -7.716 115 HD21 LEU 34 HD21 LEU 34 -1.014 4.891 -5.246 116 HD22 LEU 34 HD22 LEU 34 0.318 5.615 -6.142 117 HD23 LEU 34 HD23 LEU 34 -0.153 3.944 -6.466 118 H ARG 35 HN ARG 35 -0.888 7.840 -10.744 119 HA ARG 35 HA ARG 35 0.573 6.712 -12.942 120 HB2 ARG 35 HB2 ARG 35 -1.230 9.174 -12.854 121 HB3 ARG 35 HB1 ARG 35 -0.617 8.419 -14.327 122 HG2 ARG 35 HG2 ARG 35 -1.853 6.319 -13.680 123 HG3 ARG 35 HG1 ARG 35 -2.555 7.211 -12.325 124 HD2 ARG 35 HD2 ARG 35 -2.877 7.922 -15.266 125 HD3 ARG 35 HD1 ARG 35 -4.078 7.099 -14.268 126 HE ARG 35 HE ARG 35 -4.268 9.116 -12.936 127 HH11 ARG 35 HH11 ARG 35 -2.604 9.607 -15.991 128 HH12 ARG 35 HH12 ARG 35 -3.114 11.257 -16.129 129 HH21 ARG 35 HH21 ARG 35 -4.940 11.272 -13.150 130 HH22 ARG 35 HH22 ARG 35 -4.427 12.201 -14.523 131 H SER 36 HN SER 36 1.149 9.326 -10.779 132 HA SER 36 HA SER 36 2.719 11.049 -12.366 133 HB2 SER 36 HB2 SER 36 1.782 11.763 -10.208 134 HB3 SER 36 HB1 SER 36 2.785 10.592 -9.349 135 HG SER 36 HG SER 36 3.391 13.076 -10.149 136 H GLU 37 HN GLU 37 4.642 10.753 -13.189 137 HA GLU 37 HA GLU 37 6.239 8.449 -12.958 138 HB2 GLU 37 HB2 GLU 37 7.010 11.215 -13.971 139 HB3 GLU 37 HB1 GLU 37 7.856 9.711 -14.336 140 HG2 GLU 37 HG2 GLU 37 5.960 8.901 -15.628 141 HG3 GLU 37 HG1 GLU 37 4.985 10.291 -15.147 142 H GLN 38 HN GLN 38 6.085 11.304 -11.036 143 HA GLN 38 HA GLN 38 8.643 11.460 -9.875 144 HB2 GLN 38 HB2 GLN 38 5.966 12.107 -8.566 145 HB3 GLN 38 HB1 GLN 38 7.543 12.728 -8.076 146 HG2 GLN 38 HG2 GLN 38 7.713 13.959 -10.211 147 HG3 GLN 38 HG1 GLN 38 6.138 13.334 -10.703 148 HE21 GLN 38 HE21 GLN 38 6.926 16.117 -10.375 149 HE22 GLN 38 HE22 GLN 38 5.892 16.792 -9.166 150 H LEU 39 HN LEU 39 5.679 9.767 -8.824 151 HA LEU 39 HA LEU 39 6.843 8.561 -6.494 152 HB2 LEU 39 HB2 LEU 39 4.419 9.058 -6.662 153 HB3 LEU 39 HB1 LEU 39 4.269 7.934 -8.002 154 HG LEU 39 HG LEU 39 4.867 6.050 -6.464 155 HD11 LEU 39 HD11 LEU 39 6.176 7.256 -4.796 156 HD12 LEU 39 HD12 LEU 39 4.866 6.353 -4.045 157 HD13 LEU 39 HD13 LEU 39 4.728 8.103 -4.239 158 HD21 LEU 39 HD21 LEU 39 2.522 6.536 -6.945 159 HD22 LEU 39 HD22 LEU 39 2.454 7.662 -5.587 160 HD23 LEU 39 HD23 LEU 39 2.716 5.940 -5.296 161 HA PRO 40 HA PRO 40 8.877 5.125 -8.770 162 HB2 PRO 40 HB2 PRO 40 9.095 4.021 -5.980 163 HB3 PRO 40 HB1 PRO 40 10.357 4.229 -7.203 164 HG2 PRO 40 HG2 PRO 40 10.239 5.894 -5.140 165 HG3 PRO 40 HG1 PRO 40 10.573 6.538 -6.768 166 HD2 PRO 40 HD2 PRO 40 7.970 6.529 -5.220 167 HD3 PRO 40 HD1 PRO 40 8.734 7.856 -6.134 168 H LYS 41 HN LYS 41 8.357 3.062 -9.380 169 HA LYS 41 HA LYS 41 5.668 2.150 -9.192 170 HB2 LYS 41 HB2 LYS 41 8.111 0.562 -10.112 171 HB3 LYS 41 HB1 LYS 41 6.431 0.277 -10.564 172 HG2 LYS 41 HG2 LYS 41 6.407 2.406 -11.808 173 HG3 LYS 41 HG1 LYS 41 8.075 2.716 -11.327 174 HD2 LYS 41 HD2 LYS 41 7.998 1.856 -13.611 175 HD3 LYS 41 HD1 LYS 41 8.795 0.693 -12.549 176 HE2 LYS 41 HE2 LYS 41 6.601 -0.551 -12.401 177 HE3 LYS 41 HE1 LYS 41 5.956 0.547 -13.628 178 HZ1 LYS 41 HZ1 LYS 41 7.713 -0.208 -15.124 179 HZ2 LYS 41 HZ2 LYS 41 6.746 -1.497 -14.616 180 HZ3 LYS 41 HZ3 LYS 41 8.282 -1.275 -13.949 181 H LYS 42 HN LYS 42 8.722 1.070 -7.839 182 HA LYS 42 HA LYS 42 8.043 -1.243 -6.485 183 HB2 LYS 42 HB2 LYS 42 10.085 -0.731 -5.062 184 HB3 LYS 42 HB1 LYS 42 10.351 -0.704 -6.803 185 HG2 LYS 42 HG2 LYS 42 10.374 1.719 -6.836 186 HG3 LYS 42 HG1 LYS 42 9.900 1.809 -5.138 187 HD2 LYS 42 HD2 LYS 42 12.496 0.530 -6.095 188 HD3 LYS 42 HD1 LYS 42 12.363 2.223 -5.613 189 HE2 LYS 42 HE2 LYS 42 11.706 -0.133 -3.810 190 HE3 LYS 42 HE1 LYS 42 13.230 0.760 -3.802 191 HZ1 LYS 42 HZ1 LYS 42 11.658 1.505 -2.084 192 HZ2 LYS 42 HZ2 LYS 42 10.572 1.991 -3.286 193 HZ3 LYS 42 HZ3 LYS 42 12.082 2.742 -3.153 194 H ASP 43 HN ASP 43 7.728 2.096 -5.420 195 HA ASP 43 HA ASP 43 7.162 1.627 -2.686 196 HB2 ASP 43 HB2 ASP 43 6.651 3.990 -4.525 197 HB3 ASP 43 HB1 ASP 43 6.045 3.990 -2.870 198 H ILE 44 HN ILE 44 5.069 1.906 -5.528 199 HA ILE 44 HA ILE 44 2.571 1.803 -4.151 200 HB ILE 44 HB ILE 44 3.129 0.940 -7.023 201 HG12 ILE 44 HG12 ILE 44 2.384 3.705 -5.975 202 HG13 ILE 44 HG11 ILE 44 3.947 3.244 -6.643 203 HG21 ILE 44 HG21 ILE 44 0.515 1.840 -5.746 204 HG22 ILE 44 HG22 ILE 44 0.917 0.189 -6.219 205 HG23 ILE 44 HG23 ILE 44 0.744 1.439 -7.449 206 HD11 ILE 44 HD11 ILE 44 2.669 4.488 -8.251 207 HD12 ILE 44 HD12 ILE 44 1.328 3.351 -8.133 208 HD13 ILE 44 HD13 ILE 44 2.874 2.829 -8.812 209 H ILE 45 HN ILE 45 4.543 -0.650 -5.814 210 HA ILE 45 HA ILE 45 2.894 -2.904 -5.449 211 HB ILE 45 HB ILE 45 5.940 -2.764 -5.702 212 HG12 ILE 45 HG12 ILE 45 3.817 -3.244 -7.841 213 HG13 ILE 45 HG11 ILE 45 4.614 -1.698 -7.564 214 HG21 ILE 45 HG21 ILE 45 5.861 -5.109 -6.482 215 HG22 ILE 45 HG22 ILE 45 4.127 -5.171 -6.161 216 HG23 ILE 45 HG23 ILE 45 5.263 -4.973 -4.826 217 HD11 ILE 45 HD11 ILE 45 5.967 -4.244 -8.456 218 HD12 ILE 45 HD12 ILE 45 6.745 -2.676 -8.221 219 HD13 ILE 45 HD13 ILE 45 5.522 -2.878 -9.476 220 H LYS 46 HN LYS 46 5.516 -1.589 -3.435 221 HA LYS 46 HA LYS 46 5.588 -3.623 -1.477 222 HB2 LYS 46 HB2 LYS 46 7.430 -1.991 -1.798 223 HB3 LYS 46 HB1 LYS 46 6.388 -0.696 -1.203 224 HG2 LYS 46 HG2 LYS 46 6.259 -1.841 1.001 225 HG3 LYS 46 HG1 LYS 46 7.319 -3.116 0.390 226 HD2 LYS 46 HD2 LYS 46 9.143 -1.483 0.118 227 HD3 LYS 46 HD1 LYS 46 8.086 -0.178 0.669 228 HE2 LYS 46 HE2 LYS 46 7.892 -1.280 2.881 229 HE3 LYS 46 HE1 LYS 46 8.941 -2.587 2.324 230 HZ1 LYS 46 HZ1 LYS 46 9.733 0.271 2.534 231 HZ2 LYS 46 HZ2 LYS 46 10.731 -1.017 2.078 232 HZ3 LYS 46 HZ3 LYS 46 10.122 -0.939 3.652 233 H PHE 47 HN PHE 47 3.741 -0.621 -1.737 234 HA PHE 47 HA PHE 47 2.464 -0.630 0.796 235 HB2 PHE 47 HB2 PHE 47 2.465 1.371 -0.625 236 HB3 PHE 47 HB1 PHE 47 1.602 0.523 -1.900 237 HD1 PHE 47 HD2 PHE 47 1.095 1.125 1.755 238 HD2 PHE 47 HD1 PHE 47 -0.642 1.217 -2.125 239 HE1 PHE 47 HE2 PHE 47 -1.023 1.894 2.742 240 HE2 PHE 47 HE1 PHE 47 -2.775 1.976 -1.150 241 HZ PHE 47 HZ PHE 47 -2.971 2.309 1.287 242 H LEU 48 HN LEU 48 1.368 -1.858 -2.363 243 HA LEU 48 HA LEU 48 -1.189 -2.729 -1.460 244 HB2 LEU 48 HB2 LEU 48 0.311 -3.449 -4.005 245 HB3 LEU 48 HB1 LEU 48 -1.397 -3.763 -3.713 246 HG LEU 48 HG LEU 48 -0.114 -0.998 -3.893 247 HD11 LEU 48 HD11 LEU 48 -1.315 -0.799 -6.034 248 HD12 LEU 48 HD12 LEU 48 -1.896 -2.460 -5.882 249 HD13 LEU 48 HD13 LEU 48 -0.168 -2.138 -6.064 250 HD21 LEU 48 HD21 LEU 48 -2.410 -0.114 -3.847 251 HD22 LEU 48 HD22 LEU 48 -2.022 -0.974 -2.358 252 HD23 LEU 48 HD23 LEU 48 -3.049 -1.739 -3.578 253 H GLN 49 HN GLN 49 1.943 -4.329 -1.695 254 HA GLN 49 HA GLN 49 0.833 -6.996 -1.355 255 HB2 GLN 49 HB2 GLN 49 3.082 -7.840 -1.449 256 HB3 GLN 49 HB1 GLN 49 2.904 -6.621 -2.706 257 HG2 GLN 49 HG2 GLN 49 4.104 -4.995 -1.316 258 HG3 GLN 49 HG1 GLN 49 4.232 -6.181 -0.019 259 HE21 GLN 49 HE21 GLN 49 4.703 -6.914 -3.468 260 HE22 GLN 49 HE22 GLN 49 6.390 -7.245 -3.336 261 H GLU 50 HN GLU 50 2.060 -4.483 0.685 262 HA GLU 50 HA GLU 50 2.790 -5.917 2.991 263 HB2 GLU 50 HB2 GLU 50 3.364 -3.542 2.632 264 HB3 GLU 50 HB1 GLU 50 1.671 -3.095 2.758 265 HG2 GLU 50 HG2 GLU 50 2.912 -2.549 4.803 266 HG3 GLU 50 HG1 GLU 50 1.626 -3.715 5.109 267 H HIS 51 HN HIS 51 -0.378 -4.715 1.920 268 HA HIS 51 HA HIS 51 -1.648 -6.029 4.282 269 HB2 HIS 51 HB2 HIS 51 -3.477 -4.254 4.057 270 HB3 HIS 51 HB1 HIS 51 -1.918 -3.702 4.657 271 HD1 HIS 51 HD1 HIS 51 -3.950 -3.689 1.446 272 HD2 HIS 51 HD2 HIS 51 -0.809 -1.659 3.242 273 HE1 HIS 51 HE1 HIS 51 -3.431 -1.756 -0.068 274 HE2 HIS 51 HE2 HIS 51 -1.402 -0.693 0.935 275 H GLY 52 HN GLY 52 -1.833 -5.529 0.807 276 HA2 GLY 52 HA2 GLY 52 -4.308 -6.729 0.228 277 HA3 GLY 52 HA1 GLY 52 -2.904 -6.704 -0.832 278 H SER 53 HN SER 53 -4.981 -8.824 -0.013 279 HA SER 53 HA SER 53 -3.719 -10.912 1.420 280 HB2 SER 53 HB2 SER 53 -6.132 -10.870 1.143 281 HB3 SER 53 HB1 SER 53 -5.993 -10.932 -0.613 282 HG SER 53 HG SER 53 -6.517 -12.963 0.268 283 H ASP 54 HN ASP 54 -2.824 -12.856 0.711 284 HA ASP 54 HA ASP 54 -0.870 -12.832 -1.274 285 HB2 ASP 54 HB2 ASP 54 -0.789 -14.391 0.603 286 HB3 ASP 54 HB1 ASP 54 -2.285 -15.155 0.099 287 H SER 55 HN SER 55 -4.207 -14.004 -1.418 288 HA SER 55 HA SER 55 -4.137 -15.194 -3.989 289 HB2 SER 55 HB2 SER 55 -6.483 -13.970 -2.476 290 HB3 SER 55 HB1 SER 55 -6.609 -15.068 -3.859 291 HG SER 55 HG SER 55 -5.494 -16.633 -2.584 292 H PHE 56 HN PHE 56 -5.004 -11.914 -2.895 293 HA PHE 56 HA PHE 56 -5.647 -10.729 -5.372 294 HB2 PHE 56 HB2 PHE 56 -6.262 -9.486 -3.443 295 HB3 PHE 56 HB1 PHE 56 -4.678 -9.654 -2.705 296 HD1 PHE 56 HD1 PHE 56 -6.367 -7.988 -5.630 297 HD2 PHE 56 HD2 PHE 56 -3.182 -7.826 -2.785 298 HE1 PHE 56 HE1 PHE 56 -5.743 -5.761 -6.452 299 HE2 PHE 56 HE2 PHE 56 -2.559 -5.594 -3.619 300 HZ PHE 56 HZ PHE 56 -3.837 -4.562 -5.454 301 H LEU 57 HN LEU 57 -2.565 -11.197 -3.713 302 HA LEU 57 HA LEU 57 -0.972 -9.588 -5.455 303 HB2 LEU 57 HB2 LEU 57 -0.115 -11.795 -3.545 304 HB3 LEU 57 HB1 LEU 57 0.957 -10.624 -4.299 305 HG LEU 57 HG LEU 57 -1.150 -10.082 -2.187 306 HD11 LEU 57 HD11 LEU 57 1.858 -9.764 -2.093 307 HD12 LEU 57 HD12 LEU 57 0.916 -11.046 -1.327 308 HD13 LEU 57 HD13 LEU 57 0.723 -9.378 -0.795 309 HD21 LEU 57 HD21 LEU 57 -0.564 -7.727 -2.284 310 HD22 LEU 57 HD22 LEU 57 -1.182 -8.259 -3.841 311 HD23 LEU 57 HD23 LEU 57 0.554 -8.021 -3.617 312 H ALA 58 HN ALA 58 -1.765 -13.048 -5.315 313 HA ALA 58 HA ALA 58 0.089 -13.962 -7.269 314 HB1 ALA 58 HB1 ALA 58 -2.551 -15.195 -6.385 315 HB2 ALA 58 HB2 ALA 58 -0.973 -15.494 -5.652 316 HB3 ALA 58 HB3 ALA 58 -1.291 -16.022 -7.306 317 H GLU 59 HN GLU 59 -3.381 -13.183 -7.452 318 HA GLU 59 HA GLU 59 -3.823 -13.600 -10.192 319 HB2 GLU 59 HB2 GLU 59 -5.206 -11.681 -8.264 320 HB3 GLU 59 HB1 GLU 59 -5.818 -12.080 -9.867 321 HG2 GLU 59 HG2 GLU 59 -6.074 -14.433 -9.208 322 HG3 GLU 59 HG1 GLU 59 -5.426 -14.064 -7.608 323 H HIS 60 HN HIS 60 -2.404 -10.842 -8.511 324 HA HIS 60 HA HIS 60 -2.317 -9.290 -11.053 325 HB2 HIS 60 HB2 HIS 60 -2.432 -8.218 -8.199 326 HB3 HIS 60 HB1 HIS 60 -2.372 -7.242 -9.672 327 HD1 HIS 60 HD1 HIS 60 -4.699 -8.603 -7.330 328 HD2 HIS 60 HD2 HIS 60 -4.754 -7.896 -11.413 329 HE1 HIS 60 HE1 HIS 60 -7.120 -8.680 -7.981 330 HE2 HIS 60 HE2 HIS 60 -7.095 -8.468 -10.483 331 H LYS 61 HN LYS 61 -0.330 -11.212 -9.502 332 HA LYS 61 HA LYS 61 1.909 -11.532 -9.468 333 HB2 LYS 61 HB2 LYS 61 1.741 -9.468 -11.686 334 HB3 LYS 61 HB1 LYS 61 3.269 -10.236 -11.261 335 HG2 LYS 61 HG2 LYS 61 2.278 -12.456 -11.753 336 HG3 LYS 61 HG1 LYS 61 0.768 -11.668 -12.231 337 HD2 LYS 61 HD2 LYS 61 1.847 -10.577 -14.106 338 HD3 LYS 61 HD1 LYS 61 3.447 -11.090 -13.567 339 HE2 LYS 61 HE2 LYS 61 2.613 -12.422 -15.492 340 HE3 LYS 61 HE1 LYS 61 2.901 -13.424 -14.072 341 HZ1 LYS 61 HZ1 LYS 61 0.250 -12.410 -14.946 342 HZ2 LYS 61 HZ2 LYS 61 0.535 -13.429 -13.628 343 HZ3 LYS 61 HZ3 LYS 61 0.835 -13.974 -15.199 344 H LEU 62 HN LEU 62 0.854 -9.367 -7.623 345 HA LEU 62 HA LEU 62 2.976 -7.379 -7.482 346 HB2 LEU 62 HB2 LEU 62 0.558 -7.824 -5.698 347 HB3 LEU 62 HB1 LEU 62 1.678 -6.474 -5.540 348 HG LEU 62 HG LEU 62 -0.160 -7.011 -7.912 349 HD11 LEU 62 HD11 LEU 62 -0.285 -4.857 -5.785 350 HD12 LEU 62 HD12 LEU 62 -1.371 -6.240 -5.951 351 HD13 LEU 62 HD13 LEU 62 -1.340 -4.994 -7.193 352 HD21 LEU 62 HD21 LEU 62 1.910 -5.982 -8.705 353 HD22 LEU 62 HD22 LEU 62 1.786 -4.708 -7.488 354 HD23 LEU 62 HD23 LEU 62 0.587 -4.820 -8.782 355 H LEU 63 HN LEU 63 2.530 -10.523 -6.223 356 HA LEU 63 HA LEU 63 4.131 -10.131 -3.820 357 HB2 LEU 63 HB2 LEU 63 4.042 -12.657 -3.650 358 HB3 LEU 63 HB1 LEU 63 2.515 -11.812 -3.563 359 HG LEU 63 HG LEU 63 2.125 -12.458 -6.007 360 HD11 LEU 63 HD11 LEU 63 4.383 -13.032 -6.714 361 HD12 LEU 63 HD12 LEU 63 3.302 -14.408 -6.907 362 HD13 LEU 63 HD13 LEU 63 4.437 -14.366 -5.555 363 HD21 LEU 63 HD21 LEU 63 1.333 -14.709 -5.439 364 HD22 LEU 63 HD22 LEU 63 0.964 -13.542 -4.172 365 HD23 LEU 63 HD23 LEU 63 2.298 -14.679 -3.959 366 H GLY 64 HN GLY 64 5.963 -11.802 -3.544 367 HA2 GLY 64 HA2 GLY 64 7.906 -12.854 -4.299 368 HA3 GLY 64 HA1 GLY 64 7.639 -12.206 -5.913 369 H ASN 65 HN ASN 65 9.755 -11.424 -6.096 370 HA ASN 65 HA ASN 65 10.893 -9.517 -4.253 371 HB2 ASN 65 HB2 ASN 65 11.755 -10.142 -7.114 372 HB3 ASN 65 HB1 ASN 65 12.708 -9.306 -5.894 373 HD21 ASN 65 HD21 ASN 65 11.870 -11.266 -3.754 374 HD22 ASN 65 HD22 ASN 65 12.789 -12.684 -4.097 375 H ILE 66 HN ILE 66 10.263 -7.451 -4.151 376 HA ILE 66 HA ILE 66 8.395 -6.147 -5.753 377 HB ILE 66 HB ILE 66 10.628 -4.813 -4.140 378 HG12 ILE 66 HG12 ILE 66 7.801 -5.534 -3.225 379 HG13 ILE 66 HG11 ILE 66 9.262 -6.407 -2.777 380 HG21 ILE 66 HG21 ILE 66 9.532 -3.224 -5.674 381 HG22 ILE 66 HG22 ILE 66 9.140 -2.842 -4.001 382 HG23 ILE 66 HG23 ILE 66 7.948 -3.654 -5.020 383 HD11 ILE 66 HD11 ILE 66 10.098 -4.443 -1.608 384 HD12 ILE 66 HD12 ILE 66 8.513 -4.924 -1.004 385 HD13 ILE 66 HD13 ILE 66 8.659 -3.537 -2.080 386 H LYS 67 HN LYS 67 11.968 -5.926 -5.857 387 HA LYS 67 HA LYS 67 12.326 -4.103 -7.922 388 HB2 LYS 67 HB2 LYS 67 14.584 -5.135 -8.219 389 HB3 LYS 67 HB1 LYS 67 14.181 -4.824 -6.532 390 HG2 LYS 67 HG2 LYS 67 13.666 -7.201 -6.182 391 HG3 LYS 67 HG1 LYS 67 13.983 -7.540 -7.886 392 HD2 LYS 67 HD2 LYS 67 16.356 -6.863 -7.563 393 HD3 LYS 67 HD1 LYS 67 16.023 -6.538 -5.858 394 HE2 LYS 67 HE2 LYS 67 15.457 -8.932 -5.522 395 HE3 LYS 67 HE1 LYS 67 15.793 -9.246 -7.227 396 HZ1 LYS 67 HZ1 LYS 67 17.762 -8.237 -5.256 397 HZ2 LYS 67 HZ2 LYS 67 18.075 -8.604 -6.875 398 HZ3 LYS 67 HZ3 LYS 67 17.650 -9.835 -5.792 399 H ASN 68 HN ASN 68 11.714 -7.591 -8.162 400 HA ASN 68 HA ASN 68 12.167 -7.861 -10.968 401 HB2 ASN 68 HB2 ASN 68 12.269 -9.835 -9.541 402 HB3 ASN 68 HB1 ASN 68 10.613 -9.601 -8.998 403 HD21 ASN 68 HD21 ASN 68 8.916 -10.265 -10.325 404 HD22 ASN 68 HD22 ASN 68 9.154 -11.213 -11.748 405 H VAL 69 HN VAL 69 9.263 -7.366 -8.994 406 HA VAL 69 HA VAL 69 7.391 -7.460 -11.165 407 HB VAL 69 HB VAL 69 6.973 -6.323 -8.357 408 HG11 VAL 69 HG11 VAL 69 4.551 -6.789 -8.767 409 HG12 VAL 69 HG12 VAL 69 4.939 -7.264 -10.421 410 HG13 VAL 69 HG13 VAL 69 5.197 -5.598 -9.903 411 HG21 VAL 69 HG21 VAL 69 6.493 -9.158 -9.367 412 HG22 VAL 69 HG22 VAL 69 6.068 -8.552 -7.765 413 HG23 VAL 69 HG23 VAL 69 7.762 -8.658 -8.244 414 H ALA 70 HN ALA 70 9.231 -4.933 -9.598 415 HA ALA 70 HA ALA 70 7.750 -2.684 -10.554 416 HB1 ALA 70 HB1 ALA 70 9.089 -2.579 -8.497 417 HB2 ALA 70 HB2 ALA 70 9.572 -1.325 -9.641 418 HB3 ALA 70 HB3 ALA 70 10.571 -2.769 -9.438 419 H LYS 71 HN LYS 71 10.146 -4.691 -12.046 420 HA LYS 71 HA LYS 71 10.456 -2.735 -14.232 421 HB2 LYS 71 HB2 LYS 71 12.154 -4.325 -15.155 422 HB3 LYS 71 HB1 LYS 71 12.559 -3.655 -13.583 423 HG2 LYS 71 HG2 LYS 71 11.851 -5.795 -12.519 424 HG3 LYS 71 HG1 LYS 71 11.539 -6.460 -14.124 425 HD2 LYS 71 HD2 LYS 71 13.735 -7.189 -13.299 426 HD3 LYS 71 HD1 LYS 71 13.924 -6.160 -14.718 427 HE2 LYS 71 HE2 LYS 71 14.440 -4.234 -13.203 428 HE3 LYS 71 HE1 LYS 71 14.339 -5.325 -11.818 429 HZ1 LYS 71 HZ1 LYS 71 16.609 -4.998 -12.505 430 HZ2 LYS 71 HZ2 LYS 71 16.265 -5.526 -14.074 431 HZ3 LYS 71 HZ3 LYS 71 16.161 -6.605 -12.776 432 H THR 72 HN THR 72 9.252 -6.096 -13.678 433 HA THR 72 HA THR 72 8.667 -6.533 -16.464 434 HB THR 72 HB THR 72 9.286 -8.404 -14.886 435 HG1 THR 72 HG1 THR 72 6.875 -8.620 -16.394 436 HG21 THR 72 HG21 THR 72 7.556 -9.473 -13.492 437 HG22 THR 72 HG22 THR 72 6.406 -8.199 -13.907 438 HG23 THR 72 HG23 THR 72 7.835 -7.817 -12.947 439 H ALA 73 HN ALA 73 6.751 -5.570 -13.671 440 HA ALA 73 HA ALA 73 4.291 -5.387 -15.283 441 HB1 ALA 73 HB1 ALA 73 4.660 -5.136 -12.273 442 HB2 ALA 73 HB2 ALA 73 4.065 -6.560 -13.129 443 HB3 ALA 73 HB3 ALA 73 3.121 -5.070 -13.138 444 H ASN 74 HN ASN 74 3.475 -3.424 -15.847 445 HA ASN 74 HA ASN 74 5.216 -1.104 -15.552 446 HB2 ASN 74 HB2 ASN 74 3.885 -0.039 -17.285 447 HB3 ASN 74 HB1 ASN 74 4.265 -1.674 -17.804 448 HD21 ASN 74 HD21 ASN 74 2.076 0.175 -18.619 449 HD22 ASN 74 HD22 ASN 74 0.619 -0.721 -18.372 450 H LYS 75 HN LYS 75 3.921 1.095 -15.434 451 HA LYS 75 HA LYS 75 3.168 1.332 -12.717 452 HB2 LYS 75 HB2 LYS 75 4.262 3.065 -14.375 453 HB3 LYS 75 HB1 LYS 75 2.606 3.470 -14.792 454 HG2 LYS 75 HG2 LYS 75 3.336 5.048 -13.151 455 HG3 LYS 75 HG1 LYS 75 2.188 3.967 -12.350 456 HD2 LYS 75 HD2 LYS 75 3.963 2.757 -11.251 457 HD3 LYS 75 HD1 LYS 75 5.200 3.550 -12.227 458 HE2 LYS 75 HE2 LYS 75 3.498 4.816 -10.065 459 HE3 LYS 75 HE1 LYS 75 5.231 4.492 -10.003 460 HZ1 LYS 75 HZ1 LYS 75 5.452 6.061 -11.895 461 HZ2 LYS 75 HZ2 LYS 75 4.911 6.779 -10.464 462 HZ3 LYS 75 HZ3 LYS 75 3.820 6.454 -11.717 463 H ASP 76 HN ASP 76 1.301 1.295 -15.717 464 HA ASP 76 HA ASP 76 -1.206 2.153 -14.718 465 HB2 ASP 76 HB2 ASP 76 -0.644 2.219 -17.134 466 HB3 ASP 76 HB1 ASP 76 -0.561 0.460 -17.182 467 H HIS 77 HN HIS 77 0.224 -1.056 -15.125 468 HA HIS 77 HA HIS 77 -1.844 -2.767 -14.380 469 HB2 HIS 77 HB2 HIS 77 0.255 -3.615 -15.272 470 HB3 HIS 77 HB1 HIS 77 1.173 -2.907 -13.953 471 HD1 HIS 77 HD1 HIS 77 -0.693 -5.938 -14.938 472 HD2 HIS 77 HD2 HIS 77 1.015 -4.362 -11.500 473 HE1 HIS 77 HE1 HIS 77 -0.492 -7.857 -13.336 474 HE2 HIS 77 HE2 HIS 77 0.786 -6.915 -11.392 475 H LEU 78 HN LEU 78 0.449 -0.938 -12.401 476 HA LEU 78 HA LEU 78 -0.184 -2.082 -9.874 477 HB2 LEU 78 HB2 LEU 78 1.033 0.670 -10.330 478 HB3 LEU 78 HB1 LEU 78 1.215 -0.362 -8.914 479 HG LEU 78 HG LEU 78 2.408 -0.806 -11.674 480 HD11 LEU 78 HD11 LEU 78 3.755 -0.223 -9.027 481 HD12 LEU 78 HD12 LEU 78 3.550 0.897 -10.379 482 HD13 LEU 78 HD13 LEU 78 4.560 -0.532 -10.570 483 HD21 LEU 78 HD21 LEU 78 3.524 -2.803 -10.744 484 HD22 LEU 78 HD22 LEU 78 1.775 -2.978 -10.809 485 HD23 LEU 78 HD23 LEU 78 2.569 -2.650 -9.265 486 H VAL 79 HN VAL 79 -1.267 0.833 -11.568 487 HA VAL 79 HA VAL 79 -2.838 1.971 -9.490 488 HB VAL 79 HB VAL 79 -3.212 2.322 -12.505 489 HG11 VAL 79 HG11 VAL 79 -5.123 3.179 -11.195 490 HG12 VAL 79 HG12 VAL 79 -4.227 4.509 -11.926 491 HG13 VAL 79 HG13 VAL 79 -4.034 4.159 -10.206 492 HG21 VAL 79 HG21 VAL 79 -0.888 2.819 -11.912 493 HG22 VAL 79 HG22 VAL 79 -1.412 3.909 -10.634 494 HG23 VAL 79 HG23 VAL 79 -1.731 4.314 -12.323 495 H THR 80 HN THR 80 -3.632 -0.140 -12.244 496 HA THR 80 HA THR 80 -6.415 -0.361 -11.897 497 HB THR 80 HB THR 80 -4.532 -2.478 -13.055 498 HG1 THR 80 HG1 THR 80 -4.688 -0.109 -13.908 499 HG21 THR 80 HG21 THR 80 -6.838 -3.343 -12.694 500 HG22 THR 80 HG22 THR 80 -6.464 -3.190 -14.412 501 HG23 THR 80 HG23 THR 80 -7.485 -1.986 -13.624 502 H ALA 81 HN ALA 81 -3.750 -2.328 -10.575 503 HA ALA 81 HA ALA 81 -5.310 -4.275 -9.218 504 HB1 ALA 81 HB1 ALA 81 -3.203 -4.846 -8.066 505 HB2 ALA 81 HB2 ALA 81 -2.466 -3.358 -8.670 506 HB3 ALA 81 HB3 ALA 81 -2.940 -4.628 -9.797 507 H TYR 82 HN TYR 82 -3.876 -1.210 -8.274 508 HA TYR 82 HA TYR 82 -4.387 -1.125 -5.539 509 HB2 TYR 82 HB2 TYR 82 -2.931 0.526 -6.367 510 HB3 TYR 82 HB1 TYR 82 -3.969 0.932 -7.715 511 HD1 TYR 82 HD1 TYR 82 -5.897 2.468 -7.395 512 HD2 TYR 82 HD2 TYR 82 -3.132 1.720 -4.223 513 HE1 TYR 82 HE1 TYR 82 -6.638 4.519 -6.292 514 HE2 TYR 82 HE2 TYR 82 -3.900 3.771 -3.089 515 HH TYR 82 HH TYR 82 -4.939 5.963 -3.805 516 H ASN 83 HN ASN 83 -6.442 0.172 -8.214 517 HA ASN 83 HA ASN 83 -8.488 1.121 -6.465 518 HB2 ASN 83 HB2 ASN 83 -8.495 0.655 -9.476 519 HB3 ASN 83 HB1 ASN 83 -9.871 1.313 -8.618 520 HD21 ASN 83 HD21 ASN 83 -6.766 1.992 -9.930 521 HD22 ASN 83 HD22 ASN 83 -6.734 3.670 -9.549 522 H HIS 84 HN HIS 84 -8.131 -1.849 -8.362 523 HA HIS 84 HA HIS 84 -10.689 -2.979 -7.784 524 HB2 HIS 84 HB2 HIS 84 -8.094 -4.209 -8.793 525 HB3 HIS 84 HB1 HIS 84 -9.537 -5.181 -8.520 526 HD1 HIS 84 HD1 HIS 84 -8.657 -5.299 -11.279 527 HD2 HIS 84 HD2 HIS 84 -11.015 -2.145 -9.966 528 HE1 HIS 84 HE1 HIS 84 -9.778 -4.405 -13.341 529 HE2 HIS 84 HE2 HIS 84 -11.325 -2.606 -12.490 530 H LEU 85 HN LEU 85 -7.700 -2.837 -5.962 531 HA LEU 85 HA LEU 85 -8.048 -4.915 -4.106 532 HB2 LEU 85 HB2 LEU 85 -6.013 -3.486 -4.292 533 HB3 LEU 85 HB1 LEU 85 -6.906 -2.130 -3.686 534 HG LEU 85 HG LEU 85 -7.152 -3.231 -1.494 535 HD11 LEU 85 HD11 LEU 85 -5.866 -5.261 -0.959 536 HD12 LEU 85 HD12 LEU 85 -5.483 -5.455 -2.670 537 HD13 LEU 85 HD13 LEU 85 -7.157 -5.552 -2.121 538 HD21 LEU 85 HD21 LEU 85 -5.263 -1.715 -1.873 539 HD22 LEU 85 HD22 LEU 85 -4.267 -3.068 -2.421 540 HD23 LEU 85 HD23 LEU 85 -4.834 -3.004 -0.749 541 H PHE 86 HN PHE 86 -9.024 -1.515 -3.918 542 HA PHE 86 HA PHE 86 -10.411 -1.744 -1.413 543 HB2 PHE 86 HB2 PHE 86 -10.544 0.533 -3.428 544 HB3 PHE 86 HB1 PHE 86 -10.928 0.625 -1.710 545 HD1 PHE 86 HD2 PHE 86 -8.901 0.099 -0.046 546 HD2 PHE 86 HD1 PHE 86 -8.408 1.077 -4.159 547 HE1 PHE 86 HE2 PHE 86 -6.564 0.798 0.380 548 HE2 PHE 86 HE1 PHE 86 -6.111 1.740 -3.716 549 HZ PHE 86 HZ PHE 86 -5.172 1.601 -1.458 550 H GLU 87 HN GLU 87 -11.278 -1.920 -4.788 551 HA GLU 87 HA GLU 87 -14.041 -1.350 -4.654 552 HB2 GLU 87 HB2 GLU 87 -12.700 -1.239 -6.731 553 HB3 GLU 87 HB1 GLU 87 -12.485 -2.987 -6.709 554 HG2 GLU 87 HG2 GLU 87 -14.897 -3.297 -7.072 555 HG3 GLU 87 HG1 GLU 87 -15.144 -1.551 -7.018 556 H THR 88 HN THR 88 -12.282 -4.275 -3.951 557 HA THR 88 HA THR 88 -14.825 -5.713 -3.392 558 HB THR 88 HB THR 88 -13.381 -7.846 -3.824 559 HG1 THR 88 HG1 THR 88 -11.881 -6.147 -5.512 560 HG21 THR 88 HG21 THR 88 -14.076 -6.074 -6.195 561 HG22 THR 88 HG22 THR 88 -15.195 -7.159 -5.369 562 HG23 THR 88 HG23 THR 88 -13.817 -7.818 -6.257 563 H LYS 89 HN LYS 89 -12.189 -4.238 -2.031 564 HA LYS 89 HA LYS 89 -10.998 -4.309 -0.119 565 HB2 LYS 89 HB2 LYS 89 -13.470 -5.733 0.961 566 HB3 LYS 89 HB1 LYS 89 -12.210 -4.993 1.952 567 HG2 LYS 89 HG2 LYS 89 -12.760 -2.777 0.889 568 HG3 LYS 89 HG1 LYS 89 -14.108 -3.562 0.054 569 HD2 LYS 89 HD2 LYS 89 -15.095 -4.162 2.260 570 HD3 LYS 89 HD1 LYS 89 -13.763 -3.331 3.074 571 HE2 LYS 89 HE2 LYS 89 -14.464 -1.207 2.003 572 HE3 LYS 89 HE1 LYS 89 -15.816 -2.046 1.236 573 HZ1 LYS 89 HZ1 LYS 89 -15.374 -1.727 4.152 574 HZ2 LYS 89 HZ2 LYS 89 -16.647 -2.593 3.448 575 HZ3 LYS 89 HZ3 LYS 89 -16.531 -0.925 3.218 576 H ARG 90 HN ARG 90 -10.076 -6.067 -1.801 577 HA ARG 90 HA ARG 90 -9.736 -8.756 -0.929 578 HB2 ARG 90 HB2 ARG 90 -8.266 -6.978 -2.902 579 HB3 ARG 90 HB1 ARG 90 -7.682 -8.604 -2.561 580 HG2 ARG 90 HG2 ARG 90 -9.765 -9.572 -3.366 581 HG3 ARG 90 HG1 ARG 90 -10.450 -7.961 -3.616 582 HD2 ARG 90 HD2 ARG 90 -8.879 -7.473 -5.363 583 HD3 ARG 90 HD1 ARG 90 -7.926 -8.908 -5.003 584 HE ARG 90 HE ARG 90 -9.742 -10.264 -5.860 585 HH11 ARG 90 HH11 ARG 90 -9.941 -6.848 -6.692 586 HH12 ARG 90 HH12 ARG 90 -10.874 -7.135 -8.125 587 HH21 ARG 90 HH21 ARG 90 -10.927 -10.622 -7.756 588 HH22 ARG 90 HH22 ARG 90 -11.419 -9.278 -8.735 589 H PHE 91 HN PHE 91 -8.329 -5.865 0.238 590 HA PHE 91 HA PHE 91 -5.859 -6.903 1.195 591 HB2 PHE 91 HB2 PHE 91 -5.964 -4.890 2.815 592 HB3 PHE 91 HB1 PHE 91 -5.909 -4.553 1.095 593 HD1 PHE 91 HD2 PHE 91 -8.466 -4.966 3.860 594 HD2 PHE 91 HD1 PHE 91 -7.386 -2.965 0.239 595 HE1 PHE 91 HE2 PHE 91 -10.457 -3.535 4.050 596 HE2 PHE 91 HE1 PHE 91 -9.383 -1.543 0.441 597 HZ PHE 91 HZ PHE 91 -10.923 -1.824 2.345 598 H LYS 92 HN LYS 92 -5.336 -7.891 3.048 599 HA LYS 92 HA LYS 92 -7.352 -8.971 4.819 600 HB2 LYS 92 HB2 LYS 92 -5.386 -10.328 4.017 601 HB3 LYS 92 HB1 LYS 92 -4.305 -9.213 4.839 602 HG2 LYS 92 HG2 LYS 92 -5.653 -9.908 6.995 603 HG3 LYS 92 HG1 LYS 92 -6.149 -11.288 6.017 604 HD2 LYS 92 HD2 LYS 92 -4.251 -12.124 7.120 605 HD3 LYS 92 HD1 LYS 92 -3.577 -11.611 5.575 606 HE2 LYS 92 HE2 LYS 92 -3.406 -10.161 8.236 607 HE3 LYS 92 HE1 LYS 92 -2.083 -10.899 7.337 608 HZ1 LYS 92 HZ1 LYS 92 -2.019 -8.542 7.074 609 HZ2 LYS 92 HZ2 LYS 92 -3.632 -8.479 6.588 610 HZ3 LYS 92 HZ3 LYS 92 -2.481 -9.206 5.590 Start of MODEL 10 1 H MET 20 H MET 20 -13.544 -9.968 16.089 2 HA MET 20 HA MET 20 -11.998 -10.596 14.409 3 HB2 MET 20 HB2 MET 20 -13.302 -12.597 13.625 4 HB3 MET 20 HB1 MET 20 -14.437 -11.521 12.824 5 HG2 MET 20 HG2 MET 20 -12.652 -10.730 11.340 6 HG3 MET 20 HG1 MET 20 -11.489 -11.778 12.160 7 HE1 MET 20 HE1 MET 20 -11.753 -11.944 9.018 8 HE2 MET 20 HE2 MET 20 -11.829 -13.690 8.787 9 HE3 MET 20 HE3 MET 20 -10.719 -13.008 9.975 10 H ALA 21 HN ALA 21 -11.371 -8.695 13.603 11 HA ALA 21 HA ALA 21 -13.368 -6.795 12.514 12 HB1 ALA 21 HB1 ALA 21 -12.135 -4.955 13.587 13 HB2 ALA 21 HB2 ALA 21 -11.019 -6.109 14.324 14 HB3 ALA 21 HB3 ALA 21 -12.722 -6.101 14.796 15 H ALA 22 HN ALA 22 -12.520 -5.286 10.999 16 HA ALA 22 HA ALA 22 -9.919 -5.886 9.741 17 HB1 ALA 22 HB1 ALA 22 -11.623 -7.160 8.465 18 HB2 ALA 22 HB2 ALA 22 -10.956 -5.852 7.490 19 HB3 ALA 22 HB3 ALA 22 -12.560 -5.688 8.213 20 H ALA 23 HN ALA 23 -9.678 -4.134 7.891 21 HA ALA 23 HA ALA 23 -10.777 -1.523 8.425 22 HB1 ALA 23 HB1 ALA 23 -8.629 -0.432 8.995 23 HB2 ALA 23 HB2 ALA 23 -7.820 -2.002 9.018 24 HB3 ALA 23 HB3 ALA 23 -9.063 -1.634 10.213 25 H VAL 24 HN VAL 24 -10.739 -0.368 6.561 26 HA VAL 24 HA VAL 24 -9.434 -1.384 4.202 27 HB VAL 24 HB VAL 24 -10.345 0.643 3.041 28 HG11 VAL 24 HG11 VAL 24 -12.729 0.015 3.222 29 HG12 VAL 24 HG12 VAL 24 -12.390 -0.870 4.710 30 HG13 VAL 24 HG13 VAL 24 -11.694 -1.415 3.181 31 HG21 VAL 24 HG21 VAL 24 -10.247 2.272 4.903 32 HG22 VAL 24 HG22 VAL 24 -11.508 1.388 5.759 33 HG23 VAL 24 HG23 VAL 24 -11.879 2.196 4.234 34 HA PRO 25 HA PRO 25 -5.494 0.690 4.944 35 HB2 PRO 25 HB2 PRO 25 -5.021 0.401 2.003 36 HB3 PRO 25 HB1 PRO 25 -4.114 -0.284 3.355 37 HG2 PRO 25 HG2 PRO 25 -5.670 -1.821 1.780 38 HG3 PRO 25 HG1 PRO 25 -5.501 -2.149 3.522 39 HD2 PRO 25 HD2 PRO 25 -7.739 -0.734 2.061 40 HD3 PRO 25 HD1 PRO 25 -7.832 -1.959 3.346 41 H GLN 26 HN GLN 26 -5.664 2.804 5.293 42 HA GLN 26 HA GLN 26 -7.050 4.715 3.741 43 HB2 GLN 26 HB2 GLN 26 -4.791 5.203 5.735 44 HB3 GLN 26 HB1 GLN 26 -5.969 6.394 5.183 45 HG2 GLN 26 HG2 GLN 26 -6.521 3.936 6.877 46 HG3 GLN 26 HG1 GLN 26 -6.557 5.619 7.405 47 HE21 GLN 26 HE21 GLN 26 -8.639 3.493 7.411 48 HE22 GLN 26 HE22 GLN 26 -9.997 4.184 6.600 49 H ARG 27 HN ARG 27 -6.510 4.909 1.691 50 HA ARG 27 HA ARG 27 -4.099 3.975 0.653 51 HB2 ARG 27 HB2 ARG 27 -5.030 4.224 -1.481 52 HB3 ARG 27 HB1 ARG 27 -6.436 3.994 -0.454 53 HG2 ARG 27 HG2 ARG 27 -6.765 6.488 -0.479 54 HG3 ARG 27 HG1 ARG 27 -5.430 6.586 -1.637 55 HD2 ARG 27 HD2 ARG 27 -6.674 5.362 -3.299 56 HD3 ARG 27 HD1 ARG 27 -7.942 4.951 -2.137 57 HE ARG 27 HE ARG 27 -7.744 7.743 -2.272 58 HH11 ARG 27 HH11 ARG 27 -8.716 5.135 -4.435 59 HH12 ARG 27 HH12 ARG 27 -9.933 6.096 -5.209 60 HH21 ARG 27 HH21 ARG 27 -9.344 8.949 -3.284 61 HH22 ARG 27 HH22 ARG 27 -10.280 8.246 -4.559 62 H ALA 28 HN ALA 28 -2.310 4.945 -0.082 63 HA ALA 28 HA ALA 28 -1.605 7.325 1.354 64 HB1 ALA 28 HB1 ALA 28 0.057 5.540 -0.461 65 HB2 ALA 28 HB2 ALA 28 -0.146 5.346 1.282 66 HB3 ALA 28 HB3 ALA 28 0.686 6.762 0.646 67 H TRP 29 HN TRP 29 -2.633 6.752 -1.880 68 HA TRP 29 HA TRP 29 -1.611 9.323 -2.887 69 HB2 TRP 29 HB2 TRP 29 -1.311 6.724 -4.464 70 HB3 TRP 29 HB1 TRP 29 -0.695 8.315 -4.898 71 HD1 TRP 29 HD1 TRP 29 1.250 9.283 -2.951 72 HE1 TRP 29 HE1 TRP 29 3.180 7.913 -1.937 73 HE3 TRP 29 HE3 TRP 29 -0.506 4.574 -3.879 74 HZ2 TRP 29 HZ2 TRP 29 3.849 5.213 -1.569 75 HZ3 TRP 29 HZ3 TRP 29 0.840 2.647 -3.158 76 HH2 TRP 29 HH2 TRP 29 2.981 2.960 -2.023 77 H THR 30 HN THR 30 -2.815 10.219 -4.531 78 HA THR 30 HA THR 30 -5.459 9.101 -5.151 79 HB THR 30 HB THR 30 -5.764 11.294 -6.409 80 HG1 THR 30 HG1 THR 30 -4.099 12.925 -5.788 81 HG21 THR 30 HG21 THR 30 -5.983 12.718 -4.400 82 HG22 THR 30 HG22 THR 30 -5.005 11.582 -3.470 83 HG23 THR 30 HG23 THR 30 -6.586 11.083 -4.081 84 H VAL 31 HN VAL 31 -6.060 9.507 -7.606 85 HA VAL 31 HA VAL 31 -4.719 7.524 -9.054 86 HB VAL 31 HB VAL 31 -7.092 8.058 -9.387 87 HG11 VAL 31 HG11 VAL 31 -7.863 9.987 -10.706 88 HG12 VAL 31 HG12 VAL 31 -6.213 10.607 -10.783 89 HG13 VAL 31 HG13 VAL 31 -7.042 10.502 -9.230 90 HG21 VAL 31 HG21 VAL 31 -5.941 6.796 -11.158 91 HG22 VAL 31 HG22 VAL 31 -5.531 8.298 -11.986 92 HG23 VAL 31 HG23 VAL 31 -7.219 7.808 -11.834 93 H GLU 32 HN GLU 32 -4.351 11.043 -9.168 94 HA GLU 32 HA GLU 32 -2.620 11.195 -11.435 95 HB2 GLU 32 HB2 GLU 32 -2.143 13.513 -10.688 96 HB3 GLU 32 HB1 GLU 32 -3.869 13.170 -10.674 97 HG2 GLU 32 HG2 GLU 32 -3.806 12.874 -8.231 98 HG3 GLU 32 HG1 GLU 32 -2.070 13.194 -8.234 99 H GLN 33 HN GLN 33 -2.048 10.805 -7.950 100 HA GLN 33 HA GLN 33 0.809 10.964 -8.085 101 HB2 GLN 33 HB2 GLN 33 -1.089 9.879 -5.982 102 HB3 GLN 33 HB1 GLN 33 0.658 9.933 -5.755 103 HG2 GLN 33 HG2 GLN 33 -0.961 12.415 -6.393 104 HG3 GLN 33 HG1 GLN 33 -0.728 11.840 -4.744 105 HE21 GLN 33 HE21 GLN 33 0.348 13.800 -4.230 106 HE22 GLN 33 HE22 GLN 33 1.975 14.099 -4.730 107 H LEU 34 HN LEU 34 -1.537 8.415 -8.520 108 HA LEU 34 HA LEU 34 0.221 6.166 -8.252 109 HB2 LEU 34 HB2 LEU 34 -2.495 6.511 -9.544 110 HB3 LEU 34 HB1 LEU 34 -1.691 4.953 -9.405 111 HG LEU 34 HG LEU 34 -2.492 6.676 -7.039 112 HD11 LEU 34 HD11 LEU 34 -4.342 5.150 -6.719 113 HD12 LEU 34 HD12 LEU 34 -3.886 4.220 -8.148 114 HD13 LEU 34 HD13 LEU 34 -4.449 5.888 -8.315 115 HD21 LEU 34 HD21 LEU 34 -1.462 3.814 -7.147 116 HD22 LEU 34 HD22 LEU 34 -2.002 4.669 -5.700 117 HD23 LEU 34 HD23 LEU 34 -0.569 5.222 -6.558 118 H ARG 35 HN ARG 35 -0.946 8.066 -11.020 119 HA ARG 35 HA ARG 35 0.400 6.455 -13.013 120 HB2 ARG 35 HB2 ARG 35 -0.341 8.094 -14.619 121 HB3 ARG 35 HB1 ARG 35 -1.654 7.877 -13.467 122 HG2 ARG 35 HG2 ARG 35 -1.040 9.966 -12.333 123 HG3 ARG 35 HG1 ARG 35 0.320 10.189 -13.432 124 HD2 ARG 35 HD2 ARG 35 -1.381 10.279 -15.321 125 HD3 ARG 35 HD1 ARG 35 -2.641 10.326 -14.076 126 HE ARG 35 HE ARG 35 -0.459 12.333 -14.260 127 HH11 ARG 35 HH11 ARG 35 -3.857 11.646 -13.708 128 HH12 ARG 35 HH12 ARG 35 -4.257 13.303 -13.410 129 HH21 ARG 35 HH21 ARG 35 -1.002 14.476 -13.875 130 HH22 ARG 35 HH22 ARG 35 -2.644 14.905 -13.517 131 H SER 36 HN SER 36 1.310 8.981 -10.849 132 HA SER 36 HA SER 36 3.205 10.437 -12.291 133 HB2 SER 36 HB2 SER 36 2.313 11.249 -10.178 134 HB3 SER 36 HB1 SER 36 3.034 9.900 -9.306 135 HG SER 36 HG SER 36 4.371 12.054 -10.585 136 H GLU 37 HN GLU 37 4.877 9.629 -13.308 137 HA GLU 37 HA GLU 37 6.262 7.223 -12.837 138 HB2 GLU 37 HB2 GLU 37 7.895 8.153 -14.525 139 HB3 GLU 37 HB1 GLU 37 6.208 8.215 -15.030 140 HG2 GLU 37 HG2 GLU 37 6.144 10.629 -14.304 141 HG3 GLU 37 HG1 GLU 37 7.882 10.547 -14.016 142 H GLN 38 HN GLN 38 6.673 10.353 -11.422 143 HA GLN 38 HA GLN 38 9.365 10.173 -10.509 144 HB2 GLN 38 HB2 GLN 38 7.039 11.734 -9.286 145 HB3 GLN 38 HB1 GLN 38 8.752 12.041 -9.008 146 HG2 GLN 38 HG2 GLN 38 7.325 12.346 -11.666 147 HG3 GLN 38 HG1 GLN 38 7.712 13.664 -10.564 148 HE21 GLN 38 HE21 GLN 38 9.861 14.341 -10.372 149 HE22 GLN 38 HE22 GLN 38 11.063 13.913 -11.533 150 H LEU 39 HN LEU 39 6.264 9.065 -9.243 151 HA LEU 39 HA LEU 39 7.193 8.187 -6.675 152 HB2 LEU 39 HB2 LEU 39 4.758 8.718 -7.553 153 HB3 LEU 39 HB1 LEU 39 4.756 7.055 -8.098 154 HG LEU 39 HG LEU 39 5.099 7.941 -5.197 155 HD11 LEU 39 HD11 LEU 39 2.887 8.509 -6.023 156 HD12 LEU 39 HD12 LEU 39 2.811 7.210 -4.841 157 HD13 LEU 39 HD13 LEU 39 2.631 6.844 -6.557 158 HD21 LEU 39 HD21 LEU 39 6.114 5.729 -5.569 159 HD22 LEU 39 HD22 LEU 39 4.603 5.135 -6.257 160 HD23 LEU 39 HD23 LEU 39 4.676 5.617 -4.559 161 HA PRO 40 HA PRO 40 9.331 4.446 -8.240 162 HB2 PRO 40 HB2 PRO 40 8.873 3.526 -5.411 163 HB3 PRO 40 HB1 PRO 40 10.362 3.518 -6.365 164 HG2 PRO 40 HG2 PRO 40 10.002 5.349 -4.451 165 HG3 PRO 40 HG1 PRO 40 10.773 5.799 -5.989 166 HD2 PRO 40 HD2 PRO 40 7.953 6.314 -5.058 167 HD3 PRO 40 HD1 PRO 40 9.050 7.374 -5.971 168 H LYS 41 HN LYS 41 8.356 2.905 -9.366 169 HA LYS 41 HA LYS 41 5.667 2.104 -9.274 170 HB2 LYS 41 HB2 LYS 41 8.074 0.607 -10.395 171 HB3 LYS 41 HB1 LYS 41 6.391 0.287 -10.813 172 HG2 LYS 41 HG2 LYS 41 6.203 2.518 -11.816 173 HG3 LYS 41 HG1 LYS 41 7.868 2.885 -11.371 174 HD2 LYS 41 HD2 LYS 41 7.027 0.639 -13.244 175 HD3 LYS 41 HD1 LYS 41 7.545 2.239 -13.774 176 HE2 LYS 41 HE2 LYS 41 9.240 0.291 -12.178 177 HE3 LYS 41 HE1 LYS 41 9.371 0.589 -13.913 178 HZ1 LYS 41 HZ1 LYS 41 9.930 2.892 -13.436 179 HZ2 LYS 41 HZ2 LYS 41 11.025 1.839 -12.693 180 HZ3 LYS 41 HZ3 LYS 41 9.822 2.602 -11.779 181 H LYS 42 HN LYS 42 8.573 0.690 -7.881 182 HA LYS 42 HA LYS 42 7.538 -1.651 -6.731 183 HB2 LYS 42 HB2 LYS 42 9.574 -1.568 -5.271 184 HB3 LYS 42 HB1 LYS 42 9.941 -1.307 -6.974 185 HG2 LYS 42 HG2 LYS 42 10.099 1.127 -6.579 186 HG3 LYS 42 HG1 LYS 42 9.712 0.877 -4.875 187 HD2 LYS 42 HD2 LYS 42 12.112 1.202 -5.156 188 HD3 LYS 42 HD1 LYS 42 11.793 -0.441 -4.600 189 HE2 LYS 42 HE2 LYS 42 12.148 -1.303 -6.876 190 HE3 LYS 42 HE1 LYS 42 12.353 0.339 -7.493 191 HZ1 LYS 42 HZ1 LYS 42 14.464 -0.740 -7.161 192 HZ2 LYS 42 HZ2 LYS 42 14.114 -1.005 -5.528 193 HZ3 LYS 42 HZ3 LYS 42 14.305 0.571 -6.107 194 H ASP 43 HN ASP 43 7.490 1.691 -5.572 195 HA ASP 43 HA ASP 43 6.970 1.068 -2.827 196 HB2 ASP 43 HB2 ASP 43 8.030 3.209 -3.633 197 HB3 ASP 43 HB1 ASP 43 6.467 3.699 -4.283 198 H ILE 44 HN ILE 44 4.913 1.736 -5.652 199 HA ILE 44 HA ILE 44 2.407 1.839 -4.287 200 HB ILE 44 HB ILE 44 2.911 0.928 -7.157 201 HG12 ILE 44 HG12 ILE 44 2.260 3.722 -6.107 202 HG13 ILE 44 HG11 ILE 44 3.816 3.206 -6.748 203 HG21 ILE 44 HG21 ILE 44 0.661 0.278 -6.337 204 HG22 ILE 44 HG22 ILE 44 0.547 1.521 -7.586 205 HG23 ILE 44 HG23 ILE 44 0.338 1.953 -5.887 206 HD11 ILE 44 HD11 ILE 44 1.231 3.422 -8.299 207 HD12 ILE 44 HD12 ILE 44 2.771 2.847 -8.946 208 HD13 ILE 44 HD13 ILE 44 2.620 4.509 -8.385 209 H ILE 45 HN ILE 45 4.095 -0.778 -5.997 210 HA ILE 45 HA ILE 45 2.351 -2.925 -5.484 211 HB ILE 45 HB ILE 45 5.371 -2.914 -5.922 212 HG12 ILE 45 HG12 ILE 45 3.173 -3.398 -7.979 213 HG13 ILE 45 HG11 ILE 45 3.918 -1.827 -7.706 214 HG21 ILE 45 HG21 ILE 45 5.178 -5.259 -6.674 215 HG22 ILE 45 HG22 ILE 45 3.467 -5.269 -6.241 216 HG23 ILE 45 HG23 ILE 45 4.695 -5.084 -4.987 217 HD11 ILE 45 HD11 ILE 45 6.086 -2.741 -8.380 218 HD12 ILE 45 HD12 ILE 45 4.863 -2.918 -9.639 219 HD13 ILE 45 HD13 ILE 45 5.328 -4.310 -8.665 220 H LYS 46 HN LYS 46 4.902 -1.521 -3.540 221 HA LYS 46 HA LYS 46 5.315 -3.509 -1.578 222 HB2 LYS 46 HB2 LYS 46 6.755 -1.488 -2.011 223 HB3 LYS 46 HB1 LYS 46 5.508 -0.479 -1.286 224 HG2 LYS 46 HG2 LYS 46 5.852 -1.898 0.850 225 HG3 LYS 46 HG1 LYS 46 7.311 -2.509 0.065 226 HD2 LYS 46 HD2 LYS 46 6.684 0.374 0.804 227 HD3 LYS 46 HD1 LYS 46 7.911 -0.665 1.529 228 HE2 LYS 46 HE2 LYS 46 9.226 -0.623 -0.522 229 HE3 LYS 46 HE1 LYS 46 7.949 0.257 -1.366 230 HZ1 LYS 46 HZ1 LYS 46 9.396 1.309 0.998 231 HZ2 LYS 46 HZ2 LYS 46 8.288 2.137 0.024 232 HZ3 LYS 46 HZ3 LYS 46 9.784 1.676 -0.605 233 H PHE 47 HN PHE 47 3.102 -0.764 -1.760 234 HA PHE 47 HA PHE 47 1.836 -1.109 0.781 235 HB2 PHE 47 HB2 PHE 47 1.930 1.053 -0.511 236 HB3 PHE 47 HB1 PHE 47 0.863 0.355 -1.719 237 HD1 PHE 47 HD2 PHE 47 0.050 -0.473 1.739 238 HD2 PHE 47 HD1 PHE 47 -0.511 2.397 -1.347 239 HE1 PHE 47 HE2 PHE 47 -1.868 0.471 2.957 240 HE2 PHE 47 HE1 PHE 47 -2.420 3.331 -0.137 241 HZ PHE 47 HZ PHE 47 -3.106 2.377 2.017 242 H LEU 48 HN LEU 48 1.193 -2.214 -2.516 243 HA LEU 48 HA LEU 48 -1.405 -3.292 -2.086 244 HB2 LEU 48 HB2 LEU 48 0.652 -3.882 -4.250 245 HB3 LEU 48 HB1 LEU 48 -1.019 -4.433 -4.295 246 HG LEU 48 HG LEU 48 -0.095 -1.531 -4.335 247 HD11 LEU 48 HD11 LEU 48 -0.972 -1.471 -6.632 248 HD12 LEU 48 HD12 LEU 48 -1.361 -3.192 -6.547 249 HD13 LEU 48 HD13 LEU 48 0.321 -2.658 -6.472 250 HD21 LEU 48 HD21 LEU 48 -2.189 -1.772 -3.102 251 HD22 LEU 48 HD22 LEU 48 -2.918 -2.620 -4.470 252 HD23 LEU 48 HD23 LEU 48 -2.431 -0.930 -4.627 253 H GLN 49 HN GLN 49 1.833 -4.689 -1.737 254 HA GLN 49 HA GLN 49 0.753 -7.349 -1.211 255 HB2 GLN 49 HB2 GLN 49 3.042 -8.092 -0.929 256 HB3 GLN 49 HB1 GLN 49 2.914 -7.124 -2.395 257 HG2 GLN 49 HG2 GLN 49 3.949 -5.229 -1.274 258 HG3 GLN 49 HG1 GLN 49 3.982 -6.114 0.251 259 HE21 GLN 49 HE21 GLN 49 4.796 -7.436 -2.959 260 HE22 GLN 49 HE22 GLN 49 6.458 -7.716 -2.595 261 H GLU 50 HN GLU 50 1.729 -4.548 0.605 262 HA GLU 50 HA GLU 50 2.243 -5.680 3.123 263 HB2 GLU 50 HB2 GLU 50 2.780 -3.317 2.510 264 HB3 GLU 50 HB1 GLU 50 1.061 -2.934 2.511 265 HG2 GLU 50 HG2 GLU 50 0.969 -3.476 4.941 266 HG3 GLU 50 HG1 GLU 50 2.700 -3.803 4.918 267 H HIS 51 HN HIS 51 -0.763 -4.794 1.557 268 HA HIS 51 HA HIS 51 -2.318 -5.725 3.898 269 HB2 HIS 51 HB2 HIS 51 -3.111 -3.752 1.719 270 HB3 HIS 51 HB1 HIS 51 -4.197 -4.344 2.972 271 HD1 HIS 51 HD1 HIS 51 -4.209 -3.074 5.135 272 HD2 HIS 51 HD2 HIS 51 -0.908 -2.188 2.777 273 HE1 HIS 51 HE1 HIS 51 -3.037 -1.177 6.291 274 HE2 HIS 51 HE2 HIS 51 -0.941 -0.808 4.955 275 H GLY 52 HN GLY 52 -2.070 -5.785 0.348 276 HA2 GLY 52 HA2 GLY 52 -4.318 -7.290 -0.307 277 HA3 GLY 52 HA1 GLY 52 -2.851 -7.180 -1.264 278 H SER 53 HN SER 53 -4.843 -9.367 -0.257 279 HA SER 53 HA SER 53 -3.292 -11.277 1.190 280 HB2 SER 53 HB2 SER 53 -5.890 -11.592 -0.382 281 HB3 SER 53 HB1 SER 53 -5.252 -12.742 0.797 282 HG SER 53 HG SER 53 -5.340 -10.384 1.984 283 H ASP 54 HN ASP 54 -3.036 -13.528 0.363 284 HA ASP 54 HA ASP 54 -1.030 -13.621 -1.541 285 HB2 ASP 54 HB2 ASP 54 -1.240 -15.328 0.172 286 HB3 ASP 54 HB1 ASP 54 -2.802 -15.838 -0.453 287 H SER 55 HN SER 55 -4.481 -14.315 -1.962 288 HA SER 55 HA SER 55 -4.347 -15.385 -4.586 289 HB2 SER 55 HB2 SER 55 -6.281 -15.675 -3.001 290 HB3 SER 55 HB1 SER 55 -6.714 -13.988 -3.268 291 HG SER 55 HG SER 55 -7.690 -14.602 -5.008 292 H PHE 56 HN PHE 56 -4.793 -12.074 -3.357 293 HA PHE 56 HA PHE 56 -5.255 -10.753 -5.848 294 HB2 PHE 56 HB2 PHE 56 -5.876 -9.629 -3.786 295 HB3 PHE 56 HB1 PHE 56 -4.252 -9.780 -3.132 296 HD1 PHE 56 HD1 PHE 56 -6.000 -8.211 -6.090 297 HD2 PHE 56 HD2 PHE 56 -2.909 -7.840 -3.159 298 HE1 PHE 56 HE1 PHE 56 -5.501 -5.943 -6.896 299 HE2 PHE 56 HE2 PHE 56 -2.407 -5.577 -3.984 300 HZ PHE 56 HZ PHE 56 -3.702 -4.625 -5.849 301 H LEU 57 HN LEU 57 -2.345 -11.552 -3.973 302 HA LEU 57 HA LEU 57 -0.523 -9.970 -5.505 303 HB2 LEU 57 HB2 LEU 57 0.119 -12.332 -3.682 304 HB3 LEU 57 HB1 LEU 57 1.264 -11.135 -4.274 305 HG LEU 57 HG LEU 57 -0.960 -10.728 -2.257 306 HD11 LEU 57 HD11 LEU 57 0.826 -10.070 -0.741 307 HD12 LEU 57 HD12 LEU 57 2.032 -10.363 -1.999 308 HD13 LEU 57 HD13 LEU 57 1.071 -11.700 -1.357 309 HD21 LEU 57 HD21 LEU 57 0.737 -8.556 -3.520 310 HD22 LEU 57 HD22 LEU 57 -0.388 -8.353 -2.171 311 HD23 LEU 57 HD23 LEU 57 -0.997 -8.808 -3.754 312 H ALA 58 HN ALA 58 -1.143 -13.500 -5.395 313 HA ALA 58 HA ALA 58 0.797 -14.284 -7.282 314 HB1 ALA 58 HB1 ALA 58 -1.737 -15.753 -6.465 315 HB2 ALA 58 HB2 ALA 58 -0.189 -15.832 -5.622 316 HB3 ALA 58 HB3 ALA 58 -0.339 -16.476 -7.259 317 H GLU 59 HN GLU 59 -2.564 -13.257 -7.740 318 HA GLU 59 HA GLU 59 -3.040 -14.010 -10.373 319 HB2 GLU 59 HB2 GLU 59 -3.920 -11.596 -8.789 320 HB3 GLU 59 HB1 GLU 59 -4.338 -11.706 -10.493 321 HG2 GLU 59 HG2 GLU 59 -5.470 -13.881 -10.034 322 HG3 GLU 59 HG1 GLU 59 -5.138 -13.652 -8.317 323 H HIS 60 HN HIS 60 -1.245 -11.151 -9.230 324 HA HIS 60 HA HIS 60 -0.415 -10.571 -12.019 325 HB2 HIS 60 HB2 HIS 60 -1.859 -8.837 -10.790 326 HB3 HIS 60 HB1 HIS 60 -0.483 -8.565 -9.721 327 HD1 HIS 60 HD1 HIS 60 1.457 -7.168 -10.661 328 HD2 HIS 60 HD2 HIS 60 -1.465 -8.008 -13.481 329 HE1 HIS 60 HE1 HIS 60 2.030 -5.758 -12.654 330 HE2 HIS 60 HE2 HIS 60 0.382 -6.483 -14.414 331 H LYS 61 HN LYS 61 0.725 -12.114 -9.479 332 HA LYS 61 HA LYS 61 2.594 -12.406 -8.256 333 HB2 LYS 61 HB2 LYS 61 3.874 -11.780 -10.946 334 HB3 LYS 61 HB1 LYS 61 4.716 -12.532 -9.593 335 HG2 LYS 61 HG2 LYS 61 2.309 -13.698 -11.035 336 HG3 LYS 61 HG1 LYS 61 3.989 -14.198 -11.255 337 HD2 LYS 61 HD2 LYS 61 4.111 -15.044 -8.977 338 HD3 LYS 61 HD1 LYS 61 2.536 -14.353 -8.581 339 HE2 LYS 61 HE2 LYS 61 2.380 -16.783 -8.922 340 HE3 LYS 61 HE1 LYS 61 1.447 -15.915 -10.141 341 HZ1 LYS 61 HZ1 LYS 61 3.294 -16.220 -11.683 342 HZ2 LYS 61 HZ2 LYS 61 2.687 -17.697 -11.133 343 HZ3 LYS 61 HZ3 LYS 61 4.143 -17.096 -10.518 344 H LEU 62 HN LEU 62 1.699 -10.264 -7.327 345 HA LEU 62 HA LEU 62 3.568 -8.034 -7.347 346 HB2 LEU 62 HB2 LEU 62 1.094 -8.566 -5.652 347 HB3 LEU 62 HB1 LEU 62 2.032 -7.079 -5.588 348 HG LEU 62 HG LEU 62 0.522 -8.080 -8.039 349 HD11 LEU 62 HD11 LEU 62 -0.228 -5.850 -6.124 350 HD12 LEU 62 HD12 LEU 62 -1.031 -7.416 -6.280 351 HD13 LEU 62 HD13 LEU 62 -1.070 -6.276 -7.622 352 HD21 LEU 62 HD21 LEU 62 0.989 -5.864 -9.003 353 HD22 LEU 62 HD22 LEU 62 2.474 -6.745 -8.667 354 HD23 LEU 62 HD23 LEU 62 1.967 -5.440 -7.591 355 H LEU 63 HN LEU 63 3.182 -10.994 -5.725 356 HA LEU 63 HA LEU 63 4.690 -10.401 -3.346 357 HB2 LEU 63 HB2 LEU 63 4.745 -12.996 -3.194 358 HB3 LEU 63 HB1 LEU 63 3.214 -12.167 -3.018 359 HG LEU 63 HG LEU 63 2.686 -12.756 -5.434 360 HD11 LEU 63 HD11 LEU 63 5.113 -14.554 -5.250 361 HD12 LEU 63 HD12 LEU 63 4.898 -13.163 -6.319 362 HD13 LEU 63 HD13 LEU 63 3.886 -14.590 -6.523 363 HD21 LEU 63 HD21 LEU 63 3.089 -15.089 -3.529 364 HD22 LEU 63 HD22 LEU 63 2.026 -15.078 -4.942 365 HD23 LEU 63 HD23 LEU 63 1.698 -14.003 -3.588 366 H GLY 64 HN GLY 64 6.694 -11.794 -2.899 367 HA2 GLY 64 HA2 GLY 64 8.790 -12.629 -3.471 368 HA3 GLY 64 HA1 GLY 64 8.490 -12.239 -5.162 369 H ASN 65 HN ASN 65 10.464 -11.149 -5.474 370 HA ASN 65 HA ASN 65 11.346 -8.930 -3.854 371 HB2 ASN 65 HB2 ASN 65 12.126 -9.669 -6.722 372 HB3 ASN 65 HB1 ASN 65 12.954 -8.490 -5.705 373 HD21 ASN 65 HD21 ASN 65 12.401 -11.874 -6.296 374 HD22 ASN 65 HD22 ASN 65 13.653 -12.458 -5.259 375 H ILE 66 HN ILE 66 10.238 -7.087 -3.772 376 HA ILE 66 HA ILE 66 8.092 -6.315 -5.385 377 HB ILE 66 HB ILE 66 9.861 -4.287 -3.930 378 HG12 ILE 66 HG12 ILE 66 7.648 -5.934 -2.655 379 HG13 ILE 66 HG11 ILE 66 9.365 -6.224 -2.406 380 HG21 ILE 66 HG21 ILE 66 6.861 -4.322 -4.444 381 HG22 ILE 66 HG22 ILE 66 8.051 -3.353 -5.314 382 HG23 ILE 66 HG23 ILE 66 7.757 -3.051 -3.603 383 HD11 ILE 66 HD11 ILE 66 7.876 -3.711 -1.615 384 HD12 ILE 66 HD12 ILE 66 9.593 -4.023 -1.351 385 HD13 ILE 66 HD13 ILE 66 8.381 -5.010 -0.536 386 H LYS 67 HN LYS 67 11.501 -5.449 -5.554 387 HA LYS 67 HA LYS 67 11.522 -3.519 -7.591 388 HB2 LYS 67 HB2 LYS 67 13.949 -4.107 -7.803 389 HB3 LYS 67 HB1 LYS 67 13.437 -3.877 -6.135 390 HG2 LYS 67 HG2 LYS 67 13.367 -6.297 -5.767 391 HG3 LYS 67 HG1 LYS 67 13.762 -6.593 -7.464 392 HD2 LYS 67 HD2 LYS 67 15.977 -5.555 -7.143 393 HD3 LYS 67 HD1 LYS 67 15.581 -5.200 -5.456 394 HE2 LYS 67 HE2 LYS 67 15.445 -7.598 -4.957 395 HE3 LYS 67 HE1 LYS 67 15.727 -7.993 -6.656 396 HZ1 LYS 67 HZ1 LYS 67 17.744 -8.240 -5.463 397 HZ2 LYS 67 HZ2 LYS 67 17.626 -6.696 -4.788 398 HZ3 LYS 67 HZ3 LYS 67 17.904 -6.876 -6.448 399 H ASN 68 HN ASN 68 11.626 -7.054 -7.779 400 HA ASN 68 HA ASN 68 12.272 -7.219 -10.579 401 HB2 ASN 68 HB2 ASN 68 12.899 -9.005 -8.959 402 HB3 ASN 68 HB1 ASN 68 11.201 -9.344 -8.672 403 HD21 ASN 68 HD21 ASN 68 13.793 -9.528 -11.041 404 HD22 ASN 68 HD22 ASN 68 13.069 -10.761 -12.011 405 H VAL 69 HN VAL 69 9.359 -7.437 -8.612 406 HA VAL 69 HA VAL 69 7.427 -7.915 -10.619 407 HB VAL 69 HB VAL 69 7.112 -6.301 -8.032 408 HG11 VAL 69 HG11 VAL 69 4.989 -7.687 -9.727 409 HG12 VAL 69 HG12 VAL 69 5.239 -5.944 -9.606 410 HG13 VAL 69 HG13 VAL 69 4.707 -6.853 -8.192 411 HG21 VAL 69 HG21 VAL 69 6.666 -9.283 -8.482 412 HG22 VAL 69 HG22 VAL 69 6.350 -8.407 -6.980 413 HG23 VAL 69 HG23 VAL 69 8.003 -8.568 -7.580 414 H ALA 70 HN ALA 70 8.831 -4.958 -9.277 415 HA ALA 70 HA ALA 70 7.242 -3.044 -10.657 416 HB1 ALA 70 HB1 ALA 70 8.826 -1.408 -9.756 417 HB2 ALA 70 HB2 ALA 70 9.970 -2.697 -9.362 418 HB3 ALA 70 HB3 ALA 70 8.421 -2.604 -8.520 419 H LYS 71 HN LYS 71 9.991 -4.890 -11.620 420 HA LYS 71 HA LYS 71 10.887 -3.200 -13.772 421 HB2 LYS 71 HB2 LYS 71 12.421 -4.790 -12.754 422 HB3 LYS 71 HB1 LYS 71 11.345 -6.136 -13.111 423 HG2 LYS 71 HG2 LYS 71 11.748 -5.791 -15.544 424 HG3 LYS 71 HG1 LYS 71 12.851 -4.466 -15.158 425 HD2 LYS 71 HD2 LYS 71 14.096 -6.520 -15.634 426 HD3 LYS 71 HD1 LYS 71 14.330 -6.033 -13.957 427 HE2 LYS 71 HE2 LYS 71 14.036 -8.453 -14.103 428 HE3 LYS 71 HE1 LYS 71 12.665 -7.744 -13.252 429 HZ1 LYS 71 HZ1 LYS 71 11.994 -9.425 -14.857 430 HZ2 LYS 71 HZ2 LYS 71 12.688 -8.530 -16.112 431 HZ3 LYS 71 HZ3 LYS 71 11.370 -7.909 -15.263 432 H THR 72 HN THR 72 8.716 -5.975 -13.447 433 HA THR 72 HA THR 72 8.236 -6.102 -16.349 434 HB THR 72 HB THR 72 8.992 -8.161 -15.179 435 HG1 THR 72 HG1 THR 72 7.784 -8.518 -16.999 436 HG21 THR 72 HG21 THR 72 7.902 -7.818 -12.976 437 HG22 THR 72 HG22 THR 72 7.495 -9.391 -13.663 438 HG23 THR 72 HG23 THR 72 6.319 -8.076 -13.721 439 H ALA 73 HN ALA 73 6.717 -4.817 -13.590 440 HA ALA 73 HA ALA 73 3.949 -5.230 -14.461 441 HB1 ALA 73 HB1 ALA 73 3.331 -4.012 -12.403 442 HB2 ALA 73 HB2 ALA 73 5.032 -3.655 -12.084 443 HB3 ALA 73 HB3 ALA 73 4.458 -5.323 -12.045 444 H ASN 74 HN ASN 74 2.516 -3.344 -14.671 445 HA ASN 74 HA ASN 74 3.772 -1.175 -16.261 446 HB2 ASN 74 HB2 ASN 74 2.338 -2.760 -17.535 447 HB3 ASN 74 HB1 ASN 74 0.993 -2.429 -16.462 448 HD21 ASN 74 HD21 ASN 74 -0.302 -1.786 -18.146 449 HD22 ASN 74 HD22 ASN 74 -0.080 -0.287 -18.977 450 H LYS 75 HN LYS 75 3.364 0.924 -15.659 451 HA LYS 75 HA LYS 75 2.743 1.434 -12.968 452 HB2 LYS 75 HB2 LYS 75 4.252 2.812 -14.489 453 HB3 LYS 75 HB1 LYS 75 2.810 3.541 -15.172 454 HG2 LYS 75 HG2 LYS 75 3.816 5.033 -13.530 455 HG3 LYS 75 HG1 LYS 75 2.243 4.481 -12.939 456 HD2 LYS 75 HD2 LYS 75 3.186 3.134 -11.270 457 HD3 LYS 75 HD1 LYS 75 4.713 2.948 -12.130 458 HE2 LYS 75 HE2 LYS 75 5.042 4.307 -10.148 459 HE3 LYS 75 HE1 LYS 75 5.291 5.296 -11.587 460 HZ1 LYS 75 HZ1 LYS 75 3.125 6.241 -11.299 461 HZ2 LYS 75 HZ2 LYS 75 4.009 6.428 -9.873 462 HZ3 LYS 75 HZ3 LYS 75 2.804 5.242 -9.975 463 H ASP 76 HN ASP 76 0.753 1.864 -15.888 464 HA ASP 76 HA ASP 76 -1.353 3.297 -14.513 465 HB2 ASP 76 HB2 ASP 76 -2.646 3.143 -16.593 466 HB3 ASP 76 HB1 ASP 76 -1.025 3.748 -16.887 467 H HIS 77 HN HIS 77 -0.705 -0.059 -15.289 468 HA HIS 77 HA HIS 77 -3.261 -1.092 -14.469 469 HB2 HIS 77 HB2 HIS 77 -1.631 -2.346 -15.957 470 HB3 HIS 77 HB1 HIS 77 -0.600 -2.587 -14.551 471 HD1 HIS 77 HD1 HIS 77 -3.688 -3.803 -16.185 472 HD2 HIS 77 HD2 HIS 77 -1.646 -4.460 -12.627 473 HE1 HIS 77 HE1 HIS 77 -4.690 -5.882 -15.212 474 HE2 HIS 77 HE2 HIS 77 -3.569 -6.150 -12.977 475 H LEU 78 HN LEU 78 -0.253 -0.227 -12.824 476 HA LEU 78 HA LEU 78 -0.765 -1.427 -10.290 477 HB2 LEU 78 HB2 LEU 78 0.863 1.075 -10.903 478 HB3 LEU 78 HB1 LEU 78 0.861 0.237 -9.357 479 HG LEU 78 HG LEU 78 1.936 -0.820 -11.995 480 HD11 LEU 78 HD11 LEU 78 3.393 0.826 -10.946 481 HD12 LEU 78 HD12 LEU 78 4.114 -0.778 -10.900 482 HD13 LEU 78 HD13 LEU 78 3.392 -0.100 -9.439 483 HD21 LEU 78 HD21 LEU 78 0.887 -2.659 -10.763 484 HD22 LEU 78 HD22 LEU 78 1.825 -2.252 -9.322 485 HD23 LEU 78 HD23 LEU 78 2.640 -2.832 -10.778 486 H VAL 79 HN VAL 79 -1.725 1.610 -11.752 487 HA VAL 79 HA VAL 79 -3.043 2.892 -9.600 488 HB VAL 79 HB VAL 79 -3.901 2.965 -12.537 489 HG11 VAL 79 HG11 VAL 79 -5.548 3.981 -11.014 490 HG12 VAL 79 HG12 VAL 79 -4.793 5.217 -12.021 491 HG13 VAL 79 HG13 VAL 79 -4.303 5.028 -10.337 492 HG21 VAL 79 HG21 VAL 79 -1.788 4.692 -11.200 493 HG22 VAL 79 HG22 VAL 79 -2.410 4.924 -12.833 494 HG23 VAL 79 HG23 VAL 79 -1.502 3.465 -12.429 495 H THR 80 HN THR 80 -4.149 0.638 -12.074 496 HA THR 80 HA THR 80 -6.886 0.559 -11.437 497 HB THR 80 HB THR 80 -5.288 -1.625 -12.849 498 HG1 THR 80 HG1 THR 80 -5.258 -0.335 -14.591 499 HG21 THR 80 HG21 THR 80 -8.193 -0.756 -13.158 500 HG22 THR 80 HG22 THR 80 -7.656 -2.236 -12.361 501 HG23 THR 80 HG23 THR 80 -7.391 -2.019 -14.092 502 H ALA 81 HN ALA 81 -4.231 -1.669 -10.550 503 HA ALA 81 HA ALA 81 -5.813 -3.600 -9.188 504 HB1 ALA 81 HB1 ALA 81 -2.836 -2.998 -8.957 505 HB2 ALA 81 HB2 ALA 81 -3.577 -4.105 -10.116 506 HB3 ALA 81 HB3 ALA 81 -3.634 -4.466 -8.388 507 H TYR 82 HN TYR 82 -4.083 -0.707 -8.215 508 HA TYR 82 HA TYR 82 -4.133 -0.884 -5.422 509 HB2 TYR 82 HB2 TYR 82 -2.803 0.711 -6.747 510 HB3 TYR 82 HB1 TYR 82 -4.265 1.526 -7.267 511 HD1 TYR 82 HD2 TYR 82 -2.105 0.858 -4.282 512 HD2 TYR 82 HD1 TYR 82 -5.191 3.306 -5.940 513 HE1 TYR 82 HE2 TYR 82 -1.744 2.549 -2.556 514 HE2 TYR 82 HE1 TYR 82 -4.803 4.973 -4.180 515 HH TYR 82 HH TYR 82 -2.001 4.943 -2.312 516 H ASN 83 HN ASN 83 -6.363 0.768 -7.622 517 HA ASN 83 HA ASN 83 -8.227 1.541 -5.596 518 HB2 ASN 83 HB2 ASN 83 -8.432 1.520 -8.640 519 HB3 ASN 83 HB1 ASN 83 -9.664 2.207 -7.584 520 HD21 ASN 83 HD21 ASN 83 -7.760 3.404 -9.616 521 HD22 ASN 83 HD22 ASN 83 -7.010 4.715 -8.780 522 H HIS 84 HN HIS 84 -7.929 -1.252 -7.731 523 HA HIS 84 HA HIS 84 -10.504 -2.415 -7.209 524 HB2 HIS 84 HB2 HIS 84 -7.916 -3.574 -8.315 525 HB3 HIS 84 HB1 HIS 84 -9.323 -4.588 -8.017 526 HD1 HIS 84 HD1 HIS 84 -10.859 -1.671 -9.166 527 HD2 HIS 84 HD2 HIS 84 -8.579 -4.604 -11.022 528 HE1 HIS 84 HE1 HIS 84 -11.435 -1.515 -11.606 529 HE2 HIS 84 HE2 HIS 84 -10.116 -3.366 -12.687 530 H LEU 85 HN LEU 85 -7.433 -2.411 -5.495 531 HA LEU 85 HA LEU 85 -7.687 -4.749 -3.941 532 HB2 LEU 85 HB2 LEU 85 -5.569 -3.501 -4.076 533 HB3 LEU 85 HB1 LEU 85 -6.297 -2.100 -3.330 534 HG LEU 85 HG LEU 85 -6.519 -3.319 -1.192 535 HD11 LEU 85 HD11 LEU 85 -5.187 -5.623 -2.607 536 HD12 LEU 85 HD12 LEU 85 -6.857 -5.545 -2.035 537 HD13 LEU 85 HD13 LEU 85 -5.532 -5.519 -0.876 538 HD21 LEU 85 HD21 LEU 85 -3.684 -3.480 -2.263 539 HD22 LEU 85 HD22 LEU 85 -4.163 -3.462 -0.561 540 HD23 LEU 85 HD23 LEU 85 -4.453 -2.047 -1.570 541 H PHE 86 HN PHE 86 -8.516 -1.407 -3.271 542 HA PHE 86 HA PHE 86 -9.655 -1.890 -0.683 543 HB2 PHE 86 HB2 PHE 86 -9.969 0.655 -2.283 544 HB3 PHE 86 HB1 PHE 86 -9.894 0.471 -0.532 545 HD1 PHE 86 HD1 PHE 86 -7.414 -0.979 0.034 546 HD2 PHE 86 HD2 PHE 86 -8.163 1.851 -3.049 547 HE1 PHE 86 HE1 PHE 86 -5.000 -0.414 -0.080 548 HE2 PHE 86 HE2 PHE 86 -5.795 2.405 -3.126 549 HZ PHE 86 HZ PHE 86 -4.210 1.273 -1.647 550 H GLU 87 HN GLU 87 -10.860 -1.645 -3.949 551 HA GLU 87 HA GLU 87 -13.560 -0.883 -3.414 552 HB2 GLU 87 HB2 GLU 87 -12.394 -0.503 -5.599 553 HB3 GLU 87 HB1 GLU 87 -12.406 -2.235 -5.891 554 HG2 GLU 87 HG2 GLU 87 -14.155 -1.241 -7.194 555 HG3 GLU 87 HG1 GLU 87 -14.909 -2.169 -5.900 556 H THR 88 HN THR 88 -11.983 -4.030 -3.939 557 HA THR 88 HA THR 88 -14.536 -5.442 -3.390 558 HB THR 88 HB THR 88 -13.379 -7.430 -4.482 559 HG1 THR 88 HG1 THR 88 -11.544 -5.581 -5.566 560 HG21 THR 88 HG21 THR 88 -14.970 -6.065 -5.782 561 HG22 THR 88 HG22 THR 88 -13.635 -6.608 -6.800 562 HG23 THR 88 HG23 THR 88 -13.667 -4.943 -6.212 563 H LYS 89 HN LYS 89 -11.921 -4.422 -1.769 564 HA LYS 89 HA LYS 89 -10.841 -4.911 0.129 565 HB2 LYS 89 HB2 LYS 89 -13.250 -6.689 0.611 566 HB3 LYS 89 HB1 LYS 89 -12.027 -6.343 1.831 567 HG2 LYS 89 HG2 LYS 89 -12.587 -3.887 1.583 568 HG3 LYS 89 HG1 LYS 89 -13.929 -4.360 0.535 569 HD2 LYS 89 HD2 LYS 89 -14.714 -3.976 2.834 570 HD3 LYS 89 HD1 LYS 89 -14.915 -5.675 2.393 571 HE2 LYS 89 HE2 LYS 89 -12.769 -6.182 3.612 572 HE3 LYS 89 HE1 LYS 89 -12.701 -4.496 4.124 573 HZ1 LYS 89 HZ1 LYS 89 -14.758 -4.806 5.311 574 HZ2 LYS 89 HZ2 LYS 89 -13.618 -5.942 5.813 575 HZ3 LYS 89 HZ3 LYS 89 -14.871 -6.404 4.782 576 H ARG 90 HN ARG 90 -9.810 -6.176 -1.997 577 HA ARG 90 HA ARG 90 -9.292 -8.955 -1.706 578 HB2 ARG 90 HB2 ARG 90 -8.023 -6.709 -3.297 579 HB3 ARG 90 HB1 ARG 90 -7.323 -8.328 -3.318 580 HG2 ARG 90 HG2 ARG 90 -9.366 -9.275 -4.187 581 HG3 ARG 90 HG1 ARG 90 -10.200 -7.726 -4.041 582 HD2 ARG 90 HD2 ARG 90 -9.103 -6.804 -5.873 583 HD3 ARG 90 HD1 ARG 90 -7.717 -7.889 -5.730 584 HE ARG 90 HE ARG 90 -10.379 -8.849 -6.598 585 HH11 ARG 90 HH11 ARG 90 -6.940 -8.513 -7.235 586 HH12 ARG 90 HH12 ARG 90 -6.907 -9.806 -8.386 587 HH21 ARG 90 HH21 ARG 90 -10.307 -10.556 -8.132 588 HH22 ARG 90 HH22 ARG 90 -8.794 -10.970 -8.876 589 H PHE 91 HN PHE 91 -8.151 -6.383 0.091 590 HA PHE 91 HA PHE 91 -5.671 -7.514 0.993 591 HB2 PHE 91 HB2 PHE 91 -5.840 -5.735 2.787 592 HB3 PHE 91 HB1 PHE 91 -5.881 -5.130 1.141 593 HD1 PHE 91 HD2 PHE 91 -7.905 -5.673 4.196 594 HD2 PHE 91 HD1 PHE 91 -7.827 -4.007 0.260 595 HE1 PHE 91 HE2 PHE 91 -9.974 -4.436 4.673 596 HE2 PHE 91 HE1 PHE 91 -9.881 -2.775 0.757 597 HZ PHE 91 HZ PHE 91 -10.964 -2.988 2.954 598 H LYS 92 HN LYS 92 -5.283 -8.112 3.223 599 HA LYS 92 HA LYS 92 -7.104 -10.129 4.183 600 HB2 LYS 92 HB2 LYS 92 -4.624 -10.425 4.167 601 HB3 LYS 92 HB1 LYS 92 -4.458 -9.107 5.319 602 HG2 LYS 92 HG2 LYS 92 -5.730 -10.448 6.994 603 HG3 LYS 92 HG1 LYS 92 -5.802 -11.785 5.842 604 HD2 LYS 92 HD2 LYS 92 -3.314 -11.904 5.844 605 HD3 LYS 92 HD1 LYS 92 -3.257 -10.566 6.997 606 HE2 LYS 92 HE2 LYS 92 -4.528 -13.286 7.526 607 HE3 LYS 92 HE1 LYS 92 -2.956 -12.748 8.121 608 HZ1 LYS 92 HZ1 LYS 92 -4.091 -10.968 9.340 609 HZ2 LYS 92 HZ2 LYS 92 -4.629 -12.495 9.821 610 HZ3 LYS 92 HZ3 LYS 92 -5.588 -11.549 8.804 Start of MODEL 11 1 H MET 20 H MET 20 -8.119 -8.558 17.975 2 HA MET 20 HA MET 20 -6.879 -8.370 15.990 3 HB2 MET 20 HB2 MET 20 -7.743 -9.147 13.819 4 HB3 MET 20 HB1 MET 20 -7.605 -10.493 14.943 5 HG2 MET 20 HG2 MET 20 -10.031 -10.428 15.332 6 HG3 MET 20 HG1 MET 20 -10.177 -9.053 14.236 7 HE1 MET 20 HE1 MET 20 -11.818 -12.038 12.209 8 HE2 MET 20 HE2 MET 20 -12.088 -10.427 12.880 9 HE3 MET 20 HE3 MET 20 -11.888 -11.813 13.958 10 H ALA 21 HN ALA 21 -7.167 -6.635 14.475 11 HA ALA 21 HA ALA 21 -9.765 -5.185 14.567 12 HB1 ALA 21 HB1 ALA 21 -8.500 -3.053 14.472 13 HB2 ALA 21 HB2 ALA 21 -6.978 -3.946 14.592 14 HB3 ALA 21 HB3 ALA 21 -8.120 -3.957 15.937 15 H ALA 22 HN ALA 22 -10.448 -4.414 12.558 16 HA ALA 22 HA ALA 22 -9.225 -5.518 10.182 17 HB1 ALA 22 HB1 ALA 22 -11.686 -5.388 10.394 18 HB2 ALA 22 HB2 ALA 22 -11.116 -4.486 8.992 19 HB3 ALA 22 HB3 ALA 22 -11.591 -3.622 10.453 20 H ALA 23 HN ALA 23 -7.161 -4.496 10.377 21 HA ALA 23 HA ALA 23 -6.878 -1.620 10.129 22 HB1 ALA 23 HB1 ALA 23 -4.446 -2.082 10.106 23 HB2 ALA 23 HB2 ALA 23 -4.770 -3.814 9.985 24 HB3 ALA 23 HB3 ALA 23 -5.236 -2.931 11.437 25 H VAL 24 HN VAL 24 -8.178 -1.447 8.216 26 HA VAL 24 HA VAL 24 -7.502 -2.735 5.742 27 HB VAL 24 HB VAL 24 -9.306 -1.377 4.751 28 HG11 VAL 24 HG11 VAL 24 -11.199 -2.160 6.153 29 HG12 VAL 24 HG12 VAL 24 -10.078 -2.477 7.483 30 HG13 VAL 24 HG13 VAL 24 -9.947 -3.392 5.980 31 HG21 VAL 24 HG21 VAL 24 -10.580 0.308 6.053 32 HG22 VAL 24 HG22 VAL 24 -8.892 0.792 5.881 33 HG23 VAL 24 HG23 VAL 24 -9.463 0.119 7.409 34 HA PRO 25 HA PRO 25 -4.266 -0.178 4.348 35 HB2 PRO 25 HB2 PRO 25 -5.190 -0.138 1.540 36 HB3 PRO 25 HB1 PRO 25 -3.808 -0.970 2.250 37 HG2 PRO 25 HG2 PRO 25 -6.023 -2.284 1.362 38 HG3 PRO 25 HG1 PRO 25 -5.025 -2.887 2.697 39 HD2 PRO 25 HD2 PRO 25 -7.652 -1.418 2.807 40 HD3 PRO 25 HD1 PRO 25 -7.084 -2.796 3.781 41 H GLN 26 HN GLN 26 -4.557 1.794 5.209 42 HA GLN 26 HA GLN 26 -6.218 3.885 4.136 43 HB2 GLN 26 HB2 GLN 26 -3.716 4.203 5.871 44 HB3 GLN 26 HB1 GLN 26 -5.051 5.338 5.709 45 HG2 GLN 26 HG2 GLN 26 -5.188 2.612 7.049 46 HG3 GLN 26 HG1 GLN 26 -5.080 4.172 7.867 47 HE21 GLN 26 HE21 GLN 26 -7.150 2.084 5.945 48 HE22 GLN 26 HE22 GLN 26 -8.636 2.865 6.344 49 H ARG 27 HN ARG 27 -5.833 4.444 2.061 50 HA ARG 27 HA ARG 27 -3.543 3.918 0.584 51 HB2 ARG 27 HB2 ARG 27 -4.483 5.362 -1.167 52 HB3 ARG 27 HB1 ARG 27 -5.727 4.334 -0.464 53 HG2 ARG 27 HG2 ARG 27 -6.591 6.198 0.846 54 HG3 ARG 27 HG1 ARG 27 -5.287 7.240 0.288 55 HD2 ARG 27 HD2 ARG 27 -7.380 7.707 -0.894 56 HD3 ARG 27 HD1 ARG 27 -6.140 7.135 -1.998 57 HE ARG 27 HE ARG 27 -7.426 5.318 -2.487 58 HH11 ARG 27 HH11 ARG 27 -8.716 6.696 0.479 59 HH12 ARG 27 HH12 ARG 27 -10.132 5.704 0.458 60 HH21 ARG 27 HH21 ARG 27 -9.298 4.037 -2.500 61 HH22 ARG 27 HH22 ARG 27 -10.467 4.205 -1.231 62 H ALA 28 HN ALA 28 -1.792 5.134 -0.089 63 HA ALA 28 HA ALA 28 -0.965 7.293 1.741 64 HB1 ALA 28 HB1 ALA 28 0.517 5.333 1.568 65 HB2 ALA 28 HB2 ALA 28 1.323 6.789 0.988 66 HB3 ALA 28 HB3 ALA 28 0.693 5.607 -0.164 67 H TRP 29 HN TRP 29 -2.121 6.845 -1.423 68 HA TRP 29 HA TRP 29 -1.320 9.526 -2.322 69 HB2 TRP 29 HB2 TRP 29 -0.958 7.063 -4.099 70 HB3 TRP 29 HB1 TRP 29 -0.579 8.729 -4.524 71 HD1 TRP 29 HD1 TRP 29 1.620 9.834 -3.167 72 HE1 TRP 29 HE1 TRP 29 3.767 8.657 -2.372 73 HE3 TRP 29 HE3 TRP 29 -0.017 4.978 -3.190 74 HZ2 TRP 29 HZ2 TRP 29 4.651 6.042 -1.824 75 HZ3 TRP 29 HZ3 TRP 29 1.542 3.193 -2.516 76 HH2 TRP 29 HH2 TRP 29 3.831 3.726 -1.844 77 H THR 30 HN THR 30 -2.677 10.344 -3.989 78 HA THR 30 HA THR 30 -5.322 9.170 -4.296 79 HB THR 30 HB THR 30 -4.157 11.589 -5.769 80 HG1 THR 30 HG1 THR 30 -5.566 11.558 -3.281 81 HG21 THR 30 HG21 THR 30 -6.322 10.752 -6.673 82 HG22 THR 30 HG22 THR 30 -6.509 12.339 -5.918 83 HG23 THR 30 HG23 THR 30 -7.045 10.881 -5.074 84 H VAL 31 HN VAL 31 -6.153 8.748 -6.547 85 HA VAL 31 HA VAL 31 -4.709 6.831 -7.944 86 HB VAL 31 HB VAL 31 -7.116 6.917 -8.127 87 HG11 VAL 31 HG11 VAL 31 -7.502 9.328 -7.971 88 HG12 VAL 31 HG12 VAL 31 -8.348 8.662 -9.369 89 HG13 VAL 31 HG13 VAL 31 -6.849 9.563 -9.597 90 HG21 VAL 31 HG21 VAL 31 -5.968 5.851 -10.032 91 HG22 VAL 31 HG22 VAL 31 -5.920 7.391 -10.889 92 HG23 VAL 31 HG23 VAL 31 -7.470 6.613 -10.559 93 H GLU 32 HN GLU 32 -4.988 10.276 -8.604 94 HA GLU 32 HA GLU 32 -3.536 10.445 -11.031 95 HB2 GLU 32 HB2 GLU 32 -3.399 12.892 -10.502 96 HB3 GLU 32 HB1 GLU 32 -5.027 12.248 -10.352 97 HG2 GLU 32 HG2 GLU 32 -4.720 12.123 -7.888 98 HG3 GLU 32 HG1 GLU 32 -3.128 12.846 -8.068 99 H GLN 33 HN GLN 33 -2.539 10.781 -7.617 100 HA GLN 33 HA GLN 33 0.145 11.572 -8.057 101 HB2 GLN 33 HB2 GLN 33 -1.146 10.226 -5.659 102 HB3 GLN 33 HB1 GLN 33 0.509 10.834 -5.665 103 HG2 GLN 33 HG2 GLN 33 -0.415 13.114 -6.191 104 HG3 GLN 33 HG1 GLN 33 -2.035 12.457 -5.948 105 HE21 GLN 33 HE21 GLN 33 -2.732 12.049 -3.827 106 HE22 GLN 33 HE22 GLN 33 -1.822 12.506 -2.436 107 H LEU 34 HN LEU 34 -1.412 8.459 -7.852 108 HA LEU 34 HA LEU 34 0.880 6.782 -7.755 109 HB2 LEU 34 HB2 LEU 34 -1.904 6.315 -8.846 110 HB3 LEU 34 HB1 LEU 34 -0.696 5.047 -8.689 111 HG LEU 34 HG LEU 34 -1.659 6.642 -6.293 112 HD11 LEU 34 HD11 LEU 34 -3.580 5.586 -7.350 113 HD12 LEU 34 HD12 LEU 34 -3.184 4.809 -5.823 114 HD13 LEU 34 HD13 LEU 34 -2.752 4.027 -7.346 115 HD21 LEU 34 HD21 LEU 34 0.489 5.439 -6.030 116 HD22 LEU 34 HD22 LEU 34 -0.295 3.928 -6.506 117 HD23 LEU 34 HD23 LEU 34 -0.777 4.747 -5.017 118 H ARG 35 HN ARG 35 -1.167 7.908 -10.425 119 HA ARG 35 HA ARG 35 0.249 6.615 -12.542 120 HB2 ARG 35 HB2 ARG 35 -1.808 8.869 -12.532 121 HB3 ARG 35 HB1 ARG 35 -1.177 8.139 -14.012 122 HG2 ARG 35 HG2 ARG 35 -2.071 5.941 -13.291 123 HG3 ARG 35 HG1 ARG 35 -2.720 6.692 -11.832 124 HD2 ARG 35 HD2 ARG 35 -4.451 6.373 -13.553 125 HD3 ARG 35 HD1 ARG 35 -4.213 8.083 -13.182 126 HE ARG 35 HE ARG 35 -2.626 7.855 -15.285 127 HH11 ARG 35 HH11 ARG 35 -5.876 6.564 -14.923 128 HH12 ARG 35 HH12 ARG 35 -6.226 6.672 -16.616 129 HH21 ARG 35 HH21 ARG 35 -3.099 7.979 -17.467 130 HH22 ARG 35 HH22 ARG 35 -4.664 7.511 -18.054 131 H SER 36 HN SER 36 0.780 9.548 -10.799 132 HA SER 36 HA SER 36 2.200 11.088 -12.672 133 HB2 SER 36 HB2 SER 36 1.491 12.003 -10.502 134 HB3 SER 36 HB1 SER 36 2.593 10.919 -9.658 135 HG SER 36 HG SER 36 3.467 12.819 -11.586 136 H GLU 37 HN GLU 37 4.069 10.783 -13.617 137 HA GLU 37 HA GLU 37 5.553 8.445 -13.599 138 HB2 GLU 37 HB2 GLU 37 7.122 9.579 -15.083 139 HB3 GLU 37 HB1 GLU 37 5.477 10.027 -15.496 140 HG2 GLU 37 HG2 GLU 37 7.400 11.775 -13.905 141 HG3 GLU 37 HG1 GLU 37 7.116 11.905 -15.640 142 H GLN 38 HN GLN 38 5.971 11.303 -11.630 143 HA GLN 38 HA GLN 38 8.688 11.016 -10.878 144 HB2 GLN 38 HB2 GLN 38 6.408 12.433 -9.426 145 HB3 GLN 38 HB1 GLN 38 8.114 12.590 -9.001 146 HG2 GLN 38 HG2 GLN 38 8.554 13.501 -11.279 147 HG3 GLN 38 HG1 GLN 38 6.821 13.446 -11.605 148 HE21 GLN 38 HE21 GLN 38 8.661 15.757 -11.522 149 HE22 GLN 38 HE22 GLN 38 7.984 16.846 -10.365 150 H LEU 39 HN LEU 39 5.736 9.616 -9.528 151 HA LEU 39 HA LEU 39 6.844 8.707 -7.044 152 HB2 LEU 39 HB2 LEU 39 4.316 8.981 -7.899 153 HB3 LEU 39 HB1 LEU 39 4.508 7.310 -8.380 154 HG LEU 39 HG LEU 39 4.588 8.446 -5.553 155 HD11 LEU 39 HD11 LEU 39 2.664 6.500 -6.854 156 HD12 LEU 39 HD12 LEU 39 2.359 8.193 -6.453 157 HD13 LEU 39 HD13 LEU 39 2.630 7.029 -5.166 158 HD21 LEU 39 HD21 LEU 39 6.262 6.675 -5.594 159 HD22 LEU 39 HD22 LEU 39 5.116 5.552 -6.318 160 HD23 LEU 39 HD23 LEU 39 4.849 6.153 -4.681 161 HA PRO 40 HA PRO 40 9.127 5.146 -8.940 162 HB2 PRO 40 HB2 PRO 40 9.865 3.941 -6.551 163 HB3 PRO 40 HB1 PRO 40 10.753 5.274 -7.299 164 HG2 PRO 40 HG2 PRO 40 8.694 5.369 -5.096 165 HG3 PRO 40 HG1 PRO 40 10.254 6.211 -5.201 166 HD2 PRO 40 HD2 PRO 40 7.946 7.490 -5.764 167 HD3 PRO 40 HD1 PRO 40 9.425 7.827 -6.703 168 H LYS 41 HN LYS 41 8.168 3.367 -9.706 169 HA LYS 41 HA LYS 41 5.641 2.379 -9.028 170 HB2 LYS 41 HB2 LYS 41 7.939 0.976 -10.452 171 HB3 LYS 41 HB1 LYS 41 6.301 0.337 -10.381 172 HG2 LYS 41 HG2 LYS 41 5.480 2.316 -11.617 173 HG3 LYS 41 HG1 LYS 41 7.131 2.937 -11.698 174 HD2 LYS 41 HD2 LYS 41 6.122 0.346 -12.941 175 HD3 LYS 41 HD1 LYS 41 6.509 1.834 -13.804 176 HE2 LYS 41 HE2 LYS 41 8.482 0.101 -12.274 177 HE3 LYS 41 HE1 LYS 41 8.320 0.189 -14.028 178 HZ1 LYS 41 HZ1 LYS 41 10.160 1.531 -13.264 179 HZ2 LYS 41 HZ2 LYS 41 9.149 2.417 -12.241 180 HZ3 LYS 41 HZ3 LYS 41 8.963 2.527 -13.915 181 H LYS 42 HN LYS 42 8.836 1.401 -7.918 182 HA LYS 42 HA LYS 42 8.290 -1.076 -6.736 183 HB2 LYS 42 HB2 LYS 42 10.408 -0.779 -5.550 184 HB3 LYS 42 HB1 LYS 42 10.566 -0.181 -7.199 185 HG2 LYS 42 HG2 LYS 42 10.363 2.148 -6.392 186 HG3 LYS 42 HG1 LYS 42 10.144 1.567 -4.740 187 HD2 LYS 42 HD2 LYS 42 12.433 2.308 -4.987 188 HD3 LYS 42 HD1 LYS 42 12.438 0.549 -4.843 189 HE2 LYS 42 HE2 LYS 42 12.639 0.385 -7.327 190 HE3 LYS 42 HE1 LYS 42 12.719 2.144 -7.415 191 HZ1 LYS 42 HZ1 LYS 42 14.907 1.298 -7.490 192 HZ2 LYS 42 HZ2 LYS 42 14.660 0.318 -6.140 193 HZ3 LYS 42 HZ3 LYS 42 14.711 1.993 -5.960 194 H ASP 43 HN ASP 43 7.842 2.183 -5.540 195 HA ASP 43 HA ASP 43 7.503 1.517 -2.777 196 HB2 ASP 43 HB2 ASP 43 8.182 3.833 -3.933 197 HB3 ASP 43 HB1 ASP 43 6.445 4.104 -3.946 198 H ILE 44 HN ILE 44 5.383 2.038 -5.536 199 HA ILE 44 HA ILE 44 2.885 1.947 -4.160 200 HB ILE 44 HB ILE 44 3.387 1.207 -7.084 201 HG12 ILE 44 HG12 ILE 44 2.769 3.977 -5.952 202 HG13 ILE 44 HG11 ILE 44 4.352 3.460 -6.525 203 HG21 ILE 44 HG21 ILE 44 1.037 1.896 -7.434 204 HG22 ILE 44 HG22 ILE 44 0.863 2.210 -5.708 205 HG23 ILE 44 HG23 ILE 44 1.155 0.567 -6.279 206 HD11 ILE 44 HD11 ILE 44 3.406 3.174 -8.793 207 HD12 ILE 44 HD12 ILE 44 3.252 4.825 -8.188 208 HD13 ILE 44 HD13 ILE 44 1.852 3.754 -8.194 209 H ILE 45 HN ILE 45 4.768 -0.510 -5.966 210 HA ILE 45 HA ILE 45 3.202 -2.804 -5.590 211 HB ILE 45 HB ILE 45 6.251 -2.602 -5.633 212 HG12 ILE 45 HG12 ILE 45 4.399 -3.245 -7.964 213 HG13 ILE 45 HG11 ILE 45 5.003 -1.627 -7.630 214 HG21 ILE 45 HG21 ILE 45 6.279 -4.967 -6.352 215 HG22 ILE 45 HG22 ILE 45 4.528 -5.057 -6.167 216 HG23 ILE 45 HG23 ILE 45 5.550 -4.799 -4.752 217 HD11 ILE 45 HD11 ILE 45 6.709 -4.028 -8.283 218 HD12 ILE 45 HD12 ILE 45 7.279 -2.381 -8.007 219 HD13 ILE 45 HD13 ILE 45 6.253 -2.737 -9.396 220 H LYS 46 HN LYS 46 5.674 -1.357 -3.529 221 HA LYS 46 HA LYS 46 5.864 -3.237 -1.463 222 HB2 LYS 46 HB2 LYS 46 7.472 -1.396 -1.843 223 HB3 LYS 46 HB1 LYS 46 6.240 -0.216 -1.418 224 HG2 LYS 46 HG2 LYS 46 6.226 -1.106 0.908 225 HG3 LYS 46 HG1 LYS 46 7.496 -2.248 0.459 226 HD2 LYS 46 HD2 LYS 46 8.470 -0.314 1.605 227 HD3 LYS 46 HD1 LYS 46 9.008 -0.350 -0.078 228 HE2 LYS 46 HE2 LYS 46 7.276 1.352 -0.638 229 HE3 LYS 46 HE1 LYS 46 6.793 1.408 1.058 230 HZ1 LYS 46 HZ1 LYS 46 9.486 2.110 0.026 231 HZ2 LYS 46 HZ2 LYS 46 8.948 2.253 1.621 232 HZ3 LYS 46 HZ3 LYS 46 8.265 3.216 0.412 233 H PHE 47 HN PHE 47 3.630 -0.538 -1.947 234 HA PHE 47 HA PHE 47 2.272 -0.695 0.559 235 HB2 PHE 47 HB2 PHE 47 2.139 1.384 -0.666 236 HB3 PHE 47 HB1 PHE 47 1.555 0.576 -2.113 237 HD1 PHE 47 HD2 PHE 47 0.400 0.567 1.480 238 HD2 PHE 47 HD1 PHE 47 -0.627 1.309 -2.601 239 HE1 PHE 47 HE2 PHE 47 -1.916 1.055 2.146 240 HE2 PHE 47 HE1 PHE 47 -2.945 1.788 -1.917 241 HZ PHE 47 HZ PHE 47 -3.591 1.667 0.453 242 H LEU 48 HN LEU 48 1.600 -2.013 -2.659 243 HA LEU 48 HA LEU 48 -1.002 -3.007 -2.054 244 HB2 LEU 48 HB2 LEU 48 0.830 -3.611 -4.397 245 HB3 LEU 48 HB1 LEU 48 -0.875 -4.045 -4.316 246 HG LEU 48 HG LEU 48 0.227 -1.205 -4.327 247 HD11 LEU 48 HD11 LEU 48 -1.236 -2.714 -6.517 248 HD12 LEU 48 HD12 LEU 48 0.483 -2.308 -6.501 249 HD13 LEU 48 HD13 LEU 48 -0.720 -1.024 -6.575 250 HD21 LEU 48 HD21 LEU 48 -1.823 -1.339 -3.003 251 HD22 LEU 48 HD22 LEU 48 -2.662 -2.136 -4.335 252 HD23 LEU 48 HD23 LEU 48 -2.108 -0.470 -4.514 253 H GLN 49 HN GLN 49 2.212 -4.525 -2.005 254 HA GLN 49 HA GLN 49 1.106 -7.201 -1.707 255 HB2 GLN 49 HB2 GLN 49 3.351 -8.035 -1.628 256 HB3 GLN 49 HB1 GLN 49 3.269 -6.821 -2.904 257 HG2 GLN 49 HG2 GLN 49 4.393 -5.185 -1.492 258 HG3 GLN 49 HG1 GLN 49 4.372 -6.299 -0.126 259 HE21 GLN 49 HE21 GLN 49 5.149 -7.199 -3.472 260 HE22 GLN 49 HE22 GLN 49 6.799 -7.586 -3.160 261 H GLU 50 HN GLU 50 2.197 -4.646 0.360 262 HA GLU 50 HA GLU 50 2.631 -6.132 2.758 263 HB2 GLU 50 HB2 GLU 50 3.486 -3.788 2.260 264 HB3 GLU 50 HB1 GLU 50 1.853 -3.192 2.501 265 HG2 GLU 50 HG2 GLU 50 3.107 -2.771 4.489 266 HG3 GLU 50 HG1 GLU 50 1.934 -4.038 4.852 267 H HIS 51 HN HIS 51 -0.175 -4.731 1.215 268 HA HIS 51 HA HIS 51 -1.868 -5.198 3.600 269 HB2 HIS 51 HB2 HIS 51 -2.007 -3.088 1.419 270 HB3 HIS 51 HB1 HIS 51 -3.362 -3.414 2.497 271 HD1 HIS 51 HD1 HIS 51 -0.041 -1.745 2.391 272 HD2 HIS 51 HD2 HIS 51 -2.901 -2.764 5.227 273 HE1 HIS 51 HE1 HIS 51 0.594 -0.484 4.469 274 HE2 HIS 51 HE2 HIS 51 -0.995 -1.349 6.231 275 H GLY 52 HN GLY 52 -1.940 -5.367 0.019 276 HA2 GLY 52 HA2 GLY 52 -4.309 -6.899 -0.244 277 HA3 GLY 52 HA1 GLY 52 -2.982 -6.827 -1.402 278 H SER 53 HN SER 53 -4.708 -9.070 0.031 279 HA SER 53 HA SER 53 -2.676 -10.721 1.293 280 HB2 SER 53 HB2 SER 53 -5.074 -10.709 2.067 281 HB3 SER 53 HB1 SER 53 -5.543 -11.482 0.555 282 HG SER 53 HG SER 53 -5.223 -13.173 1.849 283 H ASP 54 HN ASP 54 -2.633 -13.126 0.513 284 HA ASP 54 HA ASP 54 -1.000 -13.058 -1.767 285 HB2 ASP 54 HB2 ASP 54 -0.819 -15.528 -1.487 286 HB3 ASP 54 HB1 ASP 54 -0.621 -14.671 0.036 287 H SER 55 HN SER 55 -4.392 -14.044 -1.491 288 HA SER 55 HA SER 55 -4.565 -15.287 -4.075 289 HB2 SER 55 HB2 SER 55 -6.824 -14.279 -2.305 290 HB3 SER 55 HB1 SER 55 -6.994 -15.380 -3.675 291 HG SER 55 HG SER 55 -5.164 -16.474 -2.186 292 H PHE 56 HN PHE 56 -4.958 -12.020 -2.917 293 HA PHE 56 HA PHE 56 -5.917 -10.891 -5.390 294 HB2 PHE 56 HB2 PHE 56 -6.319 -9.623 -3.367 295 HB3 PHE 56 HB1 PHE 56 -4.629 -9.700 -2.897 296 HD1 PHE 56 HD1 PHE 56 -6.898 -8.276 -5.514 297 HD2 PHE 56 HD2 PHE 56 -3.159 -7.932 -3.468 298 HE1 PHE 56 HE1 PHE 56 -6.479 -6.118 -6.622 299 HE2 PHE 56 HE2 PHE 56 -2.748 -5.780 -4.584 300 HZ PHE 56 HZ PHE 56 -4.404 -4.877 -6.155 301 H LEU 57 HN LEU 57 -2.783 -11.284 -3.777 302 HA LEU 57 HA LEU 57 -1.266 -9.594 -5.418 303 HB2 LEU 57 HB2 LEU 57 -0.365 -11.908 -3.668 304 HB3 LEU 57 HB1 LEU 57 0.733 -10.763 -4.427 305 HG LEU 57 HG LEU 57 -1.297 -10.173 -2.255 306 HD11 LEU 57 HD11 LEU 57 0.742 -11.233 -1.468 307 HD12 LEU 57 HD12 LEU 57 0.627 -9.567 -0.906 308 HD13 LEU 57 HD13 LEU 57 1.713 -9.974 -2.241 309 HD21 LEU 57 HD21 LEU 57 -0.583 -7.841 -2.325 310 HD22 LEU 57 HD22 LEU 57 -1.331 -8.317 -3.844 311 HD23 LEU 57 HD23 LEU 57 0.426 -8.172 -3.735 312 H ALA 58 HN ALA 58 -1.578 -13.155 -5.519 313 HA ALA 58 HA ALA 58 0.334 -13.658 -7.515 314 HB1 ALA 58 HB1 ALA 58 -0.541 -15.398 -6.011 315 HB2 ALA 58 HB2 ALA 58 -0.684 -15.882 -7.703 316 HB3 ALA 58 HB3 ALA 58 -2.105 -15.319 -6.821 317 H GLU 59 HN GLU 59 -3.129 -12.986 -7.769 318 HA GLU 59 HA GLU 59 -3.442 -13.499 -10.546 319 HB2 GLU 59 HB2 GLU 59 -5.101 -11.672 -8.761 320 HB3 GLU 59 HB1 GLU 59 -5.597 -12.331 -10.320 321 HG2 GLU 59 HG2 GLU 59 -5.062 -13.913 -7.789 322 HG3 GLU 59 HG1 GLU 59 -6.642 -13.533 -8.472 323 H HIS 60 HN HIS 60 -2.187 -10.739 -8.818 324 HA HIS 60 HA HIS 60 -1.926 -9.200 -11.346 325 HB2 HIS 60 HB2 HIS 60 -1.945 -8.122 -8.485 326 HB3 HIS 60 HB1 HIS 60 -1.804 -7.155 -9.951 327 HD1 HIS 60 HD1 HIS 60 -3.992 -6.938 -11.430 328 HD2 HIS 60 HD2 HIS 60 -4.528 -8.845 -7.781 329 HE1 HIS 60 HE1 HIS 60 -6.473 -7.022 -11.081 330 HE2 HIS 60 HE2 HIS 60 -6.766 -8.401 -8.988 331 H LYS 61 HN LYS 61 -0.218 -11.273 -9.624 332 HA LYS 61 HA LYS 61 1.917 -11.719 -9.033 333 HB2 LYS 61 HB2 LYS 61 2.409 -10.169 -11.598 334 HB3 LYS 61 HB1 LYS 61 3.603 -11.199 -10.807 335 HG2 LYS 61 HG2 LYS 61 1.949 -13.126 -11.087 336 HG3 LYS 61 HG1 LYS 61 0.985 -12.043 -12.095 337 HD2 LYS 61 HD2 LYS 61 2.385 -13.471 -13.504 338 HD3 LYS 61 HD1 LYS 61 2.910 -11.790 -13.649 339 HE2 LYS 61 HE2 LYS 61 4.805 -12.222 -12.148 340 HE3 LYS 61 HE1 LYS 61 4.247 -13.874 -11.869 341 HZ1 LYS 61 HZ1 LYS 61 4.622 -14.338 -14.210 342 HZ2 LYS 61 HZ2 LYS 61 6.041 -13.800 -13.470 343 HZ3 LYS 61 HZ3 LYS 61 5.158 -12.759 -14.465 344 H LEU 62 HN LEU 62 1.071 -9.692 -7.461 345 HA LEU 62 HA LEU 62 3.106 -7.592 -7.350 346 HB2 LEU 62 HB2 LEU 62 0.465 -8.041 -5.933 347 HB3 LEU 62 HB1 LEU 62 1.577 -6.781 -5.412 348 HG LEU 62 HG LEU 62 0.446 -6.939 -8.238 349 HD11 LEU 62 HD11 LEU 62 -0.571 -5.228 -5.948 350 HD12 LEU 62 HD12 LEU 62 -1.397 -6.619 -6.658 351 HD13 LEU 62 HD13 LEU 62 -1.115 -5.177 -7.628 352 HD21 LEU 62 HD21 LEU 62 1.885 -4.694 -6.778 353 HD22 LEU 62 HD22 LEU 62 1.221 -4.608 -8.412 354 HD23 LEU 62 HD23 LEU 62 2.557 -5.701 -8.067 355 H LEU 63 HN LEU 63 2.605 -10.687 -6.005 356 HA LEU 63 HA LEU 63 3.897 -10.207 -3.460 357 HB2 LEU 63 HB2 LEU 63 3.853 -12.760 -3.270 358 HB3 LEU 63 HB1 LEU 63 2.318 -11.923 -3.325 359 HG LEU 63 HG LEU 63 2.097 -12.584 -5.754 360 HD11 LEU 63 HD11 LEU 63 4.506 -14.341 -5.232 361 HD12 LEU 63 HD12 LEU 63 4.406 -12.992 -6.366 362 HD13 LEU 63 HD13 LEU 63 3.440 -14.438 -6.638 363 HD21 LEU 63 HD21 LEU 63 0.914 -13.798 -3.992 364 HD22 LEU 63 HD22 LEU 63 2.301 -14.869 -3.766 365 HD23 LEU 63 HD23 LEU 63 1.400 -14.894 -5.285 366 H GLY 64 HN GLY 64 5.667 -11.997 -2.941 367 HA2 GLY 64 HA2 GLY 64 7.752 -12.883 -3.267 368 HA3 GLY 64 HA1 GLY 64 7.641 -12.497 -4.979 369 H ASN 65 HN ASN 65 9.633 -11.541 -5.235 370 HA ASN 65 HA ASN 65 10.580 -9.437 -3.469 371 HB2 ASN 65 HB2 ASN 65 11.699 -10.458 -6.122 372 HB3 ASN 65 HB1 ASN 65 12.510 -9.310 -5.059 373 HD21 ASN 65 HD21 ASN 65 13.478 -11.889 -5.947 374 HD22 ASN 65 HD22 ASN 65 13.737 -12.838 -4.525 375 H ILE 66 HN ILE 66 10.285 -7.307 -3.761 376 HA ILE 66 HA ILE 66 8.363 -6.212 -5.482 377 HB ILE 66 HB ILE 66 10.672 -4.760 -4.097 378 HG12 ILE 66 HG12 ILE 66 7.816 -5.213 -3.113 379 HG13 ILE 66 HG11 ILE 66 9.224 -6.103 -2.548 380 HG21 ILE 66 HG21 ILE 66 9.254 -2.734 -4.215 381 HG22 ILE 66 HG22 ILE 66 8.063 -3.621 -5.163 382 HG23 ILE 66 HG23 ILE 66 9.675 -3.336 -5.819 383 HD11 ILE 66 HD11 ILE 66 10.149 -4.037 -1.606 384 HD12 ILE 66 HD12 ILE 66 8.548 -4.401 -0.960 385 HD13 ILE 66 HD13 ILE 66 8.735 -3.146 -2.185 386 H LYS 67 HN LYS 67 11.926 -6.361 -5.808 387 HA LYS 67 HA LYS 67 12.335 -4.838 -8.112 388 HB2 LYS 67 HB2 LYS 67 13.767 -7.379 -7.249 389 HB3 LYS 67 HB1 LYS 67 14.357 -6.284 -8.498 390 HG2 LYS 67 HG2 LYS 67 14.475 -4.480 -6.745 391 HG3 LYS 67 HG1 LYS 67 14.066 -5.700 -5.533 392 HD2 LYS 67 HD2 LYS 67 16.482 -5.815 -7.383 393 HD3 LYS 67 HD1 LYS 67 16.529 -5.265 -5.708 394 HE2 LYS 67 HE2 LYS 67 15.712 -8.053 -6.597 395 HE3 LYS 67 HE1 LYS 67 17.306 -7.618 -5.984 396 HZ1 LYS 67 HZ1 LYS 67 16.277 -6.970 -3.891 397 HZ2 LYS 67 HZ2 LYS 67 15.958 -8.589 -4.258 398 HZ3 LYS 67 HZ3 LYS 67 14.757 -7.422 -4.476 399 H ASN 68 HN ASN 68 11.639 -8.339 -7.863 400 HA ASN 68 HA ASN 68 11.606 -9.079 -10.551 401 HB2 ASN 68 HB2 ASN 68 9.920 -10.159 -8.253 402 HB3 ASN 68 HB1 ASN 68 9.966 -10.912 -9.847 403 HD21 ASN 68 HD21 ASN 68 10.778 -12.827 -9.060 404 HD22 ASN 68 HD22 ASN 68 12.398 -12.999 -8.484 405 H VAL 69 HN VAL 69 8.999 -7.694 -8.603 406 HA VAL 69 HA VAL 69 7.001 -7.821 -10.657 407 HB VAL 69 HB VAL 69 6.991 -6.009 -8.198 408 HG11 VAL 69 HG11 VAL 69 4.520 -6.114 -8.399 409 HG12 VAL 69 HG12 VAL 69 4.664 -7.107 -9.850 410 HG13 VAL 69 HG13 VAL 69 5.246 -5.440 -9.862 411 HG21 VAL 69 HG21 VAL 69 5.771 -7.814 -7.004 412 HG22 VAL 69 HG22 VAL 69 7.396 -8.333 -7.458 413 HG23 VAL 69 HG23 VAL 69 6.002 -8.888 -8.389 414 H ALA 70 HN ALA 70 9.345 -5.378 -9.593 415 HA ALA 70 HA ALA 70 8.144 -3.151 -10.957 416 HB1 ALA 70 HB1 ALA 70 9.445 -2.846 -8.898 417 HB2 ALA 70 HB2 ALA 70 10.124 -1.887 -10.216 418 HB3 ALA 70 HB3 ALA 70 10.907 -3.394 -9.719 419 H LYS 71 HN LYS 71 10.478 -5.578 -11.877 420 HA LYS 71 HA LYS 71 11.672 -4.032 -14.035 421 HB2 LYS 71 HB2 LYS 71 12.986 -6.072 -14.516 422 HB3 LYS 71 HB1 LYS 71 13.065 -5.643 -12.811 423 HG2 LYS 71 HG2 LYS 71 11.401 -7.398 -12.292 424 HG3 LYS 71 HG1 LYS 71 11.327 -7.836 -13.999 425 HD2 LYS 71 HD2 LYS 71 13.815 -8.013 -12.253 426 HD3 LYS 71 HD1 LYS 71 12.752 -9.370 -12.634 427 HE2 LYS 71 HE2 LYS 71 13.312 -9.109 -15.044 428 HE3 LYS 71 HE1 LYS 71 14.386 -7.767 -14.642 429 HZ1 LYS 71 HZ1 LYS 71 14.683 -10.567 -13.711 430 HZ2 LYS 71 HZ2 LYS 71 15.710 -9.285 -13.306 431 HZ3 LYS 71 HZ3 LYS 71 15.610 -9.816 -14.909 432 H THR 72 HN THR 72 8.865 -6.007 -13.713 433 HA THR 72 HA THR 72 8.691 -6.468 -16.647 434 HB THR 72 HB THR 72 8.953 -8.595 -15.443 435 HG1 THR 72 HG1 THR 72 6.420 -8.065 -16.627 436 HG21 THR 72 HG21 THR 72 7.302 -9.420 -13.834 437 HG22 THR 72 HG22 THR 72 6.415 -7.897 -13.938 438 HG23 THR 72 HG23 THR 72 8.039 -7.926 -13.249 439 H ALA 73 HN ALA 73 6.986 -5.410 -13.756 440 HA ALA 73 HA ALA 73 4.460 -5.024 -15.216 441 HB1 ALA 73 HB1 ALA 73 3.422 -4.778 -13.009 442 HB2 ALA 73 HB2 ALA 73 5.004 -4.902 -12.230 443 HB3 ALA 73 HB3 ALA 73 4.339 -6.282 -13.105 444 H ASN 74 HN ASN 74 3.502 -3.050 -15.389 445 HA ASN 74 HA ASN 74 5.279 -0.718 -15.131 446 HB2 ASN 74 HB2 ASN 74 3.848 0.354 -16.806 447 HB3 ASN 74 HB1 ASN 74 4.407 -1.208 -17.392 448 HD21 ASN 74 HD21 ASN 74 2.064 0.443 -18.152 449 HD22 ASN 74 HD22 ASN 74 0.693 -0.599 -17.981 450 H LYS 75 HN LYS 75 3.922 1.397 -14.932 451 HA LYS 75 HA LYS 75 2.946 1.466 -12.255 452 HB2 LYS 75 HB2 LYS 75 4.297 3.249 -13.224 453 HB3 LYS 75 HB1 LYS 75 3.069 3.577 -14.436 454 HG2 LYS 75 HG2 LYS 75 1.592 4.544 -12.846 455 HG3 LYS 75 HG1 LYS 75 2.516 3.915 -11.475 456 HD2 LYS 75 HD2 LYS 75 3.622 5.939 -13.469 457 HD3 LYS 75 HD1 LYS 75 2.850 6.388 -11.947 458 HE2 LYS 75 HE2 LYS 75 4.565 5.274 -10.660 459 HE3 LYS 75 HE1 LYS 75 5.274 4.566 -12.111 460 HZ1 LYS 75 HZ1 LYS 75 5.184 7.441 -11.447 461 HZ2 LYS 75 HZ2 LYS 75 5.833 6.786 -12.865 462 HZ3 LYS 75 HZ3 LYS 75 6.541 6.440 -11.365 463 H ASP 76 HN ASP 76 1.396 1.693 -15.442 464 HA ASP 76 HA ASP 76 -1.211 2.447 -14.693 465 HB2 ASP 76 HB2 ASP 76 -0.537 2.498 -17.037 466 HB3 ASP 76 HB1 ASP 76 -0.205 0.769 -17.032 467 H HIS 77 HN HIS 77 0.321 -0.736 -14.862 468 HA HIS 77 HA HIS 77 -1.801 -2.441 -14.200 469 HB2 HIS 77 HB2 HIS 77 0.147 -3.565 -14.908 470 HB3 HIS 77 HB1 HIS 77 1.205 -2.569 -13.920 471 HD1 HIS 77 HD1 HIS 77 2.195 -3.801 -12.053 472 HD2 HIS 77 HD2 HIS 77 -1.526 -5.323 -13.034 473 HE1 HIS 77 HE1 HIS 77 1.842 -5.749 -10.518 474 HE2 HIS 77 HE2 HIS 77 -0.293 -6.793 -11.329 475 H LEU 78 HN LEU 78 0.454 -0.628 -12.135 476 HA LEU 78 HA LEU 78 -0.244 -1.867 -9.677 477 HB2 LEU 78 HB2 LEU 78 1.032 0.854 -10.110 478 HB3 LEU 78 HB1 LEU 78 1.060 -0.077 -8.615 479 HG LEU 78 HG LEU 78 2.411 -0.841 -11.223 480 HD11 LEU 78 HD11 LEU 78 4.496 -0.483 -10.041 481 HD12 LEU 78 HD12 LEU 78 3.620 0.013 -8.591 482 HD13 LEU 78 HD13 LEU 78 3.527 0.987 -10.063 483 HD21 LEU 78 HD21 LEU 78 1.623 -2.849 -10.086 484 HD22 LEU 78 HD22 LEU 78 2.409 -2.348 -8.585 485 HD23 LEU 78 HD23 LEU 78 3.378 -2.740 -10.010 486 H VAL 79 HN VAL 79 -1.282 1.110 -11.252 487 HA VAL 79 HA VAL 79 -2.844 2.186 -9.135 488 HB VAL 79 HB VAL 79 -3.111 2.717 -12.135 489 HG11 VAL 79 HG11 VAL 79 -3.936 4.452 -9.769 490 HG12 VAL 79 HG12 VAL 79 -5.035 3.555 -10.821 491 HG13 VAL 79 HG13 VAL 79 -4.081 4.888 -11.476 492 HG21 VAL 79 HG21 VAL 79 -1.349 4.145 -10.107 493 HG22 VAL 79 HG22 VAL 79 -1.535 4.589 -11.801 494 HG23 VAL 79 HG23 VAL 79 -0.777 3.059 -11.373 495 H THR 80 HN THR 80 -3.660 0.292 -12.033 496 HA THR 80 HA THR 80 -6.436 0.043 -11.693 497 HB THR 80 HB THR 80 -4.448 -1.877 -12.983 498 HG1 THR 80 HG1 THR 80 -4.876 0.440 -13.740 499 HG21 THR 80 HG21 THR 80 -7.486 -1.819 -13.277 500 HG22 THR 80 HG22 THR 80 -6.537 -3.106 -12.535 501 HG23 THR 80 HG23 THR 80 -6.380 -2.793 -14.261 502 H ALA 81 HN ALA 81 -3.823 -2.138 -10.574 503 HA ALA 81 HA ALA 81 -5.427 -4.062 -9.275 504 HB1 ALA 81 HB1 ALA 81 -2.544 -3.281 -8.691 505 HB2 ALA 81 HB2 ALA 81 -3.066 -4.443 -9.909 506 HB3 ALA 81 HB3 ALA 81 -3.330 -4.790 -8.201 507 H TYR 82 HN TYR 82 -3.941 -1.073 -8.178 508 HA TYR 82 HA TYR 82 -4.357 -1.139 -5.427 509 HB2 TYR 82 HB2 TYR 82 -2.933 0.547 -6.222 510 HB3 TYR 82 HB1 TYR 82 -4.022 1.024 -7.505 511 HD1 TYR 82 HD1 TYR 82 -5.880 2.598 -7.048 512 HD2 TYR 82 HD2 TYR 82 -3.061 1.579 -3.994 513 HE1 TYR 82 HE1 TYR 82 -6.533 4.597 -5.795 514 HE2 TYR 82 HE2 TYR 82 -3.732 3.575 -2.730 515 HH TYR 82 HH TYR 82 -4.729 5.826 -3.283 516 H ASN 83 HN ASN 83 -6.497 0.291 -7.938 517 HA ASN 83 HA ASN 83 -8.527 1.134 -6.129 518 HB2 ASN 83 HB2 ASN 83 -8.594 0.728 -9.145 519 HB3 ASN 83 HB1 ASN 83 -9.968 1.334 -8.244 520 HD21 ASN 83 HD21 ASN 83 -6.951 2.136 -9.660 521 HD22 ASN 83 HD22 ASN 83 -6.915 3.798 -9.208 522 H HIS 84 HN HIS 84 -8.176 -1.702 -8.206 523 HA HIS 84 HA HIS 84 -10.695 -2.908 -7.696 524 HB2 HIS 84 HB2 HIS 84 -8.092 -4.012 -8.814 525 HB3 HIS 84 HB1 HIS 84 -9.516 -5.026 -8.611 526 HD1 HIS 84 HD1 HIS 84 -10.588 -5.336 -10.807 527 HD2 HIS 84 HD2 HIS 84 -9.132 -1.472 -10.366 528 HE1 HIS 84 HE1 HIS 84 -11.199 -4.136 -12.927 529 HE2 HIS 84 HE2 HIS 84 -10.467 -1.759 -12.557 530 H LEU 85 HN LEU 85 -7.670 -2.913 -5.944 531 HA LEU 85 HA LEU 85 -7.907 -5.170 -4.293 532 HB2 LEU 85 HB2 LEU 85 -5.876 -3.816 -4.375 533 HB3 LEU 85 HB1 LEU 85 -6.708 -2.417 -3.773 534 HG LEU 85 HG LEU 85 -6.903 -3.414 -1.558 535 HD11 LEU 85 HD11 LEU 85 -5.874 -5.564 -1.013 536 HD12 LEU 85 HD12 LEU 85 -5.555 -5.845 -2.725 537 HD13 LEU 85 HD13 LEU 85 -7.218 -5.719 -2.139 538 HD21 LEU 85 HD21 LEU 85 -4.062 -3.600 -2.617 539 HD22 LEU 85 HD22 LEU 85 -4.514 -3.475 -0.914 540 HD23 LEU 85 HD23 LEU 85 -4.862 -2.144 -2.018 541 H PHE 86 HN PHE 86 -8.894 -1.845 -3.750 542 HA PHE 86 HA PHE 86 -10.190 -2.298 -1.238 543 HB2 PHE 86 HB2 PHE 86 -10.466 0.149 -2.998 544 HB3 PHE 86 HB1 PHE 86 -10.623 0.059 -1.245 545 HD1 PHE 86 HD1 PHE 86 -8.101 -1.297 -0.378 546 HD2 PHE 86 HD2 PHE 86 -8.741 1.521 -3.493 547 HE1 PHE 86 HE1 PHE 86 -5.770 -0.467 -0.166 548 HE2 PHE 86 HE2 PHE 86 -6.455 2.321 -3.254 549 HZ PHE 86 HZ PHE 86 -4.966 1.322 -1.601 550 H GLU 87 HN GLU 87 -11.168 -2.188 -4.580 551 HA GLU 87 HA GLU 87 -13.911 -1.562 -4.296 552 HB2 GLU 87 HB2 GLU 87 -12.532 -1.310 -6.393 553 HB3 GLU 87 HB1 GLU 87 -12.567 -3.053 -6.585 554 HG2 GLU 87 HG2 GLU 87 -14.207 -2.059 -8.056 555 HG3 GLU 87 HG1 GLU 87 -15.044 -2.964 -6.790 556 H THR 88 HN THR 88 -12.132 -4.593 -4.260 557 HA THR 88 HA THR 88 -14.627 -6.157 -3.865 558 HB THR 88 HB THR 88 -13.217 -8.130 -4.588 559 HG1 THR 88 HG1 THR 88 -11.346 -6.340 -5.661 560 HG21 THR 88 HG21 THR 88 -14.665 -6.996 -6.268 561 HG22 THR 88 HG22 THR 88 -13.182 -7.602 -7.009 562 HG23 THR 88 HG23 THR 88 -13.348 -5.882 -6.645 563 H LYS 89 HN LYS 89 -11.863 -4.932 -2.330 564 HA LYS 89 HA LYS 89 -11.056 -5.021 -0.235 565 HB2 LYS 89 HB2 LYS 89 -13.623 -6.518 0.404 566 HB3 LYS 89 HB1 LYS 89 -12.553 -5.772 1.592 567 HG2 LYS 89 HG2 LYS 89 -13.003 -3.548 0.571 568 HG3 LYS 89 HG1 LYS 89 -14.104 -4.312 -0.578 569 HD2 LYS 89 HD2 LYS 89 -15.378 -3.295 1.228 570 HD3 LYS 89 HD1 LYS 89 -15.532 -5.050 1.318 571 HE2 LYS 89 HE2 LYS 89 -13.851 -5.112 3.118 572 HE3 LYS 89 HE1 LYS 89 -13.663 -3.360 3.013 573 HZ1 LYS 89 HZ1 LYS 89 -15.113 -3.999 4.824 574 HZ2 LYS 89 HZ2 LYS 89 -16.153 -4.792 3.748 575 HZ3 LYS 89 HZ3 LYS 89 -15.968 -3.114 3.662 576 H ARG 90 HN ARG 90 -10.031 -6.859 -1.953 577 HA ARG 90 HA ARG 90 -9.847 -9.525 -0.859 578 HB2 ARG 90 HB2 ARG 90 -8.285 -8.073 -3.031 579 HB3 ARG 90 HB1 ARG 90 -8.029 -9.771 -2.625 580 HG2 ARG 90 HG2 ARG 90 -10.260 -10.353 -3.333 581 HG3 ARG 90 HG1 ARG 90 -10.688 -8.649 -3.550 582 HD2 ARG 90 HD2 ARG 90 -9.150 -8.419 -5.397 583 HD3 ARG 90 HD1 ARG 90 -8.479 -10.030 -5.097 584 HE ARG 90 HE ARG 90 -10.708 -10.933 -5.717 585 HH11 ARG 90 HH11 ARG 90 -9.917 -7.715 -6.861 586 HH12 ARG 90 HH12 ARG 90 -10.939 -7.828 -8.252 587 HH21 ARG 90 HH21 ARG 90 -12.061 -11.058 -7.523 588 HH22 ARG 90 HH22 ARG 90 -12.159 -9.728 -8.623 589 H PHE 91 HN PHE 91 -8.401 -6.647 0.044 590 HA PHE 91 HA PHE 91 -5.816 -7.429 0.812 591 HB2 PHE 91 HB2 PHE 91 -6.052 -5.512 2.534 592 HB3 PHE 91 HB1 PHE 91 -6.157 -5.120 0.828 593 HD1 PHE 91 HD2 PHE 91 -8.402 -5.883 3.762 594 HD2 PHE 91 HD1 PHE 91 -7.901 -3.773 0.073 595 HE1 PHE 91 HE2 PHE 91 -10.512 -4.681 4.160 596 HE2 PHE 91 HE1 PHE 91 -10.021 -2.576 0.489 597 HZ PHE 91 HZ PHE 91 -11.321 -3.024 2.529 598 H LYS 92 HN LYS 92 -4.943 -7.951 2.809 599 HA LYS 92 HA LYS 92 -6.320 -9.998 4.238 600 HB2 LYS 92 HB2 LYS 92 -3.910 -10.083 3.640 601 HB3 LYS 92 HB1 LYS 92 -3.589 -8.710 4.689 602 HG2 LYS 92 HG2 LYS 92 -4.149 -10.021 6.660 603 HG3 LYS 92 HG1 LYS 92 -4.644 -11.386 5.648 604 HD2 LYS 92 HD2 LYS 92 -2.307 -11.551 4.780 605 HD3 LYS 92 HD1 LYS 92 -1.828 -10.245 5.871 606 HE2 LYS 92 HE2 LYS 92 -2.323 -11.611 7.811 607 HE3 LYS 92 HE1 LYS 92 -3.027 -12.881 6.803 608 HZ1 LYS 92 HZ1 LYS 92 -0.854 -13.236 5.816 609 HZ2 LYS 92 HZ2 LYS 92 -0.797 -13.439 7.494 610 HZ3 LYS 92 HZ3 LYS 92 -0.188 -12.030 6.792 Start of MODEL 12 1 H MET 20 H MET 20 -13.283 -0.464 15.489 2 HA MET 20 HA MET 20 -13.258 -2.439 16.764 3 HB2 MET 20 HB2 MET 20 -12.870 -4.654 15.703 4 HB3 MET 20 HB1 MET 20 -14.383 -3.942 15.170 5 HG2 MET 20 HG2 MET 20 -13.331 -3.269 13.055 6 HG3 MET 20 HG1 MET 20 -11.807 -3.986 13.587 7 HE1 MET 20 HE1 MET 20 -11.808 -5.416 11.249 8 HE2 MET 20 HE2 MET 20 -13.372 -4.730 10.803 9 HE3 MET 20 HE3 MET 20 -13.136 -6.477 10.777 10 H ALA 21 HN ALA 21 -11.187 -3.955 16.973 11 HA ALA 21 HA ALA 21 -8.874 -2.235 16.730 12 HB1 ALA 21 HB1 ALA 21 -7.665 -4.022 17.937 13 HB2 ALA 21 HB2 ALA 21 -9.073 -5.078 17.789 14 HB3 ALA 21 HB3 ALA 21 -9.174 -3.609 18.755 15 H ALA 22 HN ALA 22 -8.855 -2.067 14.440 16 HA ALA 22 HA ALA 22 -7.123 -3.796 13.017 17 HB1 ALA 22 HB1 ALA 22 -9.097 -5.278 12.865 18 HB2 ALA 22 HB2 ALA 22 -8.698 -4.616 11.281 19 HB3 ALA 22 HB3 ALA 22 -10.062 -3.959 12.191 20 H ALA 23 HN ALA 23 -6.305 -1.605 13.021 21 HA ALA 23 HA ALA 23 -7.569 0.570 11.653 22 HB1 ALA 23 HB1 ALA 23 -5.372 1.694 11.876 23 HB2 ALA 23 HB2 ALA 23 -4.640 0.174 12.401 24 HB3 ALA 23 HB3 ALA 23 -5.871 0.953 13.397 25 H VAL 24 HN VAL 24 -8.135 -0.006 9.552 26 HA VAL 24 HA VAL 24 -6.541 -1.604 7.835 27 HB VAL 24 HB VAL 24 -8.161 -1.059 6.031 28 HG11 VAL 24 HG11 VAL 24 -9.489 -1.685 8.690 29 HG12 VAL 24 HG12 VAL 24 -8.697 -2.844 7.622 30 HG13 VAL 24 HG13 VAL 24 -10.174 -2.030 7.099 31 HG21 VAL 24 HG21 VAL 24 -8.606 1.326 6.517 32 HG22 VAL 24 HG22 VAL 24 -9.451 0.886 8.001 33 HG23 VAL 24 HG23 VAL 24 -10.120 0.418 6.436 34 HA PRO 25 HA PRO 25 -3.922 1.741 6.181 35 HB2 PRO 25 HB2 PRO 25 -2.687 0.238 4.221 36 HB3 PRO 25 HB1 PRO 25 -2.159 0.311 5.900 37 HG2 PRO 25 HG2 PRO 25 -3.781 -1.790 4.512 38 HG3 PRO 25 HG1 PRO 25 -2.531 -1.985 5.756 39 HD2 PRO 25 HD2 PRO 25 -5.216 -2.147 6.282 40 HD3 PRO 25 HD1 PRO 25 -4.028 -1.614 7.486 41 H GLN 26 HN GLN 26 -5.516 2.954 5.355 42 HA GLN 26 HA GLN 26 -6.850 2.526 2.845 43 HB2 GLN 26 HB2 GLN 26 -7.447 4.945 3.021 44 HB3 GLN 26 HB1 GLN 26 -7.846 4.050 4.482 45 HG2 GLN 26 HG2 GLN 26 -5.890 4.946 5.628 46 HG3 GLN 26 HG1 GLN 26 -5.354 5.754 4.157 47 HE21 GLN 26 HE21 GLN 26 -6.122 6.757 6.882 48 HE22 GLN 26 HE22 GLN 26 -7.288 7.998 6.583 49 H ARG 27 HN ARG 27 -6.472 4.531 1.199 50 HA ARG 27 HA ARG 27 -4.193 3.981 -0.228 51 HB2 ARG 27 HB2 ARG 27 -4.736 5.763 -1.674 52 HB3 ARG 27 HB1 ARG 27 -6.264 5.181 -1.046 53 HG2 ARG 27 HG2 ARG 27 -4.837 7.681 -0.081 54 HG3 ARG 27 HG1 ARG 27 -6.134 7.660 -1.269 55 HD2 ARG 27 HD2 ARG 27 -7.659 6.709 0.454 56 HD3 ARG 27 HD1 ARG 27 -6.353 6.802 1.640 57 HE ARG 27 HE ARG 27 -6.368 9.294 1.094 58 HH11 ARG 27 HH11 ARG 27 -9.288 7.335 0.973 59 HH12 ARG 27 HH12 ARG 27 -10.337 8.662 1.352 60 HH21 ARG 27 HH21 ARG 27 -7.768 11.017 1.611 61 HH22 ARG 27 HH22 ARG 27 -9.479 10.740 1.714 62 H ALA 28 HN ALA 28 -2.142 4.691 -0.325 63 HA ALA 28 HA ALA 28 -1.139 6.562 1.688 64 HB1 ALA 28 HB1 ALA 28 0.337 4.889 -0.375 65 HB2 ALA 28 HB2 ALA 28 0.100 4.472 1.321 66 HB3 ALA 28 HB3 ALA 28 1.093 5.866 0.888 67 H TRP 29 HN TRP 29 -1.851 6.364 -1.738 68 HA TRP 29 HA TRP 29 -1.196 9.208 -2.183 69 HB2 TRP 29 HB2 TRP 29 -0.374 7.029 -4.172 70 HB3 TRP 29 HB1 TRP 29 -0.032 8.751 -4.286 71 HD1 TRP 29 HD1 TRP 29 1.823 9.724 -2.427 72 HE1 TRP 29 HE1 TRP 29 3.836 8.532 -1.361 73 HE3 TRP 29 HE3 TRP 29 0.520 4.870 -3.387 74 HZ2 TRP 29 HZ2 TRP 29 4.754 5.908 -0.966 75 HZ3 TRP 29 HZ3 TRP 29 2.014 3.073 -2.617 76 HH2 TRP 29 HH2 TRP 29 4.091 3.587 -1.430 77 H THR 30 HN THR 30 -2.272 10.081 -4.112 78 HA THR 30 HA THR 30 -4.874 8.857 -4.657 79 HB THR 30 HB THR 30 -5.364 10.993 -5.847 80 HG1 THR 30 HG1 THR 30 -3.155 12.347 -4.978 81 HG21 THR 30 HG21 THR 30 -5.297 12.513 -3.906 82 HG22 THR 30 HG22 THR 30 -4.159 11.441 -3.091 83 HG23 THR 30 HG23 THR 30 -5.806 10.894 -3.415 84 H VAL 31 HN VAL 31 -5.569 9.088 -7.124 85 HA VAL 31 HA VAL 31 -4.065 7.126 -8.477 86 HB VAL 31 HB VAL 31 -6.511 7.376 -8.757 87 HG11 VAL 31 HG11 VAL 31 -7.492 9.046 -10.275 88 HG12 VAL 31 HG12 VAL 31 -5.914 9.809 -10.475 89 HG13 VAL 31 HG13 VAL 31 -6.703 9.817 -8.898 90 HG21 VAL 31 HG21 VAL 31 -6.638 6.842 -11.177 91 HG22 VAL 31 HG22 VAL 31 -5.280 6.030 -10.395 92 HG23 VAL 31 HG23 VAL 31 -4.994 7.455 -11.393 93 H GLU 32 HN GLU 32 -4.227 10.622 -8.885 94 HA GLU 32 HA GLU 32 -2.595 10.849 -11.208 95 HB2 GLU 32 HB2 GLU 32 -2.466 13.291 -10.542 96 HB3 GLU 32 HB1 GLU 32 -4.094 12.650 -10.710 97 HG2 GLU 32 HG2 GLU 32 -4.241 12.429 -8.234 98 HG3 GLU 32 HG1 GLU 32 -2.630 13.135 -8.099 99 H GLN 33 HN GLN 33 -1.895 10.862 -7.727 100 HA GLN 33 HA GLN 33 0.901 11.399 -7.953 101 HB2 GLN 33 HB2 GLN 33 -0.691 10.059 -5.741 102 HB3 GLN 33 HB1 GLN 33 1.022 10.457 -5.610 103 HG2 GLN 33 HG2 GLN 33 -1.232 12.444 -6.016 104 HG3 GLN 33 HG1 GLN 33 -0.409 12.113 -4.492 105 HE21 GLN 33 HE21 GLN 33 1.740 12.819 -4.215 106 HE22 GLN 33 HE22 GLN 33 2.441 14.030 -5.229 107 H LEU 34 HN LEU 34 -1.046 8.465 -8.086 108 HA LEU 34 HA LEU 34 1.021 6.548 -7.744 109 HB2 LEU 34 HB2 LEU 34 -1.698 6.333 -9.071 110 HB3 LEU 34 HB1 LEU 34 -0.638 4.950 -8.830 111 HG LEU 34 HG LEU 34 -1.775 6.645 -6.574 112 HD11 LEU 34 HD11 LEU 34 -3.564 5.498 -7.762 113 HD12 LEU 34 HD12 LEU 34 -3.319 4.811 -6.159 114 HD13 LEU 34 HD13 LEU 34 -2.722 3.959 -7.586 115 HD21 LEU 34 HD21 LEU 34 0.330 5.537 -5.959 116 HD22 LEU 34 HD22 LEU 34 -0.324 3.975 -6.465 117 HD23 LEU 34 HD23 LEU 34 -1.033 4.840 -5.097 118 H ARG 35 HN ARG 35 -0.657 7.778 -10.624 119 HA ARG 35 HA ARG 35 0.743 6.188 -12.505 120 HB2 ARG 35 HB2 ARG 35 -0.380 7.513 -14.219 121 HB3 ARG 35 HB1 ARG 35 -1.516 7.092 -12.943 122 HG2 ARG 35 HG2 ARG 35 -1.343 9.355 -12.009 123 HG3 ARG 35 HG1 ARG 35 -0.150 9.795 -13.231 124 HD2 ARG 35 HD2 ARG 35 -2.281 10.695 -13.902 125 HD3 ARG 35 HD1 ARG 35 -1.894 9.368 -15.000 126 HE ARG 35 HE ARG 35 -3.957 9.389 -12.886 127 HH11 ARG 35 HH11 ARG 35 -2.457 7.609 -15.526 128 HH12 ARG 35 HH12 ARG 35 -3.833 6.585 -15.772 129 HH21 ARG 35 HH21 ARG 35 -5.762 8.068 -13.235 130 HH22 ARG 35 HH22 ARG 35 -5.714 6.847 -14.468 131 H SER 36 HN SER 36 1.508 9.180 -10.963 132 HA SER 36 HA SER 36 3.294 10.406 -12.719 133 HB2 SER 36 HB2 SER 36 2.494 11.437 -10.628 134 HB3 SER 36 HB1 SER 36 3.395 10.258 -9.675 135 HG SER 36 HG SER 36 4.447 12.315 -9.934 136 H GLU 37 HN GLU 37 5.261 9.859 -13.458 137 HA GLU 37 HA GLU 37 6.462 7.345 -12.971 138 HB2 GLU 37 HB2 GLU 37 7.524 9.836 -14.367 139 HB3 GLU 37 HB1 GLU 37 8.412 8.324 -14.308 140 HG2 GLU 37 HG2 GLU 37 7.326 8.523 -16.446 141 HG3 GLU 37 HG1 GLU 37 6.600 7.195 -15.540 142 H GLN 38 HN GLN 38 7.005 10.545 -11.630 143 HA GLN 38 HA GLN 38 9.441 9.874 -10.229 144 HB2 GLN 38 HB2 GLN 38 7.714 12.342 -10.428 145 HB3 GLN 38 HB1 GLN 38 8.850 12.226 -9.095 146 HG2 GLN 38 HG2 GLN 38 9.785 13.478 -10.994 147 HG3 GLN 38 HG1 GLN 38 10.734 12.038 -10.636 148 HE21 GLN 38 HE21 GLN 38 10.694 10.290 -12.145 149 HE22 GLN 38 HE22 GLN 38 10.161 10.506 -13.773 150 H LEU 39 HN LEU 39 6.214 9.094 -9.544 151 HA LEU 39 HA LEU 39 7.023 8.456 -6.776 152 HB2 LEU 39 HB2 LEU 39 4.646 9.130 -7.093 153 HB3 LEU 39 HB1 LEU 39 4.426 7.805 -8.228 154 HG LEU 39 HG LEU 39 4.934 6.173 -6.368 155 HD11 LEU 39 HD11 LEU 39 4.825 8.585 -4.533 156 HD12 LEU 39 HD12 LEU 39 6.262 7.626 -4.905 157 HD13 LEU 39 HD13 LEU 39 4.915 6.892 -4.041 158 HD21 LEU 39 HD21 LEU 39 2.623 6.634 -6.950 159 HD22 LEU 39 HD22 LEU 39 2.576 8.002 -5.839 160 HD23 LEU 39 HD23 LEU 39 2.774 6.360 -5.217 161 HA PRO 40 HA PRO 40 8.971 4.862 -8.785 162 HB2 PRO 40 HB2 PRO 40 9.374 4.005 -5.929 163 HB3 PRO 40 HB1 PRO 40 10.555 4.134 -7.244 164 HG2 PRO 40 HG2 PRO 40 10.502 5.961 -5.297 165 HG3 PRO 40 HG1 PRO 40 10.782 6.453 -6.984 166 HD2 PRO 40 HD2 PRO 40 8.243 6.627 -5.355 167 HD3 PRO 40 HD1 PRO 40 8.955 7.827 -6.458 168 H LYS 41 HN LYS 41 8.153 3.007 -9.420 169 HA LYS 41 HA LYS 41 5.564 2.091 -8.929 170 HB2 LYS 41 HB2 LYS 41 7.957 0.567 -10.041 171 HB3 LYS 41 HB1 LYS 41 6.274 0.066 -10.202 172 HG2 LYS 41 HG2 LYS 41 5.789 2.054 -11.554 173 HG3 LYS 41 HG1 LYS 41 7.443 2.623 -11.344 174 HD2 LYS 41 HD2 LYS 41 7.119 1.580 -13.554 175 HD3 LYS 41 HD1 LYS 41 8.293 0.681 -12.585 176 HE2 LYS 41 HE2 LYS 41 6.497 -0.935 -11.974 177 HE3 LYS 41 HE1 LYS 41 5.377 -0.051 -13.017 178 HZ1 LYS 41 HZ1 LYS 41 6.734 -0.596 -14.909 179 HZ2 LYS 41 HZ2 LYS 41 6.344 -2.017 -14.077 180 HZ3 LYS 41 HZ3 LYS 41 7.890 -1.343 -13.924 181 H LYS 42 HN LYS 42 8.650 1.100 -7.561 182 HA LYS 42 HA LYS 42 7.858 -1.262 -6.265 183 HB2 LYS 42 HB2 LYS 42 9.957 -1.073 -4.993 184 HB3 LYS 42 HB1 LYS 42 10.202 -0.756 -6.706 185 HG2 LYS 42 HG2 LYS 42 10.282 1.684 -6.235 186 HG3 LYS 42 HG1 LYS 42 10.049 1.345 -4.516 187 HD2 LYS 42 HD2 LYS 42 12.431 1.751 -5.018 188 HD3 LYS 42 HD1 LYS 42 12.174 0.103 -4.444 189 HE2 LYS 42 HE2 LYS 42 12.287 -0.729 -6.770 190 HE3 LYS 42 HE1 LYS 42 12.503 0.924 -7.354 191 HZ1 LYS 42 HZ1 LYS 42 14.594 -0.221 -7.239 192 HZ2 LYS 42 HZ2 LYS 42 14.365 -0.574 -5.601 193 HZ3 LYS 42 HZ3 LYS 42 14.573 1.029 -6.095 194 H ASP 43 HN ASP 43 7.688 2.118 -5.199 195 HA ASP 43 HA ASP 43 7.055 1.617 -2.470 196 HB2 ASP 43 HB2 ASP 43 6.529 3.997 -4.289 197 HB3 ASP 43 HB1 ASP 43 5.926 3.983 -2.636 198 H ILE 44 HN ILE 44 5.071 1.909 -5.362 199 HA ILE 44 HA ILE 44 2.518 1.828 -4.082 200 HB ILE 44 HB ILE 44 3.239 1.107 -6.960 201 HG12 ILE 44 HG12 ILE 44 2.371 3.805 -5.803 202 HG13 ILE 44 HG11 ILE 44 4.006 3.394 -6.319 203 HG21 ILE 44 HG21 ILE 44 0.884 1.629 -7.512 204 HG22 ILE 44 HG22 ILE 44 0.538 1.910 -5.805 205 HG23 ILE 44 HG23 ILE 44 0.988 0.296 -6.358 206 HD11 ILE 44 HD11 ILE 44 1.568 3.582 -8.086 207 HD12 ILE 44 HD12 ILE 44 3.185 3.112 -8.623 208 HD13 ILE 44 HD13 ILE 44 2.901 4.730 -7.981 209 H ILE 45 HN ILE 45 4.439 -0.625 -5.816 210 HA ILE 45 HA ILE 45 2.714 -2.837 -5.470 211 HB ILE 45 HB ILE 45 5.742 -2.774 -5.846 212 HG12 ILE 45 HG12 ILE 45 3.578 -3.172 -7.957 213 HG13 ILE 45 HG11 ILE 45 4.318 -1.613 -7.609 214 HG21 ILE 45 HG21 ILE 45 5.043 -4.998 -5.027 215 HG22 ILE 45 HG22 ILE 45 5.564 -5.082 -6.709 216 HG23 ILE 45 HG23 ILE 45 3.842 -5.111 -6.320 217 HD11 ILE 45 HD11 ILE 45 5.781 -4.048 -8.617 218 HD12 ILE 45 HD12 ILE 45 6.473 -2.449 -8.335 219 HD13 ILE 45 HD13 ILE 45 5.249 -2.677 -9.586 220 H LYS 46 HN LYS 46 5.393 -1.584 -3.507 221 HA LYS 46 HA LYS 46 5.579 -3.564 -1.526 222 HB2 LYS 46 HB2 LYS 46 7.129 -1.557 -1.888 223 HB3 LYS 46 HB1 LYS 46 5.943 -0.565 -1.071 224 HG2 LYS 46 HG2 LYS 46 7.319 -2.938 0.219 225 HG3 LYS 46 HG1 LYS 46 7.973 -1.306 0.286 226 HD2 LYS 46 HD2 LYS 46 5.311 -2.219 1.438 227 HD3 LYS 46 HD1 LYS 46 6.784 -1.903 2.355 228 HE2 LYS 46 HE2 LYS 46 6.683 0.481 1.626 229 HE3 LYS 46 HE1 LYS 46 5.160 0.137 0.793 230 HZ1 LYS 46 HZ1 LYS 46 4.144 -0.398 2.867 231 HZ2 LYS 46 HZ2 LYS 46 4.887 1.110 3.021 232 HZ3 LYS 46 HZ3 LYS 46 5.608 -0.260 3.701 233 H PHE 47 HN PHE 47 3.636 -0.607 -1.693 234 HA PHE 47 HA PHE 47 2.299 -0.776 0.769 235 HB2 PHE 47 HB2 PHE 47 2.349 1.303 -0.495 236 HB3 PHE 47 HB1 PHE 47 1.531 0.556 -1.862 237 HD1 PHE 47 HD2 PHE 47 0.824 0.745 1.818 238 HD2 PHE 47 HD1 PHE 47 -0.626 1.436 -2.133 239 HE1 PHE 47 HE2 PHE 47 -1.339 1.463 2.742 240 HE2 PHE 47 HE1 PHE 47 -2.794 2.143 -1.212 241 HZ PHE 47 HZ PHE 47 -3.146 2.147 1.233 242 H LEU 48 HN LEU 48 1.268 -1.887 -2.460 243 HA LEU 48 HA LEU 48 -1.322 -2.767 -1.656 244 HB2 LEU 48 HB2 LEU 48 0.261 -3.354 -4.180 245 HB3 LEU 48 HB1 LEU 48 -1.447 -3.727 -3.962 246 HG LEU 48 HG LEU 48 -0.227 -0.930 -3.967 247 HD11 LEU 48 HD11 LEU 48 -1.372 -0.626 -6.116 248 HD12 LEU 48 HD12 LEU 48 -1.941 -2.296 -6.069 249 HD13 LEU 48 HD13 LEU 48 -0.214 -1.955 -6.191 250 HD21 LEU 48 HD21 LEU 48 -3.160 -1.730 -3.754 251 HD22 LEU 48 HD22 LEU 48 -2.535 -0.089 -3.923 252 HD23 LEU 48 HD23 LEU 48 -2.174 -1.015 -2.472 253 H GLN 49 HN GLN 49 1.807 -4.389 -1.919 254 HA GLN 49 HA GLN 49 0.675 -7.045 -1.521 255 HB2 GLN 49 HB2 GLN 49 2.891 -7.928 -1.649 256 HB3 GLN 49 HB1 GLN 49 2.819 -6.652 -2.858 257 HG2 GLN 49 HG2 GLN 49 4.035 -5.140 -1.368 258 HG3 GLN 49 HG1 GLN 49 4.037 -6.362 -0.100 259 HE21 GLN 49 HE21 GLN 49 4.686 -6.869 -3.550 260 HE22 GLN 49 HE22 GLN 49 6.324 -7.365 -3.346 261 H GLU 50 HN GLU 50 1.872 -4.456 0.434 262 HA GLU 50 HA GLU 50 2.570 -5.871 2.805 263 HB2 GLU 50 HB2 GLU 50 3.388 -3.597 2.270 264 HB3 GLU 50 HB1 GLU 50 1.757 -2.962 2.401 265 HG2 GLU 50 HG2 GLU 50 1.739 -3.467 4.810 266 HG3 GLU 50 HG1 GLU 50 3.358 -4.154 4.682 267 H HIS 51 HN HIS 51 -0.517 -4.852 1.515 268 HA HIS 51 HA HIS 51 -1.828 -5.873 3.970 269 HB2 HIS 51 HB2 HIS 51 -3.610 -4.243 3.821 270 HB3 HIS 51 HB1 HIS 51 -2.061 -3.435 3.931 271 HD1 HIS 51 HD1 HIS 51 -1.207 -2.261 1.704 272 HD2 HIS 51 HD2 HIS 51 -5.176 -3.461 1.696 273 HE1 HIS 51 HE1 HIS 51 -2.287 -0.988 -0.165 274 HE2 HIS 51 HE2 HIS 51 -4.709 -1.652 -0.086 275 H GLY 52 HN GLY 52 -1.826 -5.811 0.476 276 HA2 GLY 52 HA2 GLY 52 -4.333 -7.034 -0.014 277 HA3 GLY 52 HA1 GLY 52 -2.953 -7.029 -1.101 278 H SER 53 HN SER 53 -4.974 -9.161 -0.109 279 HA SER 53 HA SER 53 -3.510 -11.168 1.278 280 HB2 SER 53 HB2 SER 53 -5.986 -11.210 1.182 281 HB3 SER 53 HB1 SER 53 -5.930 -11.456 -0.564 282 HG SER 53 HG SER 53 -5.812 -13.501 -0.134 283 H ASP 54 HN ASP 54 -2.527 -13.062 0.458 284 HA ASP 54 HA ASP 54 -0.765 -12.620 -1.706 285 HB2 ASP 54 HB2 ASP 54 0.066 -14.890 -1.280 286 HB3 ASP 54 HB1 ASP 54 -0.205 -14.040 0.236 287 H SER 55 HN SER 55 -3.826 -14.239 -1.535 288 HA SER 55 HA SER 55 -3.890 -15.626 -3.981 289 HB2 SER 55 HB2 SER 55 -6.403 -15.434 -3.682 290 HB3 SER 55 HB1 SER 55 -5.548 -16.052 -2.264 291 HG SER 55 HG SER 55 -6.958 -13.697 -2.594 292 H PHE 56 HN PHE 56 -4.880 -12.298 -3.149 293 HA PHE 56 HA PHE 56 -5.652 -11.376 -5.719 294 HB2 PHE 56 HB2 PHE 56 -6.330 -10.102 -3.761 295 HB3 PHE 56 HB1 PHE 56 -4.669 -9.927 -3.213 296 HD1 PHE 56 HD1 PHE 56 -7.116 -8.793 -5.769 297 HD2 PHE 56 HD2 PHE 56 -3.287 -8.110 -4.008 298 HE1 PHE 56 HE1 PHE 56 -6.959 -6.633 -6.926 299 HE2 PHE 56 HE2 PHE 56 -3.137 -5.955 -5.173 300 HZ PHE 56 HZ PHE 56 -4.970 -5.221 -6.628 301 H LEU 57 HN LEU 57 -2.623 -11.330 -3.927 302 HA LEU 57 HA LEU 57 -1.092 -9.736 -5.685 303 HB2 LEU 57 HB2 LEU 57 -0.104 -11.799 -3.685 304 HB3 LEU 57 HB1 LEU 57 0.865 -10.523 -4.418 305 HG LEU 57 HG LEU 57 -1.441 -10.142 -2.477 306 HD11 LEU 57 HD11 LEU 57 0.244 -9.327 -0.916 307 HD12 LEU 57 HD12 LEU 57 1.521 -9.670 -2.085 308 HD13 LEU 57 HD13 LEU 57 0.570 -10.990 -1.400 309 HD21 LEU 57 HD21 LEU 57 -1.413 -8.312 -4.115 310 HD22 LEU 57 HD22 LEU 57 0.286 -7.999 -3.750 311 HD23 LEU 57 HD23 LEU 57 -0.947 -7.752 -2.511 312 H ALA 58 HN ALA 58 -1.761 -13.195 -5.598 313 HA ALA 58 HA ALA 58 0.193 -14.008 -7.509 314 HB1 ALA 58 HB1 ALA 58 -1.098 -16.105 -7.624 315 HB2 ALA 58 HB2 ALA 58 -2.420 -15.347 -6.733 316 HB3 ALA 58 HB3 ALA 58 -0.858 -15.607 -5.949 317 H GLU 59 HN GLU 59 -3.302 -13.271 -7.759 318 HA GLU 59 HA GLU 59 -3.709 -13.649 -10.509 319 HB2 GLU 59 HB2 GLU 59 -5.087 -11.606 -8.712 320 HB3 GLU 59 HB1 GLU 59 -5.700 -12.182 -10.263 321 HG2 GLU 59 HG2 GLU 59 -5.972 -14.432 -9.335 322 HG3 GLU 59 HG1 GLU 59 -5.302 -13.890 -7.793 323 H HIS 60 HN HIS 60 -2.393 -10.885 -8.764 324 HA HIS 60 HA HIS 60 -2.273 -9.241 -11.234 325 HB2 HIS 60 HB2 HIS 60 -2.272 -8.406 -8.296 326 HB3 HIS 60 HB1 HIS 60 -2.044 -7.289 -9.640 327 HD1 HIS 60 HD1 HIS 60 -4.107 -6.234 -10.506 328 HD2 HIS 60 HD2 HIS 60 -4.934 -9.770 -8.497 329 HE1 HIS 60 HE1 HIS 60 -6.609 -6.396 -10.435 330 HE2 HIS 60 HE2 HIS 60 -7.090 -8.588 -9.298 331 H LYS 61 HN LYS 61 -0.335 -11.216 -9.438 332 HA LYS 61 HA LYS 61 1.859 -11.562 -9.092 333 HB2 LYS 61 HB2 LYS 61 2.017 -10.082 -11.735 334 HB3 LYS 61 HB1 LYS 61 3.425 -10.843 -10.988 335 HG2 LYS 61 HG2 LYS 61 2.180 -13.023 -11.007 336 HG3 LYS 61 HG1 LYS 61 0.886 -12.228 -11.915 337 HD2 LYS 61 HD2 LYS 61 2.455 -11.737 -13.747 338 HD3 LYS 61 HD1 LYS 61 3.785 -12.445 -12.827 339 HE2 LYS 61 HE2 LYS 61 2.560 -14.640 -12.876 340 HE3 LYS 61 HE1 LYS 61 1.357 -13.896 -13.930 341 HZ1 LYS 61 HZ1 LYS 61 3.028 -15.132 -15.168 342 HZ2 LYS 61 HZ2 LYS 61 4.247 -14.146 -14.539 343 HZ3 LYS 61 HZ3 LYS 61 3.070 -13.488 -15.553 344 H LEU 62 HN LEU 62 0.880 -9.426 -7.602 345 HA LEU 62 HA LEU 62 2.967 -7.386 -7.506 346 HB2 LEU 62 HB2 LEU 62 0.540 -7.809 -5.718 347 HB3 LEU 62 HB1 LEU 62 1.644 -6.443 -5.614 348 HG LEU 62 HG LEU 62 -0.222 -7.080 -7.937 349 HD11 LEU 62 HD11 LEU 62 -1.378 -6.192 -5.968 350 HD12 LEU 62 HD12 LEU 62 -1.398 -5.037 -7.295 351 HD13 LEU 62 HD13 LEU 62 -0.295 -4.796 -5.938 352 HD21 LEU 62 HD21 LEU 62 1.737 -4.764 -7.663 353 HD22 LEU 62 HD22 LEU 62 0.519 -4.938 -8.931 354 HD23 LEU 62 HD23 LEU 62 1.838 -6.097 -8.817 355 H LEU 63 HN LEU 63 2.534 -10.519 -6.248 356 HA LEU 63 HA LEU 63 4.105 -10.130 -3.835 357 HB2 LEU 63 HB2 LEU 63 4.130 -12.723 -3.804 358 HB3 LEU 63 HB1 LEU 63 2.610 -11.895 -3.559 359 HG LEU 63 HG LEU 63 1.956 -12.407 -5.917 360 HD11 LEU 63 HD11 LEU 63 4.475 -14.078 -6.043 361 HD12 LEU 63 HD12 LEU 63 4.108 -12.636 -6.997 362 HD13 LEU 63 HD13 LEU 63 3.156 -14.101 -7.217 363 HD21 LEU 63 HD21 LEU 63 1.446 -14.779 -5.553 364 HD22 LEU 63 HD22 LEU 63 1.184 -13.834 -4.089 365 HD23 LEU 63 HD23 LEU 63 2.625 -14.845 -4.239 366 H GLY 64 HN GLY 64 6.077 -11.482 -3.481 367 HA2 GLY 64 HA2 GLY 64 8.150 -12.343 -4.157 368 HA3 GLY 64 HA1 GLY 64 7.841 -11.822 -5.807 369 H ASN 65 HN ASN 65 10.138 -11.109 -5.532 370 HA ASN 65 HA ASN 65 10.907 -8.990 -3.847 371 HB2 ASN 65 HB2 ASN 65 12.055 -9.926 -6.505 372 HB3 ASN 65 HB1 ASN 65 12.793 -8.650 -5.541 373 HD21 ASN 65 HD21 ASN 65 12.335 -9.789 -2.941 374 HD22 ASN 65 HD22 ASN 65 13.346 -11.183 -2.809 375 H ILE 66 HN ILE 66 10.454 -6.907 -3.902 376 HA ILE 66 HA ILE 66 8.224 -6.037 -5.377 377 HB ILE 66 HB ILE 66 10.158 -4.258 -3.830 378 HG12 ILE 66 HG12 ILE 66 7.770 -5.778 -2.698 379 HG13 ILE 66 HG11 ILE 66 9.436 -6.311 -2.514 380 HG21 ILE 66 HG21 ILE 66 7.180 -3.954 -4.352 381 HG22 ILE 66 HG22 ILE 66 8.464 -3.028 -5.129 382 HG23 ILE 66 HG23 ILE 66 8.179 -2.853 -3.398 383 HD11 ILE 66 HD11 ILE 66 8.255 -3.761 -1.417 384 HD12 ILE 66 HD12 ILE 66 9.933 -4.279 -1.231 385 HD13 ILE 66 HD13 ILE 66 8.630 -5.225 -0.512 386 H LYS 67 HN LYS 67 11.650 -5.023 -5.595 387 HA LYS 67 HA LYS 67 11.393 -3.194 -7.734 388 HB2 LYS 67 HB2 LYS 67 13.888 -3.400 -7.936 389 HB3 LYS 67 HB1 LYS 67 13.336 -3.096 -6.302 390 HG2 LYS 67 HG2 LYS 67 14.969 -4.681 -5.903 391 HG3 LYS 67 HG1 LYS 67 13.540 -5.707 -6.015 392 HD2 LYS 67 HD2 LYS 67 14.133 -6.179 -8.414 393 HD3 LYS 67 HD1 LYS 67 15.604 -5.226 -8.202 394 HE2 LYS 67 HE2 LYS 67 16.352 -6.827 -6.446 395 HE3 LYS 67 HE1 LYS 67 14.894 -7.788 -6.726 396 HZ1 LYS 67 HZ1 LYS 67 15.608 -8.142 -9.003 397 HZ2 LYS 67 HZ2 LYS 67 16.793 -8.674 -7.922 398 HZ3 LYS 67 HZ3 LYS 67 16.999 -7.212 -8.745 399 H ASN 68 HN ASN 68 11.742 -6.661 -7.669 400 HA ASN 68 HA ASN 68 12.370 -7.146 -10.419 401 HB2 ASN 68 HB2 ASN 68 12.908 -8.807 -8.741 402 HB3 ASN 68 HB1 ASN 68 11.238 -8.910 -8.206 403 HD21 ASN 68 HD21 ASN 68 9.750 -10.117 -9.465 404 HD22 ASN 68 HD22 ASN 68 10.278 -11.243 -10.661 405 H VAL 69 HN VAL 69 9.362 -6.974 -8.547 406 HA VAL 69 HA VAL 69 7.569 -7.487 -10.731 407 HB VAL 69 HB VAL 69 6.998 -5.983 -8.125 408 HG11 VAL 69 HG11 VAL 69 5.250 -5.622 -9.815 409 HG12 VAL 69 HG12 VAL 69 4.632 -6.617 -8.496 410 HG13 VAL 69 HG13 VAL 69 5.071 -7.365 -10.035 411 HG21 VAL 69 HG21 VAL 69 7.893 -8.222 -7.616 412 HG22 VAL 69 HG22 VAL 69 6.691 -8.962 -8.673 413 HG23 VAL 69 HG23 VAL 69 6.181 -8.129 -7.203 414 H ALA 70 HN ALA 70 9.154 -4.682 -9.363 415 HA ALA 70 HA ALA 70 7.549 -2.650 -10.571 416 HB1 ALA 70 HB1 ALA 70 9.131 -1.083 -9.584 417 HB2 ALA 70 HB2 ALA 70 10.281 -2.390 -9.282 418 HB3 ALA 70 HB3 ALA 70 8.743 -2.355 -8.417 419 H LYS 71 HN LYS 71 9.979 -4.614 -11.949 420 HA LYS 71 HA LYS 71 10.590 -2.609 -14.015 421 HB2 LYS 71 HB2 LYS 71 12.265 -4.159 -14.867 422 HB3 LYS 71 HB1 LYS 71 12.497 -3.891 -13.146 423 HG2 LYS 71 HG2 LYS 71 11.556 -6.063 -12.620 424 HG3 LYS 71 HG1 LYS 71 11.137 -6.346 -14.310 425 HD2 LYS 71 HD2 LYS 71 13.969 -6.008 -13.244 426 HD3 LYS 71 HD1 LYS 71 13.202 -7.558 -13.594 427 HE2 LYS 71 HE2 LYS 71 13.009 -6.912 -15.975 428 HE3 LYS 71 HE1 LYS 71 13.771 -5.362 -15.616 429 HZ1 LYS 71 HZ1 LYS 71 15.045 -8.004 -15.218 430 HZ2 LYS 71 HZ2 LYS 71 15.770 -6.493 -15.003 431 HZ3 LYS 71 HZ3 LYS 71 15.302 -6.995 -16.549 432 H THR 72 HN THR 72 8.487 -5.332 -13.533 433 HA THR 72 HA THR 72 8.220 -5.781 -16.455 434 HB THR 72 HB THR 72 9.178 -7.708 -15.305 435 HG1 THR 72 HG1 THR 72 7.986 -8.444 -16.926 436 HG21 THR 72 HG21 THR 72 7.938 -9.022 -13.637 437 HG22 THR 72 HG22 THR 72 6.634 -7.833 -13.626 438 HG23 THR 72 HG23 THR 72 8.236 -7.390 -13.028 439 H ALA 73 HN ALA 73 6.383 -5.452 -13.458 440 HA ALA 73 HA ALA 73 3.791 -5.504 -14.828 441 HB1 ALA 73 HB1 ALA 73 3.970 -6.688 -12.675 442 HB2 ALA 73 HB2 ALA 73 2.840 -5.341 -12.543 443 HB3 ALA 73 HB3 ALA 73 4.467 -5.197 -11.871 444 H ASN 74 HN ASN 74 3.391 -3.655 -15.895 445 HA ASN 74 HA ASN 74 4.840 -1.247 -15.482 446 HB2 ASN 74 HB2 ASN 74 3.594 -0.348 -17.369 447 HB3 ASN 74 HB1 ASN 74 4.033 -2.015 -17.721 448 HD21 ASN 74 HD21 ASN 74 2.410 -3.600 -17.757 449 HD22 ASN 74 HD22 ASN 74 0.740 -3.188 -17.908 450 H LYS 75 HN LYS 75 3.656 0.961 -15.430 451 HA LYS 75 HA LYS 75 2.628 1.210 -12.813 452 HB2 LYS 75 HB2 LYS 75 3.950 2.982 -13.924 453 HB3 LYS 75 HB1 LYS 75 2.638 3.257 -15.062 454 HG2 LYS 75 HG2 LYS 75 2.590 4.984 -13.354 455 HG3 LYS 75 HG1 LYS 75 1.160 3.960 -13.204 456 HD2 LYS 75 HD2 LYS 75 1.964 4.359 -10.980 457 HD3 LYS 75 HD1 LYS 75 2.364 2.685 -11.363 458 HE2 LYS 75 HE2 LYS 75 4.248 3.714 -10.235 459 HE3 LYS 75 HE1 LYS 75 4.690 3.429 -11.917 460 HZ1 LYS 75 HZ1 LYS 75 3.816 6.028 -10.775 461 HZ2 LYS 75 HZ2 LYS 75 4.246 5.751 -12.385 462 HZ3 LYS 75 HZ3 LYS 75 5.408 5.602 -11.166 463 H ASP 76 HN ASP 76 0.984 1.356 -15.984 464 HA ASP 76 HA ASP 76 -1.598 2.135 -15.137 465 HB2 ASP 76 HB2 ASP 76 -1.006 2.223 -17.492 466 HB3 ASP 76 HB1 ASP 76 -0.662 0.501 -17.534 467 H HIS 77 HN HIS 77 -0.057 -1.022 -15.349 468 HA HIS 77 HA HIS 77 -2.190 -2.750 -14.672 469 HB2 HIS 77 HB2 HIS 77 -0.073 -3.507 -15.705 470 HB3 HIS 77 HB1 HIS 77 0.830 -3.022 -14.284 471 HD1 HIS 77 HD1 HIS 77 -1.093 -5.784 -15.744 472 HD2 HIS 77 HD2 HIS 77 0.503 -4.811 -12.036 473 HE1 HIS 77 HE1 HIS 77 -0.984 -7.934 -14.482 474 HE2 HIS 77 HE2 HIS 77 0.220 -7.356 -12.357 475 H LEU 78 HN LEU 78 0.161 -0.932 -12.719 476 HA LEU 78 HA LEU 78 -0.457 -2.113 -10.189 477 HB2 LEU 78 HB2 LEU 78 0.795 0.623 -10.636 478 HB3 LEU 78 HB1 LEU 78 0.901 -0.362 -9.181 479 HG LEU 78 HG LEU 78 2.218 -0.901 -11.860 480 HD11 LEU 78 HD11 LEU 78 4.317 -0.636 -10.651 481 HD12 LEU 78 HD12 LEU 78 3.435 -0.285 -9.163 482 HD13 LEU 78 HD13 LEU 78 3.322 0.815 -10.540 483 HD21 LEU 78 HD21 LEU 78 3.237 -2.900 -10.852 484 HD22 LEU 78 HD22 LEU 78 1.488 -3.051 -10.967 485 HD23 LEU 78 HD23 LEU 78 2.241 -2.696 -9.409 486 H VAL 79 HN VAL 79 -1.550 0.798 -11.851 487 HA VAL 79 HA VAL 79 -3.030 2.006 -9.756 488 HB VAL 79 HB VAL 79 -3.315 2.273 -12.797 489 HG11 VAL 79 HG11 VAL 79 -4.566 4.015 -10.640 490 HG12 VAL 79 HG12 VAL 79 -5.431 2.957 -11.753 491 HG13 VAL 79 HG13 VAL 79 -4.581 4.373 -12.372 492 HG21 VAL 79 HG21 VAL 79 -1.924 4.083 -10.771 493 HG22 VAL 79 HG22 VAL 79 -2.052 4.383 -12.505 494 HG23 VAL 79 HG23 VAL 79 -1.115 3.011 -11.916 495 H THR 80 HN THR 80 -3.997 -0.163 -12.423 496 HA THR 80 HA THR 80 -6.746 -0.393 -11.829 497 HB THR 80 HB THR 80 -4.923 -2.445 -13.161 498 HG1 THR 80 HG1 THR 80 -5.852 0.007 -13.951 499 HG21 THR 80 HG21 THR 80 -7.944 -2.093 -13.377 500 HG22 THR 80 HG22 THR 80 -7.125 -3.419 -12.550 501 HG23 THR 80 HG23 THR 80 -6.974 -3.244 -14.300 502 H ALA 81 HN ALA 81 -3.955 -2.349 -10.761 503 HA ALA 81 HA ALA 81 -5.312 -4.305 -9.253 504 HB1 ALA 81 HB1 ALA 81 -3.113 -4.717 -8.190 505 HB2 ALA 81 HB2 ALA 81 -2.506 -3.201 -8.860 506 HB3 ALA 81 HB3 ALA 81 -2.948 -4.523 -9.940 507 H TYR 82 HN TYR 82 -3.944 -1.173 -8.378 508 HA TYR 82 HA TYR 82 -4.273 -1.078 -5.635 509 HB2 TYR 82 HB2 TYR 82 -2.981 0.644 -6.648 510 HB3 TYR 82 HB1 TYR 82 -4.222 1.032 -7.825 511 HD1 TYR 82 HD1 TYR 82 -6.069 2.528 -7.250 512 HD2 TYR 82 HD2 TYR 82 -3.024 1.665 -4.382 513 HE1 TYR 82 HE1 TYR 82 -6.810 4.434 -5.916 514 HE2 TYR 82 HE2 TYR 82 -3.791 3.567 -3.002 515 HH TYR 82 HH TYR 82 -6.744 5.136 -3.559 516 H ASN 83 HN ASN 83 -6.577 0.072 -8.132 517 HA ASN 83 HA ASN 83 -8.482 1.056 -6.266 518 HB2 ASN 83 HB2 ASN 83 -8.649 0.535 -9.248 519 HB3 ASN 83 HB1 ASN 83 -10.041 1.112 -8.338 520 HD21 ASN 83 HD21 ASN 83 -6.972 1.976 -9.698 521 HD22 ASN 83 HD22 ASN 83 -7.047 3.658 -9.325 522 H HIS 84 HN HIS 84 -8.341 -1.976 -8.087 523 HA HIS 84 HA HIS 84 -10.915 -2.938 -7.270 524 HB2 HIS 84 HB2 HIS 84 -8.576 -4.279 -8.658 525 HB3 HIS 84 HB1 HIS 84 -10.042 -5.162 -8.247 526 HD1 HIS 84 HD1 HIS 84 -12.324 -3.909 -9.227 527 HD2 HIS 84 HD2 HIS 84 -8.730 -3.152 -11.153 528 HE1 HIS 84 HE1 HIS 84 -12.952 -3.048 -11.491 529 HE2 HIS 84 HE2 HIS 84 -10.762 -2.781 -12.701 530 H LEU 85 HN LEU 85 -7.709 -3.104 -5.839 531 HA LEU 85 HA LEU 85 -7.985 -5.267 -4.073 532 HB2 LEU 85 HB2 LEU 85 -5.892 -3.899 -4.434 533 HB3 LEU 85 HB1 LEU 85 -6.598 -2.615 -3.512 534 HG LEU 85 HG LEU 85 -6.495 -3.896 -1.459 535 HD11 LEU 85 HD11 LEU 85 -5.574 -6.259 -3.118 536 HD12 LEU 85 HD12 LEU 85 -7.113 -6.095 -2.271 537 HD13 LEU 85 HD13 LEU 85 -5.616 -6.198 -1.352 538 HD21 LEU 85 HD21 LEU 85 -3.871 -4.210 -2.975 539 HD22 LEU 85 HD22 LEU 85 -4.071 -4.231 -1.220 540 HD23 LEU 85 HD23 LEU 85 -4.414 -2.759 -2.122 541 H PHE 86 HN PHE 86 -8.685 -1.848 -3.569 542 HA PHE 86 HA PHE 86 -9.813 -2.132 -0.962 543 HB2 PHE 86 HB2 PHE 86 -10.043 0.230 -2.866 544 HB3 PHE 86 HB1 PHE 86 -10.295 0.260 -1.123 545 HD1 PHE 86 HD2 PHE 86 -8.185 -0.386 0.369 546 HD2 PHE 86 HD1 PHE 86 -7.951 0.698 -3.735 547 HE1 PHE 86 HE2 PHE 86 -5.808 0.267 0.656 548 HE2 PHE 86 HE1 PHE 86 -5.617 1.285 -3.438 549 HZ PHE 86 HZ PHE 86 -4.530 1.075 -1.256 550 H GLU 87 HN GLU 87 -11.067 -2.017 -4.238 551 HA GLU 87 HA GLU 87 -13.691 -1.170 -3.756 552 HB2 GLU 87 HB2 GLU 87 -12.722 -1.155 -5.997 553 HB3 GLU 87 HB1 GLU 87 -12.575 -2.907 -5.992 554 HG2 GLU 87 HG2 GLU 87 -15.069 -3.079 -5.915 555 HG3 GLU 87 HG1 GLU 87 -15.160 -1.321 -6.017 556 H THR 88 HN THR 88 -12.433 -4.509 -4.078 557 HA THR 88 HA THR 88 -14.990 -5.563 -3.005 558 HB THR 88 HB THR 88 -14.149 -7.772 -4.042 559 HG1 THR 88 HG1 THR 88 -12.509 -6.059 -5.605 560 HG21 THR 88 HG21 THR 88 -15.972 -6.462 -5.087 561 HG22 THR 88 HG22 THR 88 -14.935 -7.194 -6.314 562 HG23 THR 88 HG23 THR 88 -14.779 -5.477 -5.938 563 H LYS 89 HN LYS 89 -12.286 -4.580 -1.700 564 HA LYS 89 HA LYS 89 -11.259 -4.923 0.295 565 HB2 LYS 89 HB2 LYS 89 -13.678 -6.704 0.819 566 HB3 LYS 89 HB1 LYS 89 -12.588 -6.095 2.065 567 HG2 LYS 89 HG2 LYS 89 -14.371 -4.394 0.273 568 HG3 LYS 89 HG1 LYS 89 -14.697 -4.814 1.961 569 HD2 LYS 89 HD2 LYS 89 -12.688 -3.575 2.676 570 HD3 LYS 89 HD1 LYS 89 -12.302 -3.200 0.993 571 HE2 LYS 89 HE2 LYS 89 -14.797 -2.276 2.459 572 HE3 LYS 89 HE1 LYS 89 -13.361 -1.295 2.156 573 HZ1 LYS 89 HZ1 LYS 89 -15.092 -0.859 0.543 574 HZ2 LYS 89 HZ2 LYS 89 -15.107 -2.480 0.068 575 HZ3 LYS 89 HZ3 LYS 89 -13.737 -1.528 -0.214 576 H ARG 90 HN ARG 90 -10.307 -6.494 -1.790 577 HA ARG 90 HA ARG 90 -10.004 -9.269 -1.176 578 HB2 ARG 90 HB2 ARG 90 -8.487 -7.452 -3.084 579 HB3 ARG 90 HB1 ARG 90 -8.305 -9.206 -3.028 580 HG2 ARG 90 HG2 ARG 90 -10.664 -9.494 -3.640 581 HG3 ARG 90 HG1 ARG 90 -10.887 -7.740 -3.665 582 HD2 ARG 90 HD2 ARG 90 -9.420 -7.496 -5.542 583 HD3 ARG 90 HD1 ARG 90 -8.865 -9.168 -5.406 584 HE ARG 90 HE ARG 90 -11.590 -8.347 -6.241 585 HH11 ARG 90 HH11 ARG 90 -8.937 -10.667 -6.380 586 HH12 ARG 90 HH12 ARG 90 -9.692 -11.627 -7.605 587 HH21 ARG 90 HH21 ARG 90 -12.552 -9.625 -7.858 588 HH22 ARG 90 HH22 ARG 90 -11.748 -11.051 -8.429 589 H PHE 91 HN PHE 91 -8.497 -6.554 0.141 590 HA PHE 91 HA PHE 91 -5.989 -7.764 0.857 591 HB2 PHE 91 HB2 PHE 91 -5.750 -5.778 2.400 592 HB3 PHE 91 HB1 PHE 91 -5.969 -5.385 0.708 593 HD1 PHE 91 HD2 PHE 91 -7.910 -5.634 3.927 594 HD2 PHE 91 HD1 PHE 91 -7.542 -3.771 0.098 595 HE1 PHE 91 HE2 PHE 91 -9.678 -4.039 4.530 596 HE2 PHE 91 HE1 PHE 91 -9.308 -2.180 0.717 597 HZ PHE 91 HZ PHE 91 -10.381 -2.308 2.924 598 H LYS 92 HN LYS 92 -5.313 -8.206 3.026 599 HA LYS 92 HA LYS 92 -7.385 -9.025 4.947 600 HB2 LYS 92 HB2 LYS 92 -6.570 -10.961 3.374 601 HB3 LYS 92 HB1 LYS 92 -5.047 -10.867 4.241 602 HG2 LYS 92 HG2 LYS 92 -7.703 -11.375 5.627 603 HG3 LYS 92 HG1 LYS 92 -6.706 -12.669 4.966 604 HD2 LYS 92 HD2 LYS 92 -4.873 -12.054 6.496 605 HD3 LYS 92 HD1 LYS 92 -5.839 -10.725 7.143 606 HE2 LYS 92 HE2 LYS 92 -7.475 -12.306 8.042 607 HE3 LYS 92 HE1 LYS 92 -6.616 -13.663 7.310 608 HZ1 LYS 92 HZ1 LYS 92 -6.144 -13.388 9.683 609 HZ2 LYS 92 HZ2 LYS 92 -5.474 -11.867 9.383 610 HZ3 LYS 92 HZ3 LYS 92 -4.750 -13.251 8.738 Start of MODEL 13 1 H MET 20 H MET 20 -7.439 -5.176 11.402 2 HA MET 20 HA MET 20 -8.188 -5.098 14.261 3 HB2 MET 20 HB2 MET 20 -6.033 -3.923 13.791 4 HB3 MET 20 HB1 MET 20 -6.824 -2.964 12.547 5 HG2 MET 20 HG2 MET 20 -8.210 -1.871 14.221 6 HG3 MET 20 HG1 MET 20 -7.543 -2.903 15.493 7 HE1 MET 20 HE1 MET 20 -7.584 0.326 15.686 8 HE2 MET 20 HE2 MET 20 -5.959 0.629 16.311 9 HE3 MET 20 HE3 MET 20 -6.914 -0.709 16.942 10 H ALA 21 HN ALA 21 -10.330 -4.731 14.422 11 HA ALA 21 HA ALA 21 -12.065 -4.525 12.236 12 HB1 ALA 21 HB1 ALA 21 -12.694 -5.538 14.386 13 HB2 ALA 21 HB2 ALA 21 -13.855 -4.296 13.903 14 HB3 ALA 21 HB3 ALA 21 -12.654 -3.950 15.153 15 H ALA 22 HN ALA 22 -12.676 -2.890 11.048 16 HA ALA 22 HA ALA 22 -13.169 -0.901 10.189 17 HB1 ALA 22 HB1 ALA 22 -13.724 1.038 11.558 18 HB2 ALA 22 HB2 ALA 22 -13.047 0.253 12.987 19 HB3 ALA 22 HB3 ALA 22 -14.481 -0.419 12.207 20 H ALA 23 HN ALA 23 -10.699 -0.356 12.711 21 HA ALA 23 HA ALA 23 -9.322 1.655 11.213 22 HB1 ALA 23 HB1 ALA 23 -9.452 1.721 13.661 23 HB2 ALA 23 HB2 ALA 23 -7.774 1.699 13.115 24 HB3 ALA 23 HB3 ALA 23 -8.513 0.230 13.762 25 H VAL 24 HN VAL 24 -8.985 0.358 9.297 26 HA VAL 24 HA VAL 24 -6.340 -0.986 9.362 27 HB VAL 24 HB VAL 24 -6.928 -2.097 7.216 28 HG11 VAL 24 HG11 VAL 24 -7.321 -3.331 9.296 29 HG12 VAL 24 HG12 VAL 24 -8.521 -3.774 8.080 30 HG13 VAL 24 HG13 VAL 24 -8.961 -2.681 9.399 31 HG21 VAL 24 HG21 VAL 24 -8.563 -0.478 6.323 32 HG22 VAL 24 HG22 VAL 24 -9.718 -0.930 7.579 33 HG23 VAL 24 HG23 VAL 24 -9.252 -2.104 6.344 34 HA PRO 25 HA PRO 25 -4.892 2.487 6.754 35 HB2 PRO 25 HB2 PRO 25 -3.562 0.349 5.082 36 HB3 PRO 25 HB1 PRO 25 -2.880 1.843 5.752 37 HG2 PRO 25 HG2 PRO 25 -2.337 -0.512 6.880 38 HG3 PRO 25 HG1 PRO 25 -2.617 0.924 7.883 39 HD2 PRO 25 HD2 PRO 25 -4.465 -1.390 7.341 40 HD3 PRO 25 HD1 PRO 25 -4.225 -0.467 8.841 41 H GLN 26 HN GLN 26 -6.143 3.466 5.273 42 HA GLN 26 HA GLN 26 -7.519 1.985 3.138 43 HB2 GLN 26 HB2 GLN 26 -8.532 4.211 2.600 44 HB3 GLN 26 HB1 GLN 26 -8.799 3.744 4.279 45 HG2 GLN 26 HG2 GLN 26 -6.959 5.261 4.975 46 HG3 GLN 26 HG1 GLN 26 -6.733 5.739 3.289 47 HE21 GLN 26 HE21 GLN 26 -8.825 5.949 6.083 48 HE22 GLN 26 HE22 GLN 26 -9.790 7.262 5.514 49 H ARG 27 HN ARG 27 -7.286 3.980 1.090 50 HA ARG 27 HA ARG 27 -4.862 3.412 -0.178 51 HB2 ARG 27 HB2 ARG 27 -5.446 5.054 -1.827 52 HB3 ARG 27 HB1 ARG 27 -6.929 4.261 -1.324 53 HG2 ARG 27 HG2 ARG 27 -6.052 6.993 -0.304 54 HG3 ARG 27 HG1 ARG 27 -7.094 6.758 -1.709 55 HD2 ARG 27 HD2 ARG 27 -7.701 5.965 1.160 56 HD3 ARG 27 HD1 ARG 27 -8.444 7.281 0.249 57 HE ARG 27 HE ARG 27 -8.873 4.917 -1.178 58 HH11 ARG 27 HH11 ARG 27 -9.928 6.329 1.877 59 HH12 ARG 27 HH12 ARG 27 -11.412 5.434 1.891 60 HH21 ARG 27 HH21 ARG 27 -10.791 3.763 -1.113 61 HH22 ARG 27 HH22 ARG 27 -11.901 3.988 0.200 62 H ALA 28 HN ALA 28 -3.036 4.749 -0.645 63 HA ALA 28 HA ALA 28 -2.316 6.649 1.510 64 HB1 ALA 28 HB1 ALA 28 0.028 6.057 1.039 65 HB2 ALA 28 HB2 ALA 28 -0.498 4.973 -0.255 66 HB3 ALA 28 HB3 ALA 28 -0.919 4.618 1.423 67 H TRP 29 HN TRP 29 -2.278 6.106 -1.995 68 HA TRP 29 HA TRP 29 -1.702 8.972 -2.510 69 HB2 TRP 29 HB2 TRP 29 -0.716 6.711 -4.312 70 HB3 TRP 29 HB1 TRP 29 -0.236 8.406 -4.337 71 HD1 TRP 29 HD1 TRP 29 1.320 9.206 -2.109 72 HE1 TRP 29 HE1 TRP 29 3.069 7.843 -0.800 73 HE3 TRP 29 HE3 TRP 29 -0.031 4.497 -3.584 74 HZ2 TRP 29 HZ2 TRP 29 3.785 5.139 -0.443 75 HZ3 TRP 29 HZ3 TRP 29 1.242 2.573 -2.723 76 HH2 TRP 29 HH2 TRP 29 3.113 2.893 -1.181 77 H THR 30 HN THR 30 -2.819 9.847 -4.300 78 HA THR 30 HA THR 30 -5.318 8.478 -4.959 79 HB THR 30 HB THR 30 -5.800 10.712 -6.153 80 HG1 THR 30 HG1 THR 30 -3.774 11.898 -4.647 81 HG21 THR 30 HG21 THR 30 -6.250 11.937 -4.059 82 HG22 THR 30 HG22 THR 30 -5.191 10.835 -3.178 83 HG23 THR 30 HG23 THR 30 -6.689 10.236 -3.893 84 H VAL 31 HN VAL 31 -6.054 8.799 -7.381 85 HA VAL 31 HA VAL 31 -4.503 7.001 -8.868 86 HB VAL 31 HB VAL 31 -6.904 7.150 -9.246 87 HG11 VAL 31 HG11 VAL 31 -7.969 9.007 -10.481 88 HG12 VAL 31 HG12 VAL 31 -6.441 9.889 -10.469 89 HG13 VAL 31 HG13 VAL 31 -7.272 9.550 -8.948 90 HG21 VAL 31 HG21 VAL 31 -6.989 7.041 -11.715 91 HG22 VAL 31 HG22 VAL 31 -5.555 6.223 -11.097 92 HG23 VAL 31 HG23 VAL 31 -5.407 7.827 -11.815 93 H GLU 32 HN GLU 32 -4.605 10.508 -8.965 94 HA GLU 32 HA GLU 32 -2.984 10.943 -11.245 95 HB2 GLU 32 HB2 GLU 32 -2.806 13.258 -10.436 96 HB3 GLU 32 HB1 GLU 32 -4.459 12.674 -10.301 97 HG2 GLU 32 HG2 GLU 32 -4.048 12.254 -7.861 98 HG3 GLU 32 HG1 GLU 32 -2.460 13.000 -8.038 99 H GLN 33 HN GLN 33 -2.186 10.613 -7.775 100 HA GLN 33 HA GLN 33 0.599 11.156 -8.005 101 HB2 GLN 33 HB2 GLN 33 -0.970 9.724 -5.840 102 HB3 GLN 33 HB1 GLN 33 0.748 10.087 -5.713 103 HG2 GLN 33 HG2 GLN 33 -1.454 12.152 -6.005 104 HG3 GLN 33 HG1 GLN 33 -0.695 11.683 -4.487 105 HE21 GLN 33 HE21 GLN 33 0.110 13.711 -4.011 106 HE22 GLN 33 HE22 GLN 33 1.361 14.487 -4.910 107 H LEU 34 HN LEU 34 -1.321 8.241 -8.250 108 HA LEU 34 HA LEU 34 0.761 6.313 -8.110 109 HB2 LEU 34 HB2 LEU 34 -1.931 6.184 -9.494 110 HB3 LEU 34 HB1 LEU 34 -0.897 4.795 -9.186 111 HG LEU 34 HG LEU 34 -2.084 6.525 -6.984 112 HD11 LEU 34 HD11 LEU 34 -3.081 3.879 -8.054 113 HD12 LEU 34 HD12 LEU 34 -3.841 5.455 -8.297 114 HD13 LEU 34 HD13 LEU 34 -3.726 4.777 -6.679 115 HD21 LEU 34 HD21 LEU 34 -0.759 3.791 -6.862 116 HD22 LEU 34 HD22 LEU 34 -1.479 4.658 -5.503 117 HD23 LEU 34 HD23 LEU 34 -0.049 5.309 -6.300 118 H ARG 35 HN ARG 35 -0.875 7.915 -10.834 119 HA ARG 35 HA ARG 35 0.775 6.642 -12.844 120 HB2 ARG 35 HB2 ARG 35 -1.201 8.951 -13.107 121 HB3 ARG 35 HB1 ARG 35 -0.482 8.052 -14.447 122 HG2 ARG 35 HG2 ARG 35 -1.587 5.973 -13.602 123 HG3 ARG 35 HG1 ARG 35 -2.366 6.930 -12.336 124 HD2 ARG 35 HD2 ARG 35 -3.489 8.278 -14.109 125 HD3 ARG 35 HD1 ARG 35 -2.751 7.243 -15.337 126 HE ARG 35 HE ARG 35 -5.042 6.664 -13.678 127 HH11 ARG 35 HH11 ARG 35 -2.472 5.086 -15.493 128 HH12 ARG 35 HH12 ARG 35 -3.414 3.655 -15.780 129 HH21 ARG 35 HH21 ARG 35 -6.230 4.781 -14.048 130 HH22 ARG 35 HH22 ARG 35 -5.526 3.484 -14.962 131 H SER 36 HN SER 36 1.160 9.372 -10.799 132 HA SER 36 HA SER 36 2.635 11.147 -12.440 133 HB2 SER 36 HB2 SER 36 1.725 11.933 -10.321 134 HB3 SER 36 HB1 SER 36 2.708 10.782 -9.416 135 HG SER 36 HG SER 36 3.349 13.244 -10.281 136 H GLU 37 HN GLU 37 4.731 11.350 -12.891 137 HA GLU 37 HA GLU 37 6.460 9.109 -12.970 138 HB2 GLU 37 HB2 GLU 37 8.078 10.708 -13.960 139 HB3 GLU 37 HB1 GLU 37 6.478 10.850 -14.685 140 HG2 GLU 37 HG2 GLU 37 6.048 12.827 -13.182 141 HG3 GLU 37 HG1 GLU 37 7.724 12.723 -12.646 142 H GLN 38 HN GLN 38 5.931 11.487 -10.543 143 HA GLN 38 HA GLN 38 8.520 11.583 -9.332 144 HB2 GLN 38 HB2 GLN 38 5.777 12.334 -8.246 145 HB3 GLN 38 HB1 GLN 38 7.311 12.747 -7.482 146 HG2 GLN 38 HG2 GLN 38 7.934 14.164 -9.342 147 HG3 GLN 38 HG1 GLN 38 6.513 13.663 -10.262 148 HE21 GLN 38 HE21 GLN 38 5.786 15.823 -10.449 149 HE22 GLN 38 HE22 GLN 38 5.122 16.679 -9.110 150 H LEU 39 HN LEU 39 5.449 9.936 -8.479 151 HA LEU 39 HA LEU 39 6.459 8.697 -6.105 152 HB2 LEU 39 HB2 LEU 39 4.054 9.220 -6.471 153 HB3 LEU 39 HB1 LEU 39 4.001 8.032 -7.761 154 HG LEU 39 HG LEU 39 4.561 6.248 -6.037 155 HD11 LEU 39 HD11 LEU 39 5.564 7.658 -4.313 156 HD12 LEU 39 HD12 LEU 39 4.222 6.725 -3.665 157 HD13 LEU 39 HD13 LEU 39 4.007 8.440 -4.020 158 HD21 LEU 39 HD21 LEU 39 2.284 6.079 -5.147 159 HD22 LEU 39 HD22 LEU 39 2.267 6.559 -6.845 160 HD23 LEU 39 HD23 LEU 39 1.973 7.761 -5.585 161 HA PRO 40 HA PRO 40 8.703 5.412 -8.322 162 HB2 PRO 40 HB2 PRO 40 8.965 4.147 -5.615 163 HB3 PRO 40 HB1 PRO 40 10.231 4.630 -6.756 164 HG2 PRO 40 HG2 PRO 40 9.796 6.043 -4.524 165 HG3 PRO 40 HG1 PRO 40 10.203 6.865 -6.047 166 HD2 PRO 40 HD2 PRO 40 7.484 6.500 -4.756 167 HD3 PRO 40 HD1 PRO 40 8.195 7.963 -5.478 168 H LYS 41 HN LYS 41 8.111 3.499 -9.180 169 HA LYS 41 HA LYS 41 5.446 2.548 -8.828 170 HB2 LYS 41 HB2 LYS 41 5.944 1.041 -10.649 171 HB3 LYS 41 HB1 LYS 41 6.637 2.609 -11.012 172 HG2 LYS 41 HG2 LYS 41 8.868 1.761 -10.372 173 HG3 LYS 41 HG1 LYS 41 8.164 0.175 -10.033 174 HD2 LYS 41 HD2 LYS 41 8.235 1.592 -12.730 175 HD3 LYS 41 HD1 LYS 41 9.211 0.200 -12.254 176 HE2 LYS 41 HE2 LYS 41 7.115 -1.140 -12.017 177 HE3 LYS 41 HE1 LYS 41 6.188 0.255 -12.586 178 HZ1 LYS 41 HZ1 LYS 41 7.312 0.149 -14.671 179 HZ2 LYS 41 HZ2 LYS 41 6.692 -1.382 -14.324 180 HZ3 LYS 41 HZ3 LYS 41 8.344 -1.077 -14.126 181 H LYS 42 HN LYS 42 8.617 1.448 -7.771 182 HA LYS 42 HA LYS 42 7.807 -1.079 -6.716 183 HB2 LYS 42 HB2 LYS 42 10.029 -1.000 -5.517 184 HB3 LYS 42 HB1 LYS 42 10.123 -0.791 -7.263 185 HG2 LYS 42 HG2 LYS 42 10.350 1.666 -6.935 186 HG3 LYS 42 HG1 LYS 42 10.347 1.417 -5.182 187 HD2 LYS 42 HD2 LYS 42 12.412 0.144 -5.295 188 HD3 LYS 42 HD1 LYS 42 12.364 0.119 -7.058 189 HE2 LYS 42 HE2 LYS 42 14.022 1.733 -6.266 190 HE3 LYS 42 HE1 LYS 42 12.712 2.564 -7.105 191 HZ1 LYS 42 HZ1 LYS 42 13.379 3.680 -5.066 192 HZ2 LYS 42 HZ2 LYS 42 12.966 2.312 -4.160 193 HZ3 LYS 42 HZ3 LYS 42 11.771 3.167 -4.988 194 H ASP 43 HN ASP 43 7.786 2.203 -5.462 195 HA ASP 43 HA ASP 43 7.327 1.560 -2.717 196 HB2 ASP 43 HB2 ASP 43 8.144 3.781 -3.486 197 HB3 ASP 43 HB1 ASP 43 6.588 4.085 -4.260 198 H ILE 44 HN ILE 44 5.206 2.060 -5.529 199 HA ILE 44 HA ILE 44 2.701 1.942 -4.178 200 HB ILE 44 HB ILE 44 3.286 1.146 -7.072 201 HG12 ILE 44 HG12 ILE 44 2.475 3.864 -5.937 202 HG13 ILE 44 HG11 ILE 44 4.048 3.467 -6.621 203 HG21 ILE 44 HG21 ILE 44 0.895 1.604 -7.493 204 HG22 ILE 44 HG22 ILE 44 0.656 1.977 -5.785 205 HG23 ILE 44 HG23 ILE 44 1.086 0.338 -6.275 206 HD11 ILE 44 HD11 ILE 44 2.966 3.087 -8.807 207 HD12 ILE 44 HD12 ILE 44 2.750 4.730 -8.198 208 HD13 ILE 44 HD13 ILE 44 1.421 3.574 -8.099 209 H ILE 45 HN ILE 45 4.543 -0.530 -5.993 210 HA ILE 45 HA ILE 45 2.919 -2.776 -5.601 211 HB ILE 45 HB ILE 45 5.956 -2.630 -5.909 212 HG12 ILE 45 HG12 ILE 45 3.851 -3.206 -8.033 213 HG13 ILE 45 HG11 ILE 45 4.521 -1.605 -7.743 214 HG21 ILE 45 HG21 ILE 45 4.154 -5.056 -6.283 215 HG22 ILE 45 HG22 ILE 45 5.347 -4.832 -5.001 216 HG23 ILE 45 HG23 ILE 45 5.874 -4.984 -6.677 217 HD11 ILE 45 HD11 ILE 45 6.726 -2.400 -8.383 218 HD12 ILE 45 HD12 ILE 45 5.542 -2.706 -9.658 219 HD13 ILE 45 HD13 ILE 45 6.080 -4.025 -8.618 220 H LYS 46 HN LYS 46 5.521 -1.459 -3.583 221 HA LYS 46 HA LYS 46 5.785 -3.469 -1.666 222 HB2 LYS 46 HB2 LYS 46 7.367 -1.605 -1.860 223 HB3 LYS 46 HB1 LYS 46 6.126 -0.461 -1.359 224 HG2 LYS 46 HG2 LYS 46 6.059 -1.476 0.881 225 HG3 LYS 46 HG1 LYS 46 7.248 -2.685 0.385 226 HD2 LYS 46 HD2 LYS 46 7.720 0.321 0.550 227 HD3 LYS 46 HD1 LYS 46 8.281 -0.877 1.721 228 HE2 LYS 46 HE2 LYS 46 9.641 -1.944 -0.096 229 HE3 LYS 46 HE1 LYS 46 9.143 -0.649 -1.185 230 HZ1 LYS 46 HZ1 LYS 46 10.222 0.934 0.253 231 HZ2 LYS 46 HZ2 LYS 46 11.318 -0.264 -0.224 232 HZ3 LYS 46 HZ3 LYS 46 10.663 -0.283 1.332 233 H PHE 47 HN PHE 47 3.637 -0.635 -1.719 234 HA PHE 47 HA PHE 47 2.346 -1.069 0.755 235 HB2 PHE 47 HB2 PHE 47 2.232 1.108 -0.399 236 HB3 PHE 47 HB1 PHE 47 1.344 0.372 -1.727 237 HD1 PHE 47 HD2 PHE 47 0.752 -0.197 1.903 238 HD2 PHE 47 HD1 PHE 47 -0.688 1.659 -1.654 239 HE1 PHE 47 HE2 PHE 47 -1.338 0.374 3.059 240 HE2 PHE 47 HE1 PHE 47 -2.787 2.229 -0.499 241 HZ PHE 47 HZ PHE 47 -3.112 1.587 1.866 242 H LEU 48 HN LEU 48 1.518 -2.046 -2.565 243 HA LEU 48 HA LEU 48 -1.055 -3.094 -1.938 244 HB2 LEU 48 HB2 LEU 48 0.693 -3.575 -4.378 245 HB3 LEU 48 HB1 LEU 48 -1.019 -3.958 -4.263 246 HG LEU 48 HG LEU 48 0.168 -1.154 -4.148 247 HD11 LEU 48 HD11 LEU 48 0.332 -2.144 -6.387 248 HD12 LEU 48 HD12 LEU 48 -0.844 -0.833 -6.365 249 HD13 LEU 48 HD13 LEU 48 -1.396 -2.513 -6.375 250 HD21 LEU 48 HD21 LEU 48 -1.872 -1.287 -2.802 251 HD22 LEU 48 HD22 LEU 48 -2.752 -1.997 -4.158 252 HD23 LEU 48 HD23 LEU 48 -2.150 -0.341 -4.264 253 H GLN 49 HN GLN 49 2.168 -4.566 -2.027 254 HA GLN 49 HA GLN 49 1.094 -7.273 -1.854 255 HB2 GLN 49 HB2 GLN 49 3.322 -8.109 -1.965 256 HB3 GLN 49 HB1 GLN 49 3.193 -6.817 -3.150 257 HG2 GLN 49 HG2 GLN 49 4.452 -5.309 -1.741 258 HG3 GLN 49 HG1 GLN 49 4.436 -6.463 -0.409 259 HE21 GLN 49 HE21 GLN 49 5.079 -7.196 -3.832 260 HE22 GLN 49 HE22 GLN 49 6.705 -7.711 -3.584 261 H GLU 50 HN GLU 50 2.562 -4.913 0.302 262 HA GLU 50 HA GLU 50 2.889 -6.601 2.587 263 HB2 GLU 50 HB2 GLU 50 4.117 -4.467 2.310 264 HB3 GLU 50 HB1 GLU 50 2.605 -3.569 2.357 265 HG2 GLU 50 HG2 GLU 50 3.803 -3.337 4.457 266 HG3 GLU 50 HG1 GLU 50 2.287 -4.196 4.712 267 H HIS 51 HN HIS 51 0.310 -4.567 1.355 268 HA HIS 51 HA HIS 51 -1.333 -4.861 3.769 269 HB2 HIS 51 HB2 HIS 51 -0.912 -2.630 2.544 270 HB3 HIS 51 HB1 HIS 51 -2.004 -3.221 1.296 271 HD1 HIS 51 HD1 HIS 51 -2.727 -3.915 4.918 272 HD2 HIS 51 HD2 HIS 51 -3.887 -1.253 1.942 273 HE1 HIS 51 HE1 HIS 51 -4.686 -2.677 5.851 274 HE2 HIS 51 HE2 HIS 51 -5.498 -1.252 3.952 275 H GLY 52 HN GLY 52 -1.674 -5.319 0.224 276 HA2 GLY 52 HA2 GLY 52 -4.039 -6.854 0.232 277 HA3 GLY 52 HA1 GLY 52 -2.833 -6.823 -1.042 278 H SER 53 HN SER 53 -4.418 -9.044 0.172 279 HA SER 53 HA SER 53 -2.433 -10.770 1.446 280 HB2 SER 53 HB2 SER 53 -4.745 -10.664 2.345 281 HB3 SER 53 HB1 SER 53 -5.383 -11.241 0.808 282 HG SER 53 HG SER 53 -4.929 -12.773 2.671 283 H ASP 54 HN ASP 54 -2.443 -13.154 0.623 284 HA ASP 54 HA ASP 54 -0.936 -13.100 -1.733 285 HB2 ASP 54 HB2 ASP 54 -2.128 -15.527 -0.329 286 HB3 ASP 54 HB1 ASP 54 -0.927 -15.622 -1.616 287 H SER 55 HN SER 55 -4.282 -14.022 -1.234 288 HA SER 55 HA SER 55 -4.783 -15.325 -3.691 289 HB2 SER 55 HB2 SER 55 -6.263 -15.557 -1.728 290 HB3 SER 55 HB1 SER 55 -6.715 -13.860 -1.844 291 HG SER 55 HG SER 55 -7.714 -14.311 -3.831 292 H PHE 56 HN PHE 56 -4.906 -11.916 -2.763 293 HA PHE 56 HA PHE 56 -5.837 -10.916 -5.307 294 HB2 PHE 56 HB2 PHE 56 -6.171 -9.570 -3.293 295 HB3 PHE 56 HB1 PHE 56 -4.447 -9.582 -2.936 296 HD1 PHE 56 HD1 PHE 56 -6.948 -8.355 -5.431 297 HD2 PHE 56 HD2 PHE 56 -3.049 -7.848 -3.769 298 HE1 PHE 56 HE1 PHE 56 -6.674 -6.270 -6.688 299 HE2 PHE 56 HE2 PHE 56 -2.785 -5.760 -5.038 300 HZ PHE 56 HZ PHE 56 -4.596 -4.980 -6.494 301 H LEU 57 HN LEU 57 -2.690 -11.396 -3.730 302 HA LEU 57 HA LEU 57 -1.136 -9.835 -5.511 303 HB2 LEU 57 HB2 LEU 57 -0.203 -12.044 -3.653 304 HB3 LEU 57 HB1 LEU 57 0.837 -10.861 -4.441 305 HG LEU 57 HG LEU 57 -1.182 -10.367 -2.234 306 HD11 LEU 57 HD11 LEU 57 1.803 -9.898 -2.347 307 HD12 LEU 57 HD12 LEU 57 0.994 -11.242 -1.534 308 HD13 LEU 57 HD13 LEU 57 0.739 -9.593 -0.967 309 HD21 LEU 57 HD21 LEU 57 -0.676 -7.984 -2.366 310 HD22 LEU 57 HD22 LEU 57 -1.397 -8.542 -3.871 311 HD23 LEU 57 HD23 LEU 57 0.342 -8.249 -3.784 312 H ALA 58 HN ALA 58 -1.944 -13.274 -5.539 313 HA ALA 58 HA ALA 58 -0.068 -14.075 -7.524 314 HB1 ALA 58 HB1 ALA 58 -1.430 -16.117 -7.713 315 HB2 ALA 58 HB2 ALA 58 -2.722 -15.354 -6.781 316 HB3 ALA 58 HB3 ALA 58 -1.169 -15.691 -6.018 317 H GLU 59 HN GLU 59 -3.501 -13.167 -7.685 318 HA GLU 59 HA GLU 59 -3.875 -13.529 -10.459 319 HB2 GLU 59 HB2 GLU 59 -5.370 -11.536 -8.704 320 HB3 GLU 59 HB1 GLU 59 -5.954 -12.301 -10.184 321 HG2 GLU 59 HG2 GLU 59 -5.465 -13.622 -7.499 322 HG3 GLU 59 HG1 GLU 59 -7.023 -13.305 -8.249 323 H HIS 60 HN HIS 60 -2.622 -10.809 -8.599 324 HA HIS 60 HA HIS 60 -2.398 -9.137 -11.024 325 HB2 HIS 60 HB2 HIS 60 -2.367 -8.378 -8.080 326 HB3 HIS 60 HB1 HIS 60 -2.040 -7.237 -9.381 327 HD1 HIS 60 HD1 HIS 60 -4.020 -5.977 -10.153 328 HD2 HIS 60 HD2 HIS 60 -5.105 -9.580 -8.409 329 HE1 HIS 60 HE1 HIS 60 -6.526 -5.969 -10.118 330 HE2 HIS 60 HE2 HIS 60 -7.151 -8.252 -9.265 331 H LYS 61 HN LYS 61 -0.534 -11.293 -9.430 332 HA LYS 61 HA LYS 61 1.672 -11.822 -9.379 333 HB2 LYS 61 HB2 LYS 61 1.818 -9.872 -11.712 334 HB3 LYS 61 HB1 LYS 61 3.075 -11.038 -11.302 335 HG2 LYS 61 HG2 LYS 61 0.232 -11.703 -12.150 336 HG3 LYS 61 HG1 LYS 61 1.673 -11.816 -13.168 337 HD2 LYS 61 HD2 LYS 61 2.589 -13.578 -11.689 338 HD3 LYS 61 HD1 LYS 61 1.180 -13.436 -10.633 339 HE2 LYS 61 HE2 LYS 61 1.147 -14.360 -13.528 340 HE3 LYS 61 HE1 LYS 61 0.959 -15.380 -12.102 341 HZ1 LYS 61 HZ1 LYS 61 -0.896 -13.218 -12.933 342 HZ2 LYS 61 HZ2 LYS 61 -1.074 -14.195 -11.562 343 HZ3 LYS 61 HZ3 LYS 61 -1.173 -14.883 -13.101 344 H LEU 62 HN LEU 62 0.850 -9.603 -7.651 345 HA LEU 62 HA LEU 62 3.102 -7.743 -7.534 346 HB2 LEU 62 HB2 LEU 62 0.650 -7.999 -5.760 347 HB3 LEU 62 HB1 LEU 62 1.851 -6.713 -5.649 348 HG LEU 62 HG LEU 62 0.006 -7.218 -8.017 349 HD11 LEU 62 HD11 LEU 62 -0.055 -5.037 -5.930 350 HD12 LEU 62 HD12 LEU 62 -1.187 -6.385 -6.075 351 HD13 LEU 62 HD13 LEU 62 -1.101 -5.168 -7.340 352 HD21 LEU 62 HD21 LEU 62 0.839 -5.070 -8.913 353 HD22 LEU 62 HD22 LEU 62 2.131 -6.257 -8.786 354 HD23 LEU 62 HD23 LEU 62 2.009 -4.961 -7.593 355 H LEU 63 HN LEU 63 2.431 -10.815 -6.292 356 HA LEU 63 HA LEU 63 3.650 -10.646 -3.728 357 HB2 LEU 63 HB2 LEU 63 3.848 -13.204 -3.981 358 HB3 LEU 63 HB1 LEU 63 2.248 -12.496 -3.987 359 HG LEU 63 HG LEU 63 2.214 -12.714 -6.510 360 HD11 LEU 63 HD11 LEU 63 3.756 -14.280 -7.606 361 HD12 LEU 63 HD12 LEU 63 4.728 -14.360 -6.135 362 HD13 LEU 63 HD13 LEU 63 4.585 -12.838 -7.019 363 HD21 LEU 63 HD21 LEU 63 2.509 -15.285 -4.929 364 HD22 LEU 63 HD22 LEU 63 1.708 -15.120 -6.496 365 HD23 LEU 63 HD23 LEU 63 1.050 -14.305 -5.078 366 H GLY 64 HN GLY 64 5.654 -11.852 -3.131 367 HA2 GLY 64 HA2 GLY 64 7.834 -12.505 -3.369 368 HA3 GLY 64 HA1 GLY 64 7.674 -12.356 -5.111 369 H ASN 65 HN ASN 65 9.711 -11.426 -5.248 370 HA ASN 65 HA ASN 65 10.652 -9.234 -3.736 371 HB2 ASN 65 HB2 ASN 65 11.563 -10.196 -6.487 372 HB3 ASN 65 HB1 ASN 65 12.466 -9.100 -5.441 373 HD21 ASN 65 HD21 ASN 65 13.437 -9.931 -3.533 374 HD22 ASN 65 HD22 ASN 65 13.693 -11.626 -3.330 375 H ILE 66 HN ILE 66 10.215 -7.157 -3.878 376 HA ILE 66 HA ILE 66 8.227 -5.997 -5.484 377 HB ILE 66 HB ILE 66 10.509 -4.531 -4.074 378 HG12 ILE 66 HG12 ILE 66 7.792 -5.288 -2.918 379 HG13 ILE 66 HG11 ILE 66 9.283 -6.159 -2.578 380 HG21 ILE 66 HG21 ILE 66 7.708 -3.575 -4.792 381 HG22 ILE 66 HG22 ILE 66 9.208 -3.076 -5.581 382 HG23 ILE 66 HG23 ILE 66 8.913 -2.650 -3.894 383 HD11 ILE 66 HD11 ILE 66 8.675 -4.661 -0.772 384 HD12 ILE 66 HD12 ILE 66 8.721 -3.280 -1.869 385 HD13 ILE 66 HD13 ILE 66 10.203 -4.171 -1.503 386 H LYS 67 HN LYS 67 11.784 -5.788 -5.712 387 HA LYS 67 HA LYS 67 12.205 -4.217 -7.956 388 HB2 LYS 67 HB2 LYS 67 13.673 -6.691 -6.963 389 HB3 LYS 67 HB1 LYS 67 14.314 -5.654 -8.235 390 HG2 LYS 67 HG2 LYS 67 14.856 -3.945 -6.776 391 HG3 LYS 67 HG1 LYS 67 13.572 -4.351 -5.638 392 HD2 LYS 67 HD2 LYS 67 15.828 -4.788 -4.704 393 HD3 LYS 67 HD1 LYS 67 14.839 -6.242 -4.784 394 HE2 LYS 67 HE2 LYS 67 17.102 -6.782 -5.465 395 HE3 LYS 67 HE1 LYS 67 16.043 -6.900 -6.869 396 HZ1 LYS 67 HZ1 LYS 67 16.800 -4.690 -7.538 397 HZ2 LYS 67 HZ2 LYS 67 18.074 -5.793 -7.439 398 HZ3 LYS 67 HZ3 LYS 67 17.855 -4.640 -6.220 399 H ASN 68 HN ASN 68 11.549 -7.722 -7.833 400 HA ASN 68 HA ASN 68 11.794 -8.263 -10.606 401 HB2 ASN 68 HB2 ASN 68 11.986 -10.077 -9.001 402 HB3 ASN 68 HB1 ASN 68 10.365 -9.787 -8.390 403 HD21 ASN 68 HD21 ASN 68 8.592 -10.582 -9.550 404 HD22 ASN 68 HD22 ASN 68 8.756 -11.674 -10.876 405 H VAL 69 HN VAL 69 8.975 -7.426 -8.575 406 HA VAL 69 HA VAL 69 7.045 -7.680 -10.688 407 HB VAL 69 HB VAL 69 6.720 -5.978 -8.171 408 HG11 VAL 69 HG11 VAL 69 4.306 -6.437 -8.468 409 HG12 VAL 69 HG12 VAL 69 4.648 -7.372 -9.925 410 HG13 VAL 69 HG13 VAL 69 4.977 -5.637 -9.893 411 HG21 VAL 69 HG21 VAL 69 5.740 -7.957 -7.054 412 HG22 VAL 69 HG22 VAL 69 7.427 -8.241 -7.480 413 HG23 VAL 69 HG23 VAL 69 6.144 -8.959 -8.455 414 H ALA 70 HN ALA 70 9.154 -5.119 -9.547 415 HA ALA 70 HA ALA 70 7.852 -2.928 -10.887 416 HB1 ALA 70 HB1 ALA 70 10.615 -3.035 -9.632 417 HB2 ALA 70 HB2 ALA 70 9.120 -2.597 -8.799 418 HB3 ALA 70 HB3 ALA 70 9.734 -1.577 -10.105 419 H LYS 71 HN LYS 71 10.076 -5.338 -11.919 420 HA LYS 71 HA LYS 71 11.052 -3.718 -14.169 421 HB2 LYS 71 HB2 LYS 71 12.661 -5.425 -14.590 422 HB3 LYS 71 HB1 LYS 71 12.623 -5.196 -12.848 423 HG2 LYS 71 HG2 LYS 71 11.232 -7.244 -12.636 424 HG3 LYS 71 HG1 LYS 71 11.342 -7.492 -14.381 425 HD2 LYS 71 HD2 LYS 71 13.651 -7.500 -12.393 426 HD3 LYS 71 HD1 LYS 71 12.956 -8.916 -13.188 427 HE2 LYS 71 HE2 LYS 71 13.737 -8.074 -15.376 428 HE3 LYS 71 HE1 LYS 71 14.380 -6.623 -14.602 429 HZ1 LYS 71 HZ1 LYS 71 15.907 -8.012 -13.366 430 HZ2 LYS 71 HZ2 LYS 71 16.099 -8.241 -15.031 431 HZ3 LYS 71 HZ3 LYS 71 15.287 -9.401 -14.108 432 H THR 72 HN THR 72 8.480 -5.888 -13.507 433 HA THR 72 HA THR 72 8.252 -6.726 -16.346 434 HB THR 72 HB THR 72 8.682 -8.602 -14.733 435 HG1 THR 72 HG1 THR 72 7.079 -8.571 -16.720 436 HG21 THR 72 HG21 THR 72 5.906 -7.970 -13.645 437 HG22 THR 72 HG22 THR 72 7.421 -7.761 -12.764 438 HG23 THR 72 HG23 THR 72 6.892 -9.377 -13.227 439 H ALA 73 HN ALA 73 6.527 -5.417 -13.584 440 HA ALA 73 HA ALA 73 3.971 -5.262 -15.031 441 HB1 ALA 73 HB1 ALA 73 3.901 -6.287 -12.793 442 HB2 ALA 73 HB2 ALA 73 2.993 -4.774 -12.817 443 HB3 ALA 73 HB3 ALA 73 4.600 -4.830 -12.085 444 H ASN 74 HN ASN 74 3.478 -3.387 -15.986 445 HA ASN 74 HA ASN 74 5.117 -1.037 -15.718 446 HB2 ASN 74 HB2 ASN 74 3.721 -0.069 -17.486 447 HB3 ASN 74 HB1 ASN 74 4.191 -1.706 -17.918 448 HD21 ASN 74 HD21 ASN 74 1.928 -0.025 -18.833 449 HD22 ASN 74 HD22 ASN 74 0.512 -0.979 -18.560 450 H LYS 75 HN LYS 75 3.939 1.170 -15.618 451 HA LYS 75 HA LYS 75 3.170 1.533 -12.939 452 HB2 LYS 75 HB2 LYS 75 4.254 3.194 -14.691 453 HB3 LYS 75 HB1 LYS 75 2.594 3.626 -15.066 454 HG2 LYS 75 HG2 LYS 75 3.364 5.224 -13.475 455 HG3 LYS 75 HG1 LYS 75 2.276 4.140 -12.592 456 HD2 LYS 75 HD2 LYS 75 4.226 2.890 -11.713 457 HD3 LYS 75 HD1 LYS 75 5.321 3.945 -12.611 458 HE2 LYS 75 HE2 LYS 75 3.521 4.712 -10.300 459 HE3 LYS 75 HE1 LYS 75 5.283 4.648 -10.305 460 HZ1 LYS 75 HZ1 LYS 75 4.573 6.902 -10.490 461 HZ2 LYS 75 HZ2 LYS 75 3.548 6.544 -11.786 462 HZ3 LYS 75 HZ3 LYS 75 5.226 6.449 -11.983 463 H ASP 76 HN ASP 76 1.290 1.379 -15.906 464 HA ASP 76 HA ASP 76 -1.227 2.217 -14.951 465 HB2 ASP 76 HB2 ASP 76 -0.655 2.170 -17.352 466 HB3 ASP 76 HB1 ASP 76 -0.536 0.413 -17.311 467 H HIS 77 HN HIS 77 0.289 -0.996 -15.150 468 HA HIS 77 HA HIS 77 -1.863 -2.639 -14.383 469 HB2 HIS 77 HB2 HIS 77 0.157 -3.606 -15.324 470 HB3 HIS 77 HB1 HIS 77 1.149 -2.935 -14.041 471 HD1 HIS 77 HD1 HIS 77 -0.897 -5.876 -14.926 472 HD2 HIS 77 HD2 HIS 77 0.984 -4.340 -11.560 473 HE1 HIS 77 HE1 HIS 77 -0.697 -7.797 -13.326 474 HE2 HIS 77 HE2 HIS 77 0.679 -6.889 -11.433 475 H LEU 78 HN LEU 78 0.416 -0.715 -12.518 476 HA LEU 78 HA LEU 78 -0.148 -1.873 -9.954 477 HB2 LEU 78 HB2 LEU 78 1.115 0.838 -10.487 478 HB3 LEU 78 HB1 LEU 78 1.306 -0.177 -9.056 479 HG LEU 78 HG LEU 78 2.392 -0.735 -11.841 480 HD11 LEU 78 HD11 LEU 78 3.835 -0.141 -9.259 481 HD12 LEU 78 HD12 LEU 78 3.640 0.948 -10.638 482 HD13 LEU 78 HD13 LEU 78 4.580 -0.530 -10.814 483 HD21 LEU 78 HD21 LEU 78 3.476 -2.735 -10.876 484 HD22 LEU 78 HD22 LEU 78 1.719 -2.859 -10.892 485 HD23 LEU 78 HD23 LEU 78 2.564 -2.499 -9.382 486 H VAL 79 HN VAL 79 -1.313 0.964 -11.702 487 HA VAL 79 HA VAL 79 -2.949 2.042 -9.622 488 HB VAL 79 HB VAL 79 -3.384 2.391 -12.627 489 HG11 VAL 79 HG11 VAL 79 -4.393 4.568 -11.986 490 HG12 VAL 79 HG12 VAL 79 -4.126 4.189 -10.284 491 HG13 VAL 79 HG13 VAL 79 -5.250 3.216 -11.236 492 HG21 VAL 79 HG21 VAL 79 -1.030 2.918 -12.115 493 HG22 VAL 79 HG22 VAL 79 -1.540 4.017 -10.836 494 HG23 VAL 79 HG23 VAL 79 -1.926 4.384 -12.516 495 H THR 80 HN THR 80 -3.510 -0.175 -12.335 496 HA THR 80 HA THR 80 -6.236 -0.704 -12.075 497 HB THR 80 HB THR 80 -4.051 -2.666 -12.908 498 HG1 THR 80 HG1 THR 80 -3.907 -1.504 -14.654 499 HG21 THR 80 HG21 THR 80 -6.258 -3.778 -12.527 500 HG22 THR 80 HG22 THR 80 -5.789 -3.795 -14.227 501 HG23 THR 80 HG23 THR 80 -7.004 -2.647 -13.662 502 H ALA 81 HN ALA 81 -3.450 -2.233 -10.495 503 HA ALA 81 HA ALA 81 -4.853 -4.212 -9.042 504 HB1 ALA 81 HB1 ALA 81 -2.144 -2.955 -8.486 505 HB2 ALA 81 HB2 ALA 81 -2.445 -4.348 -9.529 506 HB3 ALA 81 HB3 ALA 81 -2.755 -4.465 -7.797 507 H TYR 82 HN TYR 82 -3.680 -0.978 -8.217 508 HA TYR 82 HA TYR 82 -4.364 -0.767 -5.540 509 HB2 TYR 82 HB2 TYR 82 -3.003 0.917 -6.524 510 HB3 TYR 82 HB1 TYR 82 -4.151 1.234 -7.810 511 HD1 TYR 82 HD1 TYR 82 -6.207 2.591 -7.337 512 HD2 TYR 82 HD2 TYR 82 -3.149 2.112 -4.379 513 HE1 TYR 82 HE1 TYR 82 -7.077 4.534 -6.146 514 HE2 TYR 82 HE2 TYR 82 -4.061 4.045 -3.150 515 HH TYR 82 HH TYR 82 -5.396 6.119 -3.748 516 H ASN 83 HN ASN 83 -6.360 0.179 -8.378 517 HA ASN 83 HA ASN 83 -8.617 1.123 -7.013 518 HB2 ASN 83 HB2 ASN 83 -8.319 -0.062 -9.799 519 HB3 ASN 83 HB1 ASN 83 -9.878 0.504 -9.215 520 HD21 ASN 83 HD21 ASN 83 -6.708 2.057 -8.637 521 HD22 ASN 83 HD22 ASN 83 -7.082 3.492 -9.513 522 H HIS 84 HN HIS 84 -7.986 -2.080 -8.340 523 HA HIS 84 HA HIS 84 -10.488 -3.230 -7.604 524 HB2 HIS 84 HB2 HIS 84 -7.924 -4.374 -8.744 525 HB3 HIS 84 HB1 HIS 84 -9.295 -5.406 -8.340 526 HD1 HIS 84 HD1 HIS 84 -11.211 -5.488 -9.975 527 HD2 HIS 84 HD2 HIS 84 -8.516 -2.466 -10.884 528 HE1 HIS 84 HE1 HIS 84 -11.929 -4.603 -12.208 529 HE2 HIS 84 HE2 HIS 84 -10.387 -2.662 -12.654 530 H LEU 85 HN LEU 85 -7.466 -2.863 -5.875 531 HA LEU 85 HA LEU 85 -7.682 -5.013 -4.041 532 HB2 LEU 85 HB2 LEU 85 -5.650 -3.569 -4.340 533 HB3 LEU 85 HB1 LEU 85 -6.489 -2.242 -3.582 534 HG LEU 85 HG LEU 85 -6.593 -3.522 -1.455 535 HD11 LEU 85 HD11 LEU 85 -5.324 -5.595 -1.159 536 HD12 LEU 85 HD12 LEU 85 -4.961 -5.629 -2.885 537 HD13 LEU 85 HD13 LEU 85 -6.628 -5.796 -2.330 538 HD21 LEU 85 HD21 LEU 85 -4.214 -3.366 -0.847 539 HD22 LEU 85 HD22 LEU 85 -4.723 -1.978 -1.808 540 HD23 LEU 85 HD23 LEU 85 -3.778 -3.266 -2.558 541 H PHE 86 HN PHE 86 -8.622 -1.615 -3.756 542 HA PHE 86 HA PHE 86 -9.883 -1.901 -1.195 543 HB2 PHE 86 HB2 PHE 86 -10.028 0.488 -3.050 544 HB3 PHE 86 HB1 PHE 86 -10.302 0.477 -1.309 545 HD1 PHE 86 HD2 PHE 86 -8.231 -0.128 0.208 546 HD2 PHE 86 HD1 PHE 86 -7.912 0.907 -3.908 547 HE1 PHE 86 HE2 PHE 86 -5.835 0.439 0.504 548 HE2 PHE 86 HE1 PHE 86 -5.557 1.398 -3.584 549 HZ PHE 86 HZ PHE 86 -4.509 1.170 -1.392 550 H GLU 87 HN GLU 87 -10.975 -1.972 -4.501 551 HA GLU 87 HA GLU 87 -13.702 -1.307 -4.073 552 HB2 GLU 87 HB2 GLU 87 -12.499 -1.128 -6.260 553 HB3 GLU 87 HB1 GLU 87 -12.466 -2.880 -6.372 554 HG2 GLU 87 HG2 GLU 87 -14.226 -1.924 -7.783 555 HG3 GLU 87 HG1 GLU 87 -14.907 -2.951 -6.521 556 H THR 88 HN THR 88 -11.960 -4.212 -3.484 557 HA THR 88 HA THR 88 -14.460 -5.723 -2.965 558 HB THR 88 HB THR 88 -13.041 -7.801 -3.573 559 HG1 THR 88 HG1 THR 88 -11.502 -6.011 -5.105 560 HG21 THR 88 HG21 THR 88 -13.661 -5.857 -5.832 561 HG22 THR 88 HG22 THR 88 -14.811 -6.990 -5.118 562 HG23 THR 88 HG23 THR 88 -13.410 -7.595 -6.006 563 H LYS 89 HN LYS 89 -11.784 -4.331 -1.592 564 HA LYS 89 HA LYS 89 -10.770 -4.368 0.426 565 HB2 LYS 89 HB2 LYS 89 -13.109 -6.088 1.356 566 HB3 LYS 89 HB1 LYS 89 -12.052 -5.114 2.376 567 HG2 LYS 89 HG2 LYS 89 -14.010 -4.056 0.309 568 HG3 LYS 89 HG1 LYS 89 -14.255 -4.072 2.058 569 HD2 LYS 89 HD2 LYS 89 -12.413 -2.487 2.370 570 HD3 LYS 89 HD1 LYS 89 -12.026 -2.544 0.644 571 HE2 LYS 89 HE2 LYS 89 -14.249 -1.559 0.129 572 HE3 LYS 89 HE1 LYS 89 -14.611 -1.485 1.858 573 HZ1 LYS 89 HZ1 LYS 89 -13.815 0.620 0.887 574 HZ2 LYS 89 HZ2 LYS 89 -12.319 -0.100 0.578 575 HZ3 LYS 89 HZ3 LYS 89 -12.865 0.077 2.170 576 H ARG 90 HN ARG 90 -9.818 -6.245 -1.398 577 HA ARG 90 HA ARG 90 -9.483 -8.876 -0.279 578 HB2 ARG 90 HB2 ARG 90 -8.106 -7.436 -2.571 579 HB3 ARG 90 HB1 ARG 90 -7.757 -9.114 -2.148 580 HG2 ARG 90 HG2 ARG 90 -10.063 -9.753 -2.625 581 HG3 ARG 90 HG1 ARG 90 -10.490 -8.070 -2.954 582 HD2 ARG 90 HD2 ARG 90 -8.988 -8.022 -4.869 583 HD3 ARG 90 HD1 ARG 90 -8.432 -9.656 -4.514 584 HE ARG 90 HE ARG 90 -10.720 -10.429 -5.016 585 HH11 ARG 90 HH11 ARG 90 -9.829 -7.263 -6.228 586 HH12 ARG 90 HH12 ARG 90 -10.899 -7.341 -7.587 587 HH21 ARG 90 HH21 ARG 90 -12.142 -10.525 -6.789 588 HH22 ARG 90 HH22 ARG 90 -12.208 -9.203 -7.913 589 H PHE 91 HN PHE 91 -7.933 -5.937 0.342 590 HA PHE 91 HA PHE 91 -5.476 -7.027 1.417 591 HB2 PHE 91 HB2 PHE 91 -5.048 -4.748 2.251 592 HB3 PHE 91 HB1 PHE 91 -5.510 -4.717 0.556 593 HD1 PHE 91 HD1 PHE 91 -7.723 -3.848 -0.118 594 HD2 PHE 91 HD2 PHE 91 -6.428 -3.665 3.939 595 HE1 PHE 91 HE1 PHE 91 -9.491 -2.208 0.394 596 HE2 PHE 91 HE2 PHE 91 -8.174 -2.018 4.431 597 HZ PHE 91 HZ PHE 91 -9.715 -1.295 2.654 598 H LYS 92 HN LYS 92 -4.916 -7.046 3.600 599 HA LYS 92 HA LYS 92 -7.104 -7.150 5.577 600 HB2 LYS 92 HB2 LYS 92 -5.714 -9.212 5.377 601 HB3 LYS 92 HB1 LYS 92 -4.261 -8.267 5.690 602 HG2 LYS 92 HG2 LYS 92 -5.280 -7.681 7.961 603 HG3 LYS 92 HG1 LYS 92 -6.526 -8.885 7.621 604 HD2 LYS 92 HD2 LYS 92 -4.768 -9.860 9.018 605 HD3 LYS 92 HD1 LYS 92 -4.767 -10.628 7.431 606 HE2 LYS 92 HE2 LYS 92 -2.875 -9.102 6.767 607 HE3 LYS 92 HE1 LYS 92 -2.823 -8.515 8.429 608 HZ1 LYS 92 HZ1 LYS 92 -1.200 -10.247 8.011 609 HZ2 LYS 92 HZ2 LYS 92 -2.423 -11.333 7.582 610 HZ3 LYS 92 HZ3 LYS 92 -2.325 -10.740 9.169 Start of MODEL 14 1 H MET 20 H MET 20 -4.232 -2.256 21.549 2 HA MET 20 HA MET 20 -4.410 -2.744 19.201 3 HB2 MET 20 HB2 MET 20 -6.856 -3.642 20.781 4 HB3 MET 20 HB1 MET 20 -6.204 -4.437 19.357 5 HG2 MET 20 HG2 MET 20 -4.116 -4.917 20.641 6 HG3 MET 20 HG1 MET 20 -4.888 -4.230 22.075 7 HE1 MET 20 HE1 MET 20 -3.675 -7.120 22.205 8 HE2 MET 20 HE2 MET 20 -4.980 -8.046 22.938 9 HE3 MET 20 HE3 MET 20 -4.603 -6.434 23.542 10 H ALA 21 HN ALA 21 -4.719 -0.810 18.013 11 HA ALA 21 HA ALA 21 -7.435 0.182 17.501 12 HB1 ALA 21 HB1 ALA 21 -6.289 1.911 16.153 13 HB2 ALA 21 HB2 ALA 21 -4.742 1.089 16.401 14 HB3 ALA 21 HB3 ALA 21 -5.593 1.805 17.771 15 H ALA 22 HN ALA 22 -8.511 -0.085 15.566 16 HA ALA 22 HA ALA 22 -7.837 -2.238 13.798 17 HB1 ALA 22 HB1 ALA 22 -9.836 -1.513 12.520 18 HB2 ALA 22 HB2 ALA 22 -9.944 -0.049 13.501 19 HB3 ALA 22 HB3 ALA 22 -10.188 -1.632 14.244 20 H ALA 23 HN ALA 23 -5.958 -1.934 12.704 21 HA ALA 23 HA ALA 23 -5.136 0.673 11.694 22 HB1 ALA 23 HB1 ALA 23 -2.992 -0.448 11.245 23 HB2 ALA 23 HB2 ALA 23 -3.712 -2.010 11.654 24 HB3 ALA 23 HB3 ALA 23 -3.541 -0.762 12.891 25 H VAL 24 HN VAL 24 -7.331 0.070 10.347 26 HA VAL 24 HA VAL 24 -7.206 -1.521 8.053 27 HB VAL 24 HB VAL 24 -9.195 -0.139 7.261 28 HG11 VAL 24 HG11 VAL 24 -9.323 -1.208 10.110 29 HG12 VAL 24 HG12 VAL 24 -9.505 -2.161 8.636 30 HG13 VAL 24 HG13 VAL 24 -10.710 -0.941 9.052 31 HG21 VAL 24 HG21 VAL 24 -8.606 2.042 8.291 32 HG22 VAL 24 HG22 VAL 24 -8.797 1.349 9.902 33 HG23 VAL 24 HG23 VAL 24 -10.198 1.506 8.838 34 HA PRO 25 HA PRO 25 -4.355 1.019 5.709 35 HB2 PRO 25 HB2 PRO 25 -4.314 -0.360 3.355 36 HB3 PRO 25 HB1 PRO 25 -3.510 -0.933 4.815 37 HG2 PRO 25 HG2 PRO 25 -6.168 -1.754 3.672 38 HG3 PRO 25 HG1 PRO 25 -4.909 -2.768 4.404 39 HD2 PRO 25 HD2 PRO 25 -7.167 -1.969 5.757 40 HD3 PRO 25 HD1 PRO 25 -5.624 -2.316 6.569 41 H GLN 26 HN GLN 26 -5.288 2.959 5.347 42 HA GLN 26 HA GLN 26 -7.102 3.385 3.083 43 HB2 GLN 26 HB2 GLN 26 -6.905 5.818 3.670 44 HB3 GLN 26 HB1 GLN 26 -7.498 4.828 4.997 45 HG2 GLN 26 HG2 GLN 26 -5.255 4.863 6.034 46 HG3 GLN 26 HG1 GLN 26 -4.661 5.885 4.724 47 HE21 GLN 26 HE21 GLN 26 -5.310 8.058 4.650 48 HE22 GLN 26 HE22 GLN 26 -6.038 8.839 6.006 49 H ARG 27 HN ARG 27 -6.437 4.533 1.201 50 HA ARG 27 HA ARG 27 -3.891 3.887 0.226 51 HB2 ARG 27 HB2 ARG 27 -4.404 5.116 -1.781 52 HB3 ARG 27 HB1 ARG 27 -5.848 4.263 -1.263 53 HG2 ARG 27 HG2 ARG 27 -5.392 7.214 -0.718 54 HG3 ARG 27 HG1 ARG 27 -6.161 6.615 -2.182 55 HD2 ARG 27 HD2 ARG 27 -7.907 5.532 -0.762 56 HD3 ARG 27 HD1 ARG 27 -7.155 6.253 0.665 57 HE ARG 27 HE ARG 27 -8.082 8.004 -1.526 58 HH11 ARG 27 HH11 ARG 27 -8.470 6.928 1.796 59 HH12 ARG 27 HH12 ARG 27 -9.559 8.209 2.212 60 HH21 ARG 27 HH21 ARG 27 -9.545 9.646 -0.975 61 HH22 ARG 27 HH22 ARG 27 -10.187 9.735 0.637 62 H ALA 28 HN ALA 28 -2.001 4.869 0.249 63 HA ALA 28 HA ALA 28 -1.542 7.268 1.814 64 HB1 ALA 28 HB1 ALA 28 0.838 6.855 1.295 65 HB2 ALA 28 HB2 ALA 28 0.376 5.587 0.154 66 HB3 ALA 28 HB3 ALA 28 0.051 5.388 1.878 67 H TRP 29 HN TRP 29 -1.820 6.348 -1.523 68 HA TRP 29 HA TRP 29 -1.311 9.098 -2.489 69 HB2 TRP 29 HB2 TRP 29 -0.568 6.556 -4.012 70 HB3 TRP 29 HB1 TRP 29 -0.120 8.214 -4.401 71 HD1 TRP 29 HD1 TRP 29 1.559 9.377 -2.351 72 HE1 TRP 29 HE1 TRP 29 3.593 8.266 -1.246 73 HE3 TRP 29 HE3 TRP 29 0.468 4.490 -3.368 74 HZ2 TRP 29 HZ2 TRP 29 4.622 5.671 -0.865 75 HZ3 TRP 29 HZ3 TRP 29 2.036 2.751 -2.613 76 HH2 TRP 29 HH2 TRP 29 4.068 3.333 -1.386 77 H THR 30 HN THR 30 -2.782 9.790 -4.035 78 HA THR 30 HA THR 30 -5.156 8.204 -4.584 79 HB THR 30 HB THR 30 -5.872 10.256 -5.883 80 HG1 THR 30 HG1 THR 30 -4.025 11.953 -4.894 81 HG21 THR 30 HG21 THR 30 -4.934 10.811 -3.042 82 HG22 THR 30 HG22 THR 30 -6.467 10.055 -3.490 83 HG23 THR 30 HG23 THR 30 -6.152 11.733 -3.929 84 H VAL 31 HN VAL 31 -5.914 8.395 -7.063 85 HA VAL 31 HA VAL 31 -4.270 6.614 -8.485 86 HB VAL 31 HB VAL 31 -6.663 6.619 -8.894 87 HG11 VAL 31 HG11 VAL 31 -6.366 9.361 -10.157 88 HG12 VAL 31 HG12 VAL 31 -7.164 9.002 -8.626 89 HG13 VAL 31 HG13 VAL 31 -7.840 8.390 -10.136 90 HG21 VAL 31 HG21 VAL 31 -6.737 6.486 -11.360 91 HG22 VAL 31 HG22 VAL 31 -5.254 5.768 -10.734 92 HG23 VAL 31 HG23 VAL 31 -5.211 7.371 -11.469 93 H GLU 32 HN GLU 32 -4.588 10.138 -8.759 94 HA GLU 32 HA GLU 32 -2.909 10.486 -11.041 95 HB2 GLU 32 HB2 GLU 32 -2.889 12.903 -10.390 96 HB3 GLU 32 HB1 GLU 32 -4.508 12.220 -10.471 97 HG2 GLU 32 HG2 GLU 32 -4.586 12.043 -8.023 98 HG3 GLU 32 HG1 GLU 32 -2.945 12.675 -7.905 99 H GLN 33 HN GLN 33 -2.286 10.559 -7.521 100 HA GLN 33 HA GLN 33 0.424 11.370 -7.617 101 HB2 GLN 33 HB2 GLN 33 -1.045 9.718 -5.527 102 HB3 GLN 33 HB1 GLN 33 0.601 10.321 -5.313 103 HG2 GLN 33 HG2 GLN 33 -0.289 12.652 -5.573 104 HG3 GLN 33 HG1 GLN 33 -1.915 11.975 -5.640 105 HE21 GLN 33 HE21 GLN 33 0.850 12.607 -3.585 106 HE22 GLN 33 HE22 GLN 33 0.028 12.367 -2.084 107 H LEU 34 HN LEU 34 -1.079 8.179 -7.886 108 HA LEU 34 HA LEU 34 1.235 6.534 -7.786 109 HB2 LEU 34 HB2 LEU 34 -1.309 6.136 -9.397 110 HB3 LEU 34 HB1 LEU 34 -0.104 4.890 -9.077 111 HG LEU 34 HG LEU 34 -1.817 6.257 -6.962 112 HD11 LEU 34 HD11 LEU 34 -2.034 3.480 -8.146 113 HD12 LEU 34 HD12 LEU 34 -3.132 4.833 -8.442 114 HD13 LEU 34 HD13 LEU 34 -3.009 4.140 -6.828 115 HD21 LEU 34 HD21 LEU 34 -0.952 4.554 -5.412 116 HD22 LEU 34 HD22 LEU 34 0.363 5.539 -6.047 117 HD23 LEU 34 HD23 LEU 34 0.101 3.910 -6.677 118 H ARG 35 HN ARG 35 -0.523 8.027 -10.490 119 HA ARG 35 HA ARG 35 1.076 7.007 -12.597 120 HB2 ARG 35 HB2 ARG 35 -0.833 9.373 -12.531 121 HB3 ARG 35 HB1 ARG 35 -0.145 8.685 -14.002 122 HG2 ARG 35 HG2 ARG 35 -1.311 6.541 -13.527 123 HG3 ARG 35 HG1 ARG 35 -2.006 7.256 -12.067 124 HD2 ARG 35 HD2 ARG 35 -2.478 8.204 -14.918 125 HD3 ARG 35 HD1 ARG 35 -3.612 7.281 -13.935 126 HE ARG 35 HE ARG 35 -3.978 9.184 -12.569 127 HH11 ARG 35 HH11 ARG 35 -1.901 9.964 -15.316 128 HH12 ARG 35 HH12 ARG 35 -2.202 11.667 -15.206 129 HH21 ARG 35 HH21 ARG 35 -4.362 11.421 -12.471 130 HH22 ARG 35 HH22 ARG 35 -3.573 12.489 -13.588 131 H SER 36 HN SER 36 1.511 9.719 -10.453 132 HA SER 36 HA SER 36 3.234 11.368 -11.908 133 HB2 SER 36 HB2 SER 36 2.414 11.950 -9.648 134 HB3 SER 36 HB1 SER 36 3.376 10.655 -8.942 135 HG SER 36 HG SER 36 4.334 12.978 -10.273 136 H GLU 37 HN GLU 37 5.147 11.038 -12.776 137 HA GLU 37 HA GLU 37 6.448 8.571 -12.976 138 HB2 GLU 37 HB2 GLU 37 7.614 11.346 -13.447 139 HB3 GLU 37 HB1 GLU 37 8.248 9.843 -14.115 140 HG2 GLU 37 HG2 GLU 37 6.372 9.585 -15.569 141 HG3 GLU 37 HG1 GLU 37 5.455 10.841 -14.735 142 H GLN 38 HN GLN 38 7.017 11.314 -10.828 143 HA GLN 38 HA GLN 38 9.554 10.582 -9.812 144 HB2 GLN 38 HB2 GLN 38 7.390 12.287 -8.503 145 HB3 GLN 38 HB1 GLN 38 9.086 12.228 -8.019 146 HG2 GLN 38 HG2 GLN 38 9.753 13.150 -10.200 147 HG3 GLN 38 HG1 GLN 38 8.067 13.195 -10.711 148 HE21 GLN 38 HE21 GLN 38 8.037 15.413 -11.031 149 HE22 GLN 38 HE22 GLN 38 8.150 16.559 -9.740 150 H LEU 39 HN LEU 39 6.277 9.648 -8.872 151 HA LEU 39 HA LEU 39 7.125 8.132 -6.543 152 HB2 LEU 39 HB2 LEU 39 4.780 9.211 -7.001 153 HB3 LEU 39 HB1 LEU 39 4.471 7.800 -7.992 154 HG LEU 39 HG LEU 39 5.088 7.735 -4.995 155 HD11 LEU 39 HD11 LEU 39 2.727 7.160 -4.696 156 HD12 LEU 39 HD12 LEU 39 2.441 7.406 -6.418 157 HD13 LEU 39 HD13 LEU 39 2.935 8.760 -5.399 158 HD21 LEU 39 HD21 LEU 39 5.768 5.623 -6.030 159 HD22 LEU 39 HD22 LEU 39 4.183 5.455 -6.788 160 HD23 LEU 39 HD23 LEU 39 4.336 5.388 -5.027 161 HA PRO 40 HA PRO 40 8.515 4.881 -9.432 162 HB2 PRO 40 HB2 PRO 40 9.437 3.435 -7.013 163 HB3 PRO 40 HB1 PRO 40 10.385 4.073 -8.362 164 HG2 PRO 40 HG2 PRO 40 10.469 5.190 -5.890 165 HG3 PRO 40 HG1 PRO 40 10.627 6.166 -7.366 166 HD2 PRO 40 HD2 PRO 40 8.188 5.735 -5.632 167 HD3 PRO 40 HD1 PRO 40 8.827 7.248 -6.319 168 H LYS 41 HN LYS 41 7.767 2.944 -10.084 169 HA LYS 41 HA LYS 41 5.251 1.955 -9.416 170 HB2 LYS 41 HB2 LYS 41 7.570 0.576 -10.839 171 HB3 LYS 41 HB1 LYS 41 5.924 -0.055 -10.790 172 HG2 LYS 41 HG2 LYS 41 5.122 1.997 -11.942 173 HG3 LYS 41 HG1 LYS 41 6.790 2.567 -12.060 174 HD2 LYS 41 HD2 LYS 41 5.715 -0.010 -13.279 175 HD3 LYS 41 HD1 LYS 41 5.963 1.499 -14.158 176 HE2 LYS 41 HE2 LYS 41 8.367 1.354 -13.849 177 HE3 LYS 41 HE1 LYS 41 8.192 -0.017 -12.751 178 HZ1 LYS 41 HZ1 LYS 41 7.449 -0.030 -15.618 179 HZ2 LYS 41 HZ2 LYS 41 7.371 -1.344 -14.553 180 HZ3 LYS 41 HZ3 LYS 41 8.868 -0.678 -14.968 181 H LYS 42 HN LYS 42 8.388 1.143 -8.081 182 HA LYS 42 HA LYS 42 7.745 -1.324 -6.867 183 HB2 LYS 42 HB2 LYS 42 9.811 -0.943 -5.506 184 HB3 LYS 42 HB1 LYS 42 10.055 -0.742 -7.237 185 HG2 LYS 42 HG2 LYS 42 9.989 1.709 -6.966 186 HG3 LYS 42 HG1 LYS 42 9.738 1.516 -5.230 187 HD2 LYS 42 HD2 LYS 42 12.096 2.058 -5.796 188 HD3 LYS 42 HD1 LYS 42 11.944 0.501 -4.981 189 HE2 LYS 42 HE2 LYS 42 12.256 -0.693 -7.090 190 HE3 LYS 42 HE1 LYS 42 12.206 0.816 -8.003 191 HZ1 LYS 42 HZ1 LYS 42 14.240 1.493 -6.979 192 HZ2 LYS 42 HZ2 LYS 42 14.454 -0.034 -7.666 193 HZ3 LYS 42 HZ3 LYS 42 14.270 0.124 -5.994 194 H ASP 43 HN ASP 43 7.454 2.026 -5.732 195 HA ASP 43 HA ASP 43 6.825 1.414 -3.017 196 HB2 ASP 43 HB2 ASP 43 6.354 3.898 -4.707 197 HB3 ASP 43 HB1 ASP 43 5.835 3.802 -3.023 198 H ILE 44 HN ILE 44 4.875 1.757 -5.931 199 HA ILE 44 HA ILE 44 2.308 1.709 -4.712 200 HB ILE 44 HB ILE 44 3.000 0.680 -7.507 201 HG12 ILE 44 HG12 ILE 44 2.297 3.543 -6.686 202 HG13 ILE 44 HG11 ILE 44 3.899 2.995 -7.168 203 HG21 ILE 44 HG21 ILE 44 0.383 1.784 -6.400 204 HG22 ILE 44 HG22 ILE 44 0.721 0.089 -6.759 205 HG23 ILE 44 HG23 ILE 44 0.661 1.269 -8.068 206 HD11 ILE 44 HD11 ILE 44 1.440 3.082 -8.920 207 HD12 ILE 44 HD12 ILE 44 3.027 2.491 -9.415 208 HD13 ILE 44 HD13 ILE 44 2.816 4.183 -8.972 209 H ILE 45 HN ILE 45 4.217 -0.892 -6.294 210 HA ILE 45 HA ILE 45 2.577 -3.092 -5.678 211 HB ILE 45 HB ILE 45 5.605 -2.990 -6.045 212 HG12 ILE 45 HG12 ILE 45 3.382 -3.609 -8.034 213 HG13 ILE 45 HG11 ILE 45 4.334 -2.131 -7.989 214 HG21 ILE 45 HG21 ILE 45 3.807 -5.442 -6.189 215 HG22 ILE 45 HG22 ILE 45 4.995 -5.100 -4.926 216 HG23 ILE 45 HG23 ILE 45 5.525 -5.399 -6.582 217 HD11 ILE 45 HD11 ILE 45 5.337 -4.896 -8.638 218 HD12 ILE 45 HD12 ILE 45 6.343 -3.451 -8.534 219 HD13 ILE 45 HD13 ILE 45 5.083 -3.565 -9.761 220 H LYS 46 HN LYS 46 5.177 -1.568 -3.828 221 HA LYS 46 HA LYS 46 5.481 -3.404 -1.725 222 HB2 LYS 46 HB2 LYS 46 7.081 -1.597 -2.175 223 HB3 LYS 46 HB1 LYS 46 5.863 -0.389 -1.790 224 HG2 LYS 46 HG2 LYS 46 5.872 -1.147 0.579 225 HG3 LYS 46 HG1 LYS 46 7.100 -2.354 0.174 226 HD2 LYS 46 HD2 LYS 46 8.116 -0.350 1.209 227 HD3 LYS 46 HD1 LYS 46 8.680 -0.572 -0.450 228 HE2 LYS 46 HE2 LYS 46 6.981 1.132 -1.190 229 HE3 LYS 46 HE1 LYS 46 6.576 1.408 0.503 230 HZ1 LYS 46 HZ1 LYS 46 8.780 2.199 0.893 231 HZ2 LYS 46 HZ2 LYS 46 8.133 3.024 -0.435 232 HZ3 LYS 46 HZ3 LYS 46 9.266 1.799 -0.674 233 H PHE 47 HN PHE 47 3.378 -0.578 -2.075 234 HA PHE 47 HA PHE 47 2.079 -0.655 0.440 235 HB2 PHE 47 HB2 PHE 47 1.970 1.365 -0.868 236 HB3 PHE 47 HB1 PHE 47 1.323 0.515 -2.267 237 HD1 PHE 47 HD2 PHE 47 0.358 0.816 1.346 238 HD2 PHE 47 HD1 PHE 47 -0.907 1.109 -2.714 239 HE1 PHE 47 HE2 PHE 47 -1.911 1.351 2.096 240 HE2 PHE 47 HE1 PHE 47 -3.188 1.634 -1.956 241 HZ PHE 47 HZ PHE 47 -3.692 1.753 0.461 242 H LEU 48 HN LEU 48 1.240 -2.034 -2.713 243 HA LEU 48 HA LEU 48 -1.327 -3.030 -1.965 244 HB2 LEU 48 HB2 LEU 48 0.418 -3.711 -4.358 245 HB3 LEU 48 HB1 LEU 48 -1.280 -4.136 -4.192 246 HG LEU 48 HG LEU 48 -0.193 -1.293 -4.349 247 HD11 LEU 48 HD11 LEU 48 0.014 -2.440 -6.490 248 HD12 LEU 48 HD12 LEU 48 -1.238 -1.203 -6.567 249 HD13 LEU 48 HD13 LEU 48 -1.689 -2.906 -6.437 250 HD21 LEU 48 HD21 LEU 48 -2.542 -0.588 -4.532 251 HD22 LEU 48 HD22 LEU 48 -2.208 -1.361 -2.984 252 HD23 LEU 48 HD23 LEU 48 -3.071 -2.250 -4.244 253 H GLN 49 HN GLN 49 1.911 -4.435 -1.930 254 HA GLN 49 HA GLN 49 0.934 -7.122 -1.383 255 HB2 GLN 49 HB2 GLN 49 3.216 -7.860 -1.382 256 HB3 GLN 49 HB1 GLN 49 3.028 -6.744 -2.731 257 HG2 GLN 49 HG2 GLN 49 4.116 -4.969 -1.442 258 HG3 GLN 49 HG1 GLN 49 4.253 -6.041 -0.051 259 HE21 GLN 49 HE21 GLN 49 4.880 -7.032 -3.412 260 HE22 GLN 49 HE22 GLN 49 6.578 -7.261 -3.194 261 H GLU 50 HN GLU 50 2.017 -4.340 0.369 262 HA GLU 50 HA GLU 50 2.742 -5.392 2.844 263 HB2 GLU 50 HB2 GLU 50 3.172 -3.081 2.326 264 HB3 GLU 50 HB1 GLU 50 1.474 -2.740 2.055 265 HG2 GLU 50 HG2 GLU 50 2.351 -1.745 4.141 266 HG3 GLU 50 HG1 GLU 50 1.002 -2.848 4.416 267 H HIS 51 HN HIS 51 -0.512 -4.758 1.542 268 HA HIS 51 HA HIS 51 -1.632 -6.088 3.937 269 HB2 HIS 51 HB2 HIS 51 -2.594 -3.482 2.714 270 HB3 HIS 51 HB1 HIS 51 -3.615 -4.465 3.760 271 HD1 HIS 51 HD1 HIS 51 -1.514 -1.649 4.054 272 HD2 HIS 51 HD2 HIS 51 -1.957 -5.134 6.266 273 HE1 HIS 51 HE1 HIS 51 -0.550 -1.140 6.319 274 HE2 HIS 51 HE2 HIS 51 -0.907 -3.236 7.660 275 H GLY 52 HN GLY 52 -1.765 -5.739 0.468 276 HA2 GLY 52 HA2 GLY 52 -4.225 -6.979 -0.095 277 HA3 GLY 52 HA1 GLY 52 -2.800 -7.034 -1.123 278 H SER 53 HN SER 53 -4.938 -9.054 -0.084 279 HA SER 53 HA SER 53 -3.636 -11.114 1.361 280 HB2 SER 53 HB2 SER 53 -6.101 -10.960 1.166 281 HB3 SER 53 HB1 SER 53 -6.002 -11.299 -0.565 282 HG SER 53 HG SER 53 -6.487 -13.144 0.794 283 H ASP 54 HN ASP 54 -3.135 -13.303 0.493 284 HA ASP 54 HA ASP 54 -0.989 -13.019 -1.352 285 HB2 ASP 54 HB2 ASP 54 -0.463 -15.327 -0.901 286 HB3 ASP 54 HB1 ASP 54 -1.007 -14.613 0.612 287 H SER 55 HN SER 55 -4.269 -14.207 -1.653 288 HA SER 55 HA SER 55 -4.054 -15.367 -4.262 289 HB2 SER 55 HB2 SER 55 -5.910 -15.974 -2.778 290 HB3 SER 55 HB1 SER 55 -6.472 -14.302 -2.739 291 HG SER 55 HG SER 55 -6.192 -15.486 -5.243 292 H PHE 56 HN PHE 56 -4.919 -12.134 -3.034 293 HA PHE 56 HA PHE 56 -5.569 -10.888 -5.506 294 HB2 PHE 56 HB2 PHE 56 -6.223 -9.757 -3.487 295 HB3 PHE 56 HB1 PHE 56 -4.592 -9.804 -2.836 296 HD1 PHE 56 HD1 PHE 56 -6.639 -8.260 -5.581 297 HD2 PHE 56 HD2 PHE 56 -3.144 -7.940 -3.127 298 HE1 PHE 56 HE1 PHE 56 -6.216 -6.000 -6.458 299 HE2 PHE 56 HE2 PHE 56 -2.737 -5.681 -4.005 300 HZ PHE 56 HZ PHE 56 -4.271 -4.707 -5.665 301 H LEU 57 HN LEU 57 -2.555 -11.285 -3.699 302 HA LEU 57 HA LEU 57 -0.882 -9.752 -5.413 303 HB2 LEU 57 HB2 LEU 57 -0.118 -11.919 -3.425 304 HB3 LEU 57 HB1 LEU 57 0.992 -10.775 -4.168 305 HG LEU 57 HG LEU 57 -1.198 -10.154 -2.156 306 HD11 LEU 57 HD11 LEU 57 1.803 -9.832 -1.960 307 HD12 LEU 57 HD12 LEU 57 0.839 -11.092 -1.185 308 HD13 LEU 57 HD13 LEU 57 0.618 -9.408 -0.718 309 HD21 LEU 57 HD21 LEU 57 -1.156 -8.374 -3.852 310 HD22 LEU 57 HD22 LEU 57 0.578 -8.165 -3.597 311 HD23 LEU 57 HD23 LEU 57 -0.559 -7.803 -2.296 312 H ALA 58 HN ALA 58 -1.840 -13.157 -5.343 313 HA ALA 58 HA ALA 58 0.040 -14.099 -7.270 314 HB1 ALA 58 HB1 ALA 58 -1.395 -16.102 -7.370 315 HB2 ALA 58 HB2 ALA 58 -2.653 -15.251 -6.465 316 HB3 ALA 58 HB3 ALA 58 -1.101 -15.604 -5.701 317 H GLU 59 HN GLU 59 -3.396 -13.128 -7.541 318 HA GLU 59 HA GLU 59 -3.515 -13.594 -10.372 319 HB2 GLU 59 HB2 GLU 59 -5.436 -12.072 -8.573 320 HB3 GLU 59 HB1 GLU 59 -5.783 -12.623 -10.210 321 HG2 GLU 59 HG2 GLU 59 -5.316 -14.329 -7.745 322 HG3 GLU 59 HG1 GLU 59 -6.824 -14.132 -8.635 323 H HIS 60 HN HIS 60 -2.398 -10.906 -8.494 324 HA HIS 60 HA HIS 60 -2.368 -9.162 -10.908 325 HB2 HIS 60 HB2 HIS 60 -2.311 -8.392 -7.957 326 HB3 HIS 60 HB1 HIS 60 -2.077 -7.249 -9.275 327 HD1 HIS 60 HD1 HIS 60 -4.146 -6.159 -10.126 328 HD2 HIS 60 HD2 HIS 60 -4.999 -9.645 -8.053 329 HE1 HIS 60 HE1 HIS 60 -6.642 -6.249 -9.966 330 HE2 HIS 60 HE2 HIS 60 -7.128 -8.482 -8.941 331 H LYS 61 HN LYS 61 -0.434 -11.209 -9.227 332 HA LYS 61 HA LYS 61 1.766 -11.707 -9.190 333 HB2 LYS 61 HB2 LYS 61 1.903 -9.809 -11.566 334 HB3 LYS 61 HB1 LYS 61 3.140 -10.991 -11.140 335 HG2 LYS 61 HG2 LYS 61 0.291 -11.598 -12.006 336 HG3 LYS 61 HG1 LYS 61 1.752 -11.816 -12.976 337 HD2 LYS 61 HD2 LYS 61 2.552 -13.562 -11.446 338 HD3 LYS 61 HD1 LYS 61 1.183 -13.286 -10.366 339 HE2 LYS 61 HE2 LYS 61 -0.357 -14.020 -12.202 340 HE3 LYS 61 HE1 LYS 61 1.056 -14.396 -13.192 341 HZ1 LYS 61 HZ1 LYS 61 1.754 -15.980 -11.516 342 HZ2 LYS 61 HZ2 LYS 61 0.202 -16.345 -12.072 343 HZ3 LYS 61 HZ3 LYS 61 0.408 -15.609 -10.568 344 H LEU 62 HN LEU 62 0.950 -9.559 -7.458 345 HA LEU 62 HA LEU 62 3.092 -7.553 -7.437 346 HB2 LEU 62 HB2 LEU 62 0.701 -7.909 -5.600 347 HB3 LEU 62 HB1 LEU 62 1.791 -6.524 -5.603 348 HG LEU 62 HG LEU 62 0.003 -7.317 -7.938 349 HD11 LEU 62 HD11 LEU 62 -1.404 -5.435 -7.339 350 HD12 LEU 62 HD12 LEU 62 -0.418 -5.113 -5.914 351 HD13 LEU 62 HD13 LEU 62 -1.343 -6.614 -6.032 352 HD21 LEU 62 HD21 LEU 62 0.561 -5.088 -8.853 353 HD22 LEU 62 HD22 LEU 62 1.994 -6.099 -8.686 354 HD23 LEU 62 HD23 LEU 62 1.684 -4.813 -7.515 355 H LEU 63 HN LEU 63 2.641 -10.638 -6.153 356 HA LEU 63 HA LEU 63 3.968 -10.302 -3.624 357 HB2 LEU 63 HB2 LEU 63 4.141 -12.902 -3.786 358 HB3 LEU 63 HB1 LEU 63 2.577 -12.142 -3.576 359 HG LEU 63 HG LEU 63 2.140 -12.450 -6.045 360 HD11 LEU 63 HD11 LEU 63 4.641 -14.148 -6.031 361 HD12 LEU 63 HD12 LEU 63 4.405 -12.637 -6.909 362 HD13 LEU 63 HD13 LEU 63 3.453 -14.056 -7.336 363 HD21 LEU 63 HD21 LEU 63 2.651 -14.964 -4.436 364 HD22 LEU 63 HD22 LEU 63 1.617 -14.847 -5.865 365 HD23 LEU 63 HD23 LEU 63 1.197 -13.966 -4.398 366 H GLY 64 HN GLY 64 5.932 -11.768 -3.169 367 HA2 GLY 64 HA2 GLY 64 8.080 -12.483 -3.577 368 HA3 GLY 64 HA1 GLY 64 7.904 -12.028 -5.269 369 H ASN 65 HN ASN 65 10.143 -11.301 -4.870 370 HA ASN 65 HA ASN 65 10.716 -8.998 -3.305 371 HB2 ASN 65 HB2 ASN 65 12.401 -10.685 -4.203 372 HB3 ASN 65 HB1 ASN 65 12.213 -9.941 -5.785 373 HD21 ASN 65 HD21 ASN 65 14.579 -10.168 -4.085 374 HD22 ASN 65 HD22 ASN 65 15.144 -8.559 -3.813 375 H ILE 66 HN ILE 66 10.352 -6.915 -3.740 376 HA ILE 66 HA ILE 66 8.333 -6.207 -5.538 377 HB ILE 66 HB ILE 66 10.276 -4.248 -4.240 378 HG12 ILE 66 HG12 ILE 66 7.682 -5.300 -3.024 379 HG13 ILE 66 HG11 ILE 66 9.283 -5.889 -2.582 380 HG21 ILE 66 HG21 ILE 66 8.810 -3.228 -5.929 381 HG22 ILE 66 HG22 ILE 66 8.381 -2.667 -4.315 382 HG23 ILE 66 HG23 ILE 66 7.382 -3.882 -5.120 383 HD11 ILE 66 HD11 ILE 66 8.315 -3.054 -2.257 384 HD12 ILE 66 HD12 ILE 66 9.886 -3.689 -1.754 385 HD13 ILE 66 HD13 ILE 66 8.409 -4.271 -0.987 386 H LYS 67 HN LYS 67 11.836 -5.411 -5.674 387 HA LYS 67 HA LYS 67 11.753 -3.655 -7.862 388 HB2 LYS 67 HB2 LYS 67 14.224 -3.963 -7.962 389 HB3 LYS 67 HB1 LYS 67 13.621 -3.651 -6.338 390 HG2 LYS 67 HG2 LYS 67 13.787 -6.094 -5.849 391 HG3 LYS 67 HG1 LYS 67 14.496 -6.343 -7.449 392 HD2 LYS 67 HD2 LYS 67 16.405 -4.923 -6.854 393 HD3 LYS 67 HD1 LYS 67 15.673 -4.545 -5.290 394 HE2 LYS 67 HE2 LYS 67 17.426 -6.238 -5.027 395 HE3 LYS 67 HE1 LYS 67 15.849 -6.934 -4.642 396 HZ1 LYS 67 HZ1 LYS 67 15.802 -7.902 -6.868 397 HZ2 LYS 67 HZ2 LYS 67 17.142 -8.428 -5.988 398 HZ3 LYS 67 HZ3 LYS 67 17.332 -7.263 -7.193 399 H ASN 68 HN ASN 68 12.141 -7.151 -7.776 400 HA ASN 68 HA ASN 68 12.933 -7.593 -10.465 401 HB2 ASN 68 HB2 ASN 68 13.199 -9.294 -8.675 402 HB3 ASN 68 HB1 ASN 68 11.448 -9.434 -8.532 403 HD21 ASN 68 HD21 ASN 68 11.466 -11.639 -9.010 404 HD22 ASN 68 HD22 ASN 68 11.813 -12.249 -10.587 405 H VAL 69 HN VAL 69 9.785 -7.585 -8.845 406 HA VAL 69 HA VAL 69 8.197 -8.136 -11.154 407 HB VAL 69 HB VAL 69 7.409 -6.878 -8.479 408 HG11 VAL 69 HG11 VAL 69 5.706 -6.376 -10.190 409 HG12 VAL 69 HG12 VAL 69 5.086 -7.561 -9.039 410 HG13 VAL 69 HG13 VAL 69 5.625 -8.085 -10.634 411 HG21 VAL 69 HG21 VAL 69 8.371 -9.133 -8.194 412 HG22 VAL 69 HG22 VAL 69 7.246 -9.783 -9.388 413 HG23 VAL 69 HG23 VAL 69 6.636 -9.152 -7.858 414 H ALA 70 HN ALA 70 9.277 -5.182 -9.550 415 HA ALA 70 HA ALA 70 7.327 -3.387 -10.435 416 HB1 ALA 70 HB1 ALA 70 10.149 -2.764 -9.509 417 HB2 ALA 70 HB2 ALA 70 8.747 -2.977 -8.461 418 HB3 ALA 70 HB3 ALA 70 8.802 -1.621 -9.589 419 H LYS 71 HN LYS 71 10.633 -3.891 -11.640 420 HA LYS 71 HA LYS 71 10.687 -1.965 -13.636 421 HB2 LYS 71 HB2 LYS 71 12.531 -3.296 -14.633 422 HB3 LYS 71 HB1 LYS 71 12.697 -3.108 -12.890 423 HG2 LYS 71 HG2 LYS 71 11.877 -5.408 -12.538 424 HG3 LYS 71 HG1 LYS 71 11.641 -5.598 -14.274 425 HD2 LYS 71 HD2 LYS 71 13.699 -6.712 -13.642 426 HD3 LYS 71 HD1 LYS 71 14.090 -5.299 -14.625 427 HE2 LYS 71 HE2 LYS 71 14.687 -4.044 -12.585 428 HE3 LYS 71 HE1 LYS 71 14.274 -5.443 -11.591 429 HZ1 LYS 71 HZ1 LYS 71 16.038 -6.681 -12.697 430 HZ2 LYS 71 HZ2 LYS 71 16.644 -5.286 -11.959 431 HZ3 LYS 71 HZ3 LYS 71 16.426 -5.331 -13.635 432 H THR 72 HN THR 72 9.505 -5.335 -13.848 433 HA THR 72 HA THR 72 8.928 -5.082 -16.717 434 HB THR 72 HB THR 72 10.128 -7.103 -15.938 435 HG1 THR 72 HG1 THR 72 7.497 -7.698 -16.905 436 HG21 THR 72 HG21 THR 72 7.570 -7.817 -14.439 437 HG22 THR 72 HG22 THR 72 9.102 -7.353 -13.691 438 HG23 THR 72 HG23 THR 72 8.993 -8.847 -14.621 439 H ALA 73 HN ALA 73 7.282 -4.705 -13.766 440 HA ALA 73 HA ALA 73 4.612 -5.200 -14.894 441 HB1 ALA 73 HB1 ALA 73 4.986 -5.867 -12.550 442 HB2 ALA 73 HB2 ALA 73 3.778 -4.589 -12.652 443 HB3 ALA 73 HB3 ALA 73 5.419 -4.206 -12.129 444 H ASN 74 HN ASN 74 3.724 -3.596 -16.094 445 HA ASN 74 HA ASN 74 4.715 -0.898 -16.002 446 HB2 ASN 74 HB2 ASN 74 3.020 -0.361 -17.692 447 HB3 ASN 74 HB1 ASN 74 3.892 -1.822 -18.135 448 HD21 ASN 74 HD21 ASN 74 1.306 -0.880 -19.058 449 HD22 ASN 74 HD22 ASN 74 0.168 -2.125 -18.680 450 H LYS 75 HN LYS 75 3.546 0.964 -15.388 451 HA LYS 75 HA LYS 75 2.459 0.735 -12.793 452 HB2 LYS 75 HB2 LYS 75 3.827 2.650 -13.553 453 HB3 LYS 75 HB1 LYS 75 2.542 3.141 -14.650 454 HG2 LYS 75 HG2 LYS 75 1.076 3.679 -12.807 455 HG3 LYS 75 HG1 LYS 75 2.211 2.999 -11.639 456 HD2 LYS 75 HD2 LYS 75 2.844 5.387 -13.412 457 HD3 LYS 75 HD1 LYS 75 2.180 5.524 -11.787 458 HE2 LYS 75 HE2 LYS 75 4.202 4.324 -10.904 459 HE3 LYS 75 HE1 LYS 75 4.867 4.321 -12.541 460 HZ1 LYS 75 HZ1 LYS 75 5.713 6.131 -11.160 461 HZ2 LYS 75 HZ2 LYS 75 4.150 6.754 -11.003 462 HZ3 LYS 75 HZ3 LYS 75 4.894 6.708 -12.524 463 H ASP 76 HN ASP 76 1.010 0.937 -15.934 464 HA ASP 76 HA ASP 76 -1.601 1.736 -15.369 465 HB2 ASP 76 HB2 ASP 76 -0.685 1.588 -17.648 466 HB3 ASP 76 HB1 ASP 76 -0.551 -0.162 -17.511 467 H HIS 77 HN HIS 77 -0.107 -1.477 -15.294 468 HA HIS 77 HA HIS 77 -2.389 -3.022 -14.589 469 HB2 HIS 77 HB2 HIS 77 -0.324 -4.020 -15.525 470 HB3 HIS 77 HB1 HIS 77 0.583 -3.518 -14.105 471 HD1 HIS 77 HD1 HIS 77 -2.044 -5.983 -15.203 472 HD2 HIS 77 HD2 HIS 77 0.457 -5.280 -11.964 473 HE1 HIS 77 HE1 HIS 77 -2.152 -8.064 -13.814 474 HE2 HIS 77 HE2 HIS 77 -0.413 -7.712 -12.045 475 H LEU 78 HN LEU 78 0.043 -1.246 -12.739 476 HA LEU 78 HA LEU 78 -0.549 -2.345 -10.169 477 HB2 LEU 78 HB2 LEU 78 0.779 0.331 -10.716 478 HB3 LEU 78 HB1 LEU 78 0.918 -0.661 -9.266 479 HG LEU 78 HG LEU 78 2.088 -1.241 -12.005 480 HD11 LEU 78 HD11 LEU 78 4.229 -1.072 -10.871 481 HD12 LEU 78 HD12 LEU 78 3.417 -0.727 -9.340 482 HD13 LEU 78 HD13 LEU 78 3.295 0.411 -10.686 483 HD21 LEU 78 HD21 LEU 78 2.123 -3.049 -9.566 484 HD22 LEU 78 HD22 LEU 78 3.067 -3.293 -11.038 485 HD23 LEU 78 HD23 LEU 78 1.309 -3.368 -11.106 486 H VAL 79 HN VAL 79 -1.621 0.548 -11.888 487 HA VAL 79 HA VAL 79 -3.069 1.779 -9.772 488 HB VAL 79 HB VAL 79 -3.324 2.095 -12.808 489 HG11 VAL 79 HG11 VAL 79 -5.432 2.773 -11.715 490 HG12 VAL 79 HG12 VAL 79 -4.573 4.177 -12.357 491 HG13 VAL 79 HG13 VAL 79 -4.533 3.828 -10.624 492 HG21 VAL 79 HG21 VAL 79 -2.052 4.188 -12.483 493 HG22 VAL 79 HG22 VAL 79 -1.123 2.806 -11.904 494 HG23 VAL 79 HG23 VAL 79 -1.936 3.858 -10.745 495 H THR 80 HN THR 80 -3.990 -0.424 -12.435 496 HA THR 80 HA THR 80 -6.731 -0.705 -11.835 497 HB THR 80 HB THR 80 -4.869 -2.795 -13.061 498 HG1 THR 80 HG1 THR 80 -5.799 -0.404 -13.982 499 HG21 THR 80 HG21 THR 80 -6.904 -3.691 -14.146 500 HG22 THR 80 HG22 THR 80 -7.899 -2.503 -13.299 501 HG23 THR 80 HG23 THR 80 -7.063 -3.764 -12.388 502 H ALA 81 HN ALA 81 -3.890 -2.457 -10.588 503 HA ALA 81 HA ALA 81 -5.238 -4.352 -8.970 504 HB1 ALA 81 HB1 ALA 81 -2.877 -4.584 -9.659 505 HB2 ALA 81 HB2 ALA 81 -3.040 -4.682 -7.905 506 HB3 ALA 81 HB3 ALA 81 -2.440 -3.198 -8.657 507 H TYR 82 HN TYR 82 -3.998 -1.129 -8.385 508 HA TYR 82 HA TYR 82 -4.326 -0.873 -5.628 509 HB2 TYR 82 HB2 TYR 82 -2.971 0.737 -6.683 510 HB3 TYR 82 HB1 TYR 82 -4.130 1.031 -7.964 511 HD1 TYR 82 HD2 TYR 82 -3.204 1.888 -4.470 512 HD2 TYR 82 HD1 TYR 82 -5.920 2.666 -7.695 513 HE1 TYR 82 HE2 TYR 82 -3.990 3.933 -3.342 514 HE2 TYR 82 HE1 TYR 82 -6.675 4.707 -6.581 515 HH TYR 82 HH TYR 82 -5.080 6.091 -3.989 516 H ASN 83 HN ASN 83 -6.566 0.148 -8.260 517 HA ASN 83 HA ASN 83 -8.531 1.215 -6.509 518 HB2 ASN 83 HB2 ASN 83 -8.755 0.360 -9.424 519 HB3 ASN 83 HB1 ASN 83 -10.064 1.139 -8.546 520 HD21 ASN 83 HD21 ASN 83 -7.162 1.646 -10.282 521 HD22 ASN 83 HD22 ASN 83 -7.094 3.361 -10.097 522 H HIS 84 HN HIS 84 -8.274 -1.947 -8.121 523 HA HIS 84 HA HIS 84 -10.758 -3.025 -7.260 524 HB2 HIS 84 HB2 HIS 84 -8.219 -4.283 -8.344 525 HB3 HIS 84 HB1 HIS 84 -9.554 -5.293 -7.801 526 HD1 HIS 84 HD1 HIS 84 -11.203 -5.855 -9.548 527 HD2 HIS 84 HD2 HIS 84 -9.167 -2.355 -10.459 528 HE1 HIS 84 HE1 HIS 84 -12.038 -5.171 -11.813 529 HE2 HIS 84 HE2 HIS 84 -10.935 -2.948 -12.259 530 H LEU 85 HN LEU 85 -7.642 -2.759 -5.647 531 HA LEU 85 HA LEU 85 -7.875 -4.680 -3.626 532 HB2 LEU 85 HB2 LEU 85 -5.854 -3.332 -4.028 533 HB3 LEU 85 HB1 LEU 85 -6.668 -1.906 -3.468 534 HG LEU 85 HG LEU 85 -6.848 -2.997 -1.180 535 HD11 LEU 85 HD11 LEU 85 -4.959 -5.050 -2.357 536 HD12 LEU 85 HD12 LEU 85 -6.615 -5.332 -1.814 537 HD13 LEU 85 HD13 LEU 85 -5.375 -4.883 -0.648 538 HD21 LEU 85 HD21 LEU 85 -5.121 -1.307 -1.641 539 HD22 LEU 85 HD22 LEU 85 -4.020 -2.572 -2.194 540 HD23 LEU 85 HD23 LEU 85 -4.542 -2.529 -0.510 541 H PHE 86 HN PHE 86 -8.841 -1.283 -3.579 542 HA PHE 86 HA PHE 86 -10.114 -1.388 -1.001 543 HB2 PHE 86 HB2 PHE 86 -10.323 0.778 -3.124 544 HB3 PHE 86 HB1 PHE 86 -10.634 0.947 -1.392 545 HD1 PHE 86 HD2 PHE 86 -8.585 0.459 0.208 546 HD2 PHE 86 HD1 PHE 86 -8.201 1.217 -3.962 547 HE1 PHE 86 HE2 PHE 86 -6.224 1.119 0.525 548 HE2 PHE 86 HE1 PHE 86 -5.876 1.820 -3.623 549 HZ PHE 86 HZ PHE 86 -4.884 1.783 -1.394 550 H GLU 87 HN GLU 87 -11.158 -1.628 -4.329 551 HA GLU 87 HA GLU 87 -13.860 -0.900 -4.126 552 HB2 GLU 87 HB2 GLU 87 -12.606 -1.038 -6.252 553 HB3 GLU 87 HB1 GLU 87 -12.473 -2.782 -6.086 554 HG2 GLU 87 HG2 GLU 87 -14.185 -2.134 -7.727 555 HG3 GLU 87 HG1 GLU 87 -14.866 -3.047 -6.380 556 H THR 88 HN THR 88 -12.323 -4.101 -4.050 557 HA THR 88 HA THR 88 -14.791 -5.301 -2.940 558 HB THR 88 HB THR 88 -13.720 -7.472 -3.941 559 HG1 THR 88 HG1 THR 88 -12.522 -6.608 -5.971 560 HG21 THR 88 HG21 THR 88 -14.774 -5.331 -5.839 561 HG22 THR 88 HG22 THR 88 -15.770 -6.447 -4.893 562 HG23 THR 88 HG23 THR 88 -14.716 -7.067 -6.170 563 H LYS 89 HN LYS 89 -12.017 -4.110 -1.908 564 HA LYS 89 HA LYS 89 -10.855 -4.192 0.008 565 HB2 LYS 89 HB2 LYS 89 -13.250 -5.749 1.042 566 HB3 LYS 89 HB1 LYS 89 -12.093 -4.847 2.022 567 HG2 LYS 89 HG2 LYS 89 -12.814 -2.738 0.917 568 HG3 LYS 89 HG1 LYS 89 -13.975 -3.652 -0.049 569 HD2 LYS 89 HD2 LYS 89 -15.198 -2.649 1.757 570 HD3 LYS 89 HD1 LYS 89 -15.087 -4.375 2.109 571 HE2 LYS 89 HE2 LYS 89 -14.683 -3.078 4.140 572 HE3 LYS 89 HE1 LYS 89 -13.200 -3.906 3.669 573 HZ1 LYS 89 HZ1 LYS 89 -12.747 -1.652 4.318 574 HZ2 LYS 89 HZ2 LYS 89 -13.851 -1.052 3.186 575 HZ3 LYS 89 HZ3 LYS 89 -12.443 -1.824 2.663 576 H ARG 90 HN ARG 90 -9.601 -5.742 -1.523 577 HA ARG 90 HA ARG 90 -9.428 -8.523 -0.869 578 HB2 ARG 90 HB2 ARG 90 -7.198 -7.014 -2.280 579 HB3 ARG 90 HB1 ARG 90 -7.677 -8.699 -2.454 580 HG2 ARG 90 HG2 ARG 90 -8.990 -6.232 -3.604 581 HG3 ARG 90 HG1 ARG 90 -8.305 -7.618 -4.453 582 HD2 ARG 90 HD2 ARG 90 -10.837 -7.548 -2.819 583 HD3 ARG 90 HD1 ARG 90 -10.711 -7.679 -4.564 584 HE ARG 90 HE ARG 90 -9.579 -9.900 -4.098 585 HH11 ARG 90 HH11 ARG 90 -11.909 -8.589 -1.810 586 HH12 ARG 90 HH12 ARG 90 -12.492 -10.148 -1.330 587 HH21 ARG 90 HH21 ARG 90 -10.335 -11.943 -3.419 588 HH22 ARG 90 HH22 ARG 90 -11.588 -12.037 -2.220 589 H PHE 91 HN PHE 91 -8.106 -5.723 0.552 590 HA PHE 91 HA PHE 91 -5.671 -6.776 1.558 591 HB2 PHE 91 HB2 PHE 91 -5.816 -4.744 3.169 592 HB3 PHE 91 HB1 PHE 91 -5.702 -4.427 1.448 593 HD1 PHE 91 HD2 PHE 91 -8.369 -4.859 4.081 594 HD2 PHE 91 HD1 PHE 91 -7.097 -2.816 0.561 595 HE1 PHE 91 HE2 PHE 91 -10.355 -3.419 4.197 596 HE2 PHE 91 HE1 PHE 91 -9.092 -1.387 0.673 597 HZ PHE 91 HZ PHE 91 -10.719 -1.689 2.494 598 H LYS 92 HN LYS 92 -5.159 -7.627 3.449 599 HA LYS 92 HA LYS 92 -6.985 -8.930 5.182 600 HB2 LYS 92 HB2 LYS 92 -3.992 -8.385 5.446 601 HB3 LYS 92 HB1 LYS 92 -4.906 -9.509 6.446 602 HG2 LYS 92 HG2 LYS 92 -5.241 -11.017 4.639 603 HG3 LYS 92 HG1 LYS 92 -4.753 -9.822 3.439 604 HD2 LYS 92 HD2 LYS 92 -3.009 -11.506 3.700 605 HD3 LYS 92 HD1 LYS 92 -2.411 -9.951 4.266 606 HE2 LYS 92 HE2 LYS 92 -3.522 -12.044 6.163 607 HE3 LYS 92 HE1 LYS 92 -1.831 -12.031 5.676 608 HZ1 LYS 92 HZ1 LYS 92 -1.643 -9.787 6.600 609 HZ2 LYS 92 HZ2 LYS 92 -2.112 -10.914 7.762 610 HZ3 LYS 92 HZ3 LYS 92 -3.252 -9.858 7.118 Start of MODEL 15 1 H MET 20 H MET 20 1.872 -8.543 4.569 2 HA MET 20 HA MET 20 0.423 -10.191 2.587 3 HB2 MET 20 HB2 MET 20 0.175 -11.847 4.443 4 HB3 MET 20 HB1 MET 20 1.861 -11.587 4.020 5 HG2 MET 20 HG2 MET 20 2.114 -10.100 5.983 6 HG3 MET 20 HG1 MET 20 0.428 -10.415 6.413 7 HE1 MET 20 HE1 MET 20 1.298 -11.201 8.888 8 HE2 MET 20 HE2 MET 20 2.970 -10.921 8.391 9 HE3 MET 20 HE3 MET 20 2.512 -12.463 9.111 10 H ALA 21 HN ALA 21 -1.773 -10.768 3.437 11 HA ALA 21 HA ALA 21 -3.266 -8.495 4.287 12 HB1 ALA 21 HB1 ALA 21 -5.211 -9.994 4.265 13 HB2 ALA 21 HB2 ALA 21 -4.154 -11.396 4.108 14 HB3 ALA 21 HB3 ALA 21 -4.239 -10.210 2.806 15 H ALA 22 HN ALA 22 -2.449 -7.813 6.215 16 HA ALA 22 HA ALA 22 -3.403 -9.029 8.652 17 HB1 ALA 22 HB1 ALA 22 -1.186 -9.305 9.717 18 HB2 ALA 22 HB2 ALA 22 -0.400 -8.841 8.203 19 HB3 ALA 22 HB3 ALA 22 -1.332 -10.335 8.292 20 H ALA 23 HN ALA 23 -3.338 -6.491 6.959 21 HA ALA 23 HA ALA 23 -3.022 -4.515 9.033 22 HB1 ALA 23 HB1 ALA 23 -0.685 -4.777 8.299 23 HB2 ALA 23 HB2 ALA 23 -1.304 -3.193 7.825 24 HB3 ALA 23 HB3 ALA 23 -1.152 -4.484 6.625 25 H VAL 24 HN VAL 24 -4.629 -3.066 8.673 26 HA VAL 24 HA VAL 24 -6.198 -3.063 6.278 27 HB VAL 24 HB VAL 24 -6.309 -1.192 8.693 28 HG11 VAL 24 HG11 VAL 24 -7.463 -0.247 6.735 29 HG12 VAL 24 HG12 VAL 24 -8.629 -0.713 7.972 30 HG13 VAL 24 HG13 VAL 24 -8.400 -1.732 6.550 31 HG21 VAL 24 HG21 VAL 24 -8.155 -2.628 9.518 32 HG22 VAL 24 HG22 VAL 24 -6.643 -3.527 9.396 33 HG23 VAL 24 HG23 VAL 24 -7.894 -3.739 8.170 34 HA PRO 25 HA PRO 25 -3.680 0.324 4.494 35 HB2 PRO 25 HB2 PRO 25 -4.707 0.324 1.995 36 HB3 PRO 25 HB1 PRO 25 -3.654 -0.981 2.558 37 HG2 PRO 25 HG2 PRO 25 -6.662 -0.933 2.369 38 HG3 PRO 25 HG1 PRO 25 -5.533 -2.220 1.894 39 HD2 PRO 25 HD2 PRO 25 -6.910 -2.204 4.295 40 HD3 PRO 25 HD1 PRO 25 -5.353 -3.029 4.054 41 H GLN 26 HN GLN 26 -4.171 2.402 5.049 42 HA GLN 26 HA GLN 26 -6.550 3.661 3.833 43 HB2 GLN 26 HB2 GLN 26 -4.258 4.838 5.487 44 HB3 GLN 26 HB1 GLN 26 -5.624 5.764 4.852 45 HG2 GLN 26 HG2 GLN 26 -7.178 4.512 6.250 46 HG3 GLN 26 HG1 GLN 26 -5.872 3.469 6.825 47 HE21 GLN 26 HE21 GLN 26 -4.397 4.295 8.359 48 HE22 GLN 26 HE22 GLN 26 -4.694 5.767 9.219 49 H ARG 27 HN ARG 27 -6.225 5.153 2.063 50 HA ARG 27 HA ARG 27 -4.382 4.322 0.160 51 HB2 ARG 27 HB2 ARG 27 -5.146 6.020 -1.278 52 HB3 ARG 27 HB1 ARG 27 -6.526 5.656 -0.259 53 HG2 ARG 27 HG2 ARG 27 -4.684 8.039 0.117 54 HG3 ARG 27 HG1 ARG 27 -6.207 8.079 -0.758 55 HD2 ARG 27 HD2 ARG 27 -7.429 7.540 1.308 56 HD3 ARG 27 HD1 ARG 27 -5.902 7.396 2.190 57 HE ARG 27 HE ARG 27 -6.264 9.959 0.917 58 HH11 ARG 27 HH11 ARG 27 -7.053 8.147 3.821 59 HH12 ARG 27 HH12 ARG 27 -7.203 9.560 4.808 60 HH21 ARG 27 HH21 ARG 27 -6.462 11.792 2.218 61 HH22 ARG 27 HH22 ARG 27 -6.878 11.633 3.892 62 H ALA 28 HN ALA 28 -2.323 4.741 -0.243 63 HA ALA 28 HA ALA 28 -0.793 6.489 1.533 64 HB1 ALA 28 HB1 ALA 28 0.149 4.611 -0.661 65 HB2 ALA 28 HB2 ALA 28 0.062 4.235 1.060 66 HB3 ALA 28 HB3 ALA 28 1.191 5.462 0.481 67 H TRP 29 HN TRP 29 -1.676 6.187 -1.859 68 HA TRP 29 HA TRP 29 -1.024 9.018 -2.390 69 HB2 TRP 29 HB2 TRP 29 -0.457 6.811 -4.434 70 HB3 TRP 29 HB1 TRP 29 0.018 8.503 -4.514 71 HD1 TRP 29 HD1 TRP 29 2.145 9.236 -2.892 72 HE1 TRP 29 HE1 TRP 29 4.082 7.827 -1.954 73 HE3 TRP 29 HE3 TRP 29 0.204 4.573 -3.656 74 HZ2 TRP 29 HZ2 TRP 29 4.703 5.106 -1.584 75 HZ3 TRP 29 HZ3 TRP 29 1.533 2.615 -2.991 76 HH2 TRP 29 HH2 TRP 29 3.741 2.882 -1.973 77 H THR 30 HN THR 30 -2.361 9.929 -4.052 78 HA THR 30 HA THR 30 -4.953 8.634 -4.451 79 HB THR 30 HB THR 30 -5.601 10.786 -5.581 80 HG1 THR 30 HG1 THR 30 -3.965 12.527 -5.337 81 HG21 THR 30 HG21 THR 30 -4.274 11.201 -2.863 82 HG22 THR 30 HG22 THR 30 -5.916 10.602 -3.128 83 HG23 THR 30 HG23 THR 30 -5.491 12.250 -3.589 84 H VAL 31 HN VAL 31 -5.872 8.967 -6.814 85 HA VAL 31 HA VAL 31 -4.582 7.145 -8.489 86 HB VAL 31 HB VAL 31 -7.010 7.536 -8.575 87 HG11 VAL 31 HG11 VAL 31 -8.013 9.503 -9.668 88 HG12 VAL 31 HG12 VAL 31 -6.415 10.221 -9.870 89 HG13 VAL 31 HG13 VAL 31 -7.072 9.973 -8.249 90 HG21 VAL 31 HG21 VAL 31 -7.362 7.479 -11.032 91 HG22 VAL 31 HG22 VAL 31 -5.994 6.478 -10.551 92 HG23 VAL 31 HG23 VAL 31 -5.715 8.058 -11.284 93 H GLU 32 HN GLU 32 -4.571 10.697 -8.596 94 HA GLU 32 HA GLU 32 -3.064 10.978 -10.993 95 HB2 GLU 32 HB2 GLU 32 -2.842 13.361 -10.312 96 HB3 GLU 32 HB1 GLU 32 -4.503 12.787 -10.281 97 HG2 GLU 32 HG2 GLU 32 -4.453 12.619 -7.852 98 HG3 GLU 32 HG1 GLU 32 -2.744 13.050 -7.823 99 H GLN 33 HN GLN 33 -2.173 10.912 -7.550 100 HA GLN 33 HA GLN 33 0.593 11.473 -7.860 101 HB2 GLN 33 HB2 GLN 33 -0.947 10.029 -5.679 102 HB3 GLN 33 HB1 GLN 33 0.790 10.316 -5.578 103 HG2 GLN 33 HG2 GLN 33 0.382 12.754 -5.715 104 HG3 GLN 33 HG1 GLN 33 -1.355 12.455 -5.762 105 HE21 GLN 33 HE21 GLN 33 -2.412 11.844 -3.852 106 HE22 GLN 33 HE22 GLN 33 -1.651 11.907 -2.304 107 H LEU 34 HN LEU 34 -1.264 8.482 -8.064 108 HA LEU 34 HA LEU 34 0.886 6.622 -8.008 109 HB2 LEU 34 HB2 LEU 34 -1.907 6.456 -9.174 110 HB3 LEU 34 HB1 LEU 34 -0.801 5.091 -9.160 111 HG LEU 34 HG LEU 34 -1.766 6.498 -6.640 112 HD11 LEU 34 HD11 LEU 34 -2.787 3.930 -7.887 113 HD12 LEU 34 HD12 LEU 34 -3.651 5.470 -7.810 114 HD13 LEU 34 HD13 LEU 34 -3.273 4.603 -6.326 115 HD21 LEU 34 HD21 LEU 34 0.386 5.336 -6.352 116 HD22 LEU 34 HD22 LEU 34 -0.311 3.848 -7.000 117 HD23 LEU 34 HD23 LEU 34 -0.899 4.508 -5.471 118 H ARG 35 HN ARG 35 -0.939 8.096 -10.710 119 HA ARG 35 HA ARG 35 0.629 6.848 -12.770 120 HB2 ARG 35 HB2 ARG 35 -0.694 8.201 -14.348 121 HB3 ARG 35 HB1 ARG 35 -1.725 7.417 -13.157 122 HG2 ARG 35 HG2 ARG 35 -1.911 9.535 -11.901 123 HG3 ARG 35 HG1 ARG 35 -0.886 10.342 -13.089 124 HD2 ARG 35 HD2 ARG 35 -3.571 9.054 -13.689 125 HD3 ARG 35 HD1 ARG 35 -3.323 10.780 -13.403 126 HE ARG 35 HE ARG 35 -1.598 10.070 -15.464 127 HH11 ARG 35 HH11 ARG 35 -5.072 10.061 -15.018 128 HH12 ARG 35 HH12 ARG 35 -5.406 10.406 -16.685 129 HH21 ARG 35 HH21 ARG 35 -2.029 10.561 -17.608 130 HH22 ARG 35 HH22 ARG 35 -3.672 10.697 -18.156 131 H SER 36 HN SER 36 1.139 9.589 -10.796 132 HA SER 36 HA SER 36 2.488 11.402 -12.430 133 HB2 SER 36 HB2 SER 36 1.863 11.944 -10.117 134 HB3 SER 36 HB1 SER 36 3.007 10.757 -9.497 135 HG SER 36 HG SER 36 3.437 13.304 -10.456 136 H GLU 37 HN GLU 37 4.430 11.437 -13.372 137 HA GLU 37 HA GLU 37 6.023 9.095 -13.676 138 HB2 GLU 37 HB2 GLU 37 6.636 11.970 -14.489 139 HB3 GLU 37 HB1 GLU 37 7.426 10.527 -15.123 140 HG2 GLU 37 HG2 GLU 37 5.399 9.800 -16.209 141 HG3 GLU 37 HG1 GLU 37 4.462 11.084 -15.442 142 H GLN 38 HN GLN 38 6.147 11.728 -11.450 143 HA GLN 38 HA GLN 38 8.885 11.554 -10.655 144 HB2 GLN 38 HB2 GLN 38 6.455 12.604 -9.138 145 HB3 GLN 38 HB1 GLN 38 8.133 12.866 -8.672 146 HG2 GLN 38 HG2 GLN 38 6.762 13.914 -11.163 147 HG3 GLN 38 HG1 GLN 38 7.249 14.857 -9.757 148 HE21 GLN 38 HE21 GLN 38 9.496 15.229 -9.406 149 HE22 GLN 38 HE22 GLN 38 10.643 15.090 -10.694 150 H LEU 39 HN LEU 39 6.005 9.783 -9.845 151 HA LEU 39 HA LEU 39 7.219 8.367 -7.583 152 HB2 LEU 39 HB2 LEU 39 4.756 9.258 -7.755 153 HB3 LEU 39 HB1 LEU 39 4.457 7.865 -8.775 154 HG LEU 39 HG LEU 39 5.449 7.676 -5.889 155 HD11 LEU 39 HD11 LEU 39 2.614 7.330 -6.907 156 HD12 LEU 39 HD12 LEU 39 3.212 8.663 -5.914 157 HD13 LEU 39 HD13 LEU 39 3.179 7.027 -5.259 158 HD21 LEU 39 HD21 LEU 39 4.317 5.539 -7.711 159 HD22 LEU 39 HD22 LEU 39 4.745 5.333 -6.004 160 HD23 LEU 39 HD23 LEU 39 5.998 5.694 -7.188 161 HA PRO 40 HA PRO 40 8.447 4.980 -10.514 162 HB2 PRO 40 HB2 PRO 40 9.177 3.567 -7.966 163 HB3 PRO 40 HB1 PRO 40 10.180 3.936 -9.378 164 HG2 PRO 40 HG2 PRO 40 10.527 5.295 -7.108 165 HG3 PRO 40 HG1 PRO 40 10.609 6.135 -8.676 166 HD2 PRO 40 HD2 PRO 40 8.286 5.990 -6.729 167 HD3 PRO 40 HD1 PRO 40 9.001 7.416 -7.524 168 H LYS 41 HN LYS 41 8.289 2.262 -9.412 169 HA LYS 41 HA LYS 41 5.362 1.856 -9.121 170 HB2 LYS 41 HB2 LYS 41 7.328 0.026 -10.569 171 HB3 LYS 41 HB1 LYS 41 5.620 -0.288 -10.339 172 HG2 LYS 41 HG2 LYS 41 5.511 0.491 -12.476 173 HG3 LYS 41 HG1 LYS 41 5.371 2.039 -11.647 174 HD2 LYS 41 HD2 LYS 41 6.969 2.205 -13.505 175 HD3 LYS 41 HD1 LYS 41 7.810 2.421 -11.964 176 HE2 LYS 41 HE2 LYS 41 9.058 0.947 -13.562 177 HE3 LYS 41 HE1 LYS 41 8.654 0.142 -12.045 178 HZ1 LYS 41 HZ1 LYS 41 8.252 -1.287 -13.949 179 HZ2 LYS 41 HZ2 LYS 41 7.163 -0.171 -14.600 180 HZ3 LYS 41 HZ3 LYS 41 6.804 -0.951 -13.143 181 H LYS 42 HN LYS 42 8.582 0.983 -8.056 182 HA LYS 42 HA LYS 42 8.075 -1.499 -6.845 183 HB2 LYS 42 HB2 LYS 42 10.274 -1.051 -5.645 184 HB3 LYS 42 HB1 LYS 42 10.315 -0.940 -7.399 185 HG2 LYS 42 HG2 LYS 42 10.074 1.608 -7.100 186 HG3 LYS 42 HG1 LYS 42 10.415 1.337 -5.386 187 HD2 LYS 42 HD2 LYS 42 12.598 0.343 -5.961 188 HD3 LYS 42 HD1 LYS 42 12.245 0.505 -7.682 189 HE2 LYS 42 HE2 LYS 42 13.732 2.298 -7.068 190 HE3 LYS 42 HE1 LYS 42 12.142 3.006 -7.343 191 HZ1 LYS 42 HZ1 LYS 42 13.210 3.894 -5.361 192 HZ2 LYS 42 HZ2 LYS 42 13.287 2.348 -4.684 193 HZ3 LYS 42 HZ3 LYS 42 11.790 3.067 -4.964 194 H ASP 43 HN ASP 43 7.930 1.757 -5.476 195 HA ASP 43 HA ASP 43 7.382 0.925 -2.800 196 HB2 ASP 43 HB2 ASP 43 6.732 3.285 -2.408 197 HB3 ASP 43 HB1 ASP 43 8.301 3.134 -3.182 198 H ILE 44 HN ILE 44 5.324 1.591 -5.609 199 HA ILE 44 HA ILE 44 2.814 1.516 -4.247 200 HB ILE 44 HB ILE 44 3.290 0.679 -7.150 201 HG12 ILE 44 HG12 ILE 44 2.680 3.480 -6.085 202 HG13 ILE 44 HG11 ILE 44 4.230 2.955 -6.737 203 HG21 ILE 44 HG21 ILE 44 0.922 1.348 -7.487 204 HG22 ILE 44 HG22 ILE 44 0.777 1.701 -5.764 205 HG23 ILE 44 HG23 ILE 44 1.072 0.046 -6.304 206 HD11 ILE 44 HD11 ILE 44 3.164 2.600 -8.940 207 HD12 ILE 44 HD12 ILE 44 3.012 4.264 -8.376 208 HD13 ILE 44 HD13 ILE 44 1.630 3.173 -8.275 209 H ILE 45 HN ILE 45 4.718 -0.996 -5.902 210 HA ILE 45 HA ILE 45 3.116 -3.258 -5.539 211 HB ILE 45 HB ILE 45 6.157 -3.112 -5.368 212 HG12 ILE 45 HG12 ILE 45 4.493 -3.727 -7.846 213 HG13 ILE 45 HG11 ILE 45 5.136 -2.127 -7.482 214 HG21 ILE 45 HG21 ILE 45 6.167 -5.491 -6.081 215 HG22 ILE 45 HG22 ILE 45 4.403 -5.522 -6.003 216 HG23 ILE 45 HG23 ILE 45 5.345 -5.282 -4.530 217 HD11 ILE 45 HD11 ILE 45 6.762 -4.628 -7.948 218 HD12 ILE 45 HD12 ILE 45 7.417 -3.037 -7.562 219 HD13 ILE 45 HD13 ILE 45 6.546 -3.288 -9.072 220 H LYS 46 HN LYS 46 5.543 -1.791 -3.400 221 HA LYS 46 HA LYS 46 5.457 -3.621 -1.285 222 HB2 LYS 46 HB2 LYS 46 7.251 -2.009 -1.365 223 HB3 LYS 46 HB1 LYS 46 6.129 -0.653 -1.279 224 HG2 LYS 46 HG2 LYS 46 5.638 -1.065 1.018 225 HG3 LYS 46 HG1 LYS 46 6.354 -2.674 0.960 226 HD2 LYS 46 HD2 LYS 46 8.593 -1.709 0.742 227 HD3 LYS 46 HD1 LYS 46 7.906 -0.080 0.697 228 HE2 LYS 46 HE2 LYS 46 8.834 -0.687 2.936 229 HE3 LYS 46 HE1 LYS 46 7.117 -0.301 2.999 230 HZ1 LYS 46 HZ1 LYS 46 6.599 -2.636 3.074 231 HZ2 LYS 46 HZ2 LYS 46 7.703 -2.274 4.300 232 HZ3 LYS 46 HZ3 LYS 46 8.226 -3.050 2.897 233 H PHE 47 HN PHE 47 3.532 -0.680 -1.847 234 HA PHE 47 HA PHE 47 1.966 -0.681 0.500 235 HB2 PHE 47 HB2 PHE 47 2.012 1.272 -0.911 236 HB3 PHE 47 HB1 PHE 47 1.445 0.371 -2.308 237 HD1 PHE 47 HD2 PHE 47 0.162 0.816 1.214 238 HD2 PHE 47 HD1 PHE 47 -0.682 1.107 -2.962 239 HE1 PHE 47 HE2 PHE 47 -2.135 1.534 1.727 240 HE2 PHE 47 HE1 PHE 47 -2.980 1.810 -2.442 241 HZ PHE 47 HZ PHE 47 -3.713 2.030 -0.102 242 H LEU 48 HN LEU 48 1.342 -2.165 -2.670 243 HA LEU 48 HA LEU 48 -1.270 -3.115 -2.050 244 HB2 LEU 48 HB2 LEU 48 0.642 -3.810 -4.311 245 HB3 LEU 48 HB1 LEU 48 -1.034 -4.331 -4.243 246 HG LEU 48 HG LEU 48 -0.104 -1.429 -4.400 247 HD11 LEU 48 HD11 LEU 48 -1.023 -1.437 -6.677 248 HD12 LEU 48 HD12 LEU 48 -1.400 -3.157 -6.534 249 HD13 LEU 48 HD13 LEU 48 0.281 -2.613 -6.505 250 HD21 LEU 48 HD21 LEU 48 -2.201 -1.602 -3.144 251 HD22 LEU 48 HD22 LEU 48 -2.933 -2.547 -4.447 252 HD23 LEU 48 HD23 LEU 48 -2.484 -0.859 -4.720 253 H GLN 49 HN GLN 49 1.954 -4.589 -1.779 254 HA GLN 49 HA GLN 49 0.849 -7.235 -1.231 255 HB2 GLN 49 HB2 GLN 49 3.092 -8.056 -1.075 256 HB3 GLN 49 HB1 GLN 49 3.011 -6.982 -2.465 257 HG2 GLN 49 HG2 GLN 49 4.147 -5.220 -1.202 258 HG3 GLN 49 HG1 GLN 49 4.152 -6.226 0.242 259 HE21 GLN 49 HE21 GLN 49 4.878 -7.364 -3.051 260 HE22 GLN 49 HE22 GLN 49 6.541 -7.708 -2.749 261 H GLU 50 HN GLU 50 1.977 -4.487 0.581 262 HA GLU 50 HA GLU 50 2.610 -5.683 3.066 263 HB2 GLU 50 HB2 GLU 50 3.183 -3.318 2.254 264 HB3 GLU 50 HB1 GLU 50 1.537 -2.857 2.646 265 HG2 GLU 50 HG2 GLU 50 2.901 -2.146 4.438 266 HG3 GLU 50 HG1 GLU 50 2.006 -3.544 5.031 267 H HIS 51 HN HIS 51 -0.385 -4.827 1.593 268 HA HIS 51 HA HIS 51 -1.923 -5.273 4.095 269 HB2 HIS 51 HB2 HIS 51 -2.623 -3.428 1.771 270 HB3 HIS 51 HB1 HIS 51 -3.544 -3.619 3.261 271 HD1 HIS 51 HD1 HIS 51 -0.766 -1.719 1.789 272 HD2 HIS 51 HD2 HIS 51 -2.178 -2.548 5.597 273 HE1 HIS 51 HE1 HIS 51 0.381 -0.076 3.292 274 HE2 HIS 51 HE2 HIS 51 -0.361 -0.708 5.608 275 H GLY 52 HN GLY 52 -1.661 -5.910 0.633 276 HA2 GLY 52 HA2 GLY 52 -4.278 -7.061 0.297 277 HA3 GLY 52 HA1 GLY 52 -2.963 -7.067 -0.867 278 H SER 53 HN SER 53 -4.759 -9.216 -0.290 279 HA SER 53 HA SER 53 -3.226 -11.260 1.112 280 HB2 SER 53 HB2 SER 53 -5.735 -11.114 1.336 281 HB3 SER 53 HB1 SER 53 -5.886 -11.541 -0.363 282 HG SER 53 HG SER 53 -4.998 -13.101 1.800 283 H ASP 54 HN ASP 54 -3.265 -13.481 -0.087 284 HA ASP 54 HA ASP 54 -1.154 -13.324 -1.920 285 HB2 ASP 54 HB2 ASP 54 -2.927 -15.710 -1.255 286 HB3 ASP 54 HB1 ASP 54 -1.385 -15.802 -2.107 287 H SER 55 HN SER 55 -4.603 -14.005 -2.476 288 HA SER 55 HA SER 55 -4.333 -14.782 -5.209 289 HB2 SER 55 HB2 SER 55 -6.223 -15.521 -3.777 290 HB3 SER 55 HB1 SER 55 -6.817 -13.869 -3.687 291 HG SER 55 HG SER 55 -7.046 -15.733 -5.696 292 H PHE 56 HN PHE 56 -4.822 -11.677 -3.596 293 HA PHE 56 HA PHE 56 -5.500 -10.112 -5.883 294 HB2 PHE 56 HB2 PHE 56 -5.883 -9.202 -3.663 295 HB3 PHE 56 HB1 PHE 56 -4.193 -9.395 -3.221 296 HD1 PHE 56 HD1 PHE 56 -6.081 -7.711 -6.044 297 HD2 PHE 56 HD2 PHE 56 -3.053 -7.358 -3.030 298 HE1 PHE 56 HE1 PHE 56 -5.632 -5.401 -6.747 299 HE2 PHE 56 HE2 PHE 56 -2.615 -5.055 -3.757 300 HZ PHE 56 HZ PHE 56 -3.900 -4.072 -5.610 301 H LEU 57 HN LEU 57 -2.459 -10.923 -4.290 302 HA LEU 57 HA LEU 57 -0.781 -9.298 -5.931 303 HB2 LEU 57 HB2 LEU 57 -0.030 -11.662 -4.162 304 HB3 LEU 57 HB1 LEU 57 1.064 -10.415 -4.761 305 HG LEU 57 HG LEU 57 -1.216 -9.995 -2.783 306 HD11 LEU 57 HD11 LEU 57 0.690 -11.133 -1.797 307 HD12 LEU 57 HD12 LEU 57 0.526 -9.499 -1.158 308 HD13 LEU 57 HD13 LEU 57 1.772 -9.855 -2.361 309 HD21 LEU 57 HD21 LEU 57 -0.997 -8.027 -4.226 310 HD22 LEU 57 HD22 LEU 57 0.734 -7.942 -3.881 311 HD23 LEU 57 HD23 LEU 57 -0.442 -7.670 -2.593 312 H ALA 58 HN ALA 58 -1.606 -12.717 -5.903 313 HA ALA 58 HA ALA 58 0.166 -13.806 -7.727 314 HB1 ALA 58 HB1 ALA 58 -1.403 -15.692 -7.890 315 HB2 ALA 58 HB2 ALA 58 -2.680 -14.704 -7.174 316 HB3 ALA 58 HB3 ALA 58 -1.263 -15.135 -6.220 317 H GLU 59 HN GLU 59 -2.654 -11.862 -8.388 318 HA GLU 59 HA GLU 59 -3.428 -12.635 -10.950 319 HB2 GLU 59 HB2 GLU 59 -3.338 -9.815 -9.787 320 HB3 GLU 59 HB1 GLU 59 -4.222 -10.264 -11.247 321 HG2 GLU 59 HG2 GLU 59 -5.626 -11.790 -9.900 322 HG3 GLU 59 HG1 GLU 59 -4.756 -11.291 -8.446 323 H HIS 60 HN HIS 60 -0.991 -10.113 -10.100 324 HA HIS 60 HA HIS 60 0.296 -10.553 -12.743 325 HB2 HIS 60 HB2 HIS 60 -0.818 -8.226 -12.261 326 HB3 HIS 60 HB1 HIS 60 0.578 -7.934 -11.227 327 HD1 HIS 60 HD1 HIS 60 -0.322 -8.621 -14.838 328 HD2 HIS 60 HD2 HIS 60 2.905 -7.222 -12.614 329 HE1 HIS 60 HE1 HIS 60 1.385 -7.879 -16.522 330 HE2 HIS 60 HE2 HIS 60 3.415 -7.307 -15.158 331 H LYS 61 HN LYS 61 0.667 -11.657 -9.881 332 HA LYS 61 HA LYS 61 2.260 -12.289 -8.432 333 HB2 LYS 61 HB2 LYS 61 4.095 -11.951 -10.837 334 HB3 LYS 61 HB1 LYS 61 4.529 -12.798 -9.353 335 HG2 LYS 61 HG2 LYS 61 2.753 -14.455 -9.761 336 HG3 LYS 61 HG1 LYS 61 2.283 -13.605 -11.238 337 HD2 LYS 61 HD2 LYS 61 4.490 -14.088 -12.236 338 HD3 LYS 61 HD1 LYS 61 5.011 -14.880 -10.746 339 HE2 LYS 61 HE2 LYS 61 4.381 -16.543 -12.431 340 HE3 LYS 61 HE1 LYS 61 3.263 -16.610 -11.068 341 HZ1 LYS 61 HZ1 LYS 61 2.738 -15.205 -13.630 342 HZ2 LYS 61 HZ2 LYS 61 1.655 -15.377 -12.344 343 HZ3 LYS 61 HZ3 LYS 61 2.144 -16.733 -13.222 344 H LEU 62 HN LEU 62 1.664 -10.084 -7.528 345 HA LEU 62 HA LEU 62 3.776 -8.088 -7.449 346 HB2 LEU 62 HB2 LEU 62 1.174 -8.221 -5.873 347 HB3 LEU 62 HB1 LEU 62 2.257 -6.838 -5.959 348 HG LEU 62 HG LEU 62 0.599 -7.959 -8.262 349 HD11 LEU 62 HD11 LEU 62 -0.767 -6.773 -6.615 350 HD12 LEU 62 HD12 LEU 62 -0.668 -5.863 -8.119 351 HD13 LEU 62 HD13 LEU 62 0.288 -5.360 -6.723 352 HD21 LEU 62 HD21 LEU 62 2.471 -5.558 -8.247 353 HD22 LEU 62 HD22 LEU 62 1.391 -6.013 -9.571 354 HD23 LEU 62 HD23 LEU 62 2.722 -7.077 -9.116 355 H LEU 63 HN LEU 63 3.067 -10.977 -5.937 356 HA LEU 63 HA LEU 63 4.187 -10.455 -3.328 357 HB2 LEU 63 HB2 LEU 63 3.978 -13.045 -3.164 358 HB3 LEU 63 HB1 LEU 63 2.520 -12.073 -3.230 359 HG LEU 63 HG LEU 63 2.437 -12.628 -5.759 360 HD11 LEU 63 HD11 LEU 63 4.705 -13.461 -6.068 361 HD12 LEU 63 HD12 LEU 63 3.518 -14.687 -6.507 362 HD13 LEU 63 HD13 LEU 63 4.383 -14.804 -4.973 363 HD21 LEU 63 HD21 LEU 63 2.003 -14.880 -3.775 364 HD22 LEU 63 HD22 LEU 63 1.285 -14.764 -5.385 365 HD23 LEU 63 HD23 LEU 63 0.867 -13.582 -4.147 366 H GLY 64 HN GLY 64 6.092 -11.484 -2.510 367 HA2 GLY 64 HA2 GLY 64 8.174 -12.529 -2.607 368 HA3 GLY 64 HA1 GLY 64 8.071 -12.575 -4.363 369 H ASN 65 HN ASN 65 10.111 -11.727 -4.708 370 HA ASN 65 HA ASN 65 11.257 -9.487 -3.382 371 HB2 ASN 65 HB2 ASN 65 11.960 -10.737 -6.080 372 HB3 ASN 65 HB1 ASN 65 12.967 -9.574 -5.221 373 HD21 ASN 65 HD21 ASN 65 13.594 -12.289 -6.060 374 HD22 ASN 65 HD22 ASN 65 14.036 -13.145 -4.624 375 H ILE 66 HN ILE 66 10.587 -7.455 -3.554 376 HA ILE 66 HA ILE 66 8.666 -6.471 -5.361 377 HB ILE 66 HB ILE 66 10.638 -4.884 -3.654 378 HG12 ILE 66 HG12 ILE 66 7.769 -5.717 -3.039 379 HG13 ILE 66 HG11 ILE 66 9.209 -6.447 -2.333 380 HG21 ILE 66 HG21 ILE 66 8.043 -3.954 -4.943 381 HG22 ILE 66 HG22 ILE 66 9.672 -3.462 -5.409 382 HG23 ILE 66 HG23 ILE 66 9.033 -3.003 -3.832 383 HD11 ILE 66 HD11 ILE 66 8.285 -3.594 -1.951 384 HD12 ILE 66 HD12 ILE 66 9.750 -4.297 -1.257 385 HD13 ILE 66 HD13 ILE 66 8.166 -4.910 -0.783 386 H LYS 67 HN LYS 67 12.194 -6.124 -5.278 387 HA LYS 67 HA LYS 67 12.649 -4.394 -7.410 388 HB2 LYS 67 HB2 LYS 67 14.294 -6.737 -6.396 389 HB3 LYS 67 HB1 LYS 67 14.914 -5.518 -7.500 390 HG2 LYS 67 HG2 LYS 67 14.999 -3.865 -5.857 391 HG3 LYS 67 HG1 LYS 67 13.773 -4.636 -4.857 392 HD2 LYS 67 HD2 LYS 67 16.107 -4.727 -3.897 393 HD3 LYS 67 HD1 LYS 67 15.321 -6.300 -4.066 394 HE2 LYS 67 HE2 LYS 67 17.665 -6.431 -4.758 395 HE3 LYS 67 HE1 LYS 67 16.602 -6.714 -6.133 396 HZ1 LYS 67 HZ1 LYS 67 16.967 -4.403 -6.807 397 HZ2 LYS 67 HZ2 LYS 67 18.406 -5.283 -6.754 398 HZ3 LYS 67 HZ3 LYS 67 18.041 -4.192 -5.515 399 H ASN 68 HN ASN 68 12.463 -7.964 -7.419 400 HA ASN 68 HA ASN 68 12.767 -8.412 -10.186 401 HB2 ASN 68 HB2 ASN 68 13.019 -10.259 -8.643 402 HB3 ASN 68 HB1 ASN 68 11.382 -10.063 -8.033 403 HD21 ASN 68 HD21 ASN 68 9.641 -10.872 -9.249 404 HD22 ASN 68 HD22 ASN 68 9.858 -11.933 -10.597 405 H VAL 69 HN VAL 69 9.875 -7.856 -8.211 406 HA VAL 69 HA VAL 69 7.969 -8.319 -10.284 407 HB VAL 69 HB VAL 69 7.668 -6.812 -7.637 408 HG11 VAL 69 HG11 VAL 69 5.237 -7.129 -7.899 409 HG12 VAL 69 HG12 VAL 69 5.485 -7.870 -9.481 410 HG13 VAL 69 HG13 VAL 69 5.884 -6.170 -9.230 411 HG21 VAL 69 HG21 VAL 69 6.934 -9.688 -8.342 412 HG22 VAL 69 HG22 VAL 69 6.639 -8.900 -6.789 413 HG23 VAL 69 HG23 VAL 69 8.293 -9.200 -7.328 414 H ALA 70 HN ALA 70 9.853 -5.504 -9.305 415 HA ALA 70 HA ALA 70 8.196 -3.437 -10.296 416 HB1 ALA 70 HB1 ALA 70 9.933 -3.100 -8.590 417 HB2 ALA 70 HB2 ALA 70 10.129 -1.974 -9.934 418 HB3 ALA 70 HB3 ALA 70 11.184 -3.383 -9.801 419 H LYS 71 HN LYS 71 9.964 -5.670 -12.145 420 HA LYS 71 HA LYS 71 10.472 -3.861 -14.403 421 HB2 LYS 71 HB2 LYS 71 11.556 -5.758 -15.472 422 HB3 LYS 71 HB1 LYS 71 12.130 -5.627 -13.811 423 HG2 LYS 71 HG2 LYS 71 10.583 -7.452 -13.151 424 HG3 LYS 71 HG1 LYS 71 10.056 -7.601 -14.827 425 HD2 LYS 71 HD2 LYS 71 12.348 -8.238 -15.490 426 HD3 LYS 71 HD1 LYS 71 12.890 -8.081 -13.816 427 HE2 LYS 71 HE2 LYS 71 11.381 -9.921 -13.146 428 HE3 LYS 71 HE1 LYS 71 10.784 -10.048 -14.803 429 HZ1 LYS 71 HZ1 LYS 71 13.560 -10.575 -13.906 430 HZ2 LYS 71 HZ2 LYS 71 13.025 -10.640 -15.507 431 HZ3 LYS 71 HZ3 LYS 71 12.415 -11.728 -14.369 432 H THR 72 HN THR 72 8.048 -6.122 -13.333 433 HA THR 72 HA THR 72 6.762 -6.192 -15.999 434 HB THR 72 HB THR 72 7.349 -8.438 -15.279 435 HG1 THR 72 HG1 THR 72 5.444 -9.234 -15.810 436 HG21 THR 72 HG21 THR 72 5.732 -7.939 -12.744 437 HG22 THR 72 HG22 THR 72 7.486 -8.128 -12.825 438 HG23 THR 72 HG23 THR 72 6.434 -9.484 -13.232 439 H ALA 73 HN ALA 73 6.359 -5.357 -12.640 440 HA ALA 73 HA ALA 73 3.522 -4.972 -12.666 441 HB1 ALA 73 HB1 ALA 73 5.567 -3.929 -10.684 442 HB2 ALA 73 HB2 ALA 73 4.675 -5.443 -10.551 443 HB3 ALA 73 HB3 ALA 73 3.814 -3.905 -10.480 444 H ASN 74 HN ASN 74 3.266 -3.790 -14.479 445 HA ASN 74 HA ASN 74 4.443 -1.239 -14.946 446 HB2 ASN 74 HB2 ASN 74 2.896 -1.118 -16.856 447 HB3 ASN 74 HB1 ASN 74 3.695 -2.680 -16.806 448 HD21 ASN 74 HD21 ASN 74 2.489 -4.515 -16.148 449 HD22 ASN 74 HD22 ASN 74 0.766 -4.537 -16.281 450 H LYS 75 HN LYS 75 3.483 0.745 -14.722 451 HA LYS 75 HA LYS 75 2.141 1.205 -12.309 452 HB2 LYS 75 HB2 LYS 75 3.740 2.764 -13.283 453 HB3 LYS 75 HB1 LYS 75 2.703 3.011 -14.686 454 HG2 LYS 75 HG2 LYS 75 1.035 4.128 -13.315 455 HG3 LYS 75 HG1 LYS 75 1.963 3.793 -11.848 456 HD2 LYS 75 HD2 LYS 75 2.937 5.502 -14.173 457 HD3 LYS 75 HD1 LYS 75 2.236 6.121 -12.679 458 HE2 LYS 75 HE2 LYS 75 4.100 5.037 -11.395 459 HE3 LYS 75 HE1 LYS 75 4.833 4.568 -12.936 460 HZ1 LYS 75 HZ1 LYS 75 4.320 7.314 -11.960 461 HZ2 LYS 75 HZ2 LYS 75 4.876 6.957 -13.511 462 HZ3 LYS 75 HZ3 LYS 75 5.824 6.574 -12.168 463 H ASP 76 HN ASP 76 0.992 1.056 -15.645 464 HA ASP 76 HA ASP 76 -1.580 2.108 -15.395 465 HB2 ASP 76 HB2 ASP 76 -0.486 1.558 -17.554 466 HB3 ASP 76 HB1 ASP 76 -0.616 -0.159 -17.188 467 H HIS 77 HN HIS 77 -0.383 -1.166 -14.793 468 HA HIS 77 HA HIS 77 -2.889 -2.361 -14.095 469 HB2 HIS 77 HB2 HIS 77 -1.002 -3.769 -14.819 470 HB3 HIS 77 HB1 HIS 77 -0.021 -3.218 -13.465 471 HD1 HIS 77 HD1 HIS 77 -2.906 -5.480 -14.304 472 HD2 HIS 77 HD2 HIS 77 -0.552 -4.513 -11.010 473 HE1 HIS 77 HE1 HIS 77 -3.500 -7.157 -12.535 474 HE2 HIS 77 HE2 HIS 77 -2.245 -6.397 -10.492 475 H LEU 78 HN LEU 78 -0.285 -0.767 -12.284 476 HA LEU 78 HA LEU 78 -1.036 -1.702 -9.704 477 HB2 LEU 78 HB2 LEU 78 0.704 0.643 -10.515 478 HB3 LEU 78 HB1 LEU 78 0.555 0.040 -8.867 479 HG LEU 78 HG LEU 78 1.688 -1.534 -11.219 480 HD11 LEU 78 HD11 LEU 78 3.148 0.297 -10.499 481 HD12 LEU 78 HD12 LEU 78 3.840 -1.281 -10.126 482 HD13 LEU 78 HD13 LEU 78 3.108 -0.313 -8.839 483 HD21 LEU 78 HD21 LEU 78 0.591 -3.033 -9.613 484 HD22 LEU 78 HD22 LEU 78 1.504 -2.308 -8.285 485 HD23 LEU 78 HD23 LEU 78 2.345 -3.220 -9.542 486 H VAL 79 HN VAL 79 -1.908 1.204 -11.512 487 HA VAL 79 HA VAL 79 -3.280 2.563 -9.393 488 HB VAL 79 HB VAL 79 -3.676 2.843 -12.419 489 HG11 VAL 79 HG11 VAL 79 -4.443 4.727 -10.151 490 HG12 VAL 79 HG12 VAL 79 -5.563 3.786 -11.140 491 HG13 VAL 79 HG13 VAL 79 -4.615 5.079 -11.875 492 HG21 VAL 79 HG21 VAL 79 -1.327 3.294 -11.789 493 HG22 VAL 79 HG22 VAL 79 -1.863 4.436 -10.559 494 HG23 VAL 79 HG23 VAL 79 -2.139 4.789 -12.265 495 H THR 80 HN THR 80 -4.309 0.475 -12.096 496 HA THR 80 HA THR 80 -7.067 0.330 -11.500 497 HB THR 80 HB THR 80 -5.320 -1.725 -12.936 498 HG1 THR 80 HG1 THR 80 -6.581 0.678 -13.784 499 HG21 THR 80 HG21 THR 80 -8.325 -1.228 -13.158 500 HG22 THR 80 HG22 THR 80 -7.572 -2.638 -12.416 501 HG23 THR 80 HG23 THR 80 -7.394 -2.360 -14.146 502 H ALA 81 HN ALA 81 -4.288 -1.444 -10.255 503 HA ALA 81 HA ALA 81 -5.720 -3.549 -8.935 504 HB1 ALA 81 HB1 ALA 81 -3.527 -4.120 -7.953 505 HB2 ALA 81 HB2 ALA 81 -2.846 -2.606 -8.564 506 HB3 ALA 81 HB3 ALA 81 -3.382 -3.856 -9.691 507 H TYR 82 HN TYR 82 -4.293 -0.459 -8.044 508 HA TYR 82 HA TYR 82 -4.712 -0.348 -5.297 509 HB2 TYR 82 HB2 TYR 82 -3.429 1.372 -6.325 510 HB3 TYR 82 HB1 TYR 82 -4.678 1.740 -7.497 511 HD1 TYR 82 HD2 TYR 82 -3.632 2.233 -3.955 512 HD2 TYR 82 HD1 TYR 82 -6.420 3.359 -7.001 513 HE1 TYR 82 HE2 TYR 82 -4.345 4.158 -2.601 514 HE2 TYR 82 HE1 TYR 82 -7.115 5.295 -5.665 515 HH TYR 82 HH TYR 82 -7.105 5.969 -3.263 516 H ASN 83 HN ASN 83 -6.922 0.754 -7.912 517 HA ASN 83 HA ASN 83 -9.077 1.458 -6.196 518 HB2 ASN 83 HB2 ASN 83 -9.116 0.803 -9.175 519 HB3 ASN 83 HB1 ASN 83 -10.476 1.493 -8.293 520 HD21 ASN 83 HD21 ASN 83 -7.625 2.210 -10.014 521 HD22 ASN 83 HD22 ASN 83 -7.563 3.903 -9.659 522 H HIS 84 HN HIS 84 -8.300 -1.501 -7.978 523 HA HIS 84 HA HIS 84 -10.729 -2.925 -7.507 524 HB2 HIS 84 HB2 HIS 84 -8.974 -3.367 -9.335 525 HB3 HIS 84 HB1 HIS 84 -7.997 -4.152 -8.104 526 HD1 HIS 84 HD1 HIS 84 -8.302 -6.139 -9.912 527 HD2 HIS 84 HD2 HIS 84 -11.665 -5.136 -7.691 528 HE1 HIS 84 HE1 HIS 84 -9.879 -8.069 -10.182 529 HE2 HIS 84 HE2 HIS 84 -11.960 -7.388 -8.932 530 H LEU 85 HN LEU 85 -7.813 -2.428 -5.652 531 HA LEU 85 HA LEU 85 -7.794 -4.629 -3.901 532 HB2 LEU 85 HB2 LEU 85 -6.045 -2.766 -4.316 533 HB3 LEU 85 HB1 LEU 85 -6.977 -1.767 -3.256 534 HG LEU 85 HG LEU 85 -4.786 -3.307 -2.536 535 HD11 LEU 85 HD11 LEU 85 -5.294 -2.727 -0.214 536 HD12 LEU 85 HD12 LEU 85 -6.919 -2.230 -0.704 537 HD13 LEU 85 HD13 LEU 85 -5.505 -1.373 -1.327 538 HD21 LEU 85 HD21 LEU 85 -5.519 -5.058 -1.010 539 HD22 LEU 85 HD22 LEU 85 -5.986 -5.408 -2.672 540 HD23 LEU 85 HD23 LEU 85 -7.193 -4.819 -1.525 541 H PHE 86 HN PHE 86 -9.124 -1.373 -3.516 542 HA PHE 86 HA PHE 86 -10.473 -1.866 -1.032 543 HB2 PHE 86 HB2 PHE 86 -10.958 0.443 -2.945 544 HB3 PHE 86 HB1 PHE 86 -11.259 0.410 -1.211 545 HD1 PHE 86 HD2 PHE 86 -9.057 -0.042 0.294 546 HD2 PHE 86 HD1 PHE 86 -9.004 1.448 -3.699 547 HE1 PHE 86 HE2 PHE 86 -6.828 0.966 0.678 548 HE2 PHE 86 HE1 PHE 86 -6.808 2.437 -3.296 549 HZ PHE 86 HZ PHE 86 -5.714 2.200 -1.114 550 H GLU 87 HN GLU 87 -11.325 -2.150 -4.398 551 HA GLU 87 HA GLU 87 -14.170 -1.887 -4.167 552 HB2 GLU 87 HB2 GLU 87 -12.832 -1.329 -6.197 553 HB3 GLU 87 HB1 GLU 87 -12.471 -3.032 -6.431 554 HG2 GLU 87 HG2 GLU 87 -15.323 -2.030 -6.406 555 HG3 GLU 87 HG1 GLU 87 -14.335 -1.866 -7.850 556 H THR 88 HN THR 88 -11.942 -4.585 -3.899 557 HA THR 88 HA THR 88 -14.218 -6.459 -3.562 558 HB THR 88 HB THR 88 -12.458 -8.269 -4.046 559 HG1 THR 88 HG1 THR 88 -10.954 -6.321 -5.378 560 HG21 THR 88 HG21 THR 88 -14.119 -7.646 -5.770 561 HG22 THR 88 HG22 THR 88 -12.554 -8.013 -6.500 562 HG23 THR 88 HG23 THR 88 -13.068 -6.335 -6.314 563 H LYS 89 HN LYS 89 -11.789 -4.779 -1.932 564 HA LYS 89 HA LYS 89 -11.049 -4.706 0.209 565 HB2 LYS 89 HB2 LYS 89 -13.430 -6.541 0.740 566 HB3 LYS 89 HB1 LYS 89 -12.540 -5.653 1.978 567 HG2 LYS 89 HG2 LYS 89 -13.335 -3.532 1.154 568 HG3 LYS 89 HG1 LYS 89 -14.002 -4.272 -0.308 569 HD2 LYS 89 HD2 LYS 89 -14.999 -4.759 2.537 570 HD3 LYS 89 HD1 LYS 89 -15.779 -3.717 1.344 571 HE2 LYS 89 HE2 LYS 89 -16.195 -5.656 -0.109 572 HE3 LYS 89 HE1 LYS 89 -15.339 -6.711 1.013 573 HZ1 LYS 89 HZ1 LYS 89 -17.712 -6.889 1.241 574 HZ2 LYS 89 HZ2 LYS 89 -17.847 -5.245 1.594 575 HZ3 LYS 89 HZ3 LYS 89 -17.038 -6.271 2.661 576 H ARG 90 HN ARG 90 -9.760 -6.570 -1.454 577 HA ARG 90 HA ARG 90 -9.592 -9.225 -0.490 578 HB2 ARG 90 HB2 ARG 90 -7.749 -7.567 -2.232 579 HB3 ARG 90 HB1 ARG 90 -7.449 -9.272 -1.895 580 HG2 ARG 90 HG2 ARG 90 -9.548 -9.908 -2.936 581 HG3 ARG 90 HG1 ARG 90 -9.983 -8.215 -3.170 582 HD2 ARG 90 HD2 ARG 90 -8.101 -7.907 -4.683 583 HD3 ARG 90 HD1 ARG 90 -7.586 -9.574 -4.409 584 HE ARG 90 HE ARG 90 -10.116 -9.873 -5.307 585 HH11 ARG 90 HH11 ARG 90 -7.491 -7.963 -6.576 586 HH12 ARG 90 HH12 ARG 90 -7.813 -8.374 -8.227 587 HH21 ARG 90 HH21 ARG 90 -10.591 -10.360 -7.461 588 HH22 ARG 90 HH22 ARG 90 -9.596 -9.721 -8.731 589 H PHE 91 HN PHE 91 -8.147 -6.393 0.701 590 HA PHE 91 HA PHE 91 -5.976 -7.536 2.151 591 HB2 PHE 91 HB2 PHE 91 -6.141 -5.358 3.485 592 HB3 PHE 91 HB1 PHE 91 -5.837 -5.204 1.760 593 HD1 PHE 91 HD2 PHE 91 -8.451 -4.760 4.403 594 HD2 PHE 91 HD1 PHE 91 -7.378 -4.106 0.328 595 HE1 PHE 91 HE2 PHE 91 -10.312 -3.171 4.147 596 HE2 PHE 91 HE1 PHE 91 -9.210 -2.528 0.072 597 HZ PHE 91 HZ PHE 91 -10.697 -2.050 1.989 598 H LYS 92 HN LYS 92 -5.825 -7.731 4.446 599 HA LYS 92 HA LYS 92 -8.367 -8.068 5.934 600 HB2 LYS 92 HB2 LYS 92 -6.976 -10.181 5.630 601 HB3 LYS 92 HB1 LYS 92 -5.682 -9.417 6.532 602 HG2 LYS 92 HG2 LYS 92 -8.431 -9.861 7.739 603 HG3 LYS 92 HG1 LYS 92 -7.187 -11.111 7.756 604 HD2 LYS 92 HD2 LYS 92 -5.679 -9.535 9.001 605 HD3 LYS 92 HD1 LYS 92 -6.996 -8.360 9.055 606 HE2 LYS 92 HE2 LYS 92 -6.869 -9.578 11.166 607 HE3 LYS 92 HE1 LYS 92 -8.368 -9.985 10.331 608 HZ1 LYS 92 HZ1 LYS 92 -7.312 -11.937 11.268 609 HZ2 LYS 92 HZ2 LYS 92 -5.905 -11.651 10.374 610 HZ3 LYS 92 HZ3 LYS 92 -7.344 -12.040 9.581 Start of MODEL 16 1 H MET 20 H MET 20 -10.729 -9.814 17.375 2 HA MET 20 HA MET 20 -8.611 -10.273 16.330 3 HB2 MET 20 HB2 MET 20 -10.693 -10.659 15.074 4 HB3 MET 20 HB1 MET 20 -10.707 -8.989 14.519 5 HG2 MET 20 HG2 MET 20 -9.961 -10.517 12.761 6 HG3 MET 20 HG1 MET 20 -8.672 -9.396 13.211 7 HE1 MET 20 HE1 MET 20 -6.984 -11.013 11.884 8 HE2 MET 20 HE2 MET 20 -8.259 -12.183 11.541 9 HE3 MET 20 HE3 MET 20 -6.749 -12.714 12.278 10 H ALA 21 HN ALA 21 -6.663 -9.301 16.314 11 HA ALA 21 HA ALA 21 -6.222 -6.517 15.744 12 HB1 ALA 21 HB1 ALA 21 -3.821 -7.084 15.913 13 HB2 ALA 21 HB2 ALA 21 -4.222 -8.803 15.955 14 HB3 ALA 21 HB3 ALA 21 -4.727 -7.746 17.275 15 H ALA 22 HN ALA 22 -7.051 -6.096 13.711 16 HA ALA 22 HA ALA 22 -5.493 -7.026 11.400 17 HB1 ALA 22 HB1 ALA 22 -8.535 -7.223 11.498 18 HB2 ALA 22 HB2 ALA 22 -7.413 -8.585 11.526 19 HB3 ALA 22 HB3 ALA 22 -7.513 -7.557 10.094 20 H ALA 23 HN ALA 23 -4.647 -4.929 11.359 21 HA ALA 23 HA ALA 23 -6.311 -2.568 11.194 22 HB1 ALA 23 HB1 ALA 23 -4.195 -1.343 10.803 23 HB2 ALA 23 HB2 ALA 23 -3.323 -2.875 10.674 24 HB3 ALA 23 HB3 ALA 23 -4.068 -2.412 12.205 25 H VAL 24 HN VAL 24 -7.639 -2.675 9.392 26 HA VAL 24 HA VAL 24 -6.853 -3.525 6.807 27 HB VAL 24 HB VAL 24 -8.935 -2.407 5.968 28 HG11 VAL 24 HG11 VAL 24 -9.040 -4.696 6.842 29 HG12 VAL 24 HG12 VAL 24 -10.532 -3.835 7.221 30 HG13 VAL 24 HG13 VAL 24 -9.319 -4.088 8.478 31 HG21 VAL 24 HG21 VAL 24 -10.510 -1.325 7.572 32 HG22 VAL 24 HG22 VAL 24 -9.005 -0.417 7.418 33 HG23 VAL 24 HG23 VAL 24 -9.281 -1.429 8.837 34 HA PRO 25 HA PRO 25 -4.221 -0.104 5.721 35 HB2 PRO 25 HB2 PRO 25 -4.018 -0.435 3.019 36 HB3 PRO 25 HB1 PRO 25 -3.280 -1.564 4.167 37 HG2 PRO 25 HG2 PRO 25 -5.936 -1.793 2.736 38 HG3 PRO 25 HG1 PRO 25 -4.644 -3.008 2.881 39 HD2 PRO 25 HD2 PRO 25 -6.803 -3.071 4.498 40 HD3 PRO 25 HD1 PRO 25 -5.195 -3.521 5.105 41 H GLN 26 HN GLN 26 -4.063 1.774 4.278 42 HA GLN 26 HA GLN 26 -6.690 3.012 3.668 43 HB2 GLN 26 HB2 GLN 26 -5.698 5.164 4.380 44 HB3 GLN 26 HB1 GLN 26 -5.663 3.994 5.694 45 HG2 GLN 26 HG2 GLN 26 -3.255 3.555 5.188 46 HG3 GLN 26 HG1 GLN 26 -3.316 4.814 3.954 47 HE21 GLN 26 HE21 GLN 26 -1.628 4.696 6.351 48 HE22 GLN 26 HE22 GLN 26 -1.998 6.113 7.271 49 H ARG 27 HN ARG 27 -6.809 4.197 1.754 50 HA ARG 27 HA ARG 27 -4.805 3.856 -0.264 51 HB2 ARG 27 HB2 ARG 27 -7.058 4.004 -0.998 52 HB3 ARG 27 HB1 ARG 27 -7.342 5.515 -0.140 53 HG2 ARG 27 HG2 ARG 27 -5.947 6.732 -1.709 54 HG3 ARG 27 HG1 ARG 27 -5.434 5.233 -2.480 55 HD2 ARG 27 HD2 ARG 27 -7.119 6.426 -3.818 56 HD3 ARG 27 HD1 ARG 27 -7.697 4.839 -3.307 57 HE ARG 27 HE ARG 27 -8.611 6.551 -1.387 58 HH11 ARG 27 HH11 ARG 27 -9.008 6.474 -4.888 59 HH12 ARG 27 HH12 ARG 27 -10.595 7.166 -4.821 60 HH21 ARG 27 HH21 ARG 27 -10.648 7.441 -1.325 61 HH22 ARG 27 HH22 ARG 27 -11.526 7.717 -2.798 62 H ALA 28 HN ALA 28 -2.962 4.789 -0.143 63 HA ALA 28 HA ALA 28 -2.479 7.152 1.502 64 HB1 ALA 28 HB1 ALA 28 -0.521 5.273 0.129 65 HB2 ALA 28 HB2 ALA 28 -1.081 5.130 1.795 66 HB3 ALA 28 HB3 ALA 28 -0.111 6.520 1.310 67 H TRP 29 HN TRP 29 -2.898 6.426 -1.807 68 HA TRP 29 HA TRP 29 -1.624 8.934 -2.719 69 HB2 TRP 29 HB2 TRP 29 -1.503 6.257 -4.201 70 HB3 TRP 29 HB1 TRP 29 -0.863 7.789 -4.787 71 HD1 TRP 29 HD1 TRP 29 1.147 8.866 -2.976 72 HE1 TRP 29 HE1 TRP 29 3.083 7.547 -1.922 73 HE3 TRP 29 HE3 TRP 29 -0.706 4.129 -3.483 74 HZ2 TRP 29 HZ2 TRP 29 3.735 4.884 -1.374 75 HZ3 TRP 29 HZ3 TRP 29 0.650 2.240 -2.662 76 HH2 TRP 29 HH2 TRP 29 2.829 2.617 -1.625 77 H THR 30 HN THR 30 -2.807 10.065 -4.107 78 HA THR 30 HA THR 30 -5.484 9.267 -4.860 79 HB THR 30 HB THR 30 -5.546 11.527 -5.956 80 HG1 THR 30 HG1 THR 30 -3.180 12.386 -4.855 81 HG21 THR 30 HG21 THR 30 -4.456 11.613 -3.108 82 HG22 THR 30 HG22 THR 30 -6.149 11.373 -3.548 83 HG23 THR 30 HG23 THR 30 -5.352 12.902 -3.911 84 H VAL 31 HN VAL 31 -6.065 9.586 -7.302 85 HA VAL 31 HA VAL 31 -4.638 7.591 -8.694 86 HB VAL 31 HB VAL 31 -7.069 8.044 -9.021 87 HG11 VAL 31 HG11 VAL 31 -7.835 9.773 -10.598 88 HG12 VAL 31 HG12 VAL 31 -6.191 10.401 -10.727 89 HG13 VAL 31 HG13 VAL 31 -7.052 10.490 -9.188 90 HG21 VAL 31 HG21 VAL 31 -7.135 7.462 -11.423 91 HG22 VAL 31 HG22 VAL 31 -5.861 6.575 -10.583 92 HG23 VAL 31 HG23 VAL 31 -5.449 7.959 -11.597 93 H GLU 32 HN GLU 32 -4.394 11.103 -8.771 94 HA GLU 32 HA GLU 32 -2.696 11.339 -11.038 95 HB2 GLU 32 HB2 GLU 32 -2.204 13.599 -10.289 96 HB3 GLU 32 HB1 GLU 32 -3.924 13.286 -10.090 97 HG2 GLU 32 HG2 GLU 32 -3.687 13.060 -7.705 98 HG3 GLU 32 HG1 GLU 32 -1.930 13.095 -7.817 99 H GLN 33 HN GLN 33 -2.033 10.890 -7.546 100 HA GLN 33 HA GLN 33 0.791 11.103 -7.648 101 HB2 GLN 33 HB2 GLN 33 -1.045 9.666 -5.704 102 HB3 GLN 33 HB1 GLN 33 0.700 9.757 -5.470 103 HG2 GLN 33 HG2 GLN 33 0.557 12.221 -5.387 104 HG3 GLN 33 HG1 GLN 33 -1.187 12.118 -5.627 105 HE21 GLN 33 HE21 GLN 33 1.432 11.376 -3.403 106 HE22 GLN 33 HE22 GLN 33 0.449 11.281 -1.993 107 H LEU 34 HN LEU 34 -1.416 8.387 -8.023 108 HA LEU 34 HA LEU 34 0.398 6.241 -8.023 109 HB2 LEU 34 HB2 LEU 34 -2.282 6.593 -9.393 110 HB3 LEU 34 HB1 LEU 34 -1.431 5.057 -9.336 111 HG LEU 34 HG LEU 34 -2.322 6.559 -6.849 112 HD11 LEU 34 HD11 LEU 34 -3.730 4.246 -8.212 113 HD12 LEU 34 HD12 LEU 34 -4.264 5.926 -8.249 114 HD13 LEU 34 HD13 LEU 34 -4.213 5.059 -6.720 115 HD21 LEU 34 HD21 LEU 34 -1.343 3.703 -7.228 116 HD22 LEU 34 HD22 LEU 34 -1.892 4.420 -5.709 117 HD23 LEU 34 HD23 LEU 34 -0.432 5.026 -6.488 118 H ARG 35 HN ARG 35 -1.047 8.052 -10.738 119 HA ARG 35 HA ARG 35 0.356 6.606 -12.786 120 HB2 ARG 35 HB2 ARG 35 -0.717 8.131 -14.361 121 HB3 ARG 35 HB1 ARG 35 -1.897 7.643 -13.148 122 HG2 ARG 35 HG2 ARG 35 -1.473 9.823 -11.955 123 HG3 ARG 35 HG1 ARG 35 -0.453 10.317 -13.307 124 HD2 ARG 35 HD2 ARG 35 -3.393 9.596 -13.504 125 HD3 ARG 35 HD1 ARG 35 -2.756 11.239 -13.421 126 HE ARG 35 HE ARG 35 -1.471 10.099 -15.562 127 HH11 ARG 35 HH11 ARG 35 -4.846 10.630 -14.724 128 HH12 ARG 35 HH12 ARG 35 -5.350 10.806 -16.377 129 HH21 ARG 35 HH21 ARG 35 -2.137 10.365 -17.706 130 HH22 ARG 35 HH22 ARG 35 -3.806 10.659 -18.072 131 H SER 36 HN SER 36 1.096 9.374 -10.820 132 HA SER 36 HA SER 36 2.811 10.813 -12.538 133 HB2 SER 36 HB2 SER 36 1.886 11.753 -10.410 134 HB3 SER 36 HB1 SER 36 2.943 10.684 -9.494 135 HG SER 36 HG SER 36 3.806 12.681 -11.340 136 H GLU 37 HN GLU 37 4.772 10.337 -13.260 137 HA GLU 37 HA GLU 37 6.067 7.876 -12.747 138 HB2 GLU 37 HB2 GLU 37 7.834 8.736 -14.259 139 HB3 GLU 37 HB1 GLU 37 6.216 8.966 -14.910 140 HG2 GLU 37 HG2 GLU 37 6.277 11.345 -14.288 141 HG3 GLU 37 HG1 GLU 37 7.877 11.131 -13.575 142 H GLN 38 HN GLN 38 6.333 10.939 -11.195 143 HA GLN 38 HA GLN 38 8.942 10.703 -10.066 144 HB2 GLN 38 HB2 GLN 38 6.537 12.327 -9.124 145 HB3 GLN 38 HB1 GLN 38 8.193 12.533 -8.548 146 HG2 GLN 38 HG2 GLN 38 8.917 13.202 -10.794 147 HG3 GLN 38 HG1 GLN 38 7.288 12.938 -11.420 148 HE21 GLN 38 HE21 GLN 38 8.912 15.398 -11.401 149 HE22 GLN 38 HE22 GLN 38 7.960 16.583 -10.583 150 H LEU 39 HN LEU 39 5.757 9.456 -9.119 151 HA LEU 39 HA LEU 39 6.737 8.329 -6.617 152 HB2 LEU 39 HB2 LEU 39 4.322 8.916 -6.847 153 HB3 LEU 39 HB1 LEU 39 4.164 7.765 -8.162 154 HG LEU 39 HG LEU 39 4.732 5.910 -6.540 155 HD11 LEU 39 HD11 LEU 39 4.488 8.032 -4.390 156 HD12 LEU 39 HD12 LEU 39 5.961 7.183 -4.862 157 HD13 LEU 39 HD13 LEU 39 4.631 6.289 -4.135 158 HD21 LEU 39 HD21 LEU 39 2.531 5.822 -5.463 159 HD22 LEU 39 HD22 LEU 39 2.405 6.363 -7.135 160 HD23 LEU 39 HD23 LEU 39 2.269 7.535 -5.821 161 HA PRO 40 HA PRO 40 8.601 4.879 -8.992 162 HB2 PRO 40 HB2 PRO 40 9.475 3.440 -6.778 163 HB3 PRO 40 HB1 PRO 40 10.368 4.771 -7.512 164 HG2 PRO 40 HG2 PRO 40 8.604 4.783 -5.084 165 HG3 PRO 40 HG1 PRO 40 10.151 5.610 -5.348 166 HD2 PRO 40 HD2 PRO 40 7.767 6.904 -5.512 167 HD3 PRO 40 HD1 PRO 40 9.155 7.366 -6.520 168 H LYS 41 HN LYS 41 7.822 2.963 -9.650 169 HA LYS 41 HA LYS 41 5.210 2.088 -9.066 170 HB2 LYS 41 HB2 LYS 41 7.520 0.657 -10.452 171 HB3 LYS 41 HB1 LYS 41 5.859 0.073 -10.451 172 HG2 LYS 41 HG2 LYS 41 5.211 2.275 -11.572 173 HG3 LYS 41 HG1 LYS 41 6.939 2.585 -11.771 174 HD2 LYS 41 HD2 LYS 41 5.373 0.235 -12.914 175 HD3 LYS 41 HD1 LYS 41 5.994 1.616 -13.820 176 HE2 LYS 41 HE2 LYS 41 8.304 0.922 -13.294 177 HE3 LYS 41 HE1 LYS 41 7.688 -0.441 -12.362 178 HZ1 LYS 41 HZ1 LYS 41 6.681 -1.299 -14.381 179 HZ2 LYS 41 HZ2 LYS 41 8.356 -1.131 -14.529 180 HZ3 LYS 41 HZ3 LYS 41 7.326 -0.012 -15.269 181 H LYS 42 HN LYS 42 8.343 1.152 -7.812 182 HA LYS 42 HA LYS 42 7.663 -1.305 -6.561 183 HB2 LYS 42 HB2 LYS 42 9.810 -1.051 -5.367 184 HB3 LYS 42 HB1 LYS 42 9.997 -0.666 -7.077 185 HG2 LYS 42 HG2 LYS 42 9.882 1.749 -6.521 186 HG3 LYS 42 HG1 LYS 42 9.761 1.336 -4.810 187 HD2 LYS 42 HD2 LYS 42 12.042 1.974 -5.338 188 HD3 LYS 42 HD1 LYS 42 11.990 0.260 -4.929 189 HE2 LYS 42 HE2 LYS 42 12.253 -0.382 -7.236 190 HE3 LYS 42 HE1 LYS 42 11.976 1.272 -7.794 191 HZ1 LYS 42 HZ1 LYS 42 14.321 0.644 -7.810 192 HZ2 LYS 42 HZ2 LYS 42 14.279 0.412 -6.136 193 HZ3 LYS 42 HZ3 LYS 42 14.019 1.953 -6.784 194 H ASP 43 HN ASP 43 7.360 2.068 -5.560 195 HA ASP 43 HA ASP 43 7.080 1.624 -2.754 196 HB2 ASP 43 HB2 ASP 43 7.451 3.881 -4.176 197 HB3 ASP 43 HB1 ASP 43 5.706 3.999 -4.040 198 H ILE 44 HN ILE 44 4.845 1.794 -5.473 199 HA ILE 44 HA ILE 44 2.394 1.577 -4.050 200 HB ILE 44 HB ILE 44 2.881 0.665 -6.925 201 HG12 ILE 44 HG12 ILE 44 2.190 3.496 -5.993 202 HG13 ILE 44 HG11 ILE 44 3.766 2.987 -6.591 203 HG21 ILE 44 HG21 ILE 44 0.343 1.721 -5.612 204 HG22 ILE 44 HG22 ILE 44 0.678 0.026 -5.979 205 HG23 ILE 44 HG23 ILE 44 0.502 1.194 -7.290 206 HD11 ILE 44 HD11 ILE 44 1.198 3.046 -8.190 207 HD12 ILE 44 HD12 ILE 44 2.772 2.512 -8.789 208 HD13 ILE 44 HD13 ILE 44 2.539 4.187 -8.293 209 H ILE 45 HN ILE 45 4.362 -0.847 -5.819 210 HA ILE 45 HA ILE 45 2.792 -3.138 -5.278 211 HB ILE 45 HB ILE 45 5.788 -2.930 -5.812 212 HG12 ILE 45 HG12 ILE 45 3.553 -3.510 -7.799 213 HG13 ILE 45 HG11 ILE 45 4.223 -1.906 -7.531 214 HG21 ILE 45 HG21 ILE 45 4.002 -5.383 -6.092 215 HG22 ILE 45 HG22 ILE 45 5.274 -5.154 -4.890 216 HG23 ILE 45 HG23 ILE 45 5.693 -5.272 -6.596 217 HD11 ILE 45 HD11 ILE 45 5.137 -2.963 -9.513 218 HD12 ILE 45 HD12 ILE 45 5.773 -4.288 -8.540 219 HD13 ILE 45 HD13 ILE 45 6.390 -2.650 -8.315 220 H LYS 46 HN LYS 46 5.451 -1.685 -3.487 221 HA LYS 46 HA LYS 46 5.972 -3.509 -1.457 222 HB2 LYS 46 HB2 LYS 46 7.279 -1.463 -1.783 223 HB3 LYS 46 HB1 LYS 46 5.879 -0.468 -1.415 224 HG2 LYS 46 HG2 LYS 46 5.956 -1.439 0.947 225 HG3 LYS 46 HG1 LYS 46 7.505 -2.160 0.507 226 HD2 LYS 46 HD2 LYS 46 7.831 -0.033 1.703 227 HD3 LYS 46 HD1 LYS 46 8.439 0.074 0.048 228 HE2 LYS 46 HE2 LYS 46 6.343 1.248 -0.618 229 HE3 LYS 46 HE1 LYS 46 5.778 1.163 1.053 230 HZ1 LYS 46 HZ1 LYS 46 7.555 2.573 1.733 231 HZ2 LYS 46 HZ2 LYS 46 6.779 3.308 0.418 232 HZ3 LYS 46 HZ3 LYS 46 8.265 2.528 0.201 233 H PHE 47 HN PHE 47 3.531 -0.963 -1.646 234 HA PHE 47 HA PHE 47 2.245 -1.412 0.847 235 HB2 PHE 47 HB2 PHE 47 1.956 0.736 -0.208 236 HB3 PHE 47 HB1 PHE 47 1.405 0.005 -1.714 237 HD1 PHE 47 HD2 PHE 47 0.444 -0.066 1.874 238 HD2 PHE 47 HD1 PHE 47 -0.896 0.194 -2.128 239 HE1 PHE 47 HE2 PHE 47 -1.869 0.121 2.686 240 HE2 PHE 47 HE1 PHE 47 -3.215 0.349 -1.344 241 HZ PHE 47 HZ PHE 47 -3.713 0.322 1.067 242 H LEU 48 HN LEU 48 1.579 -2.552 -2.440 243 HA LEU 48 HA LEU 48 -0.989 -3.660 -1.975 244 HB2 LEU 48 HB2 LEU 48 1.008 -4.311 -4.178 245 HB3 LEU 48 HB1 LEU 48 -0.712 -4.692 -4.213 246 HG LEU 48 HG LEU 48 0.458 -1.881 -4.147 247 HD11 LEU 48 HD11 LEU 48 -0.798 -3.377 -6.479 248 HD12 LEU 48 HD12 LEU 48 0.912 -2.974 -6.290 249 HD13 LEU 48 HD13 LEU 48 -0.276 -1.687 -6.486 250 HD21 LEU 48 HD21 LEU 48 -2.425 -2.769 -4.413 251 HD22 LEU 48 HD22 LEU 48 -1.834 -1.120 -4.632 252 HD23 LEU 48 HD23 LEU 48 -1.688 -1.899 -3.059 253 H GLN 49 HN GLN 49 2.268 -5.047 -1.805 254 HA GLN 49 HA GLN 49 1.285 -7.733 -1.233 255 HB2 GLN 49 HB2 GLN 49 3.571 -8.446 -1.120 256 HB3 GLN 49 HB1 GLN 49 3.419 -7.378 -2.510 257 HG2 GLN 49 HG2 GLN 49 4.485 -5.557 -1.257 258 HG3 GLN 49 HG1 GLN 49 4.561 -6.573 0.183 259 HE21 GLN 49 HE21 GLN 49 5.266 -7.616 -3.153 260 HE22 GLN 49 HE22 GLN 49 6.942 -7.924 -2.877 261 H GLU 50 HN GLU 50 2.317 -4.911 0.516 262 HA GLU 50 HA GLU 50 2.876 -6.001 3.061 263 HB2 GLU 50 HB2 GLU 50 3.522 -3.710 2.571 264 HB3 GLU 50 HB1 GLU 50 1.870 -3.251 2.214 265 HG2 GLU 50 HG2 GLU 50 2.656 -2.319 4.351 266 HG3 GLU 50 HG1 GLU 50 1.256 -3.369 4.553 267 H HIS 51 HN HIS 51 -0.210 -4.794 1.666 268 HA HIS 51 HA HIS 51 -1.672 -6.174 3.800 269 HB2 HIS 51 HB2 HIS 51 -1.330 -3.235 3.682 270 HB3 HIS 51 HB1 HIS 51 -3.014 -3.725 3.800 271 HD1 HIS 51 HD1 HIS 51 0.232 -4.688 5.582 272 HD2 HIS 51 HD2 HIS 51 -3.786 -4.022 6.372 273 HE1 HIS 51 HE1 HIS 51 -0.038 -5.077 8.041 274 HE2 HIS 51 HE2 HIS 51 -2.499 -4.775 8.476 275 H GLY 52 HN GLY 52 -1.412 -6.164 0.712 276 HA2 GLY 52 HA2 GLY 52 -4.238 -6.607 0.116 277 HA3 GLY 52 HA1 GLY 52 -2.853 -7.082 -0.873 278 H SER 53 HN SER 53 -3.530 -9.257 -1.146 279 HA SER 53 HA SER 53 -2.758 -10.996 1.073 280 HB2 SER 53 HB2 SER 53 -5.238 -10.755 1.330 281 HB3 SER 53 HB1 SER 53 -5.460 -11.371 -0.308 282 HG SER 53 HG SER 53 -5.699 -12.997 1.303 283 H ASP 54 HN ASP 54 -2.572 -13.277 0.333 284 HA ASP 54 HA ASP 54 -0.691 -13.465 -1.687 285 HB2 ASP 54 HB2 ASP 54 -0.957 -15.959 -1.465 286 HB3 ASP 54 HB1 ASP 54 -0.774 -15.127 0.076 287 H SER 55 HN SER 55 -4.156 -14.057 -1.888 288 HA SER 55 HA SER 55 -4.220 -15.218 -4.495 289 HB2 SER 55 HB2 SER 55 -6.444 -13.801 -2.956 290 HB3 SER 55 HB1 SER 55 -6.658 -14.900 -4.322 291 HG SER 55 HG SER 55 -5.236 -16.289 -2.695 292 H PHE 56 HN PHE 56 -4.796 -11.902 -3.272 293 HA PHE 56 HA PHE 56 -5.288 -10.545 -5.691 294 HB2 PHE 56 HB2 PHE 56 -5.752 -9.478 -3.553 295 HB3 PHE 56 HB1 PHE 56 -4.072 -9.617 -3.052 296 HD1 PHE 56 HD1 PHE 56 -6.170 -8.030 -5.745 297 HD2 PHE 56 HD2 PHE 56 -2.689 -7.724 -3.271 298 HE1 PHE 56 HE1 PHE 56 -5.736 -5.772 -6.613 299 HE2 PHE 56 HE2 PHE 56 -2.271 -5.471 -4.151 300 HZ PHE 56 HZ PHE 56 -3.795 -4.491 -5.817 301 H LEU 57 HN LEU 57 -2.305 -11.445 -4.057 302 HA LEU 57 HA LEU 57 -0.514 -9.989 -5.767 303 HB2 LEU 57 HB2 LEU 57 0.105 -12.278 -3.852 304 HB3 LEU 57 HB1 LEU 57 1.276 -11.170 -4.561 305 HG LEU 57 HG LEU 57 -0.830 -10.538 -2.468 306 HD11 LEU 57 HD11 LEU 57 2.182 -10.401 -2.312 307 HD12 LEU 57 HD12 LEU 57 1.146 -11.635 -1.593 308 HD13 LEU 57 HD13 LEU 57 1.039 -9.971 -1.031 309 HD21 LEU 57 HD21 LEU 57 -0.080 -8.218 -2.481 310 HD22 LEU 57 HD22 LEU 57 -0.762 -8.673 -4.037 311 HD23 LEU 57 HD23 LEU 57 0.990 -8.551 -3.852 312 H ALA 58 HN ALA 58 -1.833 -13.284 -5.691 313 HA ALA 58 HA ALA 58 -0.101 -14.434 -7.635 314 HB1 ALA 58 HB1 ALA 58 -1.412 -15.798 -6.052 315 HB2 ALA 58 HB2 ALA 58 -1.742 -16.276 -7.719 316 HB3 ALA 58 HB3 ALA 58 -2.910 -15.287 -6.834 317 H GLU 59 HN GLU 59 -3.387 -13.043 -7.879 318 HA GLU 59 HA GLU 59 -3.935 -13.443 -10.592 319 HB2 GLU 59 HB2 GLU 59 -4.728 -11.061 -8.850 320 HB3 GLU 59 HB1 GLU 59 -5.480 -11.469 -10.392 321 HG2 GLU 59 HG2 GLU 59 -6.400 -13.494 -9.494 322 HG3 GLU 59 HG1 GLU 59 -5.490 -13.312 -7.992 323 H HIS 60 HN HIS 60 -2.200 -10.778 -9.019 324 HA HIS 60 HA HIS 60 -1.729 -9.472 -11.639 325 HB2 HIS 60 HB2 HIS 60 -1.613 -8.218 -8.866 326 HB3 HIS 60 HB1 HIS 60 -1.561 -7.375 -10.414 327 HD1 HIS 60 HD1 HIS 60 -3.826 -8.251 -7.787 328 HD2 HIS 60 HD2 HIS 60 -4.155 -7.805 -11.905 329 HE1 HIS 60 HE1 HIS 60 -6.275 -7.946 -8.237 330 HE2 HIS 60 HE2 HIS 60 -6.464 -7.907 -10.753 331 H LYS 61 HN LYS 61 -0.120 -11.496 -9.629 332 HA LYS 61 HA LYS 61 2.041 -12.078 -9.262 333 HB2 LYS 61 HB2 LYS 61 2.479 -10.484 -11.820 334 HB3 LYS 61 HB1 LYS 61 3.650 -11.606 -11.128 335 HG2 LYS 61 HG2 LYS 61 2.140 -13.489 -11.482 336 HG3 LYS 61 HG1 LYS 61 0.859 -12.408 -12.046 337 HD2 LYS 61 HD2 LYS 61 3.548 -12.834 -13.417 338 HD3 LYS 61 HD1 LYS 61 2.020 -13.559 -13.922 339 HE2 LYS 61 HE2 LYS 61 1.096 -11.315 -14.375 340 HE3 LYS 61 HE1 LYS 61 2.601 -10.577 -13.830 341 HZ1 LYS 61 HZ1 LYS 61 3.747 -11.683 -15.645 342 HZ2 LYS 61 HZ2 LYS 61 2.509 -10.684 -16.205 343 HZ3 LYS 61 HZ3 LYS 61 2.288 -12.357 -16.179 344 H LEU 62 HN LEU 62 1.198 -9.916 -7.762 345 HA LEU 62 HA LEU 62 3.310 -7.906 -7.664 346 HB2 LEU 62 HB2 LEU 62 0.839 -8.257 -5.929 347 HB3 LEU 62 HB1 LEU 62 1.924 -6.870 -5.885 348 HG LEU 62 HG LEU 62 0.245 -7.686 -8.293 349 HD11 LEU 62 HD11 LEU 62 -1.172 -5.764 -7.792 350 HD12 LEU 62 HD12 LEU 62 -0.251 -5.448 -6.319 351 HD13 LEU 62 HD13 LEU 62 -1.186 -6.936 -6.477 352 HD21 LEU 62 HD21 LEU 62 1.925 -5.192 -7.852 353 HD22 LEU 62 HD22 LEU 62 0.878 -5.502 -9.239 354 HD23 LEU 62 HD23 LEU 62 2.288 -6.517 -8.960 355 H LEU 63 HN LEU 63 2.840 -10.975 -6.453 356 HA LEU 63 HA LEU 63 4.196 -10.790 -3.938 357 HB2 LEU 63 HB2 LEU 63 4.350 -13.356 -4.224 358 HB3 LEU 63 HB1 LEU 63 2.768 -12.618 -4.093 359 HG LEU 63 HG LEU 63 2.597 -12.765 -6.648 360 HD11 LEU 63 HD11 LEU 63 3.938 -14.433 -7.818 361 HD12 LEU 63 HD12 LEU 63 4.949 -14.649 -6.387 362 HD13 LEU 63 HD13 LEU 63 4.927 -13.099 -7.232 363 HD21 LEU 63 HD21 LEU 63 1.344 -14.239 -5.159 364 HD22 LEU 63 HD22 LEU 63 2.702 -15.369 -5.096 365 HD23 LEU 63 HD23 LEU 63 1.846 -15.093 -6.617 366 H GLY 64 HN GLY 64 6.241 -11.827 -3.455 367 HA2 GLY 64 HA2 GLY 64 8.431 -12.512 -3.938 368 HA3 GLY 64 HA1 GLY 64 8.221 -12.012 -5.614 369 H ASN 65 HN ASN 65 10.417 -11.117 -5.168 370 HA ASN 65 HA ASN 65 10.910 -8.943 -3.422 371 HB2 ASN 65 HB2 ASN 65 12.296 -9.697 -6.034 372 HB3 ASN 65 HB1 ASN 65 12.934 -8.556 -4.850 373 HD21 ASN 65 HD21 ASN 65 13.769 -9.359 -2.882 374 HD22 ASN 65 HD22 ASN 65 14.102 -11.036 -2.639 375 H ILE 66 HN ILE 66 10.476 -6.829 -3.599 376 HA ILE 66 HA ILE 66 8.282 -6.018 -5.121 377 HB ILE 66 HB ILE 66 10.316 -4.203 -3.751 378 HG12 ILE 66 HG12 ILE 66 7.791 -5.427 -2.579 379 HG13 ILE 66 HG11 ILE 66 9.421 -6.007 -2.251 380 HG21 ILE 66 HG21 ILE 66 8.455 -2.609 -3.520 381 HG22 ILE 66 HG22 ILE 66 7.388 -3.706 -4.397 382 HG23 ILE 66 HG23 ILE 66 8.765 -2.971 -5.219 383 HD11 ILE 66 HD11 ILE 66 9.974 -3.865 -1.203 384 HD12 ILE 66 HD12 ILE 66 8.587 -4.639 -0.440 385 HD13 ILE 66 HD13 ILE 66 8.339 -3.282 -1.535 386 H LYS 67 HN LYS 67 11.724 -5.138 -5.523 387 HA LYS 67 HA LYS 67 11.401 -3.322 -7.683 388 HB2 LYS 67 HB2 LYS 67 13.874 -3.528 -7.938 389 HB3 LYS 67 HB1 LYS 67 13.379 -3.241 -6.273 390 HG2 LYS 67 HG2 LYS 67 13.661 -5.674 -5.789 391 HG3 LYS 67 HG1 LYS 67 14.249 -5.915 -7.439 392 HD2 LYS 67 HD2 LYS 67 16.134 -4.371 -6.985 393 HD3 LYS 67 HD1 LYS 67 15.542 -4.123 -5.340 394 HE2 LYS 67 HE2 LYS 67 17.387 -5.723 -5.344 395 HE3 LYS 67 HE1 LYS 67 15.895 -6.533 -4.867 396 HZ1 LYS 67 HZ1 LYS 67 17.185 -6.638 -7.542 397 HZ2 LYS 67 HZ2 LYS 67 15.698 -7.345 -7.161 398 HZ3 LYS 67 HZ3 LYS 67 17.107 -7.891 -6.407 399 H ASN 68 HN ASN 68 11.847 -6.814 -7.564 400 HA ASN 68 HA ASN 68 12.393 -7.305 -10.318 401 HB2 ASN 68 HB2 ASN 68 12.811 -9.004 -8.542 402 HB3 ASN 68 HB1 ASN 68 11.080 -9.139 -8.249 403 HD21 ASN 68 HD21 ASN 68 10.494 -11.096 -8.981 404 HD22 ASN 68 HD22 ASN 68 10.900 -11.775 -10.512 405 H VAL 69 HN VAL 69 9.422 -7.187 -8.382 406 HA VAL 69 HA VAL 69 7.567 -7.707 -10.492 407 HB VAL 69 HB VAL 69 7.016 -6.165 -7.910 408 HG11 VAL 69 HG11 VAL 69 4.682 -6.880 -8.234 409 HG12 VAL 69 HG12 VAL 69 5.120 -7.723 -9.720 410 HG13 VAL 69 HG13 VAL 69 5.245 -5.965 -9.632 411 HG21 VAL 69 HG21 VAL 69 6.853 -9.172 -8.362 412 HG22 VAL 69 HG22 VAL 69 6.322 -8.324 -6.906 413 HG23 VAL 69 HG23 VAL 69 8.029 -8.335 -7.350 414 H ALA 70 HN ALA 70 9.117 -4.812 -9.201 415 HA ALA 70 HA ALA 70 7.538 -2.878 -10.653 416 HB1 ALA 70 HB1 ALA 70 8.632 -2.356 -8.487 417 HB2 ALA 70 HB2 ALA 70 9.120 -1.237 -9.764 418 HB3 ALA 70 HB3 ALA 70 10.217 -2.528 -9.250 419 H LYS 71 HN LYS 71 9.860 -5.050 -11.642 420 HA LYS 71 HA LYS 71 10.813 -3.460 -13.904 421 HB2 LYS 71 HB2 LYS 71 12.374 -4.943 -12.662 422 HB3 LYS 71 HB1 LYS 71 11.405 -6.346 -13.107 423 HG2 LYS 71 HG2 LYS 71 11.945 -6.020 -15.465 424 HG3 LYS 71 HG1 LYS 71 12.807 -4.522 -15.101 425 HD2 LYS 71 HD2 LYS 71 13.601 -7.317 -14.176 426 HD3 LYS 71 HD1 LYS 71 14.373 -6.393 -15.471 427 HE2 LYS 71 HE2 LYS 71 14.977 -4.637 -13.788 428 HE3 LYS 71 HE1 LYS 71 14.307 -5.668 -12.519 429 HZ1 LYS 71 HZ1 LYS 71 15.933 -7.348 -13.110 430 HZ2 LYS 71 HZ2 LYS 71 16.683 -5.897 -12.676 431 HZ3 LYS 71 HZ3 LYS 71 16.572 -6.340 -14.305 432 H THR 72 HN THR 72 8.858 -6.405 -13.255 433 HA THR 72 HA THR 72 8.312 -6.840 -16.079 434 HB THR 72 HB THR 72 8.792 -8.754 -14.568 435 HG1 THR 72 HG1 THR 72 7.352 -8.900 -16.481 436 HG21 THR 72 HG21 THR 72 7.103 -9.584 -12.976 437 HG22 THR 72 HG22 THR 72 6.106 -8.160 -13.273 438 HG23 THR 72 HG23 THR 72 7.685 -7.987 -12.498 439 H ALA 73 HN ALA 73 6.606 -5.595 -13.286 440 HA ALA 73 HA ALA 73 4.026 -5.419 -14.652 441 HB1 ALA 73 HB1 ALA 73 4.031 -6.213 -12.313 442 HB2 ALA 73 HB2 ALA 73 3.128 -4.708 -12.470 443 HB3 ALA 73 HB3 ALA 73 4.755 -4.693 -11.786 444 H ASN 74 HN ASN 74 3.673 -3.685 -15.879 445 HA ASN 74 HA ASN 74 5.031 -1.157 -15.562 446 HB2 ASN 74 HB2 ASN 74 3.599 -0.377 -17.430 447 HB3 ASN 74 HB1 ASN 74 4.354 -1.919 -17.816 448 HD21 ASN 74 HD21 ASN 74 1.837 -0.589 -18.815 449 HD22 ASN 74 HD22 ASN 74 0.609 -1.789 -18.616 450 H LYS 75 HN LYS 75 3.591 0.900 -15.506 451 HA LYS 75 HA LYS 75 2.388 0.904 -12.906 452 HB2 LYS 75 HB2 LYS 75 3.799 2.742 -13.669 453 HB3 LYS 75 HB1 LYS 75 2.676 3.104 -14.977 454 HG2 LYS 75 HG2 LYS 75 1.035 3.950 -13.506 455 HG3 LYS 75 HG1 LYS 75 1.780 3.204 -12.090 456 HD2 LYS 75 HD2 LYS 75 3.084 5.425 -13.701 457 HD3 LYS 75 HD1 LYS 75 2.087 5.700 -12.279 458 HE2 LYS 75 HE2 LYS 75 3.653 4.311 -10.924 459 HE3 LYS 75 HE1 LYS 75 4.685 4.136 -12.347 460 HZ1 LYS 75 HZ1 LYS 75 4.915 6.549 -12.389 461 HZ2 LYS 75 HZ2 LYS 75 5.486 5.885 -10.943 462 HZ3 LYS 75 HZ3 LYS 75 3.988 6.666 -10.977 463 H ASP 76 HN ASP 76 1.143 1.017 -16.206 464 HA ASP 76 HA ASP 76 -1.525 1.729 -15.703 465 HB2 ASP 76 HB2 ASP 76 -0.494 1.640 -17.975 466 HB3 ASP 76 HB1 ASP 76 -0.492 -0.118 -17.898 467 H HIS 77 HN HIS 77 0.112 -1.302 -15.352 468 HA HIS 77 HA HIS 77 -2.086 -3.014 -14.764 469 HB2 HIS 77 HB2 HIS 77 0.063 -3.881 -15.517 470 HB3 HIS 77 HB1 HIS 77 0.909 -3.101 -14.196 471 HD1 HIS 77 HD1 HIS 77 -0.973 -6.146 -15.102 472 HD2 HIS 77 HD2 HIS 77 0.747 -4.456 -11.731 473 HE1 HIS 77 HE1 HIS 77 -0.789 -8.016 -13.440 474 HE2 HIS 77 HE2 HIS 77 0.471 -6.985 -11.511 475 H LEU 78 HN LEU 78 0.161 -1.054 -12.788 476 HA LEU 78 HA LEU 78 -0.542 -2.185 -10.269 477 HB2 LEU 78 HB2 LEU 78 0.847 0.457 -10.836 478 HB3 LEU 78 HB1 LEU 78 0.810 -0.370 -9.279 479 HG LEU 78 HG LEU 78 2.182 -1.330 -11.810 480 HD11 LEU 78 HD11 LEU 78 3.338 0.478 -10.680 481 HD12 LEU 78 HD12 LEU 78 4.233 -1.031 -10.542 482 HD13 LEU 78 HD13 LEU 78 3.315 -0.425 -9.158 483 HD21 LEU 78 HD21 LEU 78 1.987 -2.727 -9.121 484 HD22 LEU 78 HD22 LEU 78 3.004 -3.228 -10.474 485 HD23 LEU 78 HD23 LEU 78 1.255 -3.258 -10.641 486 H VAL 79 HN VAL 79 -1.449 0.906 -11.810 487 HA VAL 79 HA VAL 79 -2.814 2.096 -9.646 488 HB VAL 79 HB VAL 79 -3.325 2.494 -12.635 489 HG11 VAL 79 HG11 VAL 79 -4.027 4.323 -10.302 490 HG12 VAL 79 HG12 VAL 79 -5.174 3.428 -11.297 491 HG13 VAL 79 HG13 VAL 79 -4.223 4.731 -12.007 492 HG21 VAL 79 HG21 VAL 79 -1.410 3.986 -10.792 493 HG22 VAL 79 HG22 VAL 79 -1.750 4.422 -12.470 494 HG23 VAL 79 HG23 VAL 79 -0.962 2.888 -12.096 495 H THR 80 HN THR 80 -3.954 0.018 -12.277 496 HA THR 80 HA THR 80 -6.706 -0.047 -11.695 497 HB THR 80 HB THR 80 -5.059 -2.282 -12.967 498 HG1 THR 80 HG1 THR 80 -4.997 -1.111 -14.741 499 HG21 THR 80 HG21 THR 80 -8.002 -1.567 -13.289 500 HG22 THR 80 HG22 THR 80 -7.379 -2.975 -12.426 501 HG23 THR 80 HG23 THR 80 -7.149 -2.841 -14.171 502 H ALA 81 HN ALA 81 -4.050 -2.170 -10.580 503 HA ALA 81 HA ALA 81 -5.632 -4.037 -9.126 504 HB1 ALA 81 HB1 ALA 81 -3.487 -4.734 -8.093 505 HB2 ALA 81 HB2 ALA 81 -2.701 -3.303 -8.769 506 HB3 ALA 81 HB3 ALA 81 -3.327 -4.557 -9.839 507 H TYR 82 HN TYR 82 -4.016 -1.031 -8.290 508 HA TYR 82 HA TYR 82 -4.185 -1.112 -5.482 509 HB2 TYR 82 HB2 TYR 82 -2.657 0.361 -6.712 510 HB3 TYR 82 HB1 TYR 82 -4.005 1.234 -7.416 511 HD1 TYR 82 HD2 TYR 82 -2.195 0.606 -4.210 512 HD2 TYR 82 HD1 TYR 82 -5.020 3.079 -6.234 513 HE1 TYR 82 HE2 TYR 82 -2.069 2.259 -2.415 514 HE2 TYR 82 HE1 TYR 82 -4.852 4.736 -4.431 515 HH TYR 82 HH TYR 82 -2.355 4.678 -2.190 516 H ASN 83 HN ASN 83 -6.241 0.615 -7.864 517 HA ASN 83 HA ASN 83 -8.080 1.618 -5.917 518 HB2 ASN 83 HB2 ASN 83 -8.212 1.462 -8.950 519 HB3 ASN 83 HB1 ASN 83 -9.500 2.171 -8.002 520 HD21 ASN 83 HD21 ASN 83 -6.477 2.754 -9.469 521 HD22 ASN 83 HD22 ASN 83 -6.217 4.346 -8.845 522 H HIS 84 HN HIS 84 -8.062 -1.227 -8.019 523 HA HIS 84 HA HIS 84 -10.651 -2.252 -7.459 524 HB2 HIS 84 HB2 HIS 84 -9.273 -3.077 -9.349 525 HB3 HIS 84 HB1 HIS 84 -8.082 -3.724 -8.228 526 HD1 HIS 84 HD1 HIS 84 -11.319 -4.488 -9.861 527 HD2 HIS 84 HD2 HIS 84 -8.940 -6.117 -6.867 528 HE1 HIS 84 HE1 HIS 84 -12.186 -6.820 -9.505 529 HE2 HIS 84 HE2 HIS 84 -10.845 -7.718 -7.572 530 H LEU 85 HN LEU 85 -7.633 -2.304 -5.661 531 HA LEU 85 HA LEU 85 -8.039 -4.520 -3.982 532 HB2 LEU 85 HB2 LEU 85 -5.962 -2.927 -4.394 533 HB3 LEU 85 HB1 LEU 85 -6.580 -2.061 -3.017 534 HG LEU 85 HG LEU 85 -5.548 -4.919 -3.062 535 HD11 LEU 85 HD11 LEU 85 -4.413 -2.447 -1.723 536 HD12 LEU 85 HD12 LEU 85 -3.765 -3.268 -3.144 537 HD13 LEU 85 HD13 LEU 85 -3.763 -4.087 -1.586 538 HD21 LEU 85 HD21 LEU 85 -7.375 -4.818 -1.476 539 HD22 LEU 85 HD22 LEU 85 -6.636 -3.424 -0.683 540 HD23 LEU 85 HD23 LEU 85 -5.830 -4.997 -0.647 541 H PHE 86 HN PHE 86 -8.694 -1.078 -3.460 542 HA PHE 86 HA PHE 86 -9.976 -1.402 -0.909 543 HB2 PHE 86 HB2 PHE 86 -10.133 1.000 -2.773 544 HB3 PHE 86 HB1 PHE 86 -10.371 0.995 -1.024 545 HD1 PHE 86 HD2 PHE 86 -8.249 0.053 0.372 546 HD2 PHE 86 HD1 PHE 86 -8.069 1.650 -3.589 547 HE1 PHE 86 HE2 PHE 86 -5.830 0.496 0.634 548 HE2 PHE 86 HE1 PHE 86 -5.688 2.069 -3.299 549 HZ PHE 86 HZ PHE 86 -4.571 1.508 -1.201 550 H GLU 87 HN GLU 87 -11.039 -1.292 -4.241 551 HA GLU 87 HA GLU 87 -13.754 -0.638 -3.998 552 HB2 GLU 87 HB2 GLU 87 -12.503 -0.625 -6.137 553 HB3 GLU 87 HB1 GLU 87 -12.341 -2.373 -6.070 554 HG2 GLU 87 HG2 GLU 87 -14.049 -1.897 -7.643 555 HG3 GLU 87 HG1 GLU 87 -14.845 -2.545 -6.212 556 H THR 88 HN THR 88 -12.105 -3.768 -3.858 557 HA THR 88 HA THR 88 -14.627 -5.155 -3.132 558 HB THR 88 HB THR 88 -13.411 -7.222 -4.162 559 HG1 THR 88 HG1 THR 88 -11.960 -5.184 -5.506 560 HG21 THR 88 HG21 THR 88 -14.135 -6.681 -6.474 561 HG22 THR 88 HG22 THR 88 -14.267 -4.978 -6.031 562 HG23 THR 88 HG23 THR 88 -15.349 -6.165 -5.299 563 H LYS 89 HN LYS 89 -11.887 -4.034 -1.802 564 HA LYS 89 HA LYS 89 -10.601 -4.430 -0.005 565 HB2 LYS 89 HB2 LYS 89 -13.083 -5.937 0.899 566 HB3 LYS 89 HB1 LYS 89 -11.751 -5.490 1.967 567 HG2 LYS 89 HG2 LYS 89 -12.178 -3.098 1.496 568 HG3 LYS 89 HG1 LYS 89 -13.508 -3.547 0.425 569 HD2 LYS 89 HD2 LYS 89 -14.358 -2.846 2.616 570 HD3 LYS 89 HD1 LYS 89 -14.720 -4.550 2.326 571 HE2 LYS 89 HE2 LYS 89 -12.827 -5.200 3.778 572 HE3 LYS 89 HE1 LYS 89 -12.426 -3.500 4.033 573 HZ1 LYS 89 HZ1 LYS 89 -13.682 -4.421 5.872 574 HZ2 LYS 89 HZ2 LYS 89 -14.962 -4.808 4.836 575 HZ3 LYS 89 HZ3 LYS 89 -14.550 -3.193 5.105 576 H ARG 90 HN ARG 90 -9.260 -5.678 -1.534 577 HA ARG 90 HA ARG 90 -9.149 -8.570 -1.404 578 HB2 ARG 90 HB2 ARG 90 -7.023 -6.672 -2.485 579 HB3 ARG 90 HB1 ARG 90 -7.251 -8.368 -2.905 580 HG2 ARG 90 HG2 ARG 90 -9.139 -6.089 -3.592 581 HG3 ARG 90 HG1 ARG 90 -7.998 -6.863 -4.698 582 HD2 ARG 90 HD2 ARG 90 -10.276 -8.283 -3.302 583 HD3 ARG 90 HD1 ARG 90 -10.342 -7.634 -4.929 584 HE ARG 90 HE ARG 90 -8.245 -9.231 -5.184 585 HH11 ARG 90 HH11 ARG 90 -11.290 -9.954 -3.597 586 HH12 ARG 90 HH12 ARG 90 -11.195 -11.646 -3.951 587 HH21 ARG 90 HH21 ARG 90 -8.162 -11.429 -5.651 588 HH22 ARG 90 HH22 ARG 90 -9.436 -12.477 -5.121 589 H PHE 91 HN PHE 91 -8.582 -6.704 1.030 590 HA PHE 91 HA PHE 91 -5.883 -7.016 1.827 591 HB2 PHE 91 HB2 PHE 91 -7.969 -6.846 4.001 592 HB3 PHE 91 HB1 PHE 91 -6.422 -6.034 3.875 593 HD1 PHE 91 HD1 PHE 91 -6.839 -4.599 1.231 594 HD2 PHE 91 HD2 PHE 91 -9.383 -5.138 4.590 595 HE1 PHE 91 HE1 PHE 91 -8.007 -2.513 0.663 596 HE2 PHE 91 HE2 PHE 91 -10.565 -3.041 4.031 597 HZ PHE 91 HZ PHE 91 -9.877 -1.726 2.063 598 H LYS 92 HN LYS 92 -5.173 -8.227 3.726 599 HA LYS 92 HA LYS 92 -6.157 -10.994 3.762 600 HB2 LYS 92 HB2 LYS 92 -3.760 -10.661 3.423 601 HB3 LYS 92 HB1 LYS 92 -3.632 -9.738 4.913 602 HG2 LYS 92 HG2 LYS 92 -4.014 -11.677 6.268 603 HG3 LYS 92 HG1 LYS 92 -4.526 -12.637 4.877 604 HD2 LYS 92 HD2 LYS 92 -1.708 -11.552 5.290 605 HD3 LYS 92 HD1 LYS 92 -2.223 -13.198 5.675 606 HE2 LYS 92 HE2 LYS 92 -2.232 -11.932 2.906 607 HE3 LYS 92 HE1 LYS 92 -1.082 -13.128 3.503 608 HZ1 LYS 92 HZ1 LYS 92 -2.695 -14.239 2.192 609 HZ2 LYS 92 HZ2 LYS 92 -3.980 -13.522 3.021 610 HZ3 LYS 92 HZ3 LYS 92 -2.998 -14.654 3.800 Start of MODEL 17 1 H MET 20 H MET 20 -8.423 -3.815 18.897 2 HA MET 20 HA MET 20 -11.145 -3.121 19.797 3 HB2 MET 20 HB2 MET 20 -10.195 -1.007 20.620 4 HB3 MET 20 HB1 MET 20 -9.400 -2.368 21.403 5 HG2 MET 20 HG2 MET 20 -7.459 -2.091 19.945 6 HG3 MET 20 HG1 MET 20 -8.272 -0.780 19.084 7 HE1 MET 20 HE1 MET 20 -5.540 1.223 21.055 8 HE2 MET 20 HE2 MET 20 -6.291 0.962 19.481 9 HE3 MET 20 HE3 MET 20 -5.363 -0.332 20.245 10 H ALA 21 HN ALA 21 -9.018 -3.303 17.188 11 HA ALA 21 HA ALA 21 -10.707 -1.738 15.439 12 HB1 ALA 21 HB1 ALA 21 -9.255 0.047 16.356 13 HB2 ALA 21 HB2 ALA 21 -8.921 -0.208 14.642 14 HB3 ALA 21 HB3 ALA 21 -7.818 -0.852 15.864 15 H ALA 22 HN ALA 22 -10.322 -2.235 13.220 16 HA ALA 22 HA ALA 22 -8.599 -4.582 12.710 17 HB1 ALA 22 HB1 ALA 22 -9.925 -4.893 10.667 18 HB2 ALA 22 HB2 ALA 22 -10.819 -3.407 10.997 19 HB3 ALA 22 HB3 ALA 22 -10.982 -4.790 12.077 20 H ALA 23 HN ALA 23 -6.910 -4.466 11.288 21 HA ALA 23 HA ALA 23 -5.772 -1.915 10.640 22 HB1 ALA 23 HB1 ALA 23 -4.894 -4.701 9.791 23 HB2 ALA 23 HB2 ALA 23 -4.363 -3.850 11.242 24 HB3 ALA 23 HB3 ALA 23 -3.934 -3.227 9.648 25 H VAL 24 HN VAL 24 -7.258 -0.893 9.273 26 HA VAL 24 HA VAL 24 -7.565 -2.001 6.537 27 HB VAL 24 HB VAL 24 -9.700 -0.562 6.406 28 HG11 VAL 24 HG11 VAL 24 -11.101 -2.284 7.518 29 HG12 VAL 24 HG12 VAL 24 -9.674 -2.911 8.350 30 HG13 VAL 24 HG13 VAL 24 -9.786 -3.010 6.590 31 HG21 VAL 24 HG21 VAL 24 -9.446 -0.552 9.453 32 HG22 VAL 24 HG22 VAL 24 -10.854 -0.013 8.535 33 HG23 VAL 24 HG23 VAL 24 -9.331 0.866 8.408 34 HA PRO 25 HA PRO 25 -5.087 1.894 6.167 35 HB2 PRO 25 HB2 PRO 25 -3.398 0.994 4.179 36 HB3 PRO 25 HB1 PRO 25 -3.085 0.748 5.895 37 HG2 PRO 25 HG2 PRO 25 -4.213 -1.151 3.882 38 HG3 PRO 25 HG1 PRO 25 -3.092 -1.475 5.217 39 HD2 PRO 25 HD2 PRO 25 -5.786 -2.052 5.305 40 HD3 PRO 25 HD1 PRO 25 -4.812 -1.719 6.751 41 H GLN 26 HN GLN 26 -6.039 3.422 4.996 42 HA GLN 26 HA GLN 26 -7.321 3.035 2.452 43 HB2 GLN 26 HB2 GLN 26 -6.368 5.588 3.831 44 HB3 GLN 26 HB1 GLN 26 -7.431 5.524 2.422 45 HG2 GLN 26 HG2 GLN 26 -9.134 4.332 3.811 46 HG3 GLN 26 HG1 GLN 26 -8.071 4.504 5.212 47 HE21 GLN 26 HE21 GLN 26 -10.221 6.150 3.018 48 HE22 GLN 26 HE22 GLN 26 -10.319 7.633 3.901 49 H ARG 27 HN ARG 27 -6.516 4.618 0.627 50 HA ARG 27 HA ARG 27 -4.056 3.767 -0.362 51 HB2 ARG 27 HB2 ARG 27 -4.283 5.364 -2.123 52 HB3 ARG 27 HB1 ARG 27 -5.875 4.744 -1.755 53 HG2 ARG 27 HG2 ARG 27 -4.881 7.415 -0.717 54 HG3 ARG 27 HG1 ARG 27 -5.713 7.232 -2.261 55 HD2 ARG 27 HD2 ARG 27 -7.695 6.405 -1.138 56 HD3 ARG 27 HD1 ARG 27 -6.864 6.386 0.416 57 HE ARG 27 HE ARG 27 -6.872 8.998 -0.721 58 HH11 ARG 27 HH11 ARG 27 -8.966 6.722 0.935 59 HH12 ARG 27 HH12 ARG 27 -9.911 7.959 1.690 60 HH21 ARG 27 HH21 ARG 27 -8.119 10.615 0.320 61 HH22 ARG 27 HH22 ARG 27 -9.435 10.148 1.350 62 H ALA 28 HN ALA 28 -2.019 4.453 -0.186 63 HA ALA 28 HA ALA 28 -1.241 6.505 1.709 64 HB1 ALA 28 HB1 ALA 28 1.070 5.862 1.101 65 HB2 ALA 28 HB2 ALA 28 0.451 4.827 -0.188 66 HB3 ALA 28 HB3 ALA 28 0.098 4.441 1.496 67 H TRP 29 HN TRP 29 -1.487 6.043 -1.754 68 HA TRP 29 HA TRP 29 -1.093 8.922 -2.282 69 HB2 TRP 29 HB2 TRP 29 -0.081 6.723 -4.149 70 HB3 TRP 29 HB1 TRP 29 0.226 8.452 -4.263 71 HD1 TRP 29 HD1 TRP 29 1.881 9.477 -2.213 72 HE1 TRP 29 HE1 TRP 29 3.889 8.355 -1.068 73 HE3 TRP 29 HE3 TRP 29 0.919 4.604 -3.442 74 HZ2 TRP 29 HZ2 TRP 29 4.946 5.766 -0.738 75 HZ3 TRP 29 HZ3 TRP 29 2.482 2.862 -2.677 76 HH2 TRP 29 HH2 TRP 29 4.453 3.437 -1.351 77 H THR 30 HN THR 30 -2.398 9.679 -4.094 78 HA THR 30 HA THR 30 -4.815 8.065 -4.523 79 HB THR 30 HB THR 30 -5.672 10.266 -5.536 80 HG1 THR 30 HG1 THR 30 -4.232 11.771 -5.780 81 HG21 THR 30 HG21 THR 30 -6.025 11.334 -3.340 82 HG22 THR 30 HG22 THR 30 -4.766 10.322 -2.630 83 HG23 THR 30 HG23 THR 30 -6.259 9.588 -3.227 84 H VAL 31 HN VAL 31 -5.810 8.730 -6.916 85 HA VAL 31 HA VAL 31 -4.565 6.875 -8.559 86 HB VAL 31 HB VAL 31 -6.936 7.362 -8.733 87 HG11 VAL 31 HG11 VAL 31 -6.927 9.788 -8.373 88 HG12 VAL 31 HG12 VAL 31 -7.832 9.382 -9.834 89 HG13 VAL 31 HG13 VAL 31 -6.198 10.040 -9.962 90 HG21 VAL 31 HG21 VAL 31 -5.576 7.876 -11.406 91 HG22 VAL 31 HG22 VAL 31 -7.244 7.344 -11.192 92 HG23 VAL 31 HG23 VAL 31 -5.914 6.294 -10.703 93 H GLU 32 HN GLU 32 -4.420 10.434 -8.873 94 HA GLU 32 HA GLU 32 -2.770 10.443 -11.204 95 HB2 GLU 32 HB2 GLU 32 -2.460 12.872 -10.778 96 HB3 GLU 32 HB1 GLU 32 -4.147 12.388 -10.794 97 HG2 GLU 32 HG2 GLU 32 -2.743 12.569 -8.139 98 HG3 GLU 32 HG1 GLU 32 -3.168 14.068 -8.961 99 H GLN 33 HN GLN 33 -2.094 10.444 -7.746 100 HA GLN 33 HA GLN 33 0.716 10.977 -7.925 101 HB2 GLN 33 HB2 GLN 33 -0.923 9.610 -5.757 102 HB3 GLN 33 HB1 GLN 33 0.763 10.091 -5.573 103 HG2 GLN 33 HG2 GLN 33 -1.451 12.072 -6.199 104 HG3 GLN 33 HG1 GLN 33 -0.988 11.631 -4.557 105 HE21 GLN 33 HE21 GLN 33 -0.488 13.870 -4.231 106 HE22 GLN 33 HE22 GLN 33 1.020 14.512 -4.767 107 H LEU 34 HN LEU 34 -1.271 8.114 -8.188 108 HA LEU 34 HA LEU 34 0.884 6.201 -7.883 109 HB2 LEU 34 HB2 LEU 34 -2.057 5.934 -8.580 110 HB3 LEU 34 HB1 LEU 34 -0.973 4.548 -8.484 111 HG LEU 34 HG LEU 34 -1.429 6.441 -6.138 112 HD11 LEU 34 HD11 LEU 34 -2.824 3.814 -6.679 113 HD12 LEU 34 HD12 LEU 34 -3.557 5.420 -6.728 114 HD13 LEU 34 HD13 LEU 34 -2.943 4.784 -5.207 115 HD21 LEU 34 HD21 LEU 34 0.661 5.118 -6.062 116 HD22 LEU 34 HD22 LEU 34 -0.277 3.633 -6.217 117 HD23 LEU 34 HD23 LEU 34 -0.469 4.655 -4.791 118 H ARG 35 HN ARG 35 -0.864 7.714 -10.565 119 HA ARG 35 HA ARG 35 0.586 6.149 -12.552 120 HB2 ARG 35 HB2 ARG 35 -0.491 7.516 -14.243 121 HB3 ARG 35 HB1 ARG 35 -1.695 7.020 -13.056 122 HG2 ARG 35 HG2 ARG 35 -1.446 9.283 -11.987 123 HG3 ARG 35 HG1 ARG 35 -0.422 9.762 -13.343 124 HD2 ARG 35 HD2 ARG 35 -3.316 8.842 -13.549 125 HD3 ARG 35 HD1 ARG 35 -2.768 10.520 -13.587 126 HE ARG 35 HE ARG 35 -1.918 8.543 -15.627 127 HH11 ARG 35 HH11 ARG 35 -3.209 11.717 -14.838 128 HH12 ARG 35 HH12 ARG 35 -3.393 12.191 -16.494 129 HH21 ARG 35 HH21 ARG 35 -2.120 9.193 -17.794 130 HH22 ARG 35 HH22 ARG 35 -2.762 10.759 -18.175 131 H SER 36 HN SER 36 1.155 9.016 -10.693 132 HA SER 36 HA SER 36 2.691 10.611 -12.422 133 HB2 SER 36 HB2 SER 36 1.757 11.456 -10.292 134 HB3 SER 36 HB1 SER 36 2.862 10.431 -9.377 135 HG SER 36 HG SER 36 3.378 12.748 -10.869 136 H GLU 37 HN GLU 37 4.667 10.401 -13.211 137 HA GLU 37 HA GLU 37 6.426 8.233 -12.717 138 HB2 GLU 37 HB2 GLU 37 6.251 9.424 -14.892 139 HB3 GLU 37 HB1 GLU 37 6.908 10.877 -14.160 140 HG2 GLU 37 HG2 GLU 37 8.595 9.760 -15.514 141 HG3 GLU 37 HG1 GLU 37 9.070 9.744 -13.815 142 H GLN 38 HN GLN 38 6.052 11.282 -11.137 143 HA GLN 38 HA GLN 38 8.583 11.653 -9.929 144 HB2 GLN 38 HB2 GLN 38 5.807 12.349 -8.864 145 HB3 GLN 38 HB1 GLN 38 7.326 13.005 -8.244 146 HG2 GLN 38 HG2 GLN 38 7.745 14.181 -10.313 147 HG3 GLN 38 HG1 GLN 38 6.395 13.373 -11.110 148 HE21 GLN 38 HE21 GLN 38 5.370 15.303 -11.656 149 HE22 GLN 38 HE22 GLN 38 4.613 16.329 -10.487 150 H LEU 39 HN LEU 39 5.787 9.666 -9.029 151 HA LEU 39 HA LEU 39 7.015 8.626 -6.587 152 HB2 LEU 39 HB2 LEU 39 4.577 9.049 -6.653 153 HB3 LEU 39 HB1 LEU 39 4.405 7.937 -8.002 154 HG LEU 39 HG LEU 39 5.201 6.071 -6.445 155 HD11 LEU 39 HD11 LEU 39 4.756 8.123 -4.255 156 HD12 LEU 39 HD12 LEU 39 6.316 7.445 -4.739 157 HD13 LEU 39 HD13 LEU 39 5.083 6.402 -4.036 158 HD21 LEU 39 HD21 LEU 39 2.629 7.470 -5.654 159 HD22 LEU 39 HD22 LEU 39 3.027 5.773 -5.376 160 HD23 LEU 39 HD23 LEU 39 2.828 6.370 -7.022 161 HA PRO 40 HA PRO 40 8.810 5.110 -8.944 162 HB2 PRO 40 HB2 PRO 40 9.828 3.720 -6.779 163 HB3 PRO 40 HB1 PRO 40 10.643 5.091 -7.537 164 HG2 PRO 40 HG2 PRO 40 8.989 5.006 -5.032 165 HG3 PRO 40 HG1 PRO 40 10.476 5.913 -5.361 166 HD2 PRO 40 HD2 PRO 40 7.985 7.052 -5.409 167 HD3 PRO 40 HD1 PRO 40 9.338 7.651 -6.389 168 H LYS 41 HN LYS 41 7.906 3.225 -9.598 169 HA LYS 41 HA LYS 41 5.302 2.550 -8.559 170 HB2 LYS 41 HB2 LYS 41 5.155 1.049 -10.492 171 HB3 LYS 41 HB1 LYS 41 5.636 2.671 -10.923 172 HG2 LYS 41 HG2 LYS 41 8.007 1.820 -11.102 173 HG3 LYS 41 HG1 LYS 41 7.353 0.186 -10.897 174 HD2 LYS 41 HD2 LYS 41 5.888 0.555 -12.900 175 HD3 LYS 41 HD1 LYS 41 6.608 2.155 -13.105 176 HE2 LYS 41 HE2 LYS 41 7.651 0.629 -14.659 177 HE3 LYS 41 HE1 LYS 41 8.831 1.048 -13.414 178 HZ1 LYS 41 HZ1 LYS 41 8.397 -1.034 -12.322 179 HZ2 LYS 41 HZ2 LYS 41 8.830 -1.310 -13.930 180 HZ3 LYS 41 HZ3 LYS 41 7.210 -1.439 -13.459 181 H LYS 42 HN LYS 42 8.465 1.186 -8.165 182 HA LYS 42 HA LYS 42 7.769 -1.379 -7.177 183 HB2 LYS 42 HB2 LYS 42 9.987 -1.298 -6.040 184 HB3 LYS 42 HB1 LYS 42 10.066 -0.851 -7.742 185 HG2 LYS 42 HG2 LYS 42 10.188 1.527 -7.131 186 HG3 LYS 42 HG1 LYS 42 10.055 1.105 -5.418 187 HD2 LYS 42 HD2 LYS 42 12.187 -0.100 -5.528 188 HD3 LYS 42 HD1 LYS 42 12.314 0.230 -7.260 189 HE2 LYS 42 HE2 LYS 42 12.449 2.648 -6.786 190 HE3 LYS 42 HE1 LYS 42 12.314 2.322 -5.055 191 HZ1 LYS 42 HZ1 LYS 42 14.374 1.054 -5.192 192 HZ2 LYS 42 HZ2 LYS 42 14.598 2.648 -5.699 193 HZ3 LYS 42 HZ3 LYS 42 14.499 1.409 -6.840 194 H ASP 43 HN ASP 43 7.680 1.813 -5.710 195 HA ASP 43 HA ASP 43 7.223 0.919 -3.014 196 HB2 ASP 43 HB2 ASP 43 6.901 3.615 -4.383 197 HB3 ASP 43 HB1 ASP 43 6.503 3.367 -2.675 198 H ILE 44 HN ILE 44 5.150 1.520 -5.776 199 HA ILE 44 HA ILE 44 2.662 1.479 -4.324 200 HB ILE 44 HB ILE 44 3.085 0.801 -7.272 201 HG12 ILE 44 HG12 ILE 44 2.525 3.540 -6.046 202 HG13 ILE 44 HG11 ILE 44 4.063 3.038 -6.746 203 HG21 ILE 44 HG21 ILE 44 0.605 1.774 -5.805 204 HG22 ILE 44 HG22 ILE 44 0.878 0.137 -6.410 205 HG23 ILE 44 HG23 ILE 44 0.725 1.481 -7.543 206 HD11 ILE 44 HD11 ILE 44 1.446 3.373 -8.213 207 HD12 ILE 44 HD12 ILE 44 2.953 2.801 -8.936 208 HD13 ILE 44 HD13 ILE 44 2.852 4.435 -8.284 209 H ILE 45 HN ILE 45 4.536 -0.911 -6.211 210 HA ILE 45 HA ILE 45 3.066 -3.255 -5.822 211 HB ILE 45 HB ILE 45 6.111 -2.943 -5.755 212 HG12 ILE 45 HG12 ILE 45 4.362 -3.634 -8.155 213 HG13 ILE 45 HG11 ILE 45 4.980 -2.022 -7.822 214 HG21 ILE 45 HG21 ILE 45 6.233 -5.314 -6.454 215 HG22 ILE 45 HG22 ILE 45 4.477 -5.443 -6.345 216 HG23 ILE 45 HG23 ILE 45 5.430 -5.149 -4.890 217 HD11 ILE 45 HD11 ILE 45 6.606 -4.476 -8.435 218 HD12 ILE 45 HD12 ILE 45 7.282 -2.905 -8.001 219 HD13 ILE 45 HD13 ILE 45 6.337 -3.083 -9.481 220 H LYS 46 HN LYS 46 5.509 -1.713 -3.789 221 HA LYS 46 HA LYS 46 5.646 -3.609 -1.711 222 HB2 LYS 46 HB2 LYS 46 7.384 -1.887 -2.225 223 HB3 LYS 46 HB1 LYS 46 6.298 -0.636 -1.633 224 HG2 LYS 46 HG2 LYS 46 6.410 -1.545 0.628 225 HG3 LYS 46 HG1 LYS 46 7.366 -2.916 0.063 226 HD2 LYS 46 HD2 LYS 46 8.858 -1.304 1.114 227 HD3 LYS 46 HD1 LYS 46 9.185 -1.339 -0.621 228 HE2 LYS 46 HE2 LYS 46 9.183 0.964 0.197 229 HE3 LYS 46 HE1 LYS 46 7.819 0.723 -0.898 230 HZ1 LYS 46 HZ1 LYS 46 6.377 0.473 1.028 231 HZ2 LYS 46 HZ2 LYS 46 7.185 1.959 1.071 232 HZ3 LYS 46 HZ3 LYS 46 7.693 0.696 2.068 233 H PHE 47 HN PHE 47 3.709 -0.674 -2.147 234 HA PHE 47 HA PHE 47 2.451 -0.622 0.390 235 HB2 PHE 47 HB2 PHE 47 2.408 1.349 -1.076 236 HB3 PHE 47 HB1 PHE 47 1.520 0.459 -2.309 237 HD1 PHE 47 HD2 PHE 47 1.035 0.898 1.387 238 HD2 PHE 47 HD1 PHE 47 -0.670 1.341 -2.501 239 HE1 PHE 47 HE2 PHE 47 -1.070 1.642 2.402 240 HE2 PHE 47 HE1 PHE 47 -2.790 2.080 -1.479 241 HZ PHE 47 HZ PHE 47 -2.985 2.225 0.985 242 H LEU 48 HN LEU 48 1.339 -1.954 -2.732 243 HA LEU 48 HA LEU 48 -1.182 -2.825 -1.745 244 HB2 LEU 48 HB2 LEU 48 0.256 -3.507 -4.326 245 HB3 LEU 48 HB1 LEU 48 -1.421 -3.920 -3.978 246 HG LEU 48 HG LEU 48 -0.315 -1.076 -4.190 247 HD11 LEU 48 HD11 LEU 48 -1.604 -0.925 -6.274 248 HD12 LEU 48 HD12 LEU 48 -2.098 -2.615 -6.115 249 HD13 LEU 48 HD13 LEU 48 -0.397 -2.208 -6.372 250 HD21 LEU 48 HD21 LEU 48 -2.671 -0.347 -4.063 251 HD22 LEU 48 HD22 LEU 48 -2.173 -1.178 -2.592 252 HD23 LEU 48 HD23 LEU 48 -3.182 -2.012 -3.779 253 H GLN 49 HN GLN 49 1.956 -4.408 -2.030 254 HA GLN 49 HA GLN 49 0.905 -7.045 -1.444 255 HB2 GLN 49 HB2 GLN 49 3.142 -7.870 -1.497 256 HB3 GLN 49 HB1 GLN 49 3.039 -6.672 -2.783 257 HG2 GLN 49 HG2 GLN 49 4.186 -5.026 -1.368 258 HG3 GLN 49 HG1 GLN 49 4.244 -6.186 -0.047 259 HE21 GLN 49 HE21 GLN 49 4.896 -6.957 -3.449 260 HE22 GLN 49 HE22 GLN 49 6.568 -7.313 -3.223 261 H GLU 50 HN GLU 50 2.018 -4.298 0.371 262 HA GLU 50 HA GLU 50 2.745 -5.469 2.829 263 HB2 GLU 50 HB2 GLU 50 3.154 -3.080 2.146 264 HB3 GLU 50 HB1 GLU 50 1.447 -2.742 2.370 265 HG2 GLU 50 HG2 GLU 50 2.584 -1.909 4.286 266 HG3 GLU 50 HG1 GLU 50 1.714 -3.355 4.797 267 H HIS 51 HN HIS 51 -0.445 -4.592 1.518 268 HA HIS 51 HA HIS 51 -1.729 -5.650 3.974 269 HB2 HIS 51 HB2 HIS 51 -3.484 -3.966 3.827 270 HB3 HIS 51 HB1 HIS 51 -1.907 -3.215 3.987 271 HD1 HIS 51 HD1 HIS 51 -0.898 -2.451 1.506 272 HD2 HIS 51 HD2 HIS 51 -5.000 -2.664 1.987 273 HE1 HIS 51 HE1 HIS 51 -1.866 -1.073 -0.355 274 HE2 HIS 51 HE2 HIS 51 -4.327 -1.052 0.101 275 H GLY 52 HN GLY 52 -1.988 -5.388 0.437 276 HA2 GLY 52 HA2 GLY 52 -4.478 -6.629 0.066 277 HA3 GLY 52 HA1 GLY 52 -3.164 -6.618 -1.097 278 H SER 53 HN SER 53 -5.173 -8.708 -0.094 279 HA SER 53 HA SER 53 -3.879 -10.807 1.248 280 HB2 SER 53 HB2 SER 53 -6.317 -10.755 0.968 281 HB3 SER 53 HB1 SER 53 -6.158 -10.913 -0.780 282 HG SER 53 HG SER 53 -5.714 -12.821 1.238 283 H ASP 54 HN ASP 54 -2.972 -12.772 0.491 284 HA ASP 54 HA ASP 54 -0.958 -12.438 -1.461 285 HB2 ASP 54 HB2 ASP 54 -1.961 -15.000 -0.146 286 HB3 ASP 54 HB1 ASP 54 -0.481 -14.885 -1.094 287 H SER 55 HN SER 55 -4.114 -13.977 -1.650 288 HA SER 55 HA SER 55 -3.788 -15.287 -4.152 289 HB2 SER 55 HB2 SER 55 -6.344 -14.269 -2.840 290 HB3 SER 55 HB1 SER 55 -6.245 -15.496 -4.109 291 HG SER 55 HG SER 55 -4.650 -16.363 -2.251 292 H PHE 56 HN PHE 56 -5.052 -12.091 -3.228 293 HA PHE 56 HA PHE 56 -5.686 -11.051 -5.774 294 HB2 PHE 56 HB2 PHE 56 -6.478 -9.893 -3.813 295 HB3 PHE 56 HB1 PHE 56 -4.860 -9.743 -3.145 296 HD1 PHE 56 HD1 PHE 56 -7.153 -8.464 -5.791 297 HD2 PHE 56 HD2 PHE 56 -3.455 -7.879 -3.721 298 HE1 PHE 56 HE1 PHE 56 -6.925 -6.232 -6.794 299 HE2 PHE 56 HE2 PHE 56 -3.246 -5.649 -4.729 300 HZ PHE 56 HZ PHE 56 -4.977 -4.837 -6.263 301 H LEU 57 HN LEU 57 -2.693 -11.073 -3.884 302 HA LEU 57 HA LEU 57 -1.139 -9.400 -5.554 303 HB2 LEU 57 HB2 LEU 57 -0.163 -11.574 -3.663 304 HB3 LEU 57 HB1 LEU 57 0.816 -10.282 -4.346 305 HG LEU 57 HG LEU 57 -1.406 -9.993 -2.306 306 HD11 LEU 57 HD11 LEU 57 1.563 -9.493 -2.068 307 HD12 LEU 57 HD12 LEU 57 0.664 -10.844 -1.369 308 HD13 LEU 57 HD13 LEU 57 0.355 -9.201 -0.812 309 HD21 LEU 57 HD21 LEU 57 -0.923 -7.590 -2.265 310 HD22 LEU 57 HD22 LEU 57 -1.539 -8.100 -3.834 311 HD23 LEU 57 HD23 LEU 57 0.186 -7.781 -3.626 312 H ALA 58 HN ALA 58 -1.515 -12.941 -5.398 313 HA ALA 58 HA ALA 58 0.500 -13.684 -7.218 314 HB1 ALA 58 HB1 ALA 58 -0.649 -15.870 -7.295 315 HB2 ALA 58 HB2 ALA 58 -2.068 -15.155 -6.523 316 HB3 ALA 58 HB3 ALA 58 -0.547 -15.267 -5.638 317 H GLU 59 HN GLU 59 -2.988 -13.135 -7.706 318 HA GLU 59 HA GLU 59 -3.168 -13.672 -10.462 319 HB2 GLU 59 HB2 GLU 59 -4.806 -11.770 -8.733 320 HB3 GLU 59 HB1 GLU 59 -5.263 -12.268 -10.364 321 HG2 GLU 59 HG2 GLU 59 -5.469 -14.582 -9.649 322 HG3 GLU 59 HG1 GLU 59 -4.877 -14.176 -8.038 323 H HIS 60 HN HIS 60 -2.198 -10.701 -8.777 324 HA HIS 60 HA HIS 60 -1.890 -9.261 -11.358 325 HB2 HIS 60 HB2 HIS 60 -2.058 -8.191 -8.501 326 HB3 HIS 60 HB1 HIS 60 -1.837 -7.193 -9.941 327 HD1 HIS 60 HD1 HIS 60 -4.435 -8.585 -7.829 328 HD2 HIS 60 HD2 HIS 60 -4.111 -7.455 -11.808 329 HE1 HIS 60 HE1 HIS 60 -6.796 -8.335 -8.657 330 HE2 HIS 60 HE2 HIS 60 -6.555 -7.913 -11.120 331 H LYS 61 HN LYS 61 -0.056 -11.149 -9.521 332 HA LYS 61 HA LYS 61 2.136 -11.616 -9.302 333 HB2 LYS 61 HB2 LYS 61 2.574 -9.607 -11.556 334 HB3 LYS 61 HB1 LYS 61 3.683 -10.889 -11.067 335 HG2 LYS 61 HG2 LYS 61 0.957 -11.208 -12.367 336 HG3 LYS 61 HG1 LYS 61 2.535 -11.571 -13.078 337 HD2 LYS 61 HD2 LYS 61 2.858 -13.420 -11.511 338 HD3 LYS 61 HD1 LYS 61 1.367 -13.008 -10.663 339 HE2 LYS 61 HE2 LYS 61 0.137 -13.478 -12.841 340 HE3 LYS 61 HE1 LYS 61 1.652 -14.146 -13.457 341 HZ1 LYS 61 HZ1 LYS 61 0.138 -15.096 -11.081 342 HZ2 LYS 61 HZ2 LYS 61 1.631 -15.716 -11.588 343 HZ3 LYS 61 HZ3 LYS 61 0.267 -15.879 -12.577 344 H LEU 62 HN LEU 62 1.073 -9.436 -7.641 345 HA LEU 62 HA LEU 62 3.064 -7.360 -7.413 346 HB2 LEU 62 HB2 LEU 62 0.697 -7.970 -5.601 347 HB3 LEU 62 HB1 LEU 62 1.647 -6.487 -5.591 348 HG LEU 62 HG LEU 62 -0.169 -7.453 -7.833 349 HD11 LEU 62 HD11 LEU 62 -1.417 -6.591 -5.933 350 HD12 LEU 62 HD12 LEU 62 -1.545 -5.510 -7.317 351 HD13 LEU 62 HD13 LEU 62 -0.487 -5.090 -5.965 352 HD21 LEU 62 HD21 LEU 62 1.756 -6.308 -8.804 353 HD22 LEU 62 HD22 LEU 62 1.511 -4.923 -7.737 354 HD23 LEU 62 HD23 LEU 62 0.305 -5.319 -8.966 355 H LEU 63 HN LEU 63 2.560 -10.471 -5.900 356 HA LEU 63 HA LEU 63 4.068 -9.875 -3.505 357 HB2 LEU 63 HB2 LEU 63 3.967 -12.435 -3.154 358 HB3 LEU 63 HB1 LEU 63 2.479 -11.517 -3.093 359 HG LEU 63 HG LEU 63 1.900 -12.298 -5.399 360 HD11 LEU 63 HD11 LEU 63 4.344 -14.075 -5.176 361 HD12 LEU 63 HD12 LEU 63 4.100 -12.751 -6.321 362 HD13 LEU 63 HD13 LEU 63 3.084 -14.186 -6.410 363 HD21 LEU 63 HD21 LEU 63 1.013 -13.445 -3.427 364 HD22 LEU 63 HD22 LEU 63 2.414 -14.523 -3.398 365 HD23 LEU 63 HD23 LEU 63 1.277 -14.580 -4.750 366 H GLY 64 HN GLY 64 5.938 -11.318 -2.886 367 HA2 GLY 64 HA2 GLY 64 7.932 -12.448 -3.359 368 HA3 GLY 64 HA1 GLY 64 7.713 -12.128 -5.075 369 H ASN 65 HN ASN 65 9.912 -11.483 -5.154 370 HA ASN 65 HA ASN 65 11.022 -9.352 -3.610 371 HB2 ASN 65 HB2 ASN 65 11.926 -10.570 -6.256 372 HB3 ASN 65 HB1 ASN 65 12.883 -9.436 -5.303 373 HD21 ASN 65 HD21 ASN 65 13.738 -10.136 -3.283 374 HD22 ASN 65 HD22 ASN 65 13.893 -11.821 -2.928 375 H ILE 66 HN ILE 66 10.542 -7.298 -3.784 376 HA ILE 66 HA ILE 66 8.648 -6.169 -5.466 377 HB ILE 66 HB ILE 66 10.874 -4.726 -3.959 378 HG12 ILE 66 HG12 ILE 66 8.047 -5.418 -3.051 379 HG13 ILE 66 HG11 ILE 66 9.517 -6.229 -2.512 380 HG21 ILE 66 HG21 ILE 66 8.213 -3.635 -4.939 381 HG22 ILE 66 HG22 ILE 66 9.801 -3.227 -5.587 382 HG23 ILE 66 HG23 ILE 66 9.381 -2.759 -3.941 383 HD11 ILE 66 HD11 ILE 66 8.870 -3.322 -2.067 384 HD12 ILE 66 HD12 ILE 66 10.295 -4.187 -1.469 385 HD13 ILE 66 HD13 ILE 66 8.689 -4.621 -0.881 386 H LYS 67 HN LYS 67 12.197 -5.851 -5.658 387 HA LYS 67 HA LYS 67 12.300 -3.997 -7.786 388 HB2 LYS 67 HB2 LYS 67 14.545 -5.998 -7.395 389 HB3 LYS 67 HB1 LYS 67 14.641 -4.318 -7.896 390 HG2 LYS 67 HG2 LYS 67 15.489 -4.115 -5.773 391 HG3 LYS 67 HG1 LYS 67 13.779 -3.904 -5.385 392 HD2 LYS 67 HD2 LYS 67 13.612 -6.275 -4.734 393 HD3 LYS 67 HD1 LYS 67 15.287 -6.551 -5.213 394 HE2 LYS 67 HE2 LYS 67 14.376 -4.731 -2.963 395 HE3 LYS 67 HE1 LYS 67 15.030 -6.356 -2.773 396 HZ1 LYS 67 HZ1 LYS 67 16.719 -4.695 -2.372 397 HZ2 LYS 67 HZ2 LYS 67 16.471 -4.020 -3.899 398 HZ3 LYS 67 HZ3 LYS 67 17.110 -5.579 -3.762 399 H ASN 68 HN ASN 68 12.432 -7.529 -7.685 400 HA ASN 68 HA ASN 68 12.781 -8.092 -10.422 401 HB2 ASN 68 HB2 ASN 68 13.052 -9.795 -8.645 402 HB3 ASN 68 HB1 ASN 68 11.325 -9.731 -8.309 403 HD21 ASN 68 HD21 ASN 68 10.939 -11.885 -8.766 404 HD22 ASN 68 HD22 ASN 68 11.058 -12.569 -10.345 405 H VAL 69 HN VAL 69 9.779 -7.771 -8.506 406 HA VAL 69 HA VAL 69 7.898 -8.251 -10.564 407 HB VAL 69 HB VAL 69 7.580 -6.590 -8.011 408 HG11 VAL 69 HG11 VAL 69 5.133 -6.982 -8.270 409 HG12 VAL 69 HG12 VAL 69 5.431 -7.743 -9.832 410 HG13 VAL 69 HG13 VAL 69 5.792 -6.030 -9.606 411 HG21 VAL 69 HG21 VAL 69 8.218 -8.944 -7.556 412 HG22 VAL 69 HG22 VAL 69 6.845 -9.498 -8.515 413 HG23 VAL 69 HG23 VAL 69 6.569 -8.602 -7.020 414 H ALA 70 HN ALA 70 9.654 -5.382 -9.584 415 HA ALA 70 HA ALA 70 8.097 -3.427 -10.970 416 HB1 ALA 70 HB1 ALA 70 9.915 -1.887 -10.387 417 HB2 ALA 70 HB2 ALA 70 10.959 -3.244 -9.947 418 HB3 ALA 70 HB3 ALA 70 9.504 -2.910 -9.006 419 H LYS 71 HN LYS 71 9.834 -5.868 -12.457 420 HA LYS 71 HA LYS 71 10.633 -4.186 -14.743 421 HB2 LYS 71 HB2 LYS 71 11.689 -6.080 -15.680 422 HB3 LYS 71 HB1 LYS 71 12.025 -6.192 -13.961 423 HG2 LYS 71 HG2 LYS 71 10.244 -7.903 -13.729 424 HG3 LYS 71 HG1 LYS 71 9.919 -7.789 -15.457 425 HD2 LYS 71 HD2 LYS 71 11.312 -9.747 -14.977 426 HD3 LYS 71 HD1 LYS 71 12.207 -8.581 -15.955 427 HE2 LYS 71 HE2 LYS 71 13.403 -7.801 -13.946 428 HE3 LYS 71 HE1 LYS 71 12.483 -8.922 -12.941 429 HZ1 LYS 71 HZ1 LYS 71 14.650 -9.791 -13.459 430 HZ2 LYS 71 HZ2 LYS 71 14.361 -9.669 -15.117 431 HZ3 LYS 71 HZ3 LYS 71 13.463 -10.755 -14.180 432 H THR 72 HN THR 72 7.992 -6.220 -13.695 433 HA THR 72 HA THR 72 6.778 -6.265 -16.399 434 HB THR 72 HB THR 72 7.158 -8.514 -15.500 435 HG1 THR 72 HG1 THR 72 5.337 -8.441 -16.707 436 HG21 THR 72 HG21 THR 72 5.380 -7.729 -13.147 437 HG22 THR 72 HG22 THR 72 7.113 -8.062 -13.068 438 HG23 THR 72 HG23 THR 72 5.987 -9.353 -13.488 439 H ALA 73 HN ALA 73 6.332 -5.238 -13.098 440 HA ALA 73 HA ALA 73 3.520 -4.617 -13.331 441 HB1 ALA 73 HB1 ALA 73 3.726 -3.740 -11.039 442 HB2 ALA 73 HB2 ALA 73 5.478 -3.940 -11.101 443 HB3 ALA 73 HB3 ALA 73 4.428 -5.351 -11.164 444 H ASN 74 HN ASN 74 3.587 -3.262 -15.108 445 HA ASN 74 HA ASN 74 4.902 -0.734 -15.185 446 HB2 ASN 74 HB2 ASN 74 3.280 -0.257 -17.082 447 HB3 ASN 74 HB1 ASN 74 4.244 -1.709 -17.277 448 HD21 ASN 74 HD21 ASN 74 1.054 -0.446 -16.871 449 HD22 ASN 74 HD22 ASN 74 0.205 -1.933 -17.093 450 H LYS 75 HN LYS 75 3.624 1.347 -15.330 451 HA LYS 75 HA LYS 75 2.889 1.835 -12.660 452 HB2 LYS 75 HB2 LYS 75 3.977 3.410 -14.450 453 HB3 LYS 75 HB1 LYS 75 2.324 3.788 -14.918 454 HG2 LYS 75 HG2 LYS 75 3.250 5.463 -13.385 455 HG3 LYS 75 HG1 LYS 75 1.857 4.646 -12.662 456 HD2 LYS 75 HD2 LYS 75 3.195 3.410 -11.171 457 HD3 LYS 75 HD1 LYS 75 4.660 3.638 -12.120 458 HE2 LYS 75 HE2 LYS 75 3.271 5.874 -10.620 459 HE3 LYS 75 HE1 LYS 75 4.598 4.913 -9.961 460 HZ1 LYS 75 HZ1 LYS 75 5.451 6.922 -10.870 461 HZ2 LYS 75 HZ2 LYS 75 4.685 6.657 -12.355 462 HZ3 LYS 75 HZ3 LYS 75 5.946 5.644 -11.861 463 H ASP 76 HN ASP 76 0.934 1.776 -15.639 464 HA ASP 76 HA ASP 76 -1.512 2.611 -14.398 465 HB2 ASP 76 HB2 ASP 76 -2.606 1.992 -16.541 466 HB3 ASP 76 HB1 ASP 76 -1.196 3.011 -16.779 467 H HIS 77 HN HIS 77 -0.052 -0.531 -15.014 468 HA HIS 77 HA HIS 77 -2.194 -2.272 -14.418 469 HB2 HIS 77 HB2 HIS 77 -0.160 -3.194 -15.350 470 HB3 HIS 77 HB1 HIS 77 0.823 -2.530 -14.055 471 HD1 HIS 77 HD1 HIS 77 -1.768 -5.239 -14.638 472 HD2 HIS 77 HD2 HIS 77 1.252 -4.246 -11.953 473 HE1 HIS 77 HE1 HIS 77 -1.511 -7.231 -13.140 474 HE2 HIS 77 HE2 HIS 77 0.504 -6.702 -11.730 475 H LEU 78 HN LEU 78 0.118 -0.565 -12.378 476 HA LEU 78 HA LEU 78 -0.646 -1.807 -9.908 477 HB2 LEU 78 HB2 LEU 78 1.012 0.645 -10.545 478 HB3 LEU 78 HB1 LEU 78 0.818 -0.009 -8.919 479 HG LEU 78 HG LEU 78 1.975 -1.630 -11.230 480 HD11 LEU 78 HD11 LEU 78 3.492 -0.181 -9.054 481 HD12 LEU 78 HD12 LEU 78 3.416 0.294 -10.753 482 HD13 LEU 78 HD13 LEU 78 4.170 -1.232 -10.301 483 HD21 LEU 78 HD21 LEU 78 2.009 -2.100 -8.229 484 HD22 LEU 78 HD22 LEU 78 2.768 -3.122 -9.452 485 HD23 LEU 78 HD23 LEU 78 1.013 -2.975 -9.404 486 H VAL 79 HN VAL 79 -1.617 1.130 -11.606 487 HA VAL 79 HA VAL 79 -3.197 2.214 -9.469 488 HB VAL 79 HB VAL 79 -3.573 2.760 -12.456 489 HG11 VAL 79 HG11 VAL 79 -5.401 3.578 -11.032 490 HG12 VAL 79 HG12 VAL 79 -4.482 4.930 -11.692 491 HG13 VAL 79 HG13 VAL 79 -4.249 4.439 -10.011 492 HG21 VAL 79 HG21 VAL 79 -1.708 4.196 -10.534 493 HG22 VAL 79 HG22 VAL 79 -2.034 4.669 -12.204 494 HG23 VAL 79 HG23 VAL 79 -1.212 3.146 -11.858 495 H THR 80 HN THR 80 -3.857 0.093 -12.267 496 HA THR 80 HA THR 80 -6.653 -0.226 -11.846 497 HB THR 80 HB THR 80 -4.745 -2.184 -13.211 498 HG1 THR 80 HG1 THR 80 -5.101 0.239 -13.905 499 HG21 THR 80 HG21 THR 80 -6.986 -3.175 -12.787 500 HG22 THR 80 HG22 THR 80 -6.738 -2.888 -14.510 501 HG23 THR 80 HG23 THR 80 -7.748 -1.788 -13.572 502 H ALA 81 HN ALA 81 -3.836 -2.001 -10.598 503 HA ALA 81 HA ALA 81 -5.239 -4.054 -9.223 504 HB1 ALA 81 HB1 ALA 81 -2.465 -2.906 -8.695 505 HB2 ALA 81 HB2 ALA 81 -2.839 -4.256 -9.764 506 HB3 ALA 81 HB3 ALA 81 -3.097 -4.420 -8.028 507 H TYR 82 HN TYR 82 -4.030 -0.849 -8.340 508 HA TYR 82 HA TYR 82 -4.643 -0.676 -5.645 509 HB2 TYR 82 HB2 TYR 82 -3.412 1.130 -6.528 510 HB3 TYR 82 HB1 TYR 82 -4.459 1.307 -7.926 511 HD1 TYR 82 HD2 TYR 82 -4.444 1.764 -4.224 512 HD2 TYR 82 HD1 TYR 82 -6.028 3.103 -7.956 513 HE1 TYR 82 HE2 TYR 82 -5.579 3.593 -3.087 514 HE2 TYR 82 HE1 TYR 82 -7.155 4.973 -6.815 515 HH TYR 82 HH TYR 82 -7.965 5.509 -4.527 516 H ASN 83 HN ASN 83 -6.742 0.307 -8.394 517 HA ASN 83 HA ASN 83 -8.981 0.979 -6.779 518 HB2 ASN 83 HB2 ASN 83 -8.717 0.492 -9.770 519 HB3 ASN 83 HB1 ASN 83 -10.270 0.855 -9.032 520 HD21 ASN 83 HD21 ASN 83 -7.219 2.167 -10.029 521 HD22 ASN 83 HD22 ASN 83 -7.584 3.814 -9.681 522 H HIS 84 HN HIS 84 -7.989 -2.032 -8.287 523 HA HIS 84 HA HIS 84 -10.420 -3.478 -8.057 524 HB2 HIS 84 HB2 HIS 84 -8.401 -4.122 -9.479 525 HB3 HIS 84 HB1 HIS 84 -7.587 -4.627 -8.004 526 HD1 HIS 84 HD1 HIS 84 -9.413 -5.987 -10.714 527 HD2 HIS 84 HD2 HIS 84 -9.346 -6.762 -6.627 528 HE1 HIS 84 HE1 HIS 84 -10.330 -8.310 -10.452 529 HE2 HIS 84 HE2 HIS 84 -10.285 -8.761 -7.977 530 H LEU 85 HN LEU 85 -7.606 -3.093 -5.870 531 HA LEU 85 HA LEU 85 -8.126 -5.122 -4.023 532 HB2 LEU 85 HB2 LEU 85 -6.020 -3.751 -4.201 533 HB3 LEU 85 HB1 LEU 85 -6.839 -2.419 -3.451 534 HG LEU 85 HG LEU 85 -6.994 -3.613 -1.336 535 HD11 LEU 85 HD11 LEU 85 -7.410 -5.883 -2.121 536 HD12 LEU 85 HD12 LEU 85 -6.054 -5.859 -0.997 537 HD13 LEU 85 HD13 LEU 85 -5.756 -5.997 -2.729 538 HD21 LEU 85 HD21 LEU 85 -4.202 -3.872 -2.496 539 HD22 LEU 85 HD22 LEU 85 -4.608 -3.842 -0.777 540 HD23 LEU 85 HD23 LEU 85 -4.897 -2.415 -1.774 541 H PHE 86 HN PHE 86 -8.908 -1.704 -3.810 542 HA PHE 86 HA PHE 86 -10.228 -1.874 -1.271 543 HB2 PHE 86 HB2 PHE 86 -10.035 0.428 -3.258 544 HB3 PHE 86 HB1 PHE 86 -10.546 0.561 -1.577 545 HD1 PHE 86 HD2 PHE 86 -8.828 0.074 0.264 546 HD2 PHE 86 HD1 PHE 86 -7.682 0.382 -3.805 547 HE1 PHE 86 HE2 PHE 86 -6.492 0.456 0.945 548 HE2 PHE 86 HE1 PHE 86 -5.346 0.675 -3.117 549 HZ PHE 86 HZ PHE 86 -4.745 0.721 -0.746 550 H GLU 87 HN GLU 87 -11.252 -2.138 -4.582 551 HA GLU 87 HA GLU 87 -14.051 -1.611 -4.083 552 HB2 GLU 87 HB2 GLU 87 -12.778 -1.219 -6.292 553 HB3 GLU 87 HB1 GLU 87 -12.879 -2.954 -6.554 554 HG2 GLU 87 HG2 GLU 87 -14.642 -1.867 -7.788 555 HG3 GLU 87 HG1 GLU 87 -15.363 -2.781 -6.466 556 H THR 88 HN THR 88 -12.033 -4.291 -3.555 557 HA THR 88 HA THR 88 -14.354 -6.131 -3.337 558 HB THR 88 HB THR 88 -12.682 -8.010 -3.779 559 HG1 THR 88 HG1 THR 88 -11.071 -5.766 -4.386 560 HG21 THR 88 HG21 THR 88 -14.237 -7.310 -5.570 561 HG22 THR 88 HG22 THR 88 -12.667 -7.763 -6.242 562 HG23 THR 88 HG23 THR 88 -13.098 -6.059 -6.075 563 H LYS 89 HN LYS 89 -12.019 -4.427 -1.693 564 HA LYS 89 HA LYS 89 -11.389 -4.244 0.460 565 HB2 LYS 89 HB2 LYS 89 -13.642 -6.212 1.034 566 HB3 LYS 89 HB1 LYS 89 -12.858 -5.164 2.213 567 HG2 LYS 89 HG2 LYS 89 -14.580 -4.283 -0.124 568 HG3 LYS 89 HG1 LYS 89 -15.039 -4.280 1.584 569 HD2 LYS 89 HD2 LYS 89 -13.253 -2.593 2.034 570 HD3 LYS 89 HD1 LYS 89 -12.850 -2.585 0.309 571 HE2 LYS 89 HE2 LYS 89 -15.208 -1.832 -0.168 572 HE3 LYS 89 HE1 LYS 89 -15.472 -1.707 1.576 573 HZ1 LYS 89 HZ1 LYS 89 -14.899 0.417 0.662 574 HZ2 LYS 89 HZ2 LYS 89 -13.478 -0.198 -0.017 575 HZ3 LYS 89 HZ3 LYS 89 -13.642 -0.103 1.664 576 H ARG 90 HN ARG 90 -10.135 -6.369 -1.174 577 HA ARG 90 HA ARG 90 -9.921 -8.850 0.180 578 HB2 ARG 90 HB2 ARG 90 -8.249 -7.594 -2.007 579 HB3 ARG 90 HB1 ARG 90 -7.960 -9.232 -1.423 580 HG2 ARG 90 HG2 ARG 90 -10.216 -9.895 -2.116 581 HG3 ARG 90 HG1 ARG 90 -10.550 -8.250 -2.669 582 HD2 ARG 90 HD2 ARG 90 -8.858 -8.417 -4.381 583 HD3 ARG 90 HD1 ARG 90 -8.300 -9.973 -3.751 584 HE ARG 90 HE ARG 90 -11.042 -9.652 -4.820 585 HH11 ARG 90 HH11 ARG 90 -7.959 -11.318 -4.829 586 HH12 ARG 90 HH12 ARG 90 -8.434 -12.458 -6.042 587 HH21 ARG 90 HH21 ARG 90 -11.682 -11.185 -6.377 588 HH22 ARG 90 HH22 ARG 90 -10.567 -12.400 -6.905 589 H PHE 91 HN PHE 91 -8.236 -5.902 0.728 590 HA PHE 91 HA PHE 91 -5.812 -6.845 1.792 591 HB2 PHE 91 HB2 PHE 91 -5.764 -4.633 3.070 592 HB3 PHE 91 HB1 PHE 91 -5.888 -4.530 1.324 593 HD1 PHE 91 HD1 PHE 91 -7.902 -3.721 0.246 594 HD2 PHE 91 HD2 PHE 91 -7.648 -3.922 4.505 595 HE1 PHE 91 HE1 PHE 91 -9.884 -2.277 0.442 596 HE2 PHE 91 HE2 PHE 91 -9.621 -2.473 4.688 597 HZ PHE 91 HZ PHE 91 -10.747 -1.654 2.661 598 H LYS 92 HN LYS 92 -5.117 -7.105 3.958 599 HA LYS 92 HA LYS 92 -6.649 -9.104 5.192 600 HB2 LYS 92 HB2 LYS 92 -4.139 -7.734 6.250 601 HB3 LYS 92 HB1 LYS 92 -4.746 -9.315 6.743 602 HG2 LYS 92 HG2 LYS 92 -3.710 -8.582 3.976 603 HG3 LYS 92 HG1 LYS 92 -2.815 -9.490 5.198 604 HD2 LYS 92 HD2 LYS 92 -5.440 -10.409 3.941 605 HD3 LYS 92 HD1 LYS 92 -3.841 -10.914 3.386 606 HE2 LYS 92 HE2 LYS 92 -5.017 -11.440 6.139 607 HE3 LYS 92 HE1 LYS 92 -4.859 -12.614 4.836 608 HZ1 LYS 92 HZ1 LYS 92 -3.079 -12.887 6.397 609 HZ2 LYS 92 HZ2 LYS 92 -2.638 -11.263 6.262 610 HZ3 LYS 92 HZ3 LYS 92 -2.441 -12.302 4.943 Start of MODEL 18 1 H MET 20 H MET 20 -17.282 -7.431 4.775 2 HA MET 20 HA MET 20 -16.768 -10.315 4.382 3 HB2 MET 20 HB2 MET 20 -16.336 -9.109 2.301 4 HB3 MET 20 HB1 MET 20 -15.384 -7.895 3.146 5 HG2 MET 20 HG2 MET 20 -14.012 -9.544 1.886 6 HG3 MET 20 HG1 MET 20 -13.639 -9.506 3.612 7 HE1 MET 20 HE1 MET 20 -12.350 -11.829 3.364 8 HE2 MET 20 HE2 MET 20 -12.750 -11.972 1.650 9 HE3 MET 20 HE3 MET 20 -13.089 -13.310 2.750 10 H ALA 21 HN ALA 21 -15.156 -7.242 5.317 11 HA ALA 21 HA ALA 21 -14.436 -8.208 7.940 12 HB1 ALA 21 HB1 ALA 21 -12.648 -9.275 6.594 13 HB2 ALA 21 HB2 ALA 21 -11.992 -8.033 7.663 14 HB3 ALA 21 HB3 ALA 21 -12.190 -7.702 5.939 15 H ALA 22 HN ALA 22 -14.811 -6.456 9.162 16 HA ALA 22 HA ALA 22 -14.882 -3.753 8.181 17 HB1 ALA 22 HB1 ALA 22 -15.439 -3.155 10.510 18 HB2 ALA 22 HB2 ALA 22 -15.037 -4.790 11.038 19 HB3 ALA 22 HB3 ALA 22 -16.417 -4.525 9.971 20 H ALA 23 HN ALA 23 -12.779 -3.465 7.363 21 HA ALA 23 HA ALA 23 -10.663 -2.721 9.208 22 HB1 ALA 23 HB1 ALA 23 -10.292 -5.148 8.938 23 HB2 ALA 23 HB2 ALA 23 -8.997 -4.237 8.157 24 HB3 ALA 23 HB3 ALA 23 -10.279 -4.970 7.187 25 H VAL 24 HN VAL 24 -9.813 -0.878 8.410 26 HA VAL 24 HA VAL 24 -10.207 -0.186 5.568 27 HB VAL 24 HB VAL 24 -9.848 2.165 6.226 28 HG11 VAL 24 HG11 VAL 24 -12.139 1.265 6.245 29 HG12 VAL 24 HG12 VAL 24 -11.941 2.511 7.476 30 HG13 VAL 24 HG13 VAL 24 -11.965 0.808 7.942 31 HG21 VAL 24 HG21 VAL 24 -8.303 1.875 8.127 32 HG22 VAL 24 HG22 VAL 24 -9.590 1.159 9.095 33 HG23 VAL 24 HG23 VAL 24 -9.692 2.854 8.611 34 HA PRO 25 HA PRO 25 -5.715 -0.464 5.017 35 HB2 PRO 25 HB2 PRO 25 -5.528 0.336 2.462 36 HB3 PRO 25 HB1 PRO 25 -6.375 -1.168 2.866 37 HG2 PRO 25 HG2 PRO 25 -7.532 1.567 2.298 38 HG3 PRO 25 HG1 PRO 25 -8.041 -0.010 1.657 39 HD2 PRO 25 HD2 PRO 25 -9.264 1.226 3.803 40 HD3 PRO 25 HD1 PRO 25 -9.253 -0.535 3.567 41 H GLN 26 HN GLN 26 -3.879 0.935 4.763 42 HA GLN 26 HA GLN 26 -4.322 3.785 5.306 43 HB2 GLN 26 HB2 GLN 26 -1.773 2.115 5.273 44 HB3 GLN 26 HB1 GLN 26 -1.837 3.832 5.649 45 HG2 GLN 26 HG2 GLN 26 -3.294 3.286 7.609 46 HG3 GLN 26 HG1 GLN 26 -3.043 1.572 7.264 47 HE21 GLN 26 HE21 GLN 26 -0.210 1.872 6.504 48 HE22 GLN 26 HE22 GLN 26 0.649 2.199 7.963 49 H ARG 27 HN ARG 27 -5.287 3.596 2.959 50 HA ARG 27 HA ARG 27 -3.518 3.649 0.744 51 HB2 ARG 27 HB2 ARG 27 -5.343 4.295 -0.604 52 HB3 ARG 27 HB1 ARG 27 -6.121 3.384 0.680 53 HG2 ARG 27 HG2 ARG 27 -5.975 6.424 0.568 54 HG3 ARG 27 HG1 ARG 27 -7.331 5.472 -0.027 55 HD2 ARG 27 HD2 ARG 27 -6.347 5.349 2.835 56 HD3 ARG 27 HD1 ARG 27 -7.598 6.472 2.287 57 HE ARG 27 HE ARG 27 -8.362 3.909 1.501 58 HH11 ARG 27 HH11 ARG 27 -7.780 5.501 4.574 59 HH12 ARG 27 HH12 ARG 27 -9.117 4.727 5.366 60 HH21 ARG 27 HH21 ARG 27 -10.106 2.898 2.550 61 HH22 ARG 27 HH22 ARG 27 -10.427 3.250 4.220 62 H ALA 28 HN ALA 28 -2.528 5.463 -0.312 63 HA ALA 28 HA ALA 28 -2.207 7.844 1.446 64 HB1 ALA 28 HB1 ALA 28 0.240 7.678 1.208 65 HB2 ALA 28 HB2 ALA 28 0.061 6.219 0.223 66 HB3 ALA 28 HB3 ALA 28 -0.423 6.204 1.918 67 H TRP 29 HN TRP 29 -2.675 6.690 -1.742 68 HA TRP 29 HA TRP 29 -1.570 9.161 -2.961 69 HB2 TRP 29 HB2 TRP 29 -1.442 6.454 -4.346 70 HB3 TRP 29 HB1 TRP 29 -0.592 7.936 -4.777 71 HD1 TRP 29 HD1 TRP 29 1.148 8.746 -2.473 72 HE1 TRP 29 HE1 TRP 29 2.838 7.195 -1.302 73 HE3 TRP 29 HE3 TRP 29 -0.739 4.208 -3.924 74 HZ2 TRP 29 HZ2 TRP 29 3.319 4.429 -1.045 75 HZ3 TRP 29 HZ3 TRP 29 0.406 2.160 -3.170 76 HH2 TRP 29 HH2 TRP 29 2.390 2.275 -1.756 77 H THR 30 HN THR 30 -2.865 10.145 -4.398 78 HA THR 30 HA THR 30 -5.487 9.078 -5.054 79 HB THR 30 HB THR 30 -4.176 11.623 -6.128 80 HG1 THR 30 HG1 THR 30 -5.558 11.167 -3.673 81 HG21 THR 30 HG21 THR 30 -7.115 10.935 -5.693 82 HG22 THR 30 HG22 THR 30 -6.300 10.990 -7.259 83 HG23 THR 30 HG23 THR 30 -6.492 12.466 -6.311 84 H VAL 31 HN VAL 31 -6.144 8.975 -7.431 85 HA VAL 31 HA VAL 31 -4.563 7.105 -8.813 86 HB VAL 31 HB VAL 31 -6.799 8.831 -9.959 87 HG11 VAL 31 HG11 VAL 31 -7.141 7.047 -11.639 88 HG12 VAL 31 HG12 VAL 31 -5.731 6.191 -11.010 89 HG13 VAL 31 HG13 VAL 31 -5.534 7.765 -11.778 90 HG21 VAL 31 HG21 VAL 31 -8.316 6.965 -9.411 91 HG22 VAL 31 HG22 VAL 31 -7.538 7.603 -7.961 92 HG23 VAL 31 HG23 VAL 31 -6.974 6.088 -8.671 93 H GLU 32 HN GLU 32 -4.772 10.605 -9.095 94 HA GLU 32 HA GLU 32 -3.143 11.016 -11.376 95 HB2 GLU 32 HB2 GLU 32 -3.009 13.374 -10.579 96 HB3 GLU 32 HB1 GLU 32 -4.656 12.751 -10.585 97 HG2 GLU 32 HG2 GLU 32 -4.504 12.362 -8.140 98 HG3 GLU 32 HG1 GLU 32 -2.877 13.029 -8.141 99 H GLN 33 HN GLN 33 -2.343 10.815 -7.891 100 HA GLN 33 HA GLN 33 0.406 11.461 -8.119 101 HB2 GLN 33 HB2 GLN 33 -0.973 9.747 -6.016 102 HB3 GLN 33 HB1 GLN 33 0.694 10.312 -5.909 103 HG2 GLN 33 HG2 GLN 33 -0.242 12.683 -6.028 104 HG3 GLN 33 HG1 GLN 33 -1.840 11.956 -5.814 105 HE21 GLN 33 HE21 GLN 33 1.239 12.637 -4.310 106 HE22 GLN 33 HE22 GLN 33 0.749 12.329 -2.682 107 H LEU 34 HN LEU 34 -1.381 8.446 -8.434 108 HA LEU 34 HA LEU 34 0.800 6.634 -8.413 109 HB2 LEU 34 HB2 LEU 34 -1.924 6.412 -9.738 110 HB3 LEU 34 HB1 LEU 34 -0.800 5.071 -9.563 111 HG LEU 34 HG LEU 34 -2.020 6.555 -7.205 112 HD11 LEU 34 HD11 LEU 34 -3.768 5.461 -8.587 113 HD12 LEU 34 HD12 LEU 34 -3.604 4.755 -6.986 114 HD13 LEU 34 HD13 LEU 34 -2.936 3.916 -8.387 115 HD21 LEU 34 HD21 LEU 34 0.084 5.410 -6.668 116 HD22 LEU 34 HD22 LEU 34 -0.542 3.902 -7.339 117 HD23 LEU 34 HD23 LEU 34 -1.282 4.602 -5.898 118 H ARG 35 HN ARG 35 -1.120 8.015 -11.102 119 HA ARG 35 HA ARG 35 0.317 6.736 -13.191 120 HB2 ARG 35 HB2 ARG 35 -0.992 8.110 -14.725 121 HB3 ARG 35 HB1 ARG 35 -2.028 7.534 -13.421 122 HG2 ARG 35 HG2 ARG 35 -1.899 9.730 -12.323 123 HG3 ARG 35 HG1 ARG 35 -0.814 10.315 -13.586 124 HD2 ARG 35 HD2 ARG 35 -2.635 9.914 -15.255 125 HD3 ARG 35 HD1 ARG 35 -3.715 9.494 -13.917 126 HE ARG 35 HE ARG 35 -2.531 12.040 -13.469 127 HH11 ARG 35 HH11 ARG 35 -5.033 10.482 -15.369 128 HH12 ARG 35 HH12 ARG 35 -5.914 11.950 -15.638 129 HH21 ARG 35 HH21 ARG 35 -3.691 13.962 -13.813 130 HH22 ARG 35 HH22 ARG 35 -5.140 13.934 -14.772 131 H SER 36 HN SER 36 0.830 9.699 -11.460 132 HA SER 36 HA SER 36 2.673 10.979 -13.188 133 HB2 SER 36 HB2 SER 36 1.584 12.143 -11.269 134 HB3 SER 36 HB1 SER 36 2.496 11.131 -10.147 135 HG SER 36 HG SER 36 3.472 13.197 -10.524 136 H GLU 37 HN GLU 37 4.591 10.202 -13.798 137 HA GLU 37 HA GLU 37 5.671 7.786 -12.673 138 HB2 GLU 37 HB2 GLU 37 5.686 8.653 -15.186 139 HB3 GLU 37 HB1 GLU 37 7.173 9.455 -14.715 140 HG2 GLU 37 HG2 GLU 37 7.657 7.329 -15.796 141 HG3 GLU 37 HG1 GLU 37 8.165 7.278 -14.107 142 H GLN 38 HN GLN 38 6.065 11.070 -11.898 143 HA GLN 38 HA GLN 38 8.578 11.297 -10.727 144 HB2 GLN 38 HB2 GLN 38 5.936 12.286 -9.563 145 HB3 GLN 38 HB1 GLN 38 7.539 12.913 -9.173 146 HG2 GLN 38 HG2 GLN 38 7.775 13.727 -11.495 147 HG3 GLN 38 HG1 GLN 38 6.171 13.096 -11.883 148 HE21 GLN 38 HE21 GLN 38 5.282 15.111 -12.403 149 HE22 GLN 38 HE22 GLN 38 5.002 16.348 -11.230 150 H LEU 39 HN LEU 39 5.642 9.738 -9.532 151 HA LEU 39 HA LEU 39 6.794 8.711 -7.089 152 HB2 LEU 39 HB2 LEU 39 4.275 9.283 -7.686 153 HB3 LEU 39 HB1 LEU 39 4.245 7.679 -8.390 154 HG LEU 39 HG LEU 39 4.876 8.262 -5.459 155 HD11 LEU 39 HD11 LEU 39 2.620 7.493 -4.913 156 HD12 LEU 39 HD12 LEU 39 2.238 7.322 -6.631 157 HD13 LEU 39 HD13 LEU 39 2.569 8.917 -5.951 158 HD21 LEU 39 HD21 LEU 39 4.480 5.876 -5.074 159 HD22 LEU 39 HD22 LEU 39 5.817 6.132 -6.190 160 HD23 LEU 39 HD23 LEU 39 4.240 5.626 -6.807 161 HA PRO 40 HA PRO 40 8.770 5.123 -9.239 162 HB2 PRO 40 HB2 PRO 40 8.973 4.139 -6.399 163 HB3 PRO 40 HB1 PRO 40 10.225 4.245 -7.646 164 HG2 PRO 40 HG2 PRO 40 10.181 6.014 -5.654 165 HG3 PRO 40 HG1 PRO 40 10.557 6.542 -7.312 166 HD2 PRO 40 HD2 PRO 40 7.960 6.801 -5.782 167 HD3 PRO 40 HD1 PRO 40 8.788 7.992 -6.813 168 H LYS 41 HN LYS 41 8.554 2.622 -8.819 169 HA LYS 41 HA LYS 41 5.674 1.973 -8.621 170 HB2 LYS 41 HB2 LYS 41 7.960 0.546 -10.062 171 HB3 LYS 41 HB1 LYS 41 6.304 -0.067 -9.963 172 HG2 LYS 41 HG2 LYS 41 5.572 2.131 -11.052 173 HG3 LYS 41 HG1 LYS 41 7.280 2.432 -11.387 174 HD2 LYS 41 HD2 LYS 41 5.648 0.053 -12.351 175 HD3 LYS 41 HD1 LYS 41 6.120 1.444 -13.326 176 HE2 LYS 41 HE2 LYS 41 8.497 0.826 -13.048 177 HE3 LYS 41 HE1 LYS 41 8.026 -0.547 -12.049 178 HZ1 LYS 41 HZ1 LYS 41 6.879 -1.490 -13.951 179 HZ2 LYS 41 HZ2 LYS 41 8.509 -1.206 -14.299 180 HZ3 LYS 41 HZ3 LYS 41 7.323 -0.166 -14.906 181 H LYS 42 HN LYS 42 8.719 1.516 -7.109 182 HA LYS 42 HA LYS 42 8.495 -1.080 -6.066 183 HB2 LYS 42 HB2 LYS 42 10.298 -0.370 -4.476 184 HB3 LYS 42 HB1 LYS 42 10.647 0.024 -6.156 185 HG2 LYS 42 HG2 LYS 42 10.051 2.369 -5.766 186 HG3 LYS 42 HG1 LYS 42 9.603 2.001 -4.099 187 HD2 LYS 42 HD2 LYS 42 11.810 3.032 -4.135 188 HD3 LYS 42 HD1 LYS 42 11.961 1.351 -3.624 189 HE2 LYS 42 HE2 LYS 42 12.685 0.739 -5.926 190 HE3 LYS 42 HE1 LYS 42 12.571 2.436 -6.402 191 HZ1 LYS 42 HZ1 LYS 42 14.830 1.849 -5.885 192 HZ2 LYS 42 HZ2 LYS 42 14.398 1.305 -4.343 193 HZ3 LYS 42 HZ3 LYS 42 14.265 2.947 -4.732 194 H ASP 43 HN ASP 43 7.576 2.046 -4.648 195 HA ASP 43 HA ASP 43 6.909 0.948 -2.079 196 HB2 ASP 43 HB2 ASP 43 6.110 3.211 -1.539 197 HB3 ASP 43 HB1 ASP 43 7.714 3.238 -2.250 198 H ILE 44 HN ILE 44 5.104 1.641 -5.010 199 HA ILE 44 HA ILE 44 2.484 1.395 -3.922 200 HB ILE 44 HB ILE 44 3.271 0.748 -6.808 201 HG12 ILE 44 HG12 ILE 44 2.497 3.458 -5.628 202 HG13 ILE 44 HG11 ILE 44 4.110 3.010 -6.172 203 HG21 ILE 44 HG21 ILE 44 0.979 0.035 -6.209 204 HG22 ILE 44 HG22 ILE 44 0.939 1.369 -7.359 205 HG23 ILE 44 HG23 ILE 44 0.602 1.672 -5.652 206 HD11 ILE 44 HD11 ILE 44 1.654 3.281 -7.914 207 HD12 ILE 44 HD12 ILE 44 3.259 2.812 -8.479 208 HD13 ILE 44 HD13 ILE 44 2.997 4.419 -7.803 209 H ILE 45 HN ILE 45 4.464 -0.950 -5.804 210 HA ILE 45 HA ILE 45 2.928 -3.270 -5.469 211 HB ILE 45 HB ILE 45 5.973 -3.041 -5.634 212 HG12 ILE 45 HG12 ILE 45 3.977 -3.531 -7.888 213 HG13 ILE 45 HG11 ILE 45 4.713 -1.972 -7.536 214 HG21 ILE 45 HG21 ILE 45 4.247 -5.478 -6.226 215 HG22 ILE 45 HG22 ILE 45 5.319 -5.287 -4.837 216 HG23 ILE 45 HG23 ILE 45 5.992 -5.365 -6.465 217 HD11 ILE 45 HD11 ILE 45 6.177 -4.463 -8.415 218 HD12 ILE 45 HD12 ILE 45 6.918 -2.901 -8.057 219 HD13 ILE 45 HD13 ILE 45 5.795 -3.056 -9.407 220 H LYS 46 HN LYS 46 5.341 -1.802 -3.348 221 HA LYS 46 HA LYS 46 5.628 -3.826 -1.407 222 HB2 LYS 46 HB2 LYS 46 7.193 -1.932 -1.673 223 HB3 LYS 46 HB1 LYS 46 5.950 -0.812 -1.129 224 HG2 LYS 46 HG2 LYS 46 6.000 -1.767 1.112 225 HG3 LYS 46 HG1 LYS 46 7.115 -3.031 0.587 226 HD2 LYS 46 HD2 LYS 46 8.315 -1.266 1.813 227 HD3 LYS 46 HD1 LYS 46 8.856 -1.342 0.136 228 HE2 LYS 46 HE2 LYS 46 7.417 0.611 -0.399 229 HE3 LYS 46 HE1 LYS 46 6.906 0.692 1.286 230 HZ1 LYS 46 HZ1 LYS 46 9.172 1.146 1.926 231 HZ2 LYS 46 HZ2 LYS 46 8.666 2.272 0.771 232 HZ3 LYS 46 HZ3 LYS 46 9.692 1.007 0.324 233 H PHE 47 HN PHE 47 3.472 -1.007 -1.523 234 HA PHE 47 HA PHE 47 2.234 -1.399 1.008 235 HB2 PHE 47 HB2 PHE 47 2.133 0.785 -0.028 236 HB3 PHE 47 HB1 PHE 47 1.371 0.131 -1.476 237 HD1 PHE 47 HD2 PHE 47 0.636 -0.136 2.199 238 HD2 PHE 47 HD1 PHE 47 -0.846 0.903 -1.664 239 HE1 PHE 47 HE2 PHE 47 -1.576 0.321 3.173 240 HE2 PHE 47 HE1 PHE 47 -3.056 1.344 -0.686 241 HZ PHE 47 HZ PHE 47 -3.426 1.058 1.729 242 H LEU 48 HN LEU 48 1.346 -2.366 -2.272 243 HA LEU 48 HA LEU 48 -1.229 -3.401 -1.614 244 HB2 LEU 48 HB2 LEU 48 0.481 -3.854 -4.081 245 HB3 LEU 48 HB1 LEU 48 -1.235 -4.242 -3.943 246 HG LEU 48 HG LEU 48 -0.031 -1.440 -3.780 247 HD11 LEU 48 HD11 LEU 48 0.097 -2.332 -6.047 248 HD12 LEU 48 HD12 LEU 48 -1.103 -1.047 -5.956 249 HD13 LEU 48 HD13 LEU 48 -1.624 -2.735 -6.022 250 HD21 LEU 48 HD21 LEU 48 -2.949 -2.282 -3.731 251 HD22 LEU 48 HD22 LEU 48 -2.344 -0.625 -3.821 252 HD23 LEU 48 HD23 LEU 48 -2.024 -1.595 -2.389 253 H GLN 49 HN GLN 49 2.005 -4.816 -1.791 254 HA GLN 49 HA GLN 49 1.039 -7.527 -1.424 255 HB2 GLN 49 HB2 GLN 49 3.289 -8.283 -1.453 256 HB3 GLN 49 HB1 GLN 49 3.193 -7.012 -2.671 257 HG2 GLN 49 HG2 GLN 49 4.272 -5.435 -1.152 258 HG3 GLN 49 HG1 GLN 49 4.279 -6.637 0.136 259 HE21 GLN 49 HE21 GLN 49 5.104 -7.218 -3.274 260 HE22 GLN 49 HE22 GLN 49 6.761 -7.596 -2.987 261 H GLU 50 HN GLU 50 2.006 -4.882 0.586 262 HA GLU 50 HA GLU 50 2.612 -6.191 3.008 263 HB2 GLU 50 HB2 GLU 50 3.068 -3.770 2.547 264 HB3 GLU 50 HB1 GLU 50 1.343 -3.441 2.601 265 HG2 GLU 50 HG2 GLU 50 2.333 -2.743 4.678 266 HG3 GLU 50 HG1 GLU 50 1.308 -4.143 4.985 267 H HIS 51 HN HIS 51 -0.470 -5.096 1.617 268 HA HIS 51 HA HIS 51 -1.903 -6.028 4.048 269 HB2 HIS 51 HB2 HIS 51 -2.008 -3.540 3.221 270 HB3 HIS 51 HB1 HIS 51 -3.110 -4.148 1.990 271 HD1 HIS 51 HD1 HIS 51 -3.899 -6.153 4.815 272 HD2 HIS 51 HD2 HIS 51 -4.603 -2.181 3.814 273 HE1 HIS 51 HE1 HIS 51 -5.793 -5.424 6.290 274 HE2 HIS 51 HE2 HIS 51 -6.036 -2.966 5.814 275 H GLY 52 HN GLY 52 -1.855 -6.252 0.507 276 HA2 GLY 52 HA2 GLY 52 -4.287 -7.570 0.038 277 HA3 GLY 52 HA1 GLY 52 -2.877 -7.609 -1.007 278 H SER 53 HN SER 53 -4.899 -9.672 -0.190 279 HA SER 53 HA SER 53 -3.537 -11.699 1.372 280 HB2 SER 53 HB2 SER 53 -5.531 -13.068 0.831 281 HB3 SER 53 HB1 SER 53 -6.030 -11.456 1.351 282 HG SER 53 HG SER 53 -7.001 -11.290 -0.496 283 H ASP 54 HN ASP 54 -3.532 -14.040 0.336 284 HA ASP 54 HA ASP 54 -1.536 -14.217 -1.632 285 HB2 ASP 54 HB2 ASP 54 -3.592 -16.363 -0.947 286 HB3 ASP 54 HB1 ASP 54 -2.041 -16.635 -1.737 287 H SER 55 HN SER 55 -5.044 -14.569 -1.887 288 HA SER 55 HA SER 55 -5.240 -15.318 -4.600 289 HB2 SER 55 HB2 SER 55 -7.075 -15.654 -2.985 290 HB3 SER 55 HB1 SER 55 -7.283 -13.910 -2.833 291 HG SER 55 HG SER 55 -7.493 -15.249 -5.319 292 H PHE 56 HN PHE 56 -5.070 -12.135 -3.039 293 HA PHE 56 HA PHE 56 -5.622 -10.606 -5.422 294 HB2 PHE 56 HB2 PHE 56 -6.032 -9.587 -3.227 295 HB3 PHE 56 HB1 PHE 56 -4.348 -9.799 -2.764 296 HD1 PHE 56 HD1 PHE 56 -6.303 -8.208 -5.567 297 HD2 PHE 56 HD2 PHE 56 -3.017 -7.856 -2.854 298 HE1 PHE 56 HE1 PHE 56 -5.780 -5.979 -6.472 299 HE2 PHE 56 HE2 PHE 56 -2.499 -5.634 -3.772 300 HZ PHE 56 HZ PHE 56 -3.877 -4.695 -5.586 301 H LEU 57 HN LEU 57 -2.680 -11.612 -3.701 302 HA LEU 57 HA LEU 57 -0.900 -9.949 -5.186 303 HB2 LEU 57 HB2 LEU 57 -0.301 -12.280 -3.334 304 HB3 LEU 57 HB1 LEU 57 0.912 -11.192 -3.995 305 HG LEU 57 HG LEU 57 -1.238 -10.559 -1.958 306 HD11 LEU 57 HD11 LEU 57 1.772 -10.295 -1.826 307 HD12 LEU 57 HD12 LEU 57 0.792 -11.549 -1.061 308 HD13 LEU 57 HD13 LEU 57 0.629 -9.871 -0.546 309 HD21 LEU 57 HD21 LEU 57 0.492 -8.537 -3.410 310 HD22 LEU 57 HD22 LEU 57 -0.581 -8.213 -2.046 311 HD23 LEU 57 HD23 LEU 57 -1.257 -8.733 -3.580 312 H ALA 58 HN ALA 58 -1.789 -13.365 -5.436 313 HA ALA 58 HA ALA 58 0.215 -14.090 -7.319 314 HB1 ALA 58 HB1 ALA 58 -0.931 -15.746 -5.895 315 HB2 ALA 58 HB2 ALA 58 -1.089 -16.154 -7.605 316 HB3 ALA 58 HB3 ALA 58 -2.447 -15.427 -6.742 317 H GLU 59 HN GLU 59 -3.252 -13.303 -7.679 318 HA GLU 59 HA GLU 59 -3.309 -13.521 -10.524 319 HB2 GLU 59 HB2 GLU 59 -5.236 -12.115 -8.631 320 HB3 GLU 59 HB1 GLU 59 -5.555 -12.462 -10.333 321 HG2 GLU 59 HG2 GLU 59 -5.146 -14.493 -8.115 322 HG3 GLU 59 HG1 GLU 59 -6.664 -14.103 -8.920 323 H HIS 60 HN HIS 60 -2.319 -10.921 -8.435 324 HA HIS 60 HA HIS 60 -2.208 -9.035 -10.723 325 HB2 HIS 60 HB2 HIS 60 -2.213 -8.530 -7.716 326 HB3 HIS 60 HB1 HIS 60 -1.848 -7.275 -8.896 327 HD1 HIS 60 HD1 HIS 60 -4.706 -9.655 -8.054 328 HD2 HIS 60 HD2 HIS 60 -4.024 -5.927 -9.758 329 HE1 HIS 60 HE1 HIS 60 -6.984 -8.691 -8.495 330 HE2 HIS 60 HE2 HIS 60 -6.532 -6.542 -9.720 331 H LYS 61 HN LYS 61 -0.289 -11.191 -9.059 332 HA LYS 61 HA LYS 61 1.912 -11.707 -9.057 333 HB2 LYS 61 HB2 LYS 61 1.956 -9.792 -11.422 334 HB3 LYS 61 HB1 LYS 61 3.286 -10.875 -11.010 335 HG2 LYS 61 HG2 LYS 61 1.890 -12.826 -11.407 336 HG3 LYS 61 HG1 LYS 61 0.469 -11.813 -11.671 337 HD2 LYS 61 HD2 LYS 61 2.959 -11.857 -13.426 338 HD3 LYS 61 HD1 LYS 61 1.427 -12.652 -13.796 339 HE2 LYS 61 HE2 LYS 61 0.314 -10.412 -13.785 340 HE3 LYS 61 HE1 LYS 61 1.888 -9.663 -13.524 341 HZ1 LYS 61 HZ1 LYS 61 2.623 -10.552 -15.638 342 HZ2 LYS 61 HZ2 LYS 61 1.238 -9.608 -15.837 343 HZ3 LYS 61 HZ3 LYS 61 1.120 -11.295 -15.887 344 H LEU 62 HN LEU 62 1.087 -9.566 -7.292 345 HA LEU 62 HA LEU 62 3.189 -7.535 -7.298 346 HB2 LEU 62 HB2 LEU 62 0.767 -7.903 -5.505 347 HB3 LEU 62 HB1 LEU 62 1.874 -6.535 -5.413 348 HG LEU 62 HG LEU 62 0.179 -7.224 -7.843 349 HD11 LEU 62 HD11 LEU 62 -1.195 -6.550 -5.930 350 HD12 LEU 62 HD12 LEU 62 -1.241 -5.377 -7.238 351 HD13 LEU 62 HD13 LEU 62 -0.277 -5.049 -5.797 352 HD21 LEU 62 HD21 LEU 62 0.820 -4.995 -8.676 353 HD22 LEU 62 HD22 LEU 62 2.232 -6.022 -8.458 354 HD23 LEU 62 HD23 LEU 62 1.875 -4.760 -7.276 355 H LEU 63 HN LEU 63 2.809 -10.602 -5.966 356 HA LEU 63 HA LEU 63 4.221 -10.167 -3.476 357 HB2 LEU 63 HB2 LEU 63 4.253 -12.720 -3.400 358 HB3 LEU 63 HB1 LEU 63 2.684 -11.939 -3.404 359 HG LEU 63 HG LEU 63 2.524 -12.475 -5.896 360 HD11 LEU 63 HD11 LEU 63 4.847 -12.892 -6.435 361 HD12 LEU 63 HD12 LEU 63 3.868 -14.310 -6.793 362 HD13 LEU 63 HD13 LEU 63 4.890 -14.285 -5.352 363 HD21 LEU 63 HD21 LEU 63 1.799 -14.791 -5.517 364 HD22 LEU 63 HD22 LEU 63 1.276 -13.722 -4.220 365 HD23 LEU 63 HD23 LEU 63 2.645 -14.809 -3.964 366 H GLY 64 HN GLY 64 6.179 -11.723 -3.091 367 HA2 GLY 64 HA2 GLY 64 8.284 -12.498 -3.609 368 HA3 GLY 64 HA1 GLY 64 7.977 -12.154 -5.304 369 H ASN 65 HN ASN 65 10.215 -11.414 -5.346 370 HA ASN 65 HA ASN 65 11.191 -9.192 -3.840 371 HB2 ASN 65 HB2 ASN 65 12.093 -10.357 -6.517 372 HB3 ASN 65 HB1 ASN 65 12.935 -9.046 -5.706 373 HD21 ASN 65 HD21 ASN 65 11.523 -11.865 -4.049 374 HD22 ASN 65 HD22 ASN 65 13.030 -12.532 -3.556 375 H ILE 66 HN ILE 66 10.429 -7.184 -3.963 376 HA ILE 66 HA ILE 66 8.435 -6.291 -5.676 377 HB ILE 66 HB ILE 66 10.406 -4.622 -4.061 378 HG12 ILE 66 HG12 ILE 66 7.582 -5.513 -3.308 379 HG13 ILE 66 HG11 ILE 66 9.048 -6.320 -2.762 380 HG21 ILE 66 HG21 ILE 66 8.698 -2.820 -4.118 381 HG22 ILE 66 HG22 ILE 66 7.729 -3.788 -5.230 382 HG23 ILE 66 HG23 ILE 66 9.315 -3.199 -5.727 383 HD11 ILE 66 HD11 ILE 66 8.319 -3.459 -2.157 384 HD12 ILE 66 HD12 ILE 66 9.721 -4.343 -1.548 385 HD13 ILE 66 HD13 ILE 66 8.096 -4.836 -1.076 386 H LYS 67 HN LYS 67 11.967 -5.575 -5.867 387 HA LYS 67 HA LYS 67 11.764 -3.817 -8.078 388 HB2 LYS 67 HB2 LYS 67 14.132 -3.752 -8.200 389 HB3 LYS 67 HB1 LYS 67 13.735 -3.874 -6.500 390 HG2 LYS 67 HG2 LYS 67 14.622 -6.255 -8.159 391 HG3 LYS 67 HG1 LYS 67 15.745 -5.201 -7.309 392 HD2 LYS 67 HD2 LYS 67 14.409 -5.812 -5.169 393 HD3 LYS 67 HD1 LYS 67 13.691 -7.103 -6.137 394 HE2 LYS 67 HE2 LYS 67 15.954 -8.017 -6.581 395 HE3 LYS 67 HE1 LYS 67 16.668 -6.722 -5.627 396 HZ1 LYS 67 HZ1 LYS 67 15.448 -7.568 -3.698 397 HZ2 LYS 67 HZ2 LYS 67 16.523 -8.706 -4.335 398 HZ3 LYS 67 HZ3 LYS 67 14.869 -8.854 -4.632 399 H ASN 68 HN ASN 68 12.019 -7.305 -7.919 400 HA ASN 68 HA ASN 68 12.696 -7.751 -10.677 401 HB2 ASN 68 HB2 ASN 68 13.179 -9.409 -8.860 402 HB3 ASN 68 HB1 ASN 68 11.451 -9.673 -8.664 403 HD21 ASN 68 HD21 ASN 68 11.621 -11.891 -9.173 404 HD22 ASN 68 HD22 ASN 68 11.934 -12.453 -10.776 405 H VAL 69 HN VAL 69 9.725 -7.582 -8.787 406 HA VAL 69 HA VAL 69 7.894 -8.107 -10.931 407 HB VAL 69 HB VAL 69 7.422 -6.637 -8.292 408 HG11 VAL 69 HG11 VAL 69 5.011 -7.177 -8.645 409 HG12 VAL 69 HG12 VAL 69 5.399 -7.818 -10.242 410 HG13 VAL 69 HG13 VAL 69 5.638 -6.103 -9.900 411 HG21 VAL 69 HG21 VAL 69 6.545 -8.789 -7.454 412 HG22 VAL 69 HG22 VAL 69 8.234 -8.934 -7.936 413 HG23 VAL 69 HG23 VAL 69 6.966 -9.567 -8.986 414 H ALA 70 HN ALA 70 9.530 -5.268 -9.679 415 HA ALA 70 HA ALA 70 7.888 -3.287 -10.957 416 HB1 ALA 70 HB1 ALA 70 9.495 -1.653 -10.061 417 HB2 ALA 70 HB2 ALA 70 10.601 -2.962 -9.622 418 HB3 ALA 70 HB3 ALA 70 9.031 -2.825 -8.829 419 H LYS 71 HN LYS 71 10.102 -5.350 -12.344 420 HA LYS 71 HA LYS 71 10.990 -3.417 -14.388 421 HB2 LYS 71 HB2 LYS 71 12.421 -5.112 -15.250 422 HB3 LYS 71 HB1 LYS 71 12.563 -5.217 -13.500 423 HG2 LYS 71 HG2 LYS 71 11.065 -7.181 -13.500 424 HG3 LYS 71 HG1 LYS 71 10.891 -7.061 -15.249 425 HD2 LYS 71 HD2 LYS 71 12.492 -8.808 -14.718 426 HD3 LYS 71 HD1 LYS 71 13.331 -7.470 -15.506 427 HE2 LYS 71 HE2 LYS 71 14.105 -6.677 -13.287 428 HE3 LYS 71 HE1 LYS 71 13.286 -8.035 -12.513 429 HZ1 LYS 71 HZ1 LYS 71 15.552 -8.177 -14.424 430 HZ2 LYS 71 HZ2 LYS 71 14.711 -9.520 -13.837 431 HZ3 LYS 71 HZ3 LYS 71 15.577 -8.539 -12.771 432 H THR 72 HN THR 72 8.367 -5.522 -13.797 433 HA THR 72 HA THR 72 7.658 -5.749 -16.673 434 HB THR 72 HB THR 72 8.608 -7.898 -15.840 435 HG1 THR 72 HG1 THR 72 6.804 -7.775 -17.395 436 HG21 THR 72 HG21 THR 72 6.258 -7.929 -13.904 437 HG22 THR 72 HG22 THR 72 7.958 -7.757 -13.456 438 HG23 THR 72 HG23 THR 72 7.382 -9.260 -14.183 439 H ALA 73 HN ALA 73 6.660 -4.913 -13.504 440 HA ALA 73 HA ALA 73 3.795 -4.849 -14.198 441 HB1 ALA 73 HB1 ALA 73 3.438 -4.289 -11.820 442 HB2 ALA 73 HB2 ALA 73 5.183 -4.275 -11.542 443 HB3 ALA 73 HB3 ALA 73 4.369 -5.779 -11.978 444 H ASN 74 HN ASN 74 3.597 -3.108 -15.570 445 HA ASN 74 HA ASN 74 5.081 -0.663 -15.270 446 HB2 ASN 74 HB2 ASN 74 3.820 0.179 -17.159 447 HB3 ASN 74 HB1 ASN 74 4.236 -1.492 -17.494 448 HD21 ASN 74 HD21 ASN 74 2.076 0.292 -18.534 449 HD22 ASN 74 HD22 ASN 74 0.618 -0.612 -18.303 450 H LYS 75 HN LYS 75 3.800 1.497 -15.260 451 HA LYS 75 HA LYS 75 2.781 1.751 -12.649 452 HB2 LYS 75 HB2 LYS 75 3.939 3.589 -13.931 453 HB3 LYS 75 HB1 LYS 75 2.489 3.779 -14.908 454 HG2 LYS 75 HG2 LYS 75 2.549 5.476 -13.157 455 HG3 LYS 75 HG1 LYS 75 1.194 4.375 -12.901 456 HD2 LYS 75 HD2 LYS 75 2.162 4.705 -10.747 457 HD3 LYS 75 HD1 LYS 75 2.682 3.098 -11.249 458 HE2 LYS 75 HE2 LYS 75 4.514 4.368 -10.194 459 HE3 LYS 75 HE1 LYS 75 4.883 4.010 -11.884 460 HZ1 LYS 75 HZ1 LYS 75 3.802 6.595 -10.886 461 HZ2 LYS 75 HZ2 LYS 75 4.249 6.240 -12.479 462 HZ3 LYS 75 HZ3 LYS 75 5.424 6.297 -11.270 463 H ASP 76 HN ASP 76 1.148 1.600 -15.800 464 HA ASP 76 HA ASP 76 -1.479 2.257 -15.048 465 HB2 ASP 76 HB2 ASP 76 -0.540 0.365 -17.251 466 HB3 ASP 76 HB1 ASP 76 -2.186 0.970 -17.101 467 H HIS 77 HN HIS 77 0.170 -0.899 -15.042 468 HA HIS 77 HA HIS 77 -1.956 -2.550 -14.211 469 HB2 HIS 77 HB2 HIS 77 0.044 -3.583 -15.089 470 HB3 HIS 77 HB1 HIS 77 1.066 -2.782 -13.902 471 HD1 HIS 77 HD1 HIS 77 -1.588 -5.505 -14.069 472 HD2 HIS 77 HD2 HIS 77 1.561 -4.260 -11.667 473 HE1 HIS 77 HE1 HIS 77 -1.315 -7.293 -12.324 474 HE2 HIS 77 HE2 HIS 77 0.769 -6.635 -11.083 475 H LEU 78 HN LEU 78 0.357 -0.582 -12.387 476 HA LEU 78 HA LEU 78 -0.362 -1.616 -9.798 477 HB2 LEU 78 HB2 LEU 78 1.216 0.872 -10.521 478 HB3 LEU 78 HB1 LEU 78 1.115 0.149 -8.917 479 HG LEU 78 HG LEU 78 2.457 -1.023 -11.378 480 HD11 LEU 78 HD11 LEU 78 4.483 -0.891 -10.048 481 HD12 LEU 78 HD12 LEU 78 3.580 -0.212 -8.693 482 HD13 LEU 78 HD13 LEU 78 3.730 0.697 -10.200 483 HD21 LEU 78 HD21 LEU 78 2.057 -2.364 -8.680 484 HD22 LEU 78 HD22 LEU 78 3.069 -2.965 -9.999 485 HD23 LEU 78 HD23 LEU 78 1.326 -2.850 -10.212 486 H VAL 79 HN VAL 79 -1.396 1.146 -11.726 487 HA VAL 79 HA VAL 79 -2.904 2.496 -9.724 488 HB VAL 79 HB VAL 79 -3.394 2.444 -12.751 489 HG11 VAL 79 HG11 VAL 79 -4.608 4.579 -12.401 490 HG12 VAL 79 HG12 VAL 79 -4.360 4.438 -10.660 491 HG13 VAL 79 HG13 VAL 79 -5.361 3.256 -11.505 492 HG21 VAL 79 HG21 VAL 79 -1.769 4.437 -11.116 493 HG22 VAL 79 HG22 VAL 79 -2.108 4.563 -12.842 494 HG23 VAL 79 HG23 VAL 79 -1.115 3.243 -12.232 495 H THR 80 HN THR 80 -3.709 0.120 -12.228 496 HA THR 80 HA THR 80 -6.404 -0.329 -11.621 497 HB THR 80 HB THR 80 -4.409 -2.280 -12.851 498 HG1 THR 80 HG1 THR 80 -4.428 -0.806 -14.365 499 HG21 THR 80 HG21 THR 80 -7.451 -2.219 -13.069 500 HG22 THR 80 HG22 THR 80 -6.508 -3.433 -12.201 501 HG23 THR 80 HG23 THR 80 -6.378 -3.307 -13.956 502 H ALA 81 HN ALA 81 -3.464 -1.848 -10.317 503 HA ALA 81 HA ALA 81 -4.761 -3.897 -8.831 504 HB1 ALA 81 HB1 ALA 81 -2.559 -4.210 -7.778 505 HB2 ALA 81 HB2 ALA 81 -1.988 -2.696 -8.488 506 HB3 ALA 81 HB3 ALA 81 -2.410 -4.062 -9.527 507 H TYR 82 HN TYR 82 -3.545 -0.654 -8.000 508 HA TYR 82 HA TYR 82 -3.945 -0.715 -5.204 509 HB2 TYR 82 HB2 TYR 82 -2.480 0.912 -6.313 510 HB3 TYR 82 HB1 TYR 82 -3.839 1.624 -7.162 511 HD1 TYR 82 HD2 TYR 82 -2.356 1.187 -3.721 512 HD2 TYR 82 HD1 TYR 82 -5.040 3.426 -6.181 513 HE1 TYR 82 HE2 TYR 82 -2.530 2.922 -1.980 514 HE2 TYR 82 HE1 TYR 82 -5.193 5.140 -4.449 515 HH TYR 82 HH TYR 82 -4.842 5.436 -2.104 516 H ASN 83 HN ASN 83 -5.983 0.738 -7.782 517 HA ASN 83 HA ASN 83 -8.027 1.620 -6.020 518 HB2 ASN 83 HB2 ASN 83 -7.980 1.254 -9.034 519 HB3 ASN 83 HB1 ASN 83 -9.413 1.822 -8.198 520 HD21 ASN 83 HD21 ASN 83 -6.330 2.725 -9.448 521 HD22 ASN 83 HD22 ASN 83 -6.363 4.371 -8.965 522 H HIS 84 HN HIS 84 -7.788 -1.258 -8.110 523 HA HIS 84 HA HIS 84 -10.382 -2.291 -7.522 524 HB2 HIS 84 HB2 HIS 84 -7.954 -3.512 -8.853 525 HB3 HIS 84 HB1 HIS 84 -9.362 -4.500 -8.490 526 HD1 HIS 84 HD1 HIS 84 -11.100 -4.568 -10.228 527 HD2 HIS 84 HD2 HIS 84 -8.728 -1.177 -10.584 528 HE1 HIS 84 HE1 HIS 84 -11.867 -3.434 -12.327 529 HE2 HIS 84 HE2 HIS 84 -10.508 -1.323 -12.452 530 H LEU 85 HN LEU 85 -7.342 -2.495 -5.794 531 HA LEU 85 HA LEU 85 -7.757 -4.841 -4.289 532 HB2 LEU 85 HB2 LEU 85 -5.613 -3.667 -4.218 533 HB3 LEU 85 HB1 LEU 85 -6.357 -2.243 -3.540 534 HG LEU 85 HG LEU 85 -6.733 -3.358 -1.407 535 HD11 LEU 85 HD11 LEU 85 -7.292 -5.565 -2.150 536 HD12 LEU 85 HD12 LEU 85 -5.991 -5.652 -0.969 537 HD13 LEU 85 HD13 LEU 85 -5.637 -5.857 -2.687 538 HD21 LEU 85 HD21 LEU 85 -4.430 -3.768 -0.655 539 HD22 LEU 85 HD22 LEU 85 -4.519 -2.348 -1.696 540 HD23 LEU 85 HD23 LEU 85 -3.887 -3.869 -2.333 541 H PHE 86 HN PHE 86 -8.544 -1.494 -3.554 542 HA PHE 86 HA PHE 86 -9.898 -2.034 -1.077 543 HB2 PHE 86 HB2 PHE 86 -10.006 0.551 -2.648 544 HB3 PHE 86 HB1 PHE 86 -10.121 0.336 -0.900 545 HD1 PHE 86 HD1 PHE 86 -7.757 -1.292 -0.208 546 HD2 PHE 86 HD2 PHE 86 -8.144 1.766 -3.114 547 HE1 PHE 86 HE1 PHE 86 -5.340 -0.797 -0.043 548 HE2 PHE 86 HE2 PHE 86 -5.768 2.280 -2.922 549 HZ PHE 86 HZ PHE 86 -4.362 0.983 -1.399 550 H GLU 87 HN GLU 87 -10.811 -1.540 -4.400 551 HA GLU 87 HA GLU 87 -13.545 -1.033 -4.329 552 HB2 GLU 87 HB2 GLU 87 -12.294 -0.965 -6.409 553 HB3 GLU 87 HB1 GLU 87 -11.823 -2.647 -6.246 554 HG2 GLU 87 HG2 GLU 87 -14.338 -3.189 -6.514 555 HG3 GLU 87 HG1 GLU 87 -14.507 -1.517 -7.046 556 H THR 88 HN THR 88 -11.797 -4.080 -4.026 557 HA THR 88 HA THR 88 -14.291 -5.607 -3.575 558 HB THR 88 HB THR 88 -12.859 -7.599 -4.210 559 HG1 THR 88 HG1 THR 88 -10.979 -6.018 -5.471 560 HG21 THR 88 HG21 THR 88 -14.315 -6.541 -5.916 561 HG22 THR 88 HG22 THR 88 -12.821 -7.143 -6.639 562 HG23 THR 88 HG23 THR 88 -13.016 -5.417 -6.327 563 H LYS 89 HN LYS 89 -11.689 -4.246 -1.985 564 HA LYS 89 HA LYS 89 -10.573 -4.483 -0.054 565 HB2 LYS 89 HB2 LYS 89 -13.215 -5.697 0.833 566 HB3 LYS 89 HB1 LYS 89 -11.944 -5.156 1.930 567 HG2 LYS 89 HG2 LYS 89 -12.174 -2.845 0.931 568 HG3 LYS 89 HG1 LYS 89 -13.563 -3.435 0.025 569 HD2 LYS 89 HD2 LYS 89 -14.493 -2.332 1.906 570 HD3 LYS 89 HD1 LYS 89 -14.608 -4.043 2.304 571 HE2 LYS 89 HE2 LYS 89 -12.359 -2.249 3.284 572 HE3 LYS 89 HE1 LYS 89 -13.848 -2.506 4.185 573 HZ1 LYS 89 HZ1 LYS 89 -11.948 -4.656 3.415 574 HZ2 LYS 89 HZ2 LYS 89 -13.320 -4.828 4.392 575 HZ3 LYS 89 HZ3 LYS 89 -12.007 -3.907 4.930 576 H ARG 90 HN ARG 90 -9.821 -6.371 -1.827 577 HA ARG 90 HA ARG 90 -9.775 -9.053 -0.835 578 HB2 ARG 90 HB2 ARG 90 -8.161 -7.578 -2.940 579 HB3 ARG 90 HB1 ARG 90 -7.804 -9.255 -2.542 580 HG2 ARG 90 HG2 ARG 90 -10.060 -9.927 -3.189 581 HG3 ARG 90 HG1 ARG 90 -10.478 -8.246 -3.543 582 HD2 ARG 90 HD2 ARG 90 -8.862 -8.158 -5.340 583 HD3 ARG 90 HD1 ARG 90 -8.259 -9.772 -4.923 584 HE ARG 90 HE ARG 90 -10.848 -10.265 -5.358 585 HH11 ARG 90 HH11 ARG 90 -8.548 -8.562 -7.379 586 HH12 ARG 90 HH12 ARG 90 -9.378 -8.961 -8.850 587 HH21 ARG 90 HH21 ARG 90 -11.910 -10.765 -7.260 588 HH22 ARG 90 HH22 ARG 90 -11.291 -10.202 -8.782 589 H PHE 91 HN PHE 91 -8.084 -6.341 0.203 590 HA PHE 91 HA PHE 91 -5.699 -7.524 1.118 591 HB2 PHE 91 HB2 PHE 91 -5.620 -5.558 2.713 592 HB3 PHE 91 HB1 PHE 91 -5.710 -5.167 1.007 593 HD1 PHE 91 HD2 PHE 91 -7.752 -5.326 4.142 594 HD2 PHE 91 HD1 PHE 91 -7.428 -3.759 0.184 595 HE1 PHE 91 HE2 PHE 91 -9.647 -3.824 4.571 596 HE2 PHE 91 HE1 PHE 91 -9.320 -2.255 0.628 597 HZ PHE 91 HZ PHE 91 -10.432 -2.287 2.819 598 H LYS 92 HN LYS 92 -5.220 -8.723 2.817 599 HA LYS 92 HA LYS 92 -7.261 -9.642 4.667 600 HB2 LYS 92 HB2 LYS 92 -5.690 -11.285 3.732 601 HB3 LYS 92 HB1 LYS 92 -4.315 -10.367 4.335 602 HG2 LYS 92 HG2 LYS 92 -4.975 -10.845 6.657 603 HG3 LYS 92 HG1 LYS 92 -6.411 -11.699 6.090 604 HD2 LYS 92 HD2 LYS 92 -4.940 -13.367 4.959 605 HD3 LYS 92 HD1 LYS 92 -3.522 -12.532 5.601 606 HE2 LYS 92 HE2 LYS 92 -4.081 -14.505 6.966 607 HE3 LYS 92 HE1 LYS 92 -4.291 -13.026 7.904 608 HZ1 LYS 92 HZ1 LYS 92 -6.113 -14.605 8.205 609 HZ2 LYS 92 HZ2 LYS 92 -6.473 -14.509 6.561 610 HZ3 LYS 92 HZ3 LYS 92 -6.660 -13.149 7.541 Start of MODEL 19 1 H MET 20 H MET 20 -7.945 -10.006 15.441 2 HA MET 20 HA MET 20 -9.195 -8.181 14.541 3 HB2 MET 20 HB2 MET 20 -9.621 -6.951 16.634 4 HB3 MET 20 HB1 MET 20 -7.912 -6.589 16.797 5 HG2 MET 20 HG2 MET 20 -9.108 -4.633 15.982 6 HG3 MET 20 HG1 MET 20 -7.993 -5.222 14.749 7 HE1 MET 20 HE1 MET 20 -12.599 -5.743 14.598 8 HE2 MET 20 HE2 MET 20 -11.755 -4.853 15.866 9 HE3 MET 20 HE3 MET 20 -11.609 -6.610 15.770 10 H ALA 21 HN ALA 21 -7.978 -8.475 12.737 11 HA ALA 21 HA ALA 21 -5.168 -7.752 12.576 12 HB1 ALA 21 HB1 ALA 21 -5.402 -8.299 10.170 13 HB2 ALA 21 HB2 ALA 21 -7.146 -8.489 10.376 14 HB3 ALA 21 HB3 ALA 21 -6.034 -9.596 11.182 15 H ALA 22 HN ALA 22 -4.995 -5.654 13.086 16 HA ALA 22 HA ALA 22 -6.769 -3.598 11.998 17 HB1 ALA 22 HB1 ALA 22 -6.289 -3.614 14.419 18 HB2 ALA 22 HB2 ALA 22 -5.720 -2.120 13.669 19 HB3 ALA 22 HB3 ALA 22 -4.570 -3.395 14.093 20 H ALA 23 HN ALA 23 -4.357 -5.043 10.544 21 HA ALA 23 HA ALA 23 -2.667 -2.811 9.737 22 HB1 ALA 23 HB1 ALA 23 -1.719 -5.083 9.954 23 HB2 ALA 23 HB2 ALA 23 -1.546 -4.491 8.301 24 HB3 ALA 23 HB3 ALA 23 -2.803 -5.670 8.692 25 H VAL 24 HN VAL 24 -4.909 -1.788 9.232 26 HA VAL 24 HA VAL 24 -6.188 -2.535 6.733 27 HB VAL 24 HB VAL 24 -7.763 -0.670 7.201 28 HG11 VAL 24 HG11 VAL 24 -8.218 -2.877 8.188 29 HG12 VAL 24 HG12 VAL 24 -8.785 -1.595 9.259 30 HG13 VAL 24 HG13 VAL 24 -7.282 -2.450 9.627 31 HG21 VAL 24 HG21 VAL 24 -6.240 0.961 8.261 32 HG22 VAL 24 HG22 VAL 24 -6.056 -0.087 9.671 33 HG23 VAL 24 HG23 VAL 24 -7.622 0.645 9.312 34 HA PRO 25 HA PRO 25 -3.497 0.191 4.381 35 HB2 PRO 25 HB2 PRO 25 -4.678 0.040 1.953 36 HB3 PRO 25 HB1 PRO 25 -3.754 -1.297 2.638 37 HG2 PRO 25 HG2 PRO 25 -6.725 -0.902 2.535 38 HG3 PRO 25 HG1 PRO 25 -5.789 -2.385 2.268 39 HD2 PRO 25 HD2 PRO 25 -7.077 -1.791 4.641 40 HD3 PRO 25 HD1 PRO 25 -5.649 -2.849 4.539 41 H GLN 26 HN GLN 26 -3.916 2.066 5.409 42 HA GLN 26 HA GLN 26 -6.015 3.907 4.667 43 HB2 GLN 26 HB2 GLN 26 -3.329 4.438 6.053 44 HB3 GLN 26 HB1 GLN 26 -4.665 5.584 5.929 45 HG2 GLN 26 HG2 GLN 26 -6.063 4.049 7.301 46 HG3 GLN 26 HG1 GLN 26 -4.683 2.962 7.472 47 HE21 GLN 26 HE21 GLN 26 -6.200 4.387 9.530 48 HE22 GLN 26 HE22 GLN 26 -5.059 5.353 10.398 49 H ARG 27 HN ARG 27 -5.966 3.951 2.430 50 HA ARG 27 HA ARG 27 -3.719 3.842 0.827 51 HB2 ARG 27 HB2 ARG 27 -5.084 4.375 -1.059 52 HB3 ARG 27 HB1 ARG 27 -6.022 3.364 0.023 53 HG2 ARG 27 HG2 ARG 27 -6.315 6.371 -0.028 54 HG3 ARG 27 HG1 ARG 27 -7.187 5.324 -1.143 55 HD2 ARG 27 HD2 ARG 27 -8.248 4.172 0.723 56 HD3 ARG 27 HD1 ARG 27 -7.329 5.141 1.880 57 HE ARG 27 HE ARG 27 -8.555 7.111 0.850 58 HH11 ARG 27 HH11 ARG 27 -10.057 3.923 0.821 59 HH12 ARG 27 HH12 ARG 27 -11.665 4.550 0.997 60 HH21 ARG 27 HH21 ARG 27 -10.659 7.907 1.078 61 HH22 ARG 27 HH22 ARG 27 -11.998 6.810 1.146 62 H ALA 28 HN ALA 28 -2.295 5.246 0.094 63 HA ALA 28 HA ALA 28 -2.151 7.828 1.473 64 HB1 ALA 28 HB1 ALA 28 -0.278 6.233 1.696 65 HB2 ALA 28 HB2 ALA 28 0.243 7.732 0.926 66 HB3 ALA 28 HB3 ALA 28 -0.021 6.283 -0.051 67 H TRP 29 HN TRP 29 -2.330 6.501 -1.765 68 HA TRP 29 HA TRP 29 -1.807 9.151 -2.979 69 HB2 TRP 29 HB2 TRP 29 -1.309 6.414 -4.224 70 HB3 TRP 29 HB1 TRP 29 -0.865 7.981 -4.903 71 HD1 TRP 29 HD1 TRP 29 0.773 9.422 -2.818 72 HE1 TRP 29 HE1 TRP 29 2.945 8.467 -1.826 73 HE3 TRP 29 HE3 TRP 29 0.002 4.455 -3.787 74 HZ2 TRP 29 HZ2 TRP 29 4.166 5.957 -1.494 75 HZ3 TRP 29 HZ3 TRP 29 1.723 2.842 -3.087 76 HH2 TRP 29 HH2 TRP 29 3.765 3.579 -1.965 77 H THR 30 HN THR 30 -3.032 9.816 -4.695 78 HA THR 30 HA THR 30 -5.642 8.558 -5.122 79 HB THR 30 HB THR 30 -6.137 10.610 -6.435 80 HG1 THR 30 HG1 THR 30 -4.480 12.280 -6.440 81 HG21 THR 30 HG21 THR 30 -4.862 11.277 -3.747 82 HG22 THR 30 HG22 THR 30 -6.514 10.700 -3.985 83 HG23 THR 30 HG23 THR 30 -6.033 12.278 -4.612 84 H VAL 31 HN VAL 31 -6.354 8.537 -7.519 85 HA VAL 31 HA VAL 31 -4.957 6.586 -8.895 86 HB VAL 31 HB VAL 31 -7.282 6.840 -9.342 87 HG11 VAL 31 HG11 VAL 31 -8.311 8.800 -10.440 88 HG12 VAL 31 HG12 VAL 31 -6.755 9.633 -10.417 89 HG13 VAL 31 HG13 VAL 31 -7.559 9.227 -8.898 90 HG21 VAL 31 HG21 VAL 31 -7.433 6.861 -11.804 91 HG22 VAL 31 HG22 VAL 31 -6.002 5.979 -11.276 92 HG23 VAL 31 HG23 VAL 31 -5.839 7.615 -11.911 93 H GLU 32 HN GLU 32 -4.810 10.075 -9.372 94 HA GLU 32 HA GLU 32 -3.165 10.051 -11.719 95 HB2 GLU 32 HB2 GLU 32 -3.024 12.512 -11.360 96 HB3 GLU 32 HB1 GLU 32 -4.676 11.905 -11.341 97 HG2 GLU 32 HG2 GLU 32 -4.600 11.954 -8.838 98 HG3 GLU 32 HG1 GLU 32 -3.011 12.711 -8.945 99 H GLN 33 HN GLN 33 -2.488 10.441 -8.210 100 HA GLN 33 HA GLN 33 0.261 11.068 -8.376 101 HB2 GLN 33 HB2 GLN 33 -1.262 9.581 -6.198 102 HB3 GLN 33 HB1 GLN 33 0.422 10.070 -6.038 103 HG2 GLN 33 HG2 GLN 33 -0.303 12.450 -6.332 104 HG3 GLN 33 HG1 GLN 33 -1.974 11.890 -6.348 105 HE21 GLN 33 HE21 GLN 33 0.887 12.329 -4.369 106 HE22 GLN 33 HE22 GLN 33 0.093 12.154 -2.845 107 H LEU 34 HN LEU 34 -1.464 8.014 -8.434 108 HA LEU 34 HA LEU 34 0.717 6.209 -8.306 109 HB2 LEU 34 HB2 LEU 34 -1.937 5.874 -9.745 110 HB3 LEU 34 HB1 LEU 34 -0.841 4.570 -9.309 111 HG LEU 34 HG LEU 34 -2.221 6.340 -7.263 112 HD11 LEU 34 HD11 LEU 34 -3.871 4.619 -6.979 113 HD12 LEU 34 HD12 LEU 34 -3.102 3.599 -8.193 114 HD13 LEU 34 HD13 LEU 34 -3.865 5.119 -8.670 115 HD21 LEU 34 HD21 LEU 34 -1.638 4.550 -5.670 116 HD22 LEU 34 HD22 LEU 34 -0.195 5.236 -6.414 117 HD23 LEU 34 HD23 LEU 34 -0.800 3.666 -6.953 118 H ARG 35 HN ARG 35 -0.934 7.816 -11.015 119 HA ARG 35 HA ARG 35 0.488 6.504 -13.120 120 HB2 ARG 35 HB2 ARG 35 -1.116 9.095 -13.134 121 HB3 ARG 35 HB1 ARG 35 -0.486 8.310 -14.582 122 HG2 ARG 35 HG2 ARG 35 -1.862 6.256 -13.874 123 HG3 ARG 35 HG1 ARG 35 -2.654 7.320 -12.710 124 HD2 ARG 35 HD2 ARG 35 -3.992 7.139 -14.752 125 HD3 ARG 35 HD1 ARG 35 -3.383 8.791 -14.571 126 HE ARG 35 HE ARG 35 -1.494 7.700 -16.134 127 HH11 ARG 35 HH11 ARG 35 -4.975 7.499 -16.486 128 HH12 ARG 35 HH12 ARG 35 -4.908 7.478 -18.217 129 HH21 ARG 35 HH21 ARG 35 -1.425 7.660 -18.380 130 HH22 ARG 35 HH22 ARG 35 -2.898 7.578 -19.290 131 H SER 36 HN SER 36 1.092 9.374 -11.199 132 HA SER 36 HA SER 36 3.023 10.637 -12.850 133 HB2 SER 36 HB2 SER 36 1.855 11.814 -11.003 134 HB3 SER 36 HB1 SER 36 2.695 10.809 -9.824 135 HG SER 36 HG SER 36 3.518 13.068 -10.955 136 H GLU 37 HN GLU 37 4.947 9.821 -13.422 137 HA GLU 37 HA GLU 37 6.106 7.532 -12.136 138 HB2 GLU 37 HB2 GLU 37 7.196 9.267 -14.387 139 HB3 GLU 37 HB1 GLU 37 7.831 7.691 -13.910 140 HG2 GLU 37 HG2 GLU 37 5.682 6.640 -14.516 141 HG3 GLU 37 HG1 GLU 37 5.042 8.211 -14.998 142 H GLN 38 HN GLN 38 6.473 10.916 -11.610 143 HA GLN 38 HA GLN 38 8.954 11.138 -10.316 144 HB2 GLN 38 HB2 GLN 38 6.246 12.352 -9.584 145 HB3 GLN 38 HB1 GLN 38 7.766 12.861 -8.857 146 HG2 GLN 38 HG2 GLN 38 7.230 13.022 -11.840 147 HG3 GLN 38 HG1 GLN 38 6.862 14.333 -10.720 148 HE21 GLN 38 HE21 GLN 38 8.794 14.179 -12.994 149 HE22 GLN 38 HE22 GLN 38 10.316 14.637 -12.324 150 H LEU 39 HN LEU 39 5.887 9.817 -9.202 151 HA LEU 39 HA LEU 39 6.835 8.805 -6.666 152 HB2 LEU 39 HB2 LEU 39 4.422 9.483 -7.451 153 HB3 LEU 39 HB1 LEU 39 4.370 7.895 -8.193 154 HG LEU 39 HG LEU 39 4.819 8.330 -5.212 155 HD11 LEU 39 HD11 LEU 39 2.671 9.288 -5.824 156 HD12 LEU 39 HD12 LEU 39 2.448 7.813 -4.892 157 HD13 LEU 39 HD13 LEU 39 2.200 7.792 -6.640 158 HD21 LEU 39 HD21 LEU 39 3.968 5.828 -6.714 159 HD22 LEU 39 HD22 LEU 39 4.106 5.996 -4.957 160 HD23 LEU 39 HD23 LEU 39 5.542 6.117 -5.966 161 HA PRO 40 HA PRO 40 8.927 5.209 -8.635 162 HB2 PRO 40 HB2 PRO 40 8.641 4.033 -5.872 163 HB3 PRO 40 HB1 PRO 40 10.083 4.177 -6.890 164 HG2 PRO 40 HG2 PRO 40 9.761 5.813 -4.825 165 HG3 PRO 40 HG1 PRO 40 10.376 6.454 -6.365 166 HD2 PRO 40 HD2 PRO 40 7.578 6.620 -5.223 167 HD3 PRO 40 HD1 PRO 40 8.552 7.892 -6.004 168 H LYS 41 HN LYS 41 8.617 2.833 -8.819 169 HA LYS 41 HA LYS 41 5.804 2.022 -8.860 170 HB2 LYS 41 HB2 LYS 41 8.329 0.826 -10.095 171 HB3 LYS 41 HB1 LYS 41 6.790 -0.037 -10.083 172 HG2 LYS 41 HG2 LYS 41 5.742 1.844 -11.314 173 HG3 LYS 41 HG1 LYS 41 7.306 2.658 -11.385 174 HD2 LYS 41 HD2 LYS 41 6.806 -0.102 -12.558 175 HD3 LYS 41 HD1 LYS 41 6.586 1.392 -13.476 176 HE2 LYS 41 HE2 LYS 41 8.953 1.962 -13.122 177 HE3 LYS 41 HE1 LYS 41 9.173 0.487 -12.173 178 HZ1 LYS 41 HZ1 LYS 41 9.932 0.225 -14.429 179 HZ2 LYS 41 HZ2 LYS 41 8.393 0.594 -15.030 180 HZ3 LYS 41 HZ3 LYS 41 8.633 -0.807 -14.114 181 H LYS 42 HN LYS 42 8.775 1.387 -7.185 182 HA LYS 42 HA LYS 42 8.285 -1.213 -6.218 183 HB2 LYS 42 HB2 LYS 42 10.184 -0.717 -4.654 184 HB3 LYS 42 HB1 LYS 42 10.535 -0.309 -6.331 185 HG2 LYS 42 HG2 LYS 42 10.011 2.094 -5.804 186 HG3 LYS 42 HG1 LYS 42 9.823 1.642 -4.108 187 HD2 LYS 42 HD2 LYS 42 12.369 1.379 -5.764 188 HD3 LYS 42 HD1 LYS 42 12.043 2.632 -4.563 189 HE2 LYS 42 HE2 LYS 42 11.891 0.857 -2.814 190 HE3 LYS 42 HE1 LYS 42 12.319 -0.343 -4.040 191 HZ1 LYS 42 HZ1 LYS 42 14.227 0.356 -2.733 192 HZ2 LYS 42 HZ2 LYS 42 14.013 1.957 -3.229 193 HZ3 LYS 42 HZ3 LYS 42 14.422 0.770 -4.356 194 H ASP 43 HN ASP 43 7.590 1.970 -4.815 195 HA ASP 43 HA ASP 43 6.925 0.998 -2.199 196 HB2 ASP 43 HB2 ASP 43 6.061 3.339 -1.798 197 HB3 ASP 43 HB1 ASP 43 7.737 3.253 -2.303 198 H ILE 44 HN ILE 44 5.041 1.687 -5.101 199 HA ILE 44 HA ILE 44 2.454 1.432 -3.882 200 HB ILE 44 HB ILE 44 3.134 0.840 -6.813 201 HG12 ILE 44 HG12 ILE 44 2.385 3.522 -5.548 202 HG13 ILE 44 HG11 ILE 44 3.966 3.098 -6.196 203 HG21 ILE 44 HG21 ILE 44 0.772 1.425 -7.251 204 HG22 ILE 44 HG22 ILE 44 0.502 1.675 -5.526 205 HG23 ILE 44 HG23 ILE 44 0.895 0.065 -6.132 206 HD11 ILE 44 HD11 ILE 44 1.405 3.394 -7.769 207 HD12 ILE 44 HD12 ILE 44 2.964 2.914 -8.445 208 HD13 ILE 44 HD13 ILE 44 2.765 4.516 -7.735 209 H ILE 45 HN ILE 45 4.521 -0.864 -5.686 210 HA ILE 45 HA ILE 45 2.896 -3.166 -5.465 211 HB ILE 45 HB ILE 45 5.937 -2.971 -5.658 212 HG12 ILE 45 HG12 ILE 45 3.883 -3.353 -7.876 213 HG13 ILE 45 HG11 ILE 45 4.638 -1.815 -7.481 214 HG21 ILE 45 HG21 ILE 45 5.898 -5.269 -6.586 215 HG22 ILE 45 HG22 ILE 45 4.163 -5.367 -6.285 216 HG23 ILE 45 HG23 ILE 45 5.285 -5.239 -4.930 217 HD11 ILE 45 HD11 ILE 45 5.650 -2.840 -9.425 218 HD12 ILE 45 HD12 ILE 45 6.067 -4.267 -8.480 219 HD13 ILE 45 HD13 ILE 45 6.814 -2.714 -8.104 220 H LYS 46 HN LYS 46 5.401 -1.851 -3.349 221 HA LYS 46 HA LYS 46 5.558 -3.909 -1.433 222 HB2 LYS 46 HB2 LYS 46 7.244 -2.112 -1.618 223 HB3 LYS 46 HB1 LYS 46 6.045 -0.920 -1.114 224 HG2 LYS 46 HG2 LYS 46 5.888 -2.079 1.099 225 HG3 LYS 46 HG1 LYS 46 7.169 -3.184 0.577 226 HD2 LYS 46 HD2 LYS 46 8.729 -1.290 0.358 227 HD3 LYS 46 HD1 LYS 46 7.444 -0.161 0.804 228 HE2 LYS 46 HE2 LYS 46 7.285 -1.338 3.032 229 HE3 LYS 46 HE1 LYS 46 8.701 -2.294 2.571 230 HZ1 LYS 46 HZ1 LYS 46 9.272 -0.375 3.934 231 HZ2 LYS 46 HZ2 LYS 46 8.613 0.668 2.778 232 HZ3 LYS 46 HZ3 LYS 46 9.972 -0.261 2.399 233 H PHE 47 HN PHE 47 3.590 -0.968 -1.592 234 HA PHE 47 HA PHE 47 2.191 -1.096 0.840 235 HB2 PHE 47 HB2 PHE 47 2.273 0.835 -0.842 236 HB3 PHE 47 HB1 PHE 47 1.141 -0.054 -1.842 237 HD1 PHE 47 HD1 PHE 47 -0.230 -0.816 1.145 238 HD2 PHE 47 HD2 PHE 47 0.525 2.649 -1.194 239 HE1 PHE 47 HE1 PHE 47 -2.069 0.343 2.285 240 HE2 PHE 47 HE2 PHE 47 -1.322 3.824 -0.050 241 HZ PHE 47 HZ PHE 47 -2.624 2.662 1.684 242 H LEU 48 HN LEU 48 1.344 -2.312 -2.371 243 HA LEU 48 HA LEU 48 -1.173 -3.416 -1.701 244 HB2 LEU 48 HB2 LEU 48 0.649 -3.886 -4.082 245 HB3 LEU 48 HB1 LEU 48 -1.009 -4.477 -3.982 246 HG LEU 48 HG LEU 48 -0.192 -1.538 -3.911 247 HD11 LEU 48 HD11 LEU 48 -1.469 -3.104 -6.182 248 HD12 LEU 48 HD12 LEU 48 0.182 -2.479 -6.138 249 HD13 LEU 48 HD13 LEU 48 -1.178 -1.359 -6.156 250 HD21 LEU 48 HD21 LEU 48 -2.226 -1.956 -2.616 251 HD22 LEU 48 HD22 LEU 48 -2.961 -2.783 -3.993 252 HD23 LEU 48 HD23 LEU 48 -2.587 -1.062 -4.092 253 H GLN 49 HN GLN 49 2.080 -4.851 -1.703 254 HA GLN 49 HA GLN 49 1.009 -7.541 -1.315 255 HB2 GLN 49 HB2 GLN 49 3.262 -8.363 -1.337 256 HB3 GLN 49 HB1 GLN 49 3.097 -7.190 -2.640 257 HG2 GLN 49 HG2 GLN 49 4.283 -5.521 -1.322 258 HG3 GLN 49 HG1 GLN 49 4.370 -6.630 0.046 259 HE21 GLN 49 HE21 GLN 49 4.915 -7.505 -3.364 260 HE22 GLN 49 HE22 GLN 49 6.583 -7.899 -3.167 261 H GLU 50 HN GLU 50 2.160 -4.933 0.655 262 HA GLU 50 HA GLU 50 2.565 -6.430 3.074 263 HB2 GLU 50 HB2 GLU 50 3.727 -4.319 2.716 264 HB3 GLU 50 HB1 GLU 50 2.204 -3.456 2.529 265 HG2 GLU 50 HG2 GLU 50 1.676 -3.816 4.892 266 HG3 GLU 50 HG1 GLU 50 3.145 -4.774 5.097 267 H HIS 51 HN HIS 51 -0.136 -4.709 1.619 268 HA HIS 51 HA HIS 51 -1.802 -5.105 4.037 269 HB2 HIS 51 HB2 HIS 51 -1.959 -3.042 1.814 270 HB3 HIS 51 HB1 HIS 51 -3.248 -3.278 2.995 271 HD1 HIS 51 HD1 HIS 51 0.139 -1.787 2.605 272 HD2 HIS 51 HD2 HIS 51 -2.592 -2.516 5.653 273 HE1 HIS 51 HE1 HIS 51 0.908 -0.402 4.552 274 HE2 HIS 51 HE2 HIS 51 -0.720 -0.902 6.399 275 H GLY 52 HN GLY 52 -1.773 -5.585 0.508 276 HA2 GLY 52 HA2 GLY 52 -4.381 -6.661 0.256 277 HA3 GLY 52 HA1 GLY 52 -3.040 -6.920 -0.853 278 H SER 53 HN SER 53 -4.733 -8.970 -0.536 279 HA SER 53 HA SER 53 -3.573 -10.904 1.365 280 HB2 SER 53 HB2 SER 53 -5.434 -12.375 0.541 281 HB3 SER 53 HB1 SER 53 -6.023 -10.841 1.183 282 HG SER 53 HG SER 53 -6.958 -10.622 -0.665 283 H ASP 54 HN ASP 54 -2.996 -13.097 0.496 284 HA ASP 54 HA ASP 54 -0.942 -12.860 -1.442 285 HB2 ASP 54 HB2 ASP 54 -0.668 -15.328 -1.189 286 HB3 ASP 54 HB1 ASP 54 -0.737 -14.490 0.354 287 H SER 55 HN SER 55 -4.251 -14.038 -1.668 288 HA SER 55 HA SER 55 -4.138 -15.174 -4.277 289 HB2 SER 55 HB2 SER 55 -5.959 -15.646 -2.597 290 HB3 SER 55 HB1 SER 55 -6.569 -14.009 -2.842 291 HG SER 55 HG SER 55 -6.498 -14.866 -5.221 292 H PHE 56 HN PHE 56 -4.984 -11.936 -3.066 293 HA PHE 56 HA PHE 56 -5.594 -10.606 -5.471 294 HB2 PHE 56 HB2 PHE 56 -6.122 -9.503 -3.409 295 HB3 PHE 56 HB1 PHE 56 -4.494 -9.693 -2.782 296 HD1 PHE 56 HD1 PHE 56 -6.442 -7.877 -5.431 297 HD2 PHE 56 HD2 PHE 56 -2.964 -7.908 -2.946 298 HE1 PHE 56 HE1 PHE 56 -5.878 -5.598 -6.168 299 HE2 PHE 56 HE2 PHE 56 -2.405 -5.638 -3.698 300 HZ PHE 56 HZ PHE 56 -3.860 -4.480 -5.311 301 H LEU 57 HN LEU 57 -2.513 -11.388 -3.920 302 HA LEU 57 HA LEU 57 -0.875 -9.774 -5.649 303 HB2 LEU 57 HB2 LEU 57 -0.039 -12.070 -3.851 304 HB3 LEU 57 HB1 LEU 57 1.029 -10.881 -4.589 305 HG LEU 57 HG LEU 57 -0.990 -10.421 -2.379 306 HD11 LEU 57 HD11 LEU 57 2.021 -10.126 -2.450 307 HD12 LEU 57 HD12 LEU 57 1.116 -11.431 -1.680 308 HD13 LEU 57 HD13 LEU 57 0.973 -9.785 -1.067 309 HD21 LEU 57 HD21 LEU 57 -0.386 -8.058 -2.396 310 HD22 LEU 57 HD22 LEU 57 -1.092 -8.514 -3.938 311 HD23 LEU 57 HD23 LEU 57 0.657 -8.298 -3.799 312 H ALA 58 HN ALA 58 -1.785 -13.219 -5.577 313 HA ALA 58 HA ALA 58 0.041 -14.129 -7.549 314 HB1 ALA 58 HB1 ALA 58 -2.619 -15.323 -6.689 315 HB2 ALA 58 HB2 ALA 58 -1.052 -15.660 -5.953 316 HB3 ALA 58 HB3 ALA 58 -1.366 -16.162 -7.617 317 H GLU 59 HN GLU 59 -3.374 -13.187 -7.675 318 HA GLU 59 HA GLU 59 -3.795 -13.543 -10.452 319 HB2 GLU 59 HB2 GLU 59 -5.284 -11.852 -8.387 320 HB3 GLU 59 HB1 GLU 59 -5.875 -12.152 -10.026 321 HG2 GLU 59 HG2 GLU 59 -6.066 -14.529 -9.597 322 HG3 GLU 59 HG1 GLU 59 -5.264 -14.362 -8.035 323 H HIS 60 HN HIS 60 -2.338 -10.884 -8.660 324 HA HIS 60 HA HIS 60 -2.266 -9.226 -11.137 325 HB2 HIS 60 HB2 HIS 60 -2.219 -8.248 -8.242 326 HB3 HIS 60 HB1 HIS 60 -2.142 -7.231 -9.682 327 HD1 HIS 60 HD1 HIS 60 -4.460 -7.914 -7.277 328 HD2 HIS 60 HD2 HIS 60 -4.626 -8.223 -11.408 329 HE1 HIS 60 HE1 HIS 60 -6.907 -7.879 -7.852 330 HE2 HIS 60 HE2 HIS 60 -6.976 -8.303 -10.328 331 H LYS 61 HN LYS 61 -0.337 -11.252 -9.557 332 HA LYS 61 HA LYS 61 1.890 -11.702 -9.580 333 HB2 LYS 61 HB2 LYS 61 1.954 -9.607 -11.794 334 HB3 LYS 61 HB1 LYS 61 3.223 -10.792 -11.478 335 HG2 LYS 61 HG2 LYS 61 0.380 -11.389 -12.380 336 HG3 LYS 61 HG1 LYS 61 1.848 -11.505 -13.361 337 HD2 LYS 61 HD2 LYS 61 2.687 -13.324 -11.906 338 HD3 LYS 61 HD1 LYS 61 1.249 -13.190 -10.888 339 HE2 LYS 61 HE2 LYS 61 1.051 -15.093 -12.413 340 HE3 LYS 61 HE1 LYS 61 -0.162 -13.872 -12.801 341 HZ1 LYS 61 HZ1 LYS 61 0.938 -14.781 -14.771 342 HZ2 LYS 61 HZ2 LYS 61 2.424 -14.196 -14.221 343 HZ3 LYS 61 HZ3 LYS 61 1.186 -13.120 -14.622 344 H LEU 62 HN LEU 62 0.994 -9.594 -7.732 345 HA LEU 62 HA LEU 62 3.139 -7.615 -7.576 346 HB2 LEU 62 HB2 LEU 62 0.709 -8.083 -5.819 347 HB3 LEU 62 HB1 LEU 62 1.830 -6.738 -5.628 348 HG LEU 62 HG LEU 62 0.153 -7.214 -8.126 349 HD11 LEU 62 HD11 LEU 62 -1.304 -6.765 -6.213 350 HD12 LEU 62 HD12 LEU 62 -1.305 -5.427 -7.356 351 HD13 LEU 62 HD13 LEU 62 -0.398 -5.292 -5.850 352 HD21 LEU 62 HD21 LEU 62 1.777 -4.774 -7.283 353 HD22 LEU 62 HD22 LEU 62 0.769 -4.905 -8.729 354 HD23 LEU 62 HD23 LEU 62 2.199 -5.917 -8.566 355 H LEU 63 HN LEU 63 2.659 -10.774 -6.394 356 HA LEU 63 HA LEU 63 4.193 -10.477 -3.953 357 HB2 LEU 63 HB2 LEU 63 4.111 -13.032 -3.918 358 HB3 LEU 63 HB1 LEU 63 2.596 -12.168 -3.771 359 HG LEU 63 HG LEU 63 2.157 -12.681 -6.231 360 HD11 LEU 63 HD11 LEU 63 4.399 -13.171 -7.014 361 HD12 LEU 63 HD12 LEU 63 3.340 -14.554 -7.281 362 HD13 LEU 63 HD13 LEU 63 4.499 -14.574 -5.947 363 HD21 LEU 63 HD21 LEU 63 1.398 -14.988 -5.791 364 HD22 LEU 63 HD22 LEU 63 1.045 -13.912 -4.443 365 HD23 LEU 63 HD23 LEU 63 2.398 -15.041 -4.333 366 H GLY 64 HN GLY 64 6.127 -11.874 -3.597 367 HA2 GLY 64 HA2 GLY 64 8.186 -12.776 -4.264 368 HA3 GLY 64 HA1 GLY 64 7.904 -12.218 -5.912 369 H ASN 65 HN ASN 65 10.115 -11.454 -5.791 370 HA ASN 65 HA ASN 65 10.935 -9.429 -3.960 371 HB2 ASN 65 HB2 ASN 65 12.551 -10.925 -5.100 372 HB3 ASN 65 HB1 ASN 65 12.112 -10.221 -6.655 373 HD21 ASN 65 HD21 ASN 65 13.622 -9.563 -3.547 374 HD22 ASN 65 HD22 ASN 65 14.541 -8.191 -4.064 375 H ILE 66 HN ILE 66 10.551 -7.295 -4.038 376 HA ILE 66 HA ILE 66 8.433 -6.284 -5.604 377 HB ILE 66 HB ILE 66 10.463 -4.703 -3.957 378 HG12 ILE 66 HG12 ILE 66 7.765 -5.824 -3.084 379 HG13 ILE 66 HG11 ILE 66 9.330 -6.504 -2.651 380 HG21 ILE 66 HG21 ILE 66 7.665 -3.875 -4.822 381 HG22 ILE 66 HG22 ILE 66 9.184 -3.210 -5.429 382 HG23 ILE 66 HG23 ILE 66 8.721 -2.961 -3.746 383 HD11 ILE 66 HD11 ILE 66 8.299 -3.784 -1.844 384 HD12 ILE 66 HD12 ILE 66 9.872 -4.460 -1.416 385 HD13 ILE 66 HD13 ILE 66 8.395 -5.220 -0.828 386 H LYS 67 HN LYS 67 11.916 -5.650 -5.710 387 HA LYS 67 HA LYS 67 12.093 -3.752 -7.758 388 HB2 LYS 67 HB2 LYS 67 13.989 -5.971 -6.888 389 HB3 LYS 67 HB1 LYS 67 14.465 -4.679 -7.983 390 HG2 LYS 67 HG2 LYS 67 14.435 -3.050 -6.293 391 HG3 LYS 67 HG1 LYS 67 13.355 -3.987 -5.263 392 HD2 LYS 67 HD2 LYS 67 15.751 -3.825 -4.453 393 HD3 LYS 67 HD1 LYS 67 15.105 -5.463 -4.586 394 HE2 LYS 67 HE2 LYS 67 16.309 -5.820 -6.663 395 HE3 LYS 67 HE1 LYS 67 16.874 -4.146 -6.676 396 HZ1 LYS 67 HZ1 LYS 67 17.553 -6.182 -4.625 397 HZ2 LYS 67 HZ2 LYS 67 18.103 -4.586 -4.656 398 HZ3 LYS 67 HZ3 LYS 67 18.567 -5.660 -5.873 399 H ASN 68 HN ASN 68 12.032 -7.285 -7.904 400 HA ASN 68 HA ASN 68 12.460 -7.509 -10.734 401 HB2 ASN 68 HB2 ASN 68 13.107 -9.287 -9.089 402 HB3 ASN 68 HB1 ASN 68 11.406 -9.595 -8.759 403 HD21 ASN 68 HD21 ASN 68 10.131 -10.585 -10.417 404 HD22 ASN 68 HD22 ASN 68 10.870 -11.474 -11.695 405 H VAL 69 HN VAL 69 9.600 -7.306 -8.655 406 HA VAL 69 HA VAL 69 7.662 -7.890 -10.701 407 HB VAL 69 HB VAL 69 7.269 -6.278 -8.132 408 HG11 VAL 69 HG11 VAL 69 5.451 -5.852 -9.748 409 HG12 VAL 69 HG12 VAL 69 4.851 -6.803 -8.390 410 HG13 VAL 69 HG13 VAL 69 5.184 -7.592 -9.934 411 HG21 VAL 69 HG21 VAL 69 8.064 -8.544 -7.609 412 HG22 VAL 69 HG22 VAL 69 6.799 -9.248 -8.619 413 HG23 VAL 69 HG23 VAL 69 6.372 -8.368 -7.148 414 H ALA 70 HN ALA 70 9.267 -4.991 -9.502 415 HA ALA 70 HA ALA 70 7.630 -3.061 -10.811 416 HB1 ALA 70 HB1 ALA 70 10.392 -2.717 -9.602 417 HB2 ALA 70 HB2 ALA 70 8.865 -2.565 -8.732 418 HB3 ALA 70 HB3 ALA 70 9.269 -1.417 -10.012 419 H LYS 71 HN LYS 71 10.020 -5.111 -12.097 420 HA LYS 71 HA LYS 71 10.902 -3.264 -14.198 421 HB2 LYS 71 HB2 LYS 71 12.439 -4.938 -14.866 422 HB3 LYS 71 HB1 LYS 71 12.365 -5.131 -13.118 423 HG2 LYS 71 HG2 LYS 71 10.728 -7.014 -13.474 424 HG3 LYS 71 HG1 LYS 71 10.995 -6.858 -15.212 425 HD2 LYS 71 HD2 LYS 71 13.413 -7.375 -14.843 426 HD3 LYS 71 HD1 LYS 71 13.083 -7.594 -13.122 427 HE2 LYS 71 HE2 LYS 71 11.499 -9.442 -13.712 428 HE3 LYS 71 HE1 LYS 71 11.966 -9.252 -15.408 429 HZ1 LYS 71 HZ1 LYS 71 13.208 -11.022 -14.413 430 HZ2 LYS 71 HZ2 LYS 71 13.742 -10.025 -13.159 431 HZ3 LYS 71 HZ3 LYS 71 14.266 -9.747 -14.741 432 H THR 72 HN THR 72 8.278 -5.425 -13.667 433 HA THR 72 HA THR 72 7.737 -5.792 -16.558 434 HB THR 72 HB THR 72 8.731 -7.857 -15.628 435 HG1 THR 72 HG1 THR 72 6.415 -7.712 -16.912 436 HG21 THR 72 HG21 THR 72 8.033 -7.604 -13.265 437 HG22 THR 72 HG22 THR 72 7.589 -9.184 -13.914 438 HG23 THR 72 HG23 THR 72 6.358 -7.932 -13.729 439 H ALA 73 HN ALA 73 6.548 -4.890 -13.493 440 HA ALA 73 HA ALA 73 3.726 -4.933 -14.369 441 HB1 ALA 73 HB1 ALA 73 4.901 -4.458 -11.592 442 HB2 ALA 73 HB2 ALA 73 4.124 -5.941 -12.148 443 HB3 ALA 73 HB3 ALA 73 3.180 -4.461 -12.003 444 H ASN 74 HN ASN 74 3.437 -3.138 -15.600 445 HA ASN 74 HA ASN 74 5.069 -0.793 -15.364 446 HB2 ASN 74 HB2 ASN 74 3.832 0.088 -17.261 447 HB3 ASN 74 HB1 ASN 74 4.189 -1.606 -17.565 448 HD21 ASN 74 HD21 ASN 74 2.036 0.315 -18.526 449 HD22 ASN 74 HD22 ASN 74 0.564 -0.566 -18.304 450 H LYS 75 HN LYS 75 3.784 1.443 -15.521 451 HA LYS 75 HA LYS 75 2.973 1.865 -12.845 452 HB2 LYS 75 HB2 LYS 75 4.080 3.499 -14.684 453 HB3 LYS 75 HB1 LYS 75 2.411 3.999 -14.908 454 HG2 LYS 75 HG2 LYS 75 3.514 5.470 -13.305 455 HG3 LYS 75 HG1 LYS 75 2.255 4.531 -12.488 456 HD2 LYS 75 HD2 LYS 75 4.058 2.901 -11.764 457 HD3 LYS 75 HD1 LYS 75 5.254 4.011 -12.430 458 HE2 LYS 75 HE2 LYS 75 3.336 4.594 -10.156 459 HE3 LYS 75 HE1 LYS 75 5.063 4.257 -10.007 460 HZ1 LYS 75 HZ1 LYS 75 5.524 6.257 -11.238 461 HZ2 LYS 75 HZ2 LYS 75 4.572 6.614 -9.889 462 HZ3 LYS 75 HZ3 LYS 75 3.874 6.570 -11.429 463 H ASP 76 HN ASP 76 1.164 1.616 -15.868 464 HA ASP 76 HA ASP 76 -1.396 2.394 -14.935 465 HB2 ASP 76 HB2 ASP 76 -0.714 0.495 -17.223 466 HB3 ASP 76 HB1 ASP 76 -2.290 1.231 -16.951 467 H HIS 77 HN HIS 77 0.279 -0.732 -14.954 468 HA HIS 77 HA HIS 77 -1.802 -2.466 -14.173 469 HB2 HIS 77 HB2 HIS 77 0.326 -3.324 -14.986 470 HB3 HIS 77 HB1 HIS 77 1.207 -2.538 -13.690 471 HD1 HIS 77 HD1 HIS 77 -0.421 -5.681 -14.603 472 HD2 HIS 77 HD2 HIS 77 0.877 -3.859 -11.101 473 HE1 HIS 77 HE1 HIS 77 -0.152 -7.534 -12.939 474 HE2 HIS 77 HE2 HIS 77 0.797 -6.434 -10.890 475 H LEU 78 HN LEU 78 0.434 -0.449 -12.328 476 HA LEU 78 HA LEU 78 -0.180 -1.451 -9.740 477 HB2 LEU 78 HB2 LEU 78 1.042 1.238 -10.464 478 HB3 LEU 78 HB1 LEU 78 1.127 0.437 -8.897 479 HG LEU 78 HG LEU 78 2.477 -0.417 -11.480 480 HD11 LEU 78 HD11 LEU 78 3.627 0.412 -8.811 481 HD12 LEU 78 HD12 LEU 78 3.584 1.379 -10.290 482 HD13 LEU 78 HD13 LEU 78 4.544 -0.097 -10.235 483 HD21 LEU 78 HD21 LEU 78 1.659 -2.447 -10.397 484 HD22 LEU 78 HD22 LEU 78 2.403 -1.967 -8.871 485 HD23 LEU 78 HD23 LEU 78 3.415 -2.343 -10.267 486 H VAL 79 HN VAL 79 -1.367 1.281 -11.618 487 HA VAL 79 HA VAL 79 -3.033 2.519 -9.703 488 HB VAL 79 HB VAL 79 -3.480 2.393 -12.729 489 HG11 VAL 79 HG11 VAL 79 -4.692 4.545 -12.422 490 HG12 VAL 79 HG12 VAL 79 -4.453 4.419 -10.677 491 HG13 VAL 79 HG13 VAL 79 -5.445 3.228 -11.517 492 HG21 VAL 79 HG21 VAL 79 -1.186 3.203 -12.195 493 HG22 VAL 79 HG22 VAL 79 -1.878 4.457 -11.174 494 HG23 VAL 79 HG23 VAL 79 -2.180 4.474 -12.908 495 H THR 80 HN THR 80 -3.671 0.095 -12.191 496 HA THR 80 HA THR 80 -6.409 -0.338 -11.787 497 HB THR 80 HB THR 80 -4.288 -2.243 -12.887 498 HG1 THR 80 HG1 THR 80 -6.045 -0.617 -14.396 499 HG21 THR 80 HG21 THR 80 -6.429 -3.443 -12.418 500 HG22 THR 80 HG22 THR 80 -6.101 -3.327 -14.146 501 HG23 THR 80 HG23 THR 80 -7.292 -2.260 -13.401 502 H ALA 81 HN ALA 81 -3.593 -2.066 -10.395 503 HA ALA 81 HA ALA 81 -5.076 -4.071 -9.017 504 HB1 ALA 81 HB1 ALA 81 -2.933 -4.606 -7.930 505 HB2 ALA 81 HB2 ALA 81 -2.237 -3.098 -8.534 506 HB3 ALA 81 HB3 ALA 81 -2.712 -4.367 -9.665 507 H TYR 82 HN TYR 82 -3.633 -0.988 -8.044 508 HA TYR 82 HA TYR 82 -4.037 -1.051 -5.271 509 HB2 TYR 82 HB2 TYR 82 -2.565 0.537 -6.446 510 HB3 TYR 82 HB1 TYR 82 -3.949 1.305 -7.194 511 HD1 TYR 82 HD2 TYR 82 -2.291 0.742 -3.861 512 HD2 TYR 82 HD1 TYR 82 -4.993 3.150 -6.133 513 HE1 TYR 82 HE2 TYR 82 -2.258 2.491 -2.112 514 HE2 TYR 82 HE1 TYR 82 -4.901 4.884 -4.410 515 HH TYR 82 HH TYR 82 -4.260 5.302 -2.235 516 H ASN 83 HN ASN 83 -6.035 0.455 -7.808 517 HA ASN 83 HA ASN 83 -8.076 1.390 -6.072 518 HB2 ASN 83 HB2 ASN 83 -8.038 0.978 -9.091 519 HB3 ASN 83 HB1 ASN 83 -9.370 1.755 -8.240 520 HD21 ASN 83 HD21 ASN 83 -7.601 2.879 -10.256 521 HD22 ASN 83 HD22 ASN 83 -6.840 4.247 -9.535 522 H HIS 84 HN HIS 84 -7.716 -1.640 -7.881 523 HA HIS 84 HA HIS 84 -10.355 -2.642 -7.336 524 HB2 HIS 84 HB2 HIS 84 -7.831 -3.977 -8.366 525 HB3 HIS 84 HB1 HIS 84 -9.285 -4.913 -8.024 526 HD1 HIS 84 HD1 HIS 84 -7.782 -3.984 -10.864 527 HD2 HIS 84 HD2 HIS 84 -11.511 -2.965 -9.370 528 HE1 HIS 84 HE1 HIS 84 -9.169 -3.403 -12.867 529 HE2 HIS 84 HE2 HIS 84 -11.466 -2.973 -11.951 530 H LEU 85 HN LEU 85 -7.343 -2.689 -5.516 531 HA LEU 85 HA LEU 85 -7.776 -4.830 -3.763 532 HB2 LEU 85 HB2 LEU 85 -5.669 -3.486 -3.875 533 HB3 LEU 85 HB1 LEU 85 -6.495 -2.128 -3.164 534 HG LEU 85 HG LEU 85 -6.797 -3.352 -1.061 535 HD11 LEU 85 HD11 LEU 85 -5.309 -5.635 -2.367 536 HD12 LEU 85 HD12 LEU 85 -7.005 -5.617 -1.874 537 HD13 LEU 85 HD13 LEU 85 -5.738 -5.527 -0.657 538 HD21 LEU 85 HD21 LEU 85 -4.761 -1.992 -1.331 539 HD22 LEU 85 HD22 LEU 85 -3.896 -3.409 -1.931 540 HD23 LEU 85 HD23 LEU 85 -4.489 -3.375 -0.270 541 H PHE 86 HN PHE 86 -8.614 -1.439 -3.411 542 HA PHE 86 HA PHE 86 -10.052 -1.692 -0.950 543 HB2 PHE 86 HB2 PHE 86 -10.070 0.660 -2.877 544 HB3 PHE 86 HB1 PHE 86 -10.404 0.696 -1.144 545 HD1 PHE 86 HD2 PHE 86 -8.376 -0.115 0.419 546 HD2 PHE 86 HD1 PHE 86 -7.908 1.175 -3.620 547 HE1 PHE 86 HE2 PHE 86 -5.978 0.335 0.809 548 HE2 PHE 86 HE1 PHE 86 -5.539 1.621 -3.192 549 HZ PHE 86 HZ PHE 86 -4.570 1.184 -0.993 550 H GLU 87 HN GLU 87 -10.887 -1.691 -4.345 551 HA GLU 87 HA GLU 87 -13.607 -1.008 -4.265 552 HB2 GLU 87 HB2 GLU 87 -12.263 -1.056 -6.346 553 HB3 GLU 87 HB1 GLU 87 -12.120 -2.808 -6.234 554 HG2 GLU 87 HG2 GLU 87 -14.612 -2.972 -6.491 555 HG3 GLU 87 HG1 GLU 87 -14.663 -1.226 -6.722 556 H THR 88 HN THR 88 -12.019 -4.179 -4.090 557 HA THR 88 HA THR 88 -14.607 -5.517 -3.562 558 HB THR 88 HB THR 88 -13.364 -7.609 -4.303 559 HG1 THR 88 HG1 THR 88 -11.436 -5.856 -5.419 560 HG21 THR 88 HG21 THR 88 -13.454 -7.100 -6.721 561 HG22 THR 88 HG22 THR 88 -13.491 -5.373 -6.361 562 HG23 THR 88 HG23 THR 88 -14.845 -6.400 -5.884 563 H LYS 89 HN LYS 89 -12.150 -4.237 -1.855 564 HA LYS 89 HA LYS 89 -11.404 -4.382 0.282 565 HB2 LYS 89 HB2 LYS 89 -13.869 -6.142 0.670 566 HB3 LYS 89 HB1 LYS 89 -12.958 -5.379 1.971 567 HG2 LYS 89 HG2 LYS 89 -14.373 -3.828 -0.225 568 HG3 LYS 89 HG1 LYS 89 -15.138 -4.246 1.311 569 HD2 LYS 89 HD2 LYS 89 -12.605 -2.570 1.022 570 HD3 LYS 89 HD1 LYS 89 -14.232 -1.912 1.225 571 HE2 LYS 89 HE2 LYS 89 -12.804 -3.695 3.238 572 HE3 LYS 89 HE1 LYS 89 -12.945 -1.943 3.350 573 HZ1 LYS 89 HZ1 LYS 89 -14.584 -3.088 4.713 574 HZ2 LYS 89 HZ2 LYS 89 -15.232 -3.830 3.341 575 HZ3 LYS 89 HZ3 LYS 89 -15.322 -2.154 3.514 576 H ARG 90 HN ARG 90 -10.182 -6.172 -1.526 577 HA ARG 90 HA ARG 90 -10.177 -8.904 -0.755 578 HB2 ARG 90 HB2 ARG 90 -8.346 -7.246 -2.514 579 HB3 ARG 90 HB1 ARG 90 -7.992 -8.939 -2.193 580 HG2 ARG 90 HG2 ARG 90 -10.199 -9.569 -3.141 581 HG3 ARG 90 HG1 ARG 90 -10.495 -7.873 -3.524 582 HD2 ARG 90 HD2 ARG 90 -8.710 -7.821 -5.117 583 HD3 ARG 90 HD1 ARG 90 -8.071 -9.372 -4.561 584 HE ARG 90 HE ARG 90 -10.607 -9.019 -6.065 585 HH11 ARG 90 HH11 ARG 90 -7.851 -11.012 -5.181 586 HH12 ARG 90 HH12 ARG 90 -8.250 -12.272 -6.296 587 HH21 ARG 90 HH21 ARG 90 -11.087 -10.686 -7.568 588 HH22 ARG 90 HH22 ARG 90 -10.057 -12.080 -7.668 589 H PHE 91 HN PHE 91 -8.455 -6.229 0.532 590 HA PHE 91 HA PHE 91 -6.012 -7.369 1.237 591 HB2 PHE 91 HB2 PHE 91 -6.002 -5.439 3.018 592 HB3 PHE 91 HB1 PHE 91 -5.969 -5.063 1.308 593 HD1 PHE 91 HD2 PHE 91 -8.310 -5.310 4.222 594 HD2 PHE 91 HD1 PHE 91 -7.573 -3.655 0.371 595 HE1 PHE 91 HE2 PHE 91 -10.247 -3.818 4.478 596 HE2 PHE 91 HE1 PHE 91 -9.512 -2.179 0.628 597 HZ PHE 91 HZ PHE 91 -10.846 -2.258 2.681 598 H LYS 92 HN LYS 92 -5.147 -7.569 3.426 599 HA LYS 92 HA LYS 92 -5.910 -9.994 4.455 600 HB2 LYS 92 HB2 LYS 92 -4.180 -9.559 6.203 601 HB3 LYS 92 HB1 LYS 92 -3.644 -9.146 4.576 602 HG2 LYS 92 HG2 LYS 92 -4.379 -6.706 5.220 603 HG3 LYS 92 HG1 LYS 92 -4.305 -7.296 6.882 604 HD2 LYS 92 HD2 LYS 92 -2.027 -7.274 4.858 605 HD3 LYS 92 HD1 LYS 92 -2.217 -6.163 6.216 606 HE2 LYS 92 HE2 LYS 92 -1.938 -8.048 7.791 607 HE3 LYS 92 HE1 LYS 92 -1.762 -9.158 6.429 608 HZ1 LYS 92 HZ1 LYS 92 0.038 -6.909 7.118 609 HZ2 LYS 92 HZ2 LYS 92 0.193 -7.876 5.741 610 HZ3 LYS 92 HZ3 LYS 92 0.376 -8.558 7.278 Start of MODEL 20 1 H MET 20 H MET 20 -12.732 -4.365 19.594 2 HA MET 20 HA MET 20 -10.772 -4.689 18.330 3 HB2 MET 20 HB2 MET 20 -10.864 -5.659 16.030 4 HB3 MET 20 HB1 MET 20 -11.345 -6.821 17.254 5 HG2 MET 20 HG2 MET 20 -12.823 -7.120 15.420 6 HG3 MET 20 HG1 MET 20 -13.753 -6.291 16.670 7 HE1 MET 20 HE1 MET 20 -15.291 -4.814 13.373 8 HE2 MET 20 HE2 MET 20 -15.627 -5.668 14.882 9 HE3 MET 20 HE3 MET 20 -14.720 -6.466 13.598 10 H ALA 21 HN ALA 21 -10.310 -3.506 16.140 11 HA ALA 21 HA ALA 21 -12.355 -1.633 15.249 12 HB1 ALA 21 HB1 ALA 21 -10.949 0.365 15.618 13 HB2 ALA 21 HB2 ALA 21 -9.740 -0.612 16.456 14 HB3 ALA 21 HB3 ALA 21 -11.350 -0.407 17.152 15 H ALA 22 HN ALA 22 -12.204 -2.649 13.276 16 HA ALA 22 HA ALA 22 -9.734 -3.357 12.004 17 HB1 ALA 22 HB1 ALA 22 -11.140 -4.032 10.092 18 HB2 ALA 22 HB2 ALA 22 -12.540 -3.249 10.830 19 HB3 ALA 22 HB3 ALA 22 -11.800 -4.639 11.617 20 H ALA 23 HN ALA 23 -8.606 -1.373 12.025 21 HA ALA 23 HA ALA 23 -9.486 0.870 10.372 22 HB1 ALA 23 HB1 ALA 23 -7.424 1.969 11.179 23 HB2 ALA 23 HB2 ALA 23 -6.925 0.475 11.980 24 HB3 ALA 23 HB3 ALA 23 -8.365 1.334 12.533 25 H VAL 24 HN VAL 24 -9.534 -0.213 8.355 26 HA VAL 24 HA VAL 24 -7.365 -1.721 7.299 27 HB VAL 24 HB VAL 24 -8.597 -1.763 5.189 28 HG11 VAL 24 HG11 VAL 24 -10.457 -2.080 7.574 29 HG12 VAL 24 HG12 VAL 24 -9.341 -3.296 6.940 30 HG13 VAL 24 HG13 VAL 24 -10.721 -2.772 5.972 31 HG21 VAL 24 HG21 VAL 24 -10.472 0.339 6.364 32 HG22 VAL 24 HG22 VAL 24 -10.725 -0.514 4.839 33 HG23 VAL 24 HG23 VAL 24 -9.351 0.574 5.018 34 HA PRO 25 HA PRO 25 -4.635 1.634 6.044 35 HB2 PRO 25 HB2 PRO 25 -3.733 -0.259 3.890 36 HB3 PRO 25 HB1 PRO 25 -2.781 0.626 5.092 37 HG2 PRO 25 HG2 PRO 25 -3.212 -1.976 5.389 38 HG3 PRO 25 HG1 PRO 25 -3.277 -0.897 6.797 39 HD2 PRO 25 HD2 PRO 25 -5.570 -2.085 5.217 40 HD3 PRO 25 HD1 PRO 25 -5.383 -1.924 6.979 41 H GLN 26 HN GLN 26 -5.927 3.140 5.211 42 HA GLN 26 HA GLN 26 -7.427 3.054 2.815 43 HB2 GLN 26 HB2 GLN 26 -7.680 5.491 3.108 44 HB3 GLN 26 HB1 GLN 26 -7.916 4.658 4.639 45 HG2 GLN 26 HG2 GLN 26 -5.614 5.269 5.319 46 HG3 GLN 26 HG1 GLN 26 -5.404 6.126 3.793 47 HE21 GLN 26 HE21 GLN 26 -5.204 7.172 6.487 48 HE22 GLN 26 HE22 GLN 26 -6.367 8.443 6.620 49 H ARG 27 HN ARG 27 -7.009 4.563 0.945 50 HA ARG 27 HA ARG 27 -4.654 4.049 -0.407 51 HB2 ARG 27 HB2 ARG 27 -5.286 5.716 -2.035 52 HB3 ARG 27 HB1 ARG 27 -6.731 4.875 -1.497 53 HG2 ARG 27 HG2 ARG 27 -5.893 7.625 -0.510 54 HG3 ARG 27 HG1 ARG 27 -6.995 7.341 -1.847 55 HD2 ARG 27 HD2 ARG 27 -8.552 6.194 -0.342 56 HD3 ARG 27 HD1 ARG 27 -7.430 6.407 1.002 57 HE ARG 27 HE ARG 27 -7.960 8.945 0.044 58 HH11 ARG 27 HH11 ARG 27 -9.843 6.324 1.455 59 HH12 ARG 27 HH12 ARG 27 -11.045 7.381 2.119 60 HH21 ARG 27 HH21 ARG 27 -9.548 10.314 0.904 61 HH22 ARG 27 HH22 ARG 27 -10.882 9.648 1.792 62 H ALA 28 HN ALA 28 -2.682 4.753 -0.259 63 HA ALA 28 HA ALA 28 -1.845 6.896 1.527 64 HB1 ALA 28 HB1 ALA 28 -0.198 5.097 -0.300 65 HB2 ALA 28 HB2 ALA 28 -0.530 4.796 1.407 66 HB3 ALA 28 HB3 ALA 28 0.448 6.186 0.932 67 H TRP 29 HN TRP 29 -2.342 6.257 -1.820 68 HA TRP 29 HA TRP 29 -1.625 8.986 -2.668 69 HB2 TRP 29 HB2 TRP 29 -1.003 6.432 -4.238 70 HB3 TRP 29 HB1 TRP 29 -0.599 8.079 -4.708 71 HD1 TRP 29 HD1 TRP 29 1.130 9.329 -2.737 72 HE1 TRP 29 HE1 TRP 29 3.249 8.295 -1.723 73 HE3 TRP 29 HE3 TRP 29 0.149 4.396 -3.634 74 HZ2 TRP 29 HZ2 TRP 29 4.371 5.750 -1.344 75 HZ3 TRP 29 HZ3 TRP 29 1.799 2.716 -2.913 76 HH2 TRP 29 HH2 TRP 29 3.870 3.384 -1.790 77 H THR 30 HN THR 30 -3.013 9.816 -4.218 78 HA THR 30 HA THR 30 -5.452 8.353 -4.925 79 HB THR 30 HB THR 30 -5.984 10.553 -6.160 80 HG1 THR 30 HG1 THR 30 -4.527 12.311 -5.258 81 HG21 THR 30 HG21 THR 30 -5.400 10.777 -3.180 82 HG22 THR 30 HG22 THR 30 -6.885 10.139 -3.892 83 HG23 THR 30 HG23 THR 30 -6.465 11.840 -4.105 84 H VAL 31 HN VAL 31 -6.078 8.759 -7.427 85 HA VAL 31 HA VAL 31 -4.361 7.047 -8.883 86 HB VAL 31 HB VAL 31 -6.804 7.153 -9.301 87 HG11 VAL 31 HG11 VAL 31 -6.297 9.813 -10.676 88 HG12 VAL 31 HG12 VAL 31 -7.216 9.563 -9.193 89 HG13 VAL 31 HG13 VAL 31 -7.816 8.907 -10.713 90 HG21 VAL 31 HG21 VAL 31 -5.343 6.119 -10.993 91 HG22 VAL 31 HG22 VAL 31 -5.175 7.669 -11.816 92 HG23 VAL 31 HG23 VAL 31 -6.749 6.875 -11.747 93 H GLU 32 HN GLU 32 -4.630 10.559 -8.794 94 HA GLU 32 HA GLU 32 -2.918 11.163 -10.994 95 HB2 GLU 32 HB2 GLU 32 -2.892 13.464 -10.073 96 HB3 GLU 32 HB1 GLU 32 -4.524 12.810 -10.152 97 HG2 GLU 32 HG2 GLU 32 -4.441 12.317 -7.734 98 HG3 GLU 32 HG1 GLU 32 -2.813 12.992 -7.660 99 H GLN 33 HN GLN 33 -2.312 10.767 -7.489 100 HA GLN 33 HA GLN 33 0.468 11.421 -7.560 101 HB2 GLN 33 HB2 GLN 33 -1.126 9.762 -5.571 102 HB3 GLN 33 HB1 GLN 33 0.560 10.219 -5.334 103 HG2 GLN 33 HG2 GLN 33 -0.117 12.612 -5.387 104 HG3 GLN 33 HG1 GLN 33 -1.801 12.102 -5.545 105 HE21 GLN 33 HE21 GLN 33 0.976 12.213 -3.416 106 HE22 GLN 33 HE22 GLN 33 0.109 11.928 -1.948 107 H LEU 34 HN LEU 34 -1.338 8.420 -7.993 108 HA LEU 34 HA LEU 34 0.795 6.560 -7.871 109 HB2 LEU 34 HB2 LEU 34 -1.874 6.428 -9.297 110 HB3 LEU 34 HB1 LEU 34 -0.773 5.062 -9.196 111 HG LEU 34 HG LEU 34 -1.996 6.413 -6.764 112 HD11 LEU 34 HD11 LEU 34 -2.880 3.888 -8.185 113 HD12 LEU 34 HD12 LEU 34 -3.733 5.436 -8.183 114 HD13 LEU 34 HD13 LEU 34 -3.541 4.537 -6.682 115 HD21 LEU 34 HD21 LEU 34 0.117 5.225 -6.292 116 HD22 LEU 34 HD22 LEU 34 -0.529 3.758 -7.033 117 HD23 LEU 34 HD23 LEU 34 -1.260 4.401 -5.559 118 H ARG 35 HN ARG 35 -0.829 8.128 -10.625 119 HA ARG 35 HA ARG 35 0.738 6.858 -12.651 120 HB2 ARG 35 HB2 ARG 35 -0.437 8.291 -14.232 121 HB3 ARG 35 HB1 ARG 35 -1.584 7.695 -13.035 122 HG2 ARG 35 HG2 ARG 35 -1.490 9.856 -11.861 123 HG3 ARG 35 HG1 ARG 35 -0.320 10.455 -13.036 124 HD2 ARG 35 HD2 ARG 35 -2.494 11.341 -13.582 125 HD3 ARG 35 HD1 ARG 35 -2.042 10.169 -14.824 126 HE ARG 35 HE ARG 35 -3.592 8.911 -12.812 127 HH11 ARG 35 HH11 ARG 35 -3.933 11.124 -15.531 128 HH12 ARG 35 HH12 ARG 35 -5.606 10.748 -15.789 129 HH21 ARG 35 HH21 ARG 35 -5.788 8.428 -13.184 130 HH22 ARG 35 HH22 ARG 35 -6.654 9.206 -14.461 131 H SER 36 HN SER 36 1.408 9.491 -10.580 132 HA SER 36 HA SER 36 3.195 11.051 -12.127 133 HB2 SER 36 HB2 SER 36 2.294 11.765 -9.921 134 HB3 SER 36 HB1 SER 36 3.214 10.489 -9.121 135 HG SER 36 HG SER 36 4.141 12.680 -9.149 136 H GLU 37 HN GLU 37 5.051 10.395 -13.033 137 HA GLU 37 HA GLU 37 6.138 7.814 -12.720 138 HB2 GLU 37 HB2 GLU 37 7.890 8.548 -14.270 139 HB3 GLU 37 HB1 GLU 37 6.304 9.062 -14.823 140 HG2 GLU 37 HG2 GLU 37 6.746 11.352 -14.052 141 HG3 GLU 37 HG1 GLU 37 8.321 10.855 -13.432 142 H GLN 38 HN GLN 38 6.904 10.881 -11.207 143 HA GLN 38 HA GLN 38 9.492 10.281 -10.178 144 HB2 GLN 38 HB2 GLN 38 7.419 12.296 -9.206 145 HB3 GLN 38 HB1 GLN 38 9.087 12.233 -8.642 146 HG2 GLN 38 HG2 GLN 38 9.902 12.781 -10.877 147 HG3 GLN 38 HG1 GLN 38 8.253 12.748 -11.509 148 HE21 GLN 38 HE21 GLN 38 8.305 14.892 -12.183 149 HE22 GLN 38 HE22 GLN 38 8.307 16.223 -11.085 150 H LEU 39 HN LEU 39 6.307 9.339 -9.138 151 HA LEU 39 HA LEU 39 7.097 8.435 -6.492 152 HB2 LEU 39 HB2 LEU 39 4.681 9.020 -7.411 153 HB3 LEU 39 HB1 LEU 39 4.697 7.379 -8.028 154 HG LEU 39 HG LEU 39 4.796 8.257 -5.111 155 HD11 LEU 39 HD11 LEU 39 2.653 7.096 -4.924 156 HD12 LEU 39 HD12 LEU 39 2.691 6.711 -6.646 157 HD13 LEU 39 HD13 LEU 39 2.595 8.392 -6.110 158 HD21 LEU 39 HD21 LEU 39 4.727 5.889 -4.432 159 HD22 LEU 39 HD22 LEU 39 6.224 6.275 -5.272 160 HD23 LEU 39 HD23 LEU 39 4.951 5.387 -6.112 161 HA PRO 40 HA PRO 40 9.314 4.895 -8.445 162 HB2 PRO 40 HB2 PRO 40 9.836 3.570 -6.023 163 HB3 PRO 40 HB1 PRO 40 10.869 4.806 -6.752 164 HG2 PRO 40 HG2 PRO 40 8.814 5.081 -4.580 165 HG3 PRO 40 HG1 PRO 40 10.407 5.853 -4.717 166 HD2 PRO 40 HD2 PRO 40 8.137 7.201 -5.276 167 HD3 PRO 40 HD1 PRO 40 9.625 7.483 -6.213 168 H LYS 41 HN LYS 41 8.196 3.411 -9.427 169 HA LYS 41 HA LYS 41 5.626 2.506 -8.908 170 HB2 LYS 41 HB2 LYS 41 6.085 0.810 -10.683 171 HB3 LYS 41 HB1 LYS 41 6.606 2.433 -11.128 172 HG2 LYS 41 HG2 LYS 41 8.948 1.812 -10.500 173 HG3 LYS 41 HG1 LYS 41 8.390 0.167 -10.170 174 HD2 LYS 41 HD2 LYS 41 7.805 -0.158 -12.508 175 HD3 LYS 41 HD1 LYS 41 8.151 1.536 -12.881 176 HE2 LYS 41 HE2 LYS 41 10.539 1.148 -12.303 177 HE3 LYS 41 HE1 LYS 41 10.173 -0.551 -11.979 178 HZ1 LYS 41 HZ1 LYS 41 11.098 -0.192 -14.192 179 HZ2 LYS 41 HZ2 LYS 41 9.798 0.812 -14.587 180 HZ3 LYS 41 HZ3 LYS 41 9.534 -0.830 -14.270 181 H LYS 42 HN LYS 42 8.681 1.170 -7.801 182 HA LYS 42 HA LYS 42 7.716 -1.409 -7.031 183 HB2 LYS 42 HB2 LYS 42 9.897 -1.661 -5.884 184 HB3 LYS 42 HB1 LYS 42 10.096 -1.064 -7.529 185 HG2 LYS 42 HG2 LYS 42 10.429 1.226 -6.649 186 HG3 LYS 42 HG1 LYS 42 10.246 0.614 -5.000 187 HD2 LYS 42 HD2 LYS 42 12.257 -0.759 -5.245 188 HD3 LYS 42 HD1 LYS 42 12.409 -0.294 -6.944 189 HE2 LYS 42 HE2 LYS 42 13.973 0.952 -5.490 190 HE3 LYS 42 HE1 LYS 42 12.833 2.021 -6.304 191 HZ1 LYS 42 HZ1 LYS 42 12.590 1.087 -3.499 192 HZ2 LYS 42 HZ2 LYS 42 11.544 2.153 -4.284 193 HZ3 LYS 42 HZ3 LYS 42 13.139 2.607 -3.976 194 H ASP 43 HN ASP 43 7.936 1.725 -5.420 195 HA ASP 43 HA ASP 43 7.324 0.774 -2.777 196 HB2 ASP 43 HB2 ASP 43 7.331 3.555 -4.003 197 HB3 ASP 43 HB1 ASP 43 6.847 3.262 -2.331 198 H ILE 44 HN ILE 44 5.430 1.745 -5.567 199 HA ILE 44 HA ILE 44 2.875 1.833 -4.298 200 HB ILE 44 HB ILE 44 3.510 1.075 -7.191 201 HG12 ILE 44 HG12 ILE 44 2.792 3.805 -6.006 202 HG13 ILE 44 HG11 ILE 44 4.378 3.328 -6.603 203 HG21 ILE 44 HG21 ILE 44 1.162 1.709 -7.693 204 HG22 ILE 44 HG22 ILE 44 0.864 1.978 -5.976 205 HG23 ILE 44 HG23 ILE 44 1.239 0.357 -6.560 206 HD11 ILE 44 HD11 ILE 44 3.453 3.124 -8.867 207 HD12 ILE 44 HD12 ILE 44 3.248 4.742 -8.198 208 HD13 ILE 44 HD13 ILE 44 1.876 3.638 -8.263 209 H ILE 45 HN ILE 45 4.588 -0.769 -6.083 210 HA ILE 45 HA ILE 45 2.869 -2.948 -5.694 211 HB ILE 45 HB ILE 45 5.930 -3.016 -5.656 212 HG12 ILE 45 HG12 ILE 45 4.128 -3.325 -8.097 213 HG13 ILE 45 HG11 ILE 45 4.968 -1.839 -7.673 214 HG21 ILE 45 HG21 ILE 45 4.976 -5.162 -4.924 215 HG22 ILE 45 HG22 ILE 45 5.749 -5.329 -6.499 216 HG23 ILE 45 HG23 ILE 45 3.990 -5.242 -6.389 217 HD11 ILE 45 HD11 ILE 45 6.145 -3.045 -9.409 218 HD12 ILE 45 HD12 ILE 45 6.273 -4.471 -8.380 219 HD13 ILE 45 HD13 ILE 45 7.121 -2.985 -7.943 220 H LYS 46 HN LYS 46 5.393 -1.629 -3.622 221 HA LYS 46 HA LYS 46 5.497 -3.597 -1.611 222 HB2 LYS 46 HB2 LYS 46 7.274 -1.915 -2.027 223 HB3 LYS 46 HB1 LYS 46 6.193 -0.632 -1.497 224 HG2 LYS 46 HG2 LYS 46 6.162 -1.708 0.787 225 HG3 LYS 46 HG1 LYS 46 7.372 -2.856 0.207 226 HD2 LYS 46 HD2 LYS 46 8.425 -1.026 1.467 227 HD3 LYS 46 HD1 LYS 46 8.946 -1.007 -0.221 228 HE2 LYS 46 HE2 LYS 46 7.373 0.828 -0.699 229 HE3 LYS 46 HE1 LYS 46 6.783 0.781 0.963 230 HZ1 LYS 46 HZ1 LYS 46 8.383 2.555 0.574 231 HZ2 LYS 46 HZ2 LYS 46 9.563 1.425 0.156 232 HZ3 LYS 46 HZ3 LYS 46 8.943 1.456 1.728 233 H PHE 47 HN PHE 47 3.636 -0.572 -1.877 234 HA PHE 47 HA PHE 47 2.419 -0.650 0.690 235 HB2 PHE 47 HB2 PHE 47 2.475 1.435 -0.624 236 HB3 PHE 47 HB1 PHE 47 1.490 0.701 -1.885 237 HD1 PHE 47 HD2 PHE 47 1.192 0.855 1.829 238 HD2 PHE 47 HD1 PHE 47 -0.668 1.712 -1.904 239 HE1 PHE 47 HE2 PHE 47 -0.814 1.606 3.023 240 HE2 PHE 47 HE1 PHE 47 -2.703 2.457 -0.710 241 HZ PHE 47 HZ PHE 47 -2.771 2.393 1.769 242 H LEU 48 HN LEU 48 1.355 -1.770 -2.489 243 HA LEU 48 HA LEU 48 -1.270 -2.545 -1.682 244 HB2 LEU 48 HB2 LEU 48 0.289 -3.278 -4.186 245 HB3 LEU 48 HB1 LEU 48 -1.445 -3.496 -3.961 246 HG LEU 48 HG LEU 48 0.014 -0.821 -4.016 247 HD11 LEU 48 HD11 LEU 48 -0.086 -1.859 -6.233 248 HD12 LEU 48 HD12 LEU 48 -1.138 -0.448 -6.160 249 HD13 LEU 48 HD13 LEU 48 -1.834 -2.071 -6.085 250 HD21 LEU 48 HD21 LEU 48 -2.221 0.225 -3.974 251 HD22 LEU 48 HD22 LEU 48 -1.889 -0.688 -2.504 252 HD23 LEU 48 HD23 LEU 48 -2.965 -1.359 -3.736 253 H GLN 49 HN GLN 49 1.810 -4.275 -1.866 254 HA GLN 49 HA GLN 49 0.610 -6.868 -1.351 255 HB2 GLN 49 HB2 GLN 49 2.809 -7.807 -1.266 256 HB3 GLN 49 HB1 GLN 49 2.828 -6.628 -2.572 257 HG2 GLN 49 HG2 GLN 49 4.076 -5.063 -1.233 258 HG3 GLN 49 HG1 GLN 49 3.863 -6.045 0.214 259 HE21 GLN 49 HE21 GLN 49 4.785 -7.244 -3.008 260 HE22 GLN 49 HE22 GLN 49 6.353 -7.775 -2.541 261 H GLU 50 HN GLU 50 1.749 -4.192 0.540 262 HA GLU 50 HA GLU 50 2.316 -5.500 2.994 263 HB2 GLU 50 HB2 GLU 50 3.123 -3.224 2.416 264 HB3 GLU 50 HB1 GLU 50 1.476 -2.611 2.491 265 HG2 GLU 50 HG2 GLU 50 1.402 -3.082 4.902 266 HG3 GLU 50 HG1 GLU 50 3.025 -3.767 4.834 267 H HIS 51 HN HIS 51 -0.715 -4.471 1.548 268 HA HIS 51 HA HIS 51 -2.172 -5.395 3.964 269 HB2 HIS 51 HB2 HIS 51 -3.883 -3.695 3.658 270 HB3 HIS 51 HB1 HIS 51 -2.309 -2.932 3.810 271 HD1 HIS 51 HD1 HIS 51 -1.379 -1.704 1.704 272 HD2 HIS 51 HD2 HIS 51 -5.201 -3.260 1.241 273 HE1 HIS 51 HE1 HIS 51 -2.317 -0.588 -0.342 274 HE2 HIS 51 HE2 HIS 51 -4.693 -1.399 -0.479 275 H GLY 52 HN GLY 52 -1.882 -5.664 0.527 276 HA2 GLY 52 HA2 GLY 52 -4.435 -6.824 -0.036 277 HA3 GLY 52 HA1 GLY 52 -2.998 -6.919 -1.042 278 H SER 53 HN SER 53 -5.075 -8.961 -0.105 279 HA SER 53 HA SER 53 -3.614 -10.920 1.435 280 HB2 SER 53 HB2 SER 53 -6.106 -10.800 1.487 281 HB3 SER 53 HB1 SER 53 -6.165 -11.256 -0.218 282 HG SER 53 HG SER 53 -6.388 -13.153 0.812 283 H ASP 54 HN ASP 54 -3.059 -13.094 0.586 284 HA ASP 54 HA ASP 54 -1.134 -12.764 -1.473 285 HB2 ASP 54 HB2 ASP 54 -2.100 -15.333 -0.142 286 HB3 ASP 54 HB1 ASP 54 -0.685 -15.219 -1.185 287 H SER 55 HN SER 55 -4.362 -14.137 -1.497 288 HA SER 55 HA SER 55 -4.211 -15.481 -4.014 289 HB2 SER 55 HB2 SER 55 -5.917 -16.034 -2.275 290 HB3 SER 55 HB1 SER 55 -6.678 -14.465 -2.538 291 HG SER 55 HG SER 55 -6.278 -15.999 -4.804 292 H PHE 56 HN PHE 56 -4.991 -12.185 -3.039 293 HA PHE 56 HA PHE 56 -5.715 -11.226 -5.656 294 HB2 PHE 56 HB2 PHE 56 -6.452 -9.941 -3.710 295 HB3 PHE 56 HB1 PHE 56 -4.803 -9.792 -3.113 296 HD1 PHE 56 HD1 PHE 56 -7.068 -8.742 -5.882 297 HD2 PHE 56 HD2 PHE 56 -3.424 -7.953 -3.794 298 HE1 PHE 56 HE1 PHE 56 -6.803 -6.640 -7.121 299 HE2 PHE 56 HE2 PHE 56 -3.172 -5.856 -5.048 300 HZ PHE 56 HZ PHE 56 -4.859 -5.209 -6.703 301 H LEU 57 HN LEU 57 -2.755 -11.280 -3.680 302 HA LEU 57 HA LEU 57 -1.201 -9.531 -5.232 303 HB2 LEU 57 HB2 LEU 57 -0.254 -11.714 -3.339 304 HB3 LEU 57 HB1 LEU 57 0.763 -10.433 -3.987 305 HG LEU 57 HG LEU 57 -1.562 -10.110 -2.065 306 HD11 LEU 57 HD11 LEU 57 0.458 -10.966 -1.021 307 HD12 LEU 57 HD12 LEU 57 0.127 -9.321 -0.484 308 HD13 LEU 57 HD13 LEU 57 1.398 -9.617 -1.676 309 HD21 LEU 57 HD21 LEU 57 -1.606 -8.231 -3.618 310 HD22 LEU 57 HD22 LEU 57 0.109 -7.915 -3.337 311 HD23 LEU 57 HD23 LEU 57 -1.060 -7.701 -2.031 312 H ALA 58 HN ALA 58 -1.322 -13.097 -5.255 313 HA ALA 58 HA ALA 58 0.794 -13.532 -7.083 314 HB1 ALA 58 HB1 ALA 58 -1.551 -15.340 -6.430 315 HB2 ALA 58 HB2 ALA 58 -0.028 -15.262 -5.545 316 HB3 ALA 58 HB3 ALA 58 -0.045 -15.835 -7.214 317 H GLU 59 HN GLU 59 -2.739 -13.344 -7.575 318 HA GLU 59 HA GLU 59 -2.815 -13.828 -10.355 319 HB2 GLU 59 HB2 GLU 59 -4.714 -12.184 -8.634 320 HB3 GLU 59 HB1 GLU 59 -5.069 -12.736 -10.266 321 HG2 GLU 59 HG2 GLU 59 -4.582 -14.522 -7.864 322 HG3 GLU 59 HG1 GLU 59 -6.156 -14.118 -8.540 323 H HIS 60 HN HIS 60 -1.819 -10.991 -8.600 324 HA HIS 60 HA HIS 60 -1.745 -9.350 -11.086 325 HB2 HIS 60 HB2 HIS 60 -1.886 -8.447 -8.158 326 HB3 HIS 60 HB1 HIS 60 -1.734 -7.360 -9.540 327 HD1 HIS 60 HD1 HIS 60 -4.127 -10.159 -8.543 328 HD2 HIS 60 HD2 HIS 60 -4.175 -6.359 -10.213 329 HE1 HIS 60 HE1 HIS 60 -6.539 -9.669 -9.001 330 HE2 HIS 60 HE2 HIS 60 -6.529 -7.436 -10.151 331 H LYS 61 HN LYS 61 0.138 -11.257 -9.258 332 HA LYS 61 HA LYS 61 2.298 -11.625 -8.839 333 HB2 LYS 61 HB2 LYS 61 2.571 -9.905 -11.325 334 HB3 LYS 61 HB1 LYS 61 3.952 -10.710 -10.578 335 HG2 LYS 61 HG2 LYS 61 2.728 -12.902 -10.869 336 HG3 LYS 61 HG1 LYS 61 1.499 -12.033 -11.795 337 HD2 LYS 61 HD2 LYS 61 4.460 -12.166 -12.514 338 HD3 LYS 61 HD1 LYS 61 3.208 -13.185 -13.225 339 HE2 LYS 61 HE2 LYS 61 3.301 -10.154 -13.422 340 HE3 LYS 61 HE1 LYS 61 3.825 -11.273 -14.680 341 HZ1 LYS 61 HZ1 LYS 61 1.064 -11.059 -13.604 342 HZ2 LYS 61 HZ2 LYS 61 1.568 -12.126 -14.810 343 HZ3 LYS 61 HZ3 LYS 61 1.598 -10.460 -15.090 344 H LEU 62 HN LEU 62 1.106 -9.299 -7.434 345 HA LEU 62 HA LEU 62 3.139 -7.296 -7.163 346 HB2 LEU 62 HB2 LEU 62 0.679 -7.839 -5.465 347 HB3 LEU 62 HB1 LEU 62 1.733 -6.442 -5.274 348 HG LEU 62 HG LEU 62 0.010 -7.073 -7.704 349 HD11 LEU 62 HD11 LEU 62 -1.272 -6.289 -5.781 350 HD12 LEU 62 HD12 LEU 62 -1.255 -5.093 -7.069 351 HD13 LEU 62 HD13 LEU 62 -0.237 -4.862 -5.647 352 HD21 LEU 62 HD21 LEU 62 0.729 -4.877 -8.602 353 HD22 LEU 62 HD22 LEU 62 2.078 -5.998 -8.455 354 HD23 LEU 62 HD23 LEU 62 1.880 -4.705 -7.270 355 H LEU 63 HN LEU 63 2.751 -10.419 -5.766 356 HA LEU 63 HA LEU 63 4.383 -9.830 -3.420 357 HB2 LEU 63 HB2 LEU 63 4.167 -12.302 -2.948 358 HB3 LEU 63 HB1 LEU 63 2.674 -11.392 -2.975 359 HG LEU 63 HG LEU 63 2.205 -12.336 -5.277 360 HD11 LEU 63 HD11 LEU 63 3.364 -14.368 -6.008 361 HD12 LEU 63 HD12 LEU 63 4.550 -14.165 -4.714 362 HD13 LEU 63 HD13 LEU 63 4.431 -12.964 -6.005 363 HD21 LEU 63 HD21 LEU 63 2.475 -14.369 -3.035 364 HD22 LEU 63 HD22 LEU 63 1.429 -14.518 -4.451 365 HD23 LEU 63 HD23 LEU 63 1.129 -13.248 -3.268 366 H GLY 64 HN GLY 64 6.201 -11.545 -3.016 367 HA2 GLY 64 HA2 GLY 64 8.183 -12.572 -3.657 368 HA3 GLY 64 HA1 GLY 64 7.804 -12.244 -5.342 369 H ASN 65 HN ASN 65 10.153 -11.678 -5.426 370 HA ASN 65 HA ASN 65 11.238 -9.406 -4.130 371 HB2 ASN 65 HB2 ASN 65 11.965 -10.804 -6.730 372 HB3 ASN 65 HB1 ASN 65 12.830 -9.368 -6.187 373 HD21 ASN 65 HD21 ASN 65 12.131 -12.737 -5.449 374 HD22 ASN 65 HD22 ASN 65 13.443 -12.962 -4.351 375 H ILE 66 HN ILE 66 10.388 -7.468 -4.233 376 HA ILE 66 HA ILE 66 8.463 -6.558 -6.061 377 HB ILE 66 HB ILE 66 10.258 -4.948 -4.188 378 HG12 ILE 66 HG12 ILE 66 7.434 -6.013 -3.725 379 HG13 ILE 66 HG11 ILE 66 8.899 -6.721 -3.050 380 HG21 ILE 66 HG21 ILE 66 7.639 -4.128 -5.488 381 HG22 ILE 66 HG22 ILE 66 9.232 -3.469 -5.853 382 HG23 ILE 66 HG23 ILE 66 8.515 -3.194 -4.268 383 HD11 ILE 66 HD11 ILE 66 7.770 -5.406 -1.389 384 HD12 ILE 66 HD12 ILE 66 7.773 -3.989 -2.436 385 HD13 ILE 66 HD13 ILE 66 9.296 -4.623 -1.805 386 H LYS 67 HN LYS 67 11.980 -6.025 -5.899 387 HA LYS 67 HA LYS 67 12.304 -4.171 -7.979 388 HB2 LYS 67 HB2 LYS 67 14.665 -4.922 -8.033 389 HB3 LYS 67 HB1 LYS 67 14.096 -4.721 -6.380 390 HG2 LYS 67 HG2 LYS 67 13.743 -7.201 -6.247 391 HG3 LYS 67 HG1 LYS 67 14.462 -7.354 -7.853 392 HD2 LYS 67 HD2 LYS 67 16.574 -6.367 -6.983 393 HD3 LYS 67 HD1 LYS 67 15.842 -6.241 -5.379 394 HE2 LYS 67 HE2 LYS 67 15.593 -8.714 -5.316 395 HE3 LYS 67 HE1 LYS 67 16.370 -8.825 -6.900 396 HZ1 LYS 67 HZ1 LYS 67 18.357 -7.837 -5.934 397 HZ2 LYS 67 HZ2 LYS 67 17.929 -9.257 -5.130 398 HZ3 LYS 67 HZ3 LYS 67 17.606 -7.758 -4.418 399 H ASN 68 HN ASN 68 11.982 -7.695 -8.052 400 HA ASN 68 HA ASN 68 12.629 -8.063 -10.826 401 HB2 ASN 68 HB2 ASN 68 12.799 -9.860 -9.025 402 HB3 ASN 68 HB1 ASN 68 11.046 -9.950 -9.019 403 HD21 ASN 68 HD21 ASN 68 12.985 -12.031 -9.603 404 HD22 ASN 68 HD22 ASN 68 12.650 -12.594 -11.205 405 H VAL 69 HN VAL 69 9.621 -7.838 -8.945 406 HA VAL 69 HA VAL 69 7.754 -8.222 -11.019 407 HB VAL 69 HB VAL 69 7.437 -6.573 -8.455 408 HG11 VAL 69 HG11 VAL 69 4.993 -6.916 -8.744 409 HG12 VAL 69 HG12 VAL 69 5.282 -7.712 -10.291 410 HG13 VAL 69 HG13 VAL 69 5.678 -6.005 -10.095 411 HG21 VAL 69 HG21 VAL 69 8.094 -8.908 -7.995 412 HG22 VAL 69 HG22 VAL 69 6.755 -9.497 -8.982 413 HG23 VAL 69 HG23 VAL 69 6.428 -8.612 -7.490 414 H ALA 70 HN ALA 70 9.470 -5.368 -9.876 415 HA ALA 70 HA ALA 70 7.957 -3.348 -11.120 416 HB1 ALA 70 HB1 ALA 70 10.858 -3.226 -10.235 417 HB2 ALA 70 HB2 ALA 70 9.458 -2.953 -9.200 418 HB3 ALA 70 HB3 ALA 70 9.791 -1.842 -10.530 419 H LYS 71 HN LYS 71 10.212 -5.554 -12.589 420 HA LYS 71 HA LYS 71 11.111 -3.772 -14.690 421 HB2 LYS 71 HB2 LYS 71 12.306 -5.603 -15.614 422 HB3 LYS 71 HB1 LYS 71 12.367 -5.864 -13.877 423 HG2 LYS 71 HG2 LYS 71 10.521 -7.533 -14.096 424 HG3 LYS 71 HG1 LYS 71 10.551 -7.302 -15.842 425 HD2 LYS 71 HD2 LYS 71 11.788 -9.319 -15.262 426 HD3 LYS 71 HD1 LYS 71 12.907 -8.108 -15.892 427 HE2 LYS 71 HE2 LYS 71 13.588 -7.546 -13.573 428 HE3 LYS 71 HE1 LYS 71 12.458 -8.749 -12.949 429 HZ1 LYS 71 HZ1 LYS 71 14.806 -9.300 -14.676 430 HZ2 LYS 71 HZ2 LYS 71 13.726 -10.458 -14.081 431 HZ3 LYS 71 HZ3 LYS 71 14.701 -9.588 -13.015 432 H THR 72 HN THR 72 8.329 -5.729 -14.160 433 HA THR 72 HA THR 72 7.354 -5.327 -16.925 434 HB THR 72 HB THR 72 7.818 -7.731 -16.443 435 HG1 THR 72 HG1 THR 72 5.824 -6.829 -17.644 436 HG21 THR 72 HG21 THR 72 5.684 -7.491 -14.288 437 HG22 THR 72 HG22 THR 72 7.403 -7.773 -14.005 438 HG23 THR 72 HG23 THR 72 6.441 -8.992 -14.839 439 H ALA 73 HN ALA 73 6.914 -4.617 -13.622 440 HA ALA 73 HA ALA 73 4.042 -4.327 -13.629 441 HB1 ALA 73 HB1 ALA 73 4.316 -3.351 -11.403 442 HB2 ALA 73 HB2 ALA 73 6.069 -3.293 -11.616 443 HB3 ALA 73 HB3 ALA 73 5.233 -4.844 -11.545 444 H ASN 74 HN ASN 74 3.754 -3.065 -15.438 445 HA ASN 74 HA ASN 74 4.719 -0.378 -15.671 446 HB2 ASN 74 HB2 ASN 74 3.155 -0.204 -17.556 447 HB3 ASN 74 HB1 ASN 74 4.041 -1.720 -17.648 448 HD21 ASN 74 HD21 ASN 74 0.964 -0.275 -17.531 449 HD22 ASN 74 HD22 ASN 74 0.026 -1.728 -17.463 450 H LYS 75 HN LYS 75 3.355 1.520 -15.472 451 HA LYS 75 HA LYS 75 2.366 1.553 -12.805 452 HB2 LYS 75 HB2 LYS 75 3.776 3.303 -13.989 453 HB3 LYS 75 HB1 LYS 75 2.324 3.813 -14.834 454 HG2 LYS 75 HG2 LYS 75 1.340 4.684 -12.891 455 HG3 LYS 75 HG1 LYS 75 2.395 3.765 -11.817 456 HD2 LYS 75 HD2 LYS 75 3.499 5.929 -13.655 457 HD3 LYS 75 HD1 LYS 75 2.836 6.312 -12.072 458 HE2 LYS 75 HE2 LYS 75 5.231 6.141 -11.857 459 HE3 LYS 75 HE1 LYS 75 4.516 4.752 -11.037 460 HZ1 LYS 75 HZ1 LYS 75 6.438 4.144 -12.363 461 HZ2 LYS 75 HZ2 LYS 75 5.700 4.738 -13.764 462 HZ3 LYS 75 HZ3 LYS 75 5.049 3.398 -12.965 463 H ASP 76 HN ASP 76 0.829 1.521 -15.939 464 HA ASP 76 HA ASP 76 -1.819 2.211 -15.241 465 HB2 ASP 76 HB2 ASP 76 -1.006 2.052 -17.580 466 HB3 ASP 76 HB1 ASP 76 -0.792 0.319 -17.404 467 H HIS 77 HN HIS 77 -0.131 -0.935 -15.243 468 HA HIS 77 HA HIS 77 -2.230 -2.615 -14.375 469 HB2 HIS 77 HB2 HIS 77 -0.283 -3.680 -15.291 470 HB3 HIS 77 HB1 HIS 77 0.804 -2.815 -14.217 471 HD1 HIS 77 HD1 HIS 77 -1.611 -5.720 -14.253 472 HD2 HIS 77 HD2 HIS 77 1.310 -4.087 -11.786 473 HE1 HIS 77 HE1 HIS 77 -1.228 -7.414 -12.446 474 HE2 HIS 77 HE2 HIS 77 0.700 -6.498 -11.109 475 H LEU 78 HN LEU 78 0.173 -0.697 -12.615 476 HA LEU 78 HA LEU 78 -0.278 -1.748 -10.024 477 HB2 LEU 78 HB2 LEU 78 0.889 0.926 -10.870 478 HB3 LEU 78 HB1 LEU 78 0.967 0.280 -9.234 479 HG LEU 78 HG LEU 78 2.259 -0.960 -11.695 480 HD11 LEU 78 HD11 LEU 78 3.393 1.070 -10.969 481 HD12 LEU 78 HD12 LEU 78 4.383 -0.354 -10.663 482 HD13 LEU 78 HD13 LEU 78 3.536 0.435 -9.327 483 HD21 LEU 78 HD21 LEU 78 3.300 -2.548 -10.109 484 HD22 LEU 78 HD22 LEU 78 1.552 -2.721 -10.180 485 HD23 LEU 78 HD23 LEU 78 2.299 -1.901 -8.806 486 H VAL 79 HN VAL 79 -1.647 1.042 -11.701 487 HA VAL 79 HA VAL 79 -3.237 2.038 -9.552 488 HB VAL 79 HB VAL 79 -3.551 2.426 -12.571 489 HG11 VAL 79 HG11 VAL 79 -4.872 3.954 -10.288 490 HG12 VAL 79 HG12 VAL 79 -5.689 2.894 -11.441 491 HG13 VAL 79 HG13 VAL 79 -4.958 4.401 -11.995 492 HG21 VAL 79 HG21 VAL 79 -2.438 4.612 -12.188 493 HG22 VAL 79 HG22 VAL 79 -1.397 3.275 -11.692 494 HG23 VAL 79 HG23 VAL 79 -2.253 4.221 -10.474 495 H THR 80 HN THR 80 -3.862 -0.217 -12.235 496 HA THR 80 HA THR 80 -6.610 -0.687 -11.810 497 HB THR 80 HB THR 80 -4.535 -2.592 -12.984 498 HG1 THR 80 HG1 THR 80 -5.815 -0.310 -13.926 499 HG21 THR 80 HG21 THR 80 -7.560 -2.547 -13.392 500 HG22 THR 80 HG22 THR 80 -6.683 -3.752 -12.448 501 HG23 THR 80 HG23 THR 80 -6.415 -3.637 -14.186 502 H ALA 81 HN ALA 81 -3.736 -2.290 -10.455 503 HA ALA 81 HA ALA 81 -5.093 -4.307 -8.976 504 HB1 ALA 81 HB1 ALA 81 -2.717 -4.491 -9.613 505 HB2 ALA 81 HB2 ALA 81 -2.906 -4.624 -7.863 506 HB3 ALA 81 HB3 ALA 81 -2.313 -3.120 -8.579 507 H TYR 82 HN TYR 82 -3.826 -1.104 -8.182 508 HA TYR 82 HA TYR 82 -4.344 -0.865 -5.475 509 HB2 TYR 82 HB2 TYR 82 -3.094 0.869 -6.466 510 HB3 TYR 82 HB1 TYR 82 -4.205 1.057 -7.805 511 HD1 TYR 82 HD1 TYR 82 -6.229 2.463 -7.567 512 HD2 TYR 82 HD2 TYR 82 -3.397 2.149 -4.370 513 HE1 TYR 82 HE1 TYR 82 -7.160 4.493 -6.561 514 HE2 TYR 82 HE2 TYR 82 -4.359 4.178 -3.348 515 HH TYR 82 HH TYR 82 -5.649 6.242 -4.232 516 H ASN 83 HN ASN 83 -6.553 -0.009 -8.171 517 HA ASN 83 HA ASN 83 -8.710 0.834 -6.537 518 HB2 ASN 83 HB2 ASN 83 -8.451 0.187 -9.483 519 HB3 ASN 83 HB1 ASN 83 -10.056 0.423 -8.802 520 HD21 ASN 83 HD21 ASN 83 -7.036 2.003 -9.610 521 HD22 ASN 83 HD22 ASN 83 -7.603 3.615 -9.393 522 H HIS 84 HN HIS 84 -8.060 -2.261 -8.182 523 HA HIS 84 HA HIS 84 -10.503 -3.536 -7.531 524 HB2 HIS 84 HB2 HIS 84 -7.829 -4.545 -8.512 525 HB3 HIS 84 HB1 HIS 84 -9.032 -5.706 -7.963 526 HD1 HIS 84 HD1 HIS 84 -10.804 -6.346 -9.597 527 HD2 HIS 84 HD2 HIS 84 -8.805 -2.898 -10.772 528 HE1 HIS 84 HE1 HIS 84 -11.653 -5.831 -11.897 529 HE2 HIS 84 HE2 HIS 84 -10.451 -3.735 -12.593 530 H LEU 85 HN LEU 85 -7.586 -3.059 -5.640 531 HA LEU 85 HA LEU 85 -8.061 -4.949 -3.614 532 HB2 LEU 85 HB2 LEU 85 -6.391 -2.550 -3.948 533 HB3 LEU 85 HB1 LEU 85 -6.959 -2.683 -2.297 534 HG LEU 85 HG LEU 85 -5.535 -4.884 -3.764 535 HD11 LEU 85 HD11 LEU 85 -4.372 -2.920 -1.780 536 HD12 LEU 85 HD12 LEU 85 -3.994 -3.007 -3.501 537 HD13 LEU 85 HD13 LEU 85 -3.529 -4.333 -2.437 538 HD21 LEU 85 HD21 LEU 85 -6.225 -4.594 -0.840 539 HD22 LEU 85 HD22 LEU 85 -5.283 -5.913 -1.547 540 HD23 LEU 85 HD23 LEU 85 -6.975 -5.705 -1.988 541 H PHE 86 HN PHE 86 -9.093 -1.559 -3.863 542 HA PHE 86 HA PHE 86 -10.538 -1.584 -1.406 543 HB2 PHE 86 HB2 PHE 86 -10.793 0.409 -3.696 544 HB3 PHE 86 HB1 PHE 86 -11.313 0.674 -2.033 545 HD1 PHE 86 HD2 PHE 86 -9.466 0.826 -0.205 546 HD2 PHE 86 HD1 PHE 86 -8.610 0.877 -4.384 547 HE1 PHE 86 HE2 PHE 86 -7.254 1.838 0.245 548 HE2 PHE 86 HE1 PHE 86 -6.428 1.861 -3.909 549 HZ PHE 86 HZ PHE 86 -5.740 2.339 -1.603 550 H GLU 87 HN GLU 87 -11.285 -2.245 -4.719 551 HA GLU 87 HA GLU 87 -13.919 -1.695 -5.167 552 HB2 GLU 87 HB2 GLU 87 -12.414 -2.470 -6.900 553 HB3 GLU 87 HB1 GLU 87 -12.208 -4.024 -6.109 554 HG2 GLU 87 HG2 GLU 87 -14.592 -4.558 -6.628 555 HG3 GLU 87 HG1 GLU 87 -14.714 -3.025 -7.490 556 H THR 88 HN THR 88 -12.677 -4.724 -3.836 557 HA THR 88 HA THR 88 -15.381 -5.526 -2.911 558 HB THR 88 HB THR 88 -14.450 -7.912 -3.112 559 HG1 THR 88 HG1 THR 88 -12.591 -8.153 -4.383 560 HG21 THR 88 HG21 THR 88 -14.605 -6.328 -5.707 561 HG22 THR 88 HG22 THR 88 -15.976 -7.044 -4.856 562 HG23 THR 88 HG23 THR 88 -14.737 -8.083 -5.565 563 H LYS 89 HN LYS 89 -12.437 -4.370 -1.953 564 HA LYS 89 HA LYS 89 -11.134 -4.325 -0.130 565 HB2 LYS 89 HB2 LYS 89 -13.598 -5.427 1.285 566 HB3 LYS 89 HB1 LYS 89 -12.177 -4.781 2.107 567 HG2 LYS 89 HG2 LYS 89 -12.577 -2.564 1.207 568 HG3 LYS 89 HG1 LYS 89 -13.875 -3.164 0.170 569 HD2 LYS 89 HD2 LYS 89 -13.911 -3.067 3.213 570 HD3 LYS 89 HD1 LYS 89 -14.768 -1.973 2.125 571 HE2 LYS 89 HE2 LYS 89 -15.272 -4.952 2.466 572 HE3 LYS 89 HE1 LYS 89 -16.315 -3.633 3.003 573 HZ1 LYS 89 HZ1 LYS 89 -17.103 -4.623 0.943 574 HZ2 LYS 89 HZ2 LYS 89 -15.647 -4.254 0.173 575 HZ3 LYS 89 HZ3 LYS 89 -16.666 -3.009 0.694 576 H ARG 90 HN ARG 90 -10.072 -5.972 -1.457 577 HA ARG 90 HA ARG 90 -9.900 -8.715 -0.486 578 HB2 ARG 90 HB2 ARG 90 -8.407 -7.135 -2.625 579 HB3 ARG 90 HB1 ARG 90 -8.062 -8.829 -2.267 580 HG2 ARG 90 HG2 ARG 90 -10.187 -9.552 -3.047 581 HG3 ARG 90 HG1 ARG 90 -10.840 -7.908 -3.040 582 HD2 ARG 90 HD2 ARG 90 -9.518 -7.272 -4.926 583 HD3 ARG 90 HD1 ARG 90 -8.540 -8.730 -4.803 584 HE ARG 90 HE ARG 90 -10.495 -10.014 -5.535 585 HH11 ARG 90 HH11 ARG 90 -10.670 -6.560 -6.114 586 HH12 ARG 90 HH12 ARG 90 -11.733 -6.713 -7.475 587 HH21 ARG 90 HH21 ARG 90 -11.895 -10.197 -7.333 588 HH22 ARG 90 HH22 ARG 90 -12.394 -8.770 -8.181 589 H PHE 91 HN PHE 91 -8.974 -6.091 0.921 590 HA PHE 91 HA PHE 91 -6.324 -6.265 1.749 591 HB2 PHE 91 HB2 PHE 91 -8.805 -5.445 3.311 592 HB3 PHE 91 HB1 PHE 91 -7.168 -5.236 3.920 593 HD1 PHE 91 HD1 PHE 91 -7.975 -4.580 0.344 594 HD2 PHE 91 HD2 PHE 91 -7.442 -2.864 4.218 595 HE1 PHE 91 HE1 PHE 91 -7.953 -2.324 -0.643 596 HE2 PHE 91 HE2 PHE 91 -7.392 -0.629 3.219 597 HZ PHE 91 HZ PHE 91 -7.650 -0.357 0.802 598 H LYS 92 HN LYS 92 -5.479 -7.068 3.824 599 HA LYS 92 HA LYS 92 -6.544 -9.729 4.540 600 HB2 LYS 92 HB2 LYS 92 -4.264 -9.657 3.454 601 HB3 LYS 92 HB1 LYS 92 -3.685 -8.698 4.812 602 HG2 LYS 92 HG2 LYS 92 -4.218 -10.581 6.350 603 HG3 LYS 92 HG1 LYS 92 -4.750 -11.542 4.969 604 HD2 LYS 92 HD2 LYS 92 -1.930 -10.458 5.362 605 HD3 LYS 92 HD1 LYS 92 -2.445 -12.107 5.731 606 HE2 LYS 92 HE2 LYS 92 -2.961 -12.485 3.351 607 HE3 LYS 92 HE1 LYS 92 -2.500 -10.821 2.975 608 HZ1 LYS 92 HZ1 LYS 92 -0.688 -12.868 4.127 609 HZ2 LYS 92 HZ2 LYS 92 -0.261 -11.297 3.658 610 HZ3 LYS 92 HZ3 LYS 92 -0.746 -12.432 2.497
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