NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
584286 | 2muq | 25229 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 11.112 -2.271 -17.664 2 HA SER 1 HA SER 1 8.958 -3.095 -18.904 3 HB2 SER 1 HB2 SER 1 9.935 -3.801 -16.176 4 HB3 SER 1 HB3 SER 1 8.384 -4.462 -16.692 5 HG SER 1 HG SER 1 10.905 -5.137 -17.470 6 H HIS 2 H HIS 2 6.753 -3.009 -18.862 7 HA HIS 2 HA HIS 2 5.553 -0.744 -17.620 8 HB2 HIS 2 HB2 HIS 2 4.933 -2.021 -19.837 9 HB3 HIS 2 HB3 HIS 2 3.921 -2.979 -18.760 10 HD1 HIS 2 HD1 HIS 2 3.842 -0.014 -20.771 11 HD2 HIS 2 HD2 HIS 2 2.090 -1.201 -17.196 12 HE1 HIS 2 HE1 HIS 2 1.892 1.538 -20.430 13 H MET 3 H MET 3 4.818 -4.223 -17.282 14 HA MET 3 HA MET 3 3.504 -3.696 -14.742 15 HB2 MET 3 HB2 MET 3 3.752 -6.122 -16.504 16 HB3 MET 3 HB3 MET 3 3.121 -6.242 -14.867 17 HG2 MET 3 HG2 MET 3 1.248 -4.938 -15.368 18 HG3 MET 3 HG3 MET 3 1.970 -4.317 -16.850 19 HE1 MET 3 HE1 MET 3 0.300 -8.535 -16.189 20 HE2 MET 3 HE2 MET 3 2.043 -8.336 -16.004 21 HE3 MET 3 HE3 MET 3 0.937 -7.430 -14.969 22 H GLY 4 H GLY 4 5.944 -3.003 -14.223 23 HA2 GLY 4 HA2 GLY 4 7.109 -5.316 -12.802 24 HA3 GLY 4 HA3 GLY 4 8.122 -4.161 -13.656 25 H ALA 5 H ALA 5 8.018 -1.894 -12.910 26 HA ALA 5 HA ALA 5 7.725 -1.820 -9.985 27 HB1 ALA 5 HB1 ALA 5 9.628 -0.588 -11.880 28 HB2 ALA 5 HB2 ALA 5 9.159 0.382 -10.484 29 HB3 ALA 5 HB3 ALA 5 9.887 -1.207 -10.250 30 H ALA 6 H ALA 6 5.844 -0.967 -9.381 31 HA ALA 6 HA ALA 6 5.065 1.623 -10.491 32 HB1 ALA 6 HB1 ALA 6 3.607 -0.878 -10.881 33 HB2 ALA 6 HB2 ALA 6 2.620 0.427 -10.224 34 HB3 ALA 6 HB3 ALA 6 3.483 0.655 -11.744 35 H ALA 7 H ALA 7 3.200 2.567 -9.187 36 HA ALA 7 HA ALA 7 3.345 1.719 -6.373 37 HB1 ALA 7 HB1 ALA 7 3.426 4.077 -5.684 38 HB2 ALA 7 HB2 ALA 7 4.841 3.609 -6.628 39 HB3 ALA 7 HB3 ALA 7 3.555 4.555 -7.377 40 H LEU 8 H LEU 8 1.423 1.531 -5.410 41 HA LEU 8 HA LEU 8 -0.913 2.735 -6.743 42 HB2 LEU 8 HB2 LEU 8 -2.140 0.842 -5.474 43 HB3 LEU 8 HB3 LEU 8 -1.274 0.475 -6.964 44 HG LEU 8 HG LEU 8 0.637 -0.323 -5.550 45 HD11 LEU 8 HD11 LEU 8 -1.146 0.643 -3.459 46 HD12 LEU 8 HD12 LEU 8 0.583 0.302 -3.409 47 HD13 LEU 8 HD13 LEU 8 -0.579 -1.006 -3.187 48 HD21 LEU 8 HD21 LEU 8 -2.034 -1.589 -5.737 49 HD22 LEU 8 HD22 LEU 8 -0.855 -2.347 -4.667 50 HD23 LEU 8 HD23 LEU 8 -0.478 -2.119 -6.374 51 H ARG 9 H ARG 9 -2.696 3.364 -5.357 52 HA ARG 9 HA ARG 9 -1.737 4.317 -2.745 53 HB2 ARG 9 HB2 ARG 9 -2.752 5.804 -4.738 54 HB3 ARG 9 HB3 ARG 9 -4.247 5.389 -3.911 55 HG2 ARG 9 HG2 ARG 9 -2.021 6.374 -2.233 56 HG3 ARG 9 HG3 ARG 9 -2.801 7.540 -3.304 57 HD2 ARG 9 HD2 ARG 9 -4.981 6.396 -2.277 58 HD3 ARG 9 HD3 ARG 9 -3.869 6.111 -0.938 59 HE ARG 9 HE ARG 9 -3.513 8.734 -1.472 60 HH11 ARG 9 HH11 ARG 9 -6.341 6.785 -0.897 61 HH12 ARG 9 HH12 ARG 9 -7.249 8.081 -0.190 62 HH21 ARG 9 HH21 ARG 9 -4.699 10.447 -0.545 63 HH22 ARG 9 HH22 ARG 9 -6.315 10.163 0.008 64 H SER 10 H SER 10 -3.305 1.765 -3.851 65 HA SER 10 HA SER 10 -4.838 1.445 -1.404 66 HB2 SER 10 HB2 SER 10 -6.728 0.475 -3.029 67 HB3 SER 10 HB3 SER 10 -6.709 2.161 -2.516 68 HG SER 10 HG SER 10 -6.427 2.702 -4.516 69 H CYS 11 H CYS 11 -5.885 -0.846 -1.436 70 HA CYS 11 HA CYS 11 -3.843 -2.698 -2.466 71 HB2 CYS 11 HB2 CYS 11 -4.386 -2.438 0.077 72 HB3 CYS 11 HB3 CYS 11 -5.798 -3.418 -0.307 73 HA PRO 12 HA PRO 12 -7.433 -3.727 -5.091 74 HB2 PRO 12 HB2 PRO 12 -5.922 -4.689 -7.131 75 HB3 PRO 12 HB3 PRO 12 -6.260 -2.968 -6.915 76 HG2 PRO 12 HG2 PRO 12 -3.819 -4.527 -6.159 77 HG3 PRO 12 HG3 PRO 12 -3.935 -2.927 -6.913 78 HD2 PRO 12 HD2 PRO 12 -3.445 -3.260 -4.271 79 HD3 PRO 12 HD3 PRO 12 -4.352 -1.872 -4.906 80 H MET 13 H MET 13 -5.023 -5.511 -3.524 81 HA MET 13 HA MET 13 -5.674 -8.097 -4.578 82 HB2 MET 13 HB2 MET 13 -3.954 -7.056 -2.376 83 HB3 MET 13 HB3 MET 13 -4.422 -8.750 -2.334 84 HG2 MET 13 HG2 MET 13 -3.530 -8.938 -4.678 85 HG3 MET 13 HG3 MET 13 -2.860 -7.322 -4.464 86 HE1 MET 13 HE1 MET 13 -0.895 -6.720 -3.459 87 HE2 MET 13 HE2 MET 13 -1.272 -7.045 -1.767 88 HE3 MET 13 HE3 MET 13 0.208 -7.690 -2.481 89 H CYS 14 H CYS 14 -6.679 -6.154 -1.834 90 HA CYS 14 HA CYS 14 -8.716 -8.191 -1.222 91 HB2 CYS 14 HB2 CYS 14 -8.532 -7.680 1.138 92 HB3 CYS 14 HB3 CYS 14 -6.946 -8.128 0.520 93 H GLN 15 H GLN 15 -8.386 -5.386 -2.641 94 HA GLN 15 HA GLN 15 -9.712 -3.586 -3.053 95 HB2 GLN 15 HB2 GLN 15 -11.650 -5.558 -1.899 96 HB3 GLN 15 HB3 GLN 15 -12.182 -3.920 -2.255 97 HG2 GLN 15 HG2 GLN 15 -11.350 -4.252 -4.591 98 HG3 GLN 15 HG3 GLN 15 -11.079 -5.946 -4.182 99 HE21 GLN 15 HE21 GLN 15 -12.987 -7.123 -3.342 100 HE22 GLN 15 HE22 GLN 15 -14.528 -6.762 -4.036 101 H LYS 16 H LYS 16 -8.095 -3.115 -1.002 102 HA LYS 16 HA LYS 16 -9.789 -1.858 1.056 103 HB2 LYS 16 HB2 LYS 16 -8.349 -3.525 2.040 104 HB3 LYS 16 HB3 LYS 16 -6.943 -2.857 1.222 105 HG2 LYS 16 HG2 LYS 16 -6.885 -0.976 2.605 106 HG3 LYS 16 HG3 LYS 16 -8.537 -1.232 3.171 107 HD2 LYS 16 HD2 LYS 16 -7.721 -3.374 4.222 108 HD3 LYS 16 HD3 LYS 16 -6.081 -2.842 3.844 109 HE2 LYS 16 HE2 LYS 16 -6.530 -0.762 5.139 110 HE3 LYS 16 HE3 LYS 16 -8.086 -1.444 5.610 111 HZ1 LYS 16 HZ1 LYS 16 -6.846 -3.333 6.589 112 HZ2 LYS 16 HZ2 LYS 16 -6.522 -1.854 7.342 113 HZ3 LYS 16 HZ3 LYS 16 -5.398 -2.517 6.266 114 H GLU 17 H GLU 17 -9.320 0.260 1.711 115 HA GLU 17 HA GLU 17 -7.747 1.791 -0.247 116 HB2 GLU 17 HB2 GLU 17 -10.099 2.541 1.482 117 HB3 GLU 17 HB3 GLU 17 -9.103 3.750 0.684 118 HG2 GLU 17 HG2 GLU 17 -9.676 2.870 -1.478 119 HG3 GLU 17 HG3 GLU 17 -10.555 1.534 -0.740 120 H PHE 18 H PHE 18 -5.967 2.827 0.381 121 HA PHE 18 HA PHE 18 -5.143 2.652 3.150 122 HB2 PHE 18 HB2 PHE 18 -3.738 3.715 0.693 123 HB3 PHE 18 HB3 PHE 18 -3.007 3.631 2.293 124 HD1 PHE 18 HD2 PHE 18 -3.860 1.040 3.277 125 HD2 PHE 18 HD1 PHE 18 -2.628 2.191 -0.631 126 HE1 PHE 18 HE2 PHE 18 -3.141 -1.270 2.828 127 HE2 PHE 18 HE1 PHE 18 -1.907 -0.118 -1.087 128 HZ PHE 18 HZ PHE 18 -2.163 -1.851 0.643 129 H ALA 19 H ALA 19 -5.173 4.249 4.604 130 HA ALA 19 HA ALA 19 -6.608 6.623 4.151 131 HB1 ALA 19 HB1 ALA 19 -4.994 7.054 6.400 132 HB2 ALA 19 HB2 ALA 19 -6.662 6.481 6.366 133 HB3 ALA 19 HB3 ALA 19 -5.332 5.323 6.371 134 HA PRO 20 HA PRO 20 -3.693 9.514 2.602 135 HB2 PRO 20 HB2 PRO 20 -4.338 11.776 3.957 136 HB3 PRO 20 HB3 PRO 20 -5.359 11.094 2.686 137 HG2 PRO 20 HG2 PRO 20 -5.620 10.851 5.658 138 HG3 PRO 20 HG3 PRO 20 -6.880 11.141 4.445 139 HD2 PRO 20 HD2 PRO 20 -6.440 8.702 5.534 140 HD3 PRO 20 HD3 PRO 20 -7.012 8.914 3.867 141 H ARG 21 H ARG 21 -3.895 9.184 6.095 142 HA ARG 21 HA ARG 21 -1.522 10.621 6.702 143 HB2 ARG 21 HB2 ARG 21 -1.687 9.512 8.911 144 HB3 ARG 21 HB3 ARG 21 -3.198 10.257 8.409 145 HG2 ARG 21 HG2 ARG 21 -4.221 8.211 8.008 146 HG3 ARG 21 HG3 ARG 21 -2.681 7.354 7.905 147 HD2 ARG 21 HD2 ARG 21 -2.332 7.577 10.267 148 HD3 ARG 21 HD3 ARG 21 -3.740 8.627 10.423 149 HE ARG 21 HE ARG 21 -4.604 6.210 9.343 150 HH11 ARG 21 HH11 ARG 21 -3.212 7.410 12.299 151 HH12 ARG 21 HH12 ARG 21 -3.960 6.205 13.295 152 HH21 ARG 21 HH21 ARG 21 -5.594 4.618 10.642 153 HH22 ARG 21 HH22 ARG 21 -5.314 4.617 12.351 154 H LEU 22 H LEU 22 -2.165 7.394 5.626 155 HA LEU 22 HA LEU 22 0.173 6.113 6.511 156 HB2 LEU 22 HB2 LEU 22 -1.624 5.626 4.150 157 HB3 LEU 22 HB3 LEU 22 -0.257 4.584 4.537 158 HG LEU 22 HG LEU 22 -2.598 5.087 6.372 159 HD11 LEU 22 HD11 LEU 22 -3.426 2.937 5.737 160 HD12 LEU 22 HD12 LEU 22 -2.027 2.645 4.704 161 HD13 LEU 22 HD13 LEU 22 -3.198 3.890 4.270 162 HD21 LEU 22 HD21 LEU 22 -1.465 3.977 7.927 163 HD22 LEU 22 HD22 LEU 22 -0.042 4.094 6.893 164 HD23 LEU 22 HD23 LEU 22 -1.084 2.674 6.802 165 H THR 23 H THR 23 2.106 5.608 5.401 166 HA THR 23 HA THR 23 2.851 7.611 3.375 167 HB THR 23 HB THR 23 5.252 6.820 4.162 168 HG1 THR 23 HG1 THR 23 4.015 5.324 5.701 169 HG21 THR 23 HG21 THR 23 4.550 9.105 4.317 170 HG22 THR 23 HG22 THR 23 5.197 8.637 5.890 171 HG23 THR 23 HG23 THR 23 3.454 8.734 5.647 172 H GLN 24 H GLN 24 4.759 6.825 1.980 173 HA GLN 24 HA GLN 24 3.922 4.790 0.317 174 HB2 GLN 24 HB2 GLN 24 6.164 4.836 -0.655 175 HB3 GLN 24 HB3 GLN 24 5.587 6.465 -0.333 176 HG2 GLN 24 HG2 GLN 24 6.886 6.166 1.911 177 HG3 GLN 24 HG3 GLN 24 7.745 4.917 1.013 178 HE21 GLN 24 HE21 GLN 24 8.833 7.343 2.055 179 HE22 GLN 24 HE22 GLN 24 9.423 8.259 0.713 180 H LEU 25 H LEU 25 5.964 4.619 3.165 181 HA LEU 25 HA LEU 25 6.813 1.931 2.777 182 HB2 LEU 25 HB2 LEU 25 7.709 2.051 4.963 183 HB3 LEU 25 HB3 LEU 25 7.943 3.633 4.222 184 HG LEU 25 HG LEU 25 5.662 4.131 5.507 185 HD11 LEU 25 HD11 LEU 25 6.219 2.977 7.845 186 HD12 LEU 25 HD12 LEU 25 6.780 1.700 6.767 187 HD13 LEU 25 HD13 LEU 25 5.114 2.267 6.668 188 HD21 LEU 25 HD21 LEU 25 7.437 4.551 7.534 189 HD22 LEU 25 HD22 LEU 25 7.207 5.621 6.151 190 HD23 LEU 25 HD23 LEU 25 8.506 4.427 6.136 191 H ASP 26 H ASP 26 4.097 3.442 4.418 192 HA ASP 26 HA ASP 26 3.179 1.175 5.815 193 HB2 ASP 26 HB2 ASP 26 1.809 3.679 4.846 194 HB3 ASP 26 HB3 ASP 26 0.939 2.422 5.721 195 H VAL 27 H VAL 27 2.324 2.474 2.622 196 HA VAL 27 HA VAL 27 0.319 0.677 1.945 197 HB VAL 27 HB VAL 27 2.363 1.932 0.106 198 HG11 VAL 27 HG11 VAL 27 0.327 0.011 -0.411 199 HG12 VAL 27 HG12 VAL 27 -0.140 1.541 -1.157 200 HG13 VAL 27 HG13 VAL 27 1.412 0.803 -1.551 201 HG21 VAL 27 HG21 VAL 27 -0.153 2.903 1.356 202 HG22 VAL 27 HG22 VAL 27 1.340 3.771 0.996 203 HG23 VAL 27 HG23 VAL 27 0.201 3.402 -0.298 204 H ASP 28 H ASP 28 3.806 0.440 1.253 205 HA ASP 28 HA ASP 28 3.704 -2.081 0.015 206 HB2 ASP 28 HB2 ASP 28 5.819 -0.351 1.166 207 HB3 ASP 28 HB3 ASP 28 6.210 -2.062 1.012 208 H SER 29 H SER 29 3.956 -1.123 3.379 209 HA SER 29 HA SER 29 4.772 -3.508 4.537 210 HB2 SER 29 HB2 SER 29 4.195 -1.130 5.560 211 HB3 SER 29 HB3 SER 29 2.652 -1.908 5.907 212 HG SER 29 HG SER 29 3.873 -3.572 6.970 213 H HIS 30 H HIS 30 1.443 -2.403 3.915 214 HA HIS 30 HA HIS 30 0.272 -4.872 4.749 215 HB2 HIS 30 HB2 HIS 30 -0.962 -2.752 4.874 216 HB3 HIS 30 HB3 HIS 30 -0.908 -2.613 3.118 217 HD1 HIS 30 HD1 HIS 30 -3.101 -3.636 5.711 218 HD2 HIS 30 HD2 HIS 30 -2.241 -5.056 1.903 219 HE1 HIS 30 HE1 HIS 30 -5.067 -5.065 5.066 220 H LEU 31 H LEU 31 1.256 -3.494 1.672 221 HA LEU 31 HA LEU 31 -0.009 -5.277 -0.060 222 HB2 LEU 31 HB2 LEU 31 2.498 -3.654 -0.240 223 HB3 LEU 31 HB3 LEU 31 2.059 -4.762 -1.538 224 HG LEU 31 HG LEU 31 0.407 -2.426 -0.579 225 HD11 LEU 31 HD11 LEU 31 1.464 -1.154 -2.061 226 HD12 LEU 31 HD12 LEU 31 1.278 -2.367 -3.327 227 HD13 LEU 31 HD13 LEU 31 2.653 -2.448 -2.226 228 HD21 LEU 31 HD21 LEU 31 -0.034 -4.489 -2.724 229 HD22 LEU 31 HD22 LEU 31 -0.877 -2.940 -2.693 230 HD23 LEU 31 HD23 LEU 31 -1.085 -4.084 -1.365 231 H ALA 32 H ALA 32 2.777 -5.676 1.968 232 HA ALA 32 HA ALA 32 3.694 -8.069 0.631 233 HB1 ALA 32 HB1 ALA 32 5.019 -6.267 2.067 234 HB2 ALA 32 HB2 ALA 32 4.640 -7.406 3.360 235 HB3 ALA 32 HB3 ALA 32 5.543 -7.946 1.945 236 H GLN 33 H GLN 33 1.952 -7.244 3.596 237 HA GLN 33 HA GLN 33 1.800 -9.930 4.547 238 HB2 GLN 33 HB2 GLN 33 0.138 -7.511 5.274 239 HB3 GLN 33 HB3 GLN 33 0.163 -9.031 6.158 240 HG2 GLN 33 HG2 GLN 33 2.622 -8.661 6.513 241 HG3 GLN 33 HG3 GLN 33 2.393 -7.041 5.854 242 HE21 GLN 33 HE21 GLN 33 2.690 -5.785 7.584 243 HE22 GLN 33 HE22 GLN 33 1.784 -5.887 9.051 244 H CYS 34 H CYS 34 -0.173 -7.930 2.363 245 HA CYS 34 HA CYS 34 -2.483 -9.516 2.556 246 HB2 CYS 34 HB2 CYS 34 -2.055 -7.106 1.523 247 HB3 CYS 34 HB3 CYS 34 -1.829 -8.016 0.043 248 H LEU 35 H LEU 35 0.154 -9.303 0.169 249 HA LEU 35 HA LEU 35 -0.631 -11.527 -1.381 250 HB2 LEU 35 HB2 LEU 35 1.272 -11.174 -2.609 251 HB3 LEU 35 HB3 LEU 35 1.021 -9.585 -1.891 252 HG LEU 35 HG LEU 35 2.671 -10.580 -0.059 253 HD11 LEU 35 HD11 LEU 35 3.107 -12.226 -2.512 254 HD12 LEU 35 HD12 LEU 35 3.124 -12.710 -0.817 255 HD13 LEU 35 HD13 LEU 35 4.473 -11.792 -1.484 256 HD21 LEU 35 HD21 LEU 35 4.256 -9.177 -0.927 257 HD22 LEU 35 HD22 LEU 35 2.827 -8.602 -1.787 258 HD23 LEU 35 HD23 LEU 35 3.961 -9.690 -2.589 259 H ALA 36 H ALA 36 1.227 -11.216 1.540 260 HA ALA 36 HA ALA 36 2.519 -13.742 1.449 261 HB1 ALA 36 HB1 ALA 36 2.930 -13.384 3.845 262 HB2 ALA 36 HB2 ALA 36 3.335 -11.963 2.883 263 HB3 ALA 36 HB3 ALA 36 1.838 -11.999 3.814 264 H GLU 37 H GLU 37 -0.620 -12.660 2.567 265 HA GLU 37 HA GLU 37 -1.261 -15.069 3.969 266 HB2 GLU 37 HB2 GLU 37 -2.755 -12.622 3.133 267 HB3 GLU 37 HB3 GLU 37 -3.674 -14.048 3.596 268 HG2 GLU 37 HG2 GLU 37 -2.484 -14.075 5.755 269 HG3 GLU 37 HG3 GLU 37 -1.660 -12.588 5.289 270 H SER 38 H SER 38 -1.758 -13.861 0.710 271 HA SER 38 HA SER 38 -2.558 -14.826 -1.190 272 HB2 SER 38 HB2 SER 38 -1.745 -16.946 -1.674 273 HB3 SER 38 HB3 SER 38 -0.685 -16.468 -0.348 274 HG SER 38 HG SER 38 -1.931 -18.634 -0.372 275 H THR 39 H THR 39 -4.398 -14.377 1.039 276 HA THR 39 HA THR 39 -6.337 -16.549 0.692 277 HB THR 39 HB THR 39 -6.454 -14.212 2.607 278 HG1 THR 39 HG1 THR 39 -4.721 -15.714 3.030 279 HG21 THR 39 HG21 THR 39 -8.071 -15.873 3.757 280 HG22 THR 39 HG22 THR 39 -8.163 -16.637 2.170 281 HG23 THR 39 HG23 THR 39 -8.650 -14.954 2.369 282 H GLU 40 H GLU 40 -6.679 -15.786 -1.554 283 HA GLU 40 HA GLU 40 -8.374 -13.389 -1.699 284 HB2 GLU 40 HB2 GLU 40 -7.962 -13.446 -4.118 285 HB3 GLU 40 HB3 GLU 40 -6.459 -13.371 -3.210 286 HG2 GLU 40 HG2 GLU 40 -7.516 -16.024 -4.052 287 HG3 GLU 40 HG3 GLU 40 -6.719 -14.991 -5.239 288 H ASP 41 H ASP 41 -9.265 -15.982 -0.683 289 HA ASP 41 HA ASP 41 -11.431 -16.457 -2.617 290 HB2 ASP 41 HB2 ASP 41 -11.404 -18.869 -1.797 291 HB3 ASP 41 HB3 ASP 41 -10.074 -18.387 -2.847 292 H VAL 42 H VAL 42 -11.515 -14.669 -0.448 293 HA VAL 42 HA VAL 42 -12.647 -15.792 1.885 294 HB VAL 42 HB VAL 42 -13.126 -13.011 0.812 295 HG11 VAL 42 HG11 VAL 42 -13.064 -13.939 3.673 296 HG12 VAL 42 HG12 VAL 42 -13.634 -12.394 3.039 297 HG13 VAL 42 HG13 VAL 42 -14.544 -13.870 2.718 298 HG21 VAL 42 HG21 VAL 42 -10.781 -14.220 2.215 299 HG22 VAL 42 HG22 VAL 42 -10.817 -13.086 0.865 300 HG23 VAL 42 HG23 VAL 42 -11.195 -12.529 2.495 301 H THR 43 H THR 43 -14.438 -16.985 1.858 302 HA THR 43 HA THR 43 -16.724 -16.036 0.256 303 HB THR 43 HB THR 43 -17.515 -18.369 0.179 304 HG1 THR 43 HG1 THR 43 -16.662 -19.543 1.746 305 HG21 THR 43 HG21 THR 43 -14.694 -17.977 -0.824 306 HG22 THR 43 HG22 THR 43 -16.178 -17.549 -1.676 307 HG23 THR 43 HG23 THR 43 -15.796 -19.242 -1.364 308 H TRP 44 H TRP 44 -17.206 -14.691 2.159 309 HA TRP 44 HA TRP 44 -18.714 -16.237 4.159 310 HB2 TRP 44 HB2 TRP 44 -16.609 -15.357 5.139 311 HB3 TRP 44 HB3 TRP 44 -17.122 -13.725 4.719 312 HD1 TRP 44 HD1 TRP 44 -19.308 -12.765 6.065 313 HE1 TRP 44 HE1 TRP 44 -20.152 -13.295 8.437 314 HE3 TRP 44 HE3 TRP 44 -16.785 -17.139 6.866 315 HZ2 TRP 44 HZ2 TRP 44 -19.795 -15.301 10.392 316 HZ3 TRP 44 HZ3 TRP 44 -17.091 -18.300 9.013 317 HH2 TRP 44 HH2 TRP 44 -18.565 -17.399 10.738 Start of MODEL 2 1 H1 SER 1 H SER 1 -0.085 5.630 -17.029 2 HA SER 1 HA SER 1 -1.938 3.477 -17.788 3 HB2 SER 1 HB2 SER 1 -0.048 2.531 -19.058 4 HB3 SER 1 HB3 SER 1 -0.402 4.182 -19.566 5 HG SER 1 HG SER 1 1.796 4.023 -19.297 6 H HIS 2 H HIS 2 -2.278 2.090 -16.183 7 HA HIS 2 HA HIS 2 -0.619 1.745 -13.945 8 HB2 HIS 2 HB2 HIS 2 -2.052 -0.096 -13.349 9 HB3 HIS 2 HB3 HIS 2 -3.052 1.173 -14.052 10 HD1 HIS 2 HD1 HIS 2 -3.721 0.753 -16.648 11 HD2 HIS 2 HD2 HIS 2 -2.341 -2.535 -14.516 12 HE1 HIS 2 HE1 HIS 2 -4.446 -1.259 -17.972 13 H MET 3 H MET 3 -0.625 0.248 -17.083 14 HA MET 3 HA MET 3 0.788 -2.094 -16.552 15 HB2 MET 3 HB2 MET 3 0.608 -0.320 -18.971 16 HB3 MET 3 HB3 MET 3 1.645 -1.741 -18.970 17 HG2 MET 3 HG2 MET 3 -0.123 -3.204 -18.889 18 HG3 MET 3 HG3 MET 3 -1.207 -2.019 -18.161 19 HE1 MET 3 HE1 MET 3 -3.465 -1.807 -20.208 20 HE2 MET 3 HE2 MET 3 -2.949 -3.042 -21.355 21 HE3 MET 3 HE3 MET 3 -2.713 -3.291 -19.625 22 H GLY 4 H GLY 4 2.830 -2.518 -15.989 23 HA2 GLY 4 HA2 GLY 4 5.201 -2.128 -16.244 24 HA3 GLY 4 HA3 GLY 4 4.855 -0.410 -16.378 25 H ALA 5 H ALA 5 6.631 -0.401 -14.725 26 HA ALA 5 HA ALA 5 5.921 -1.260 -12.059 27 HB1 ALA 5 HB1 ALA 5 8.292 0.244 -13.150 28 HB2 ALA 5 HB2 ALA 5 8.089 -0.159 -11.444 29 HB3 ALA 5 HB3 ALA 5 8.220 -1.444 -12.644 30 H ALA 6 H ALA 6 3.927 0.047 -12.005 31 HA ALA 6 HA ALA 6 4.400 2.905 -11.525 32 HB1 ALA 6 HB1 ALA 6 2.439 3.279 -12.498 33 HB2 ALA 6 HB2 ALA 6 2.388 1.564 -12.913 34 HB3 ALA 6 HB3 ALA 6 1.626 2.135 -11.429 35 H ALA 7 H ALA 7 2.537 3.693 -9.854 36 HA ALA 7 HA ALA 7 2.967 2.086 -7.420 37 HB1 ALA 7 HB1 ALA 7 4.011 4.461 -7.695 38 HB2 ALA 7 HB2 ALA 7 2.382 5.010 -7.302 39 HB3 ALA 7 HB3 ALA 7 3.268 3.992 -6.167 40 H LEU 8 H LEU 8 1.270 1.957 -5.897 41 HA LEU 8 HA LEU 8 -1.383 2.693 -6.945 42 HB2 LEU 8 HB2 LEU 8 -2.132 0.614 -5.601 43 HB3 LEU 8 HB3 LEU 8 -1.417 0.406 -7.199 44 HG LEU 8 HG LEU 8 0.366 0.227 -4.821 45 HD11 LEU 8 HD11 LEU 8 -1.224 -1.206 -3.961 46 HD12 LEU 8 HD12 LEU 8 -0.223 -2.302 -4.912 47 HD13 LEU 8 HD13 LEU 8 -1.764 -1.735 -5.554 48 HD21 LEU 8 HD21 LEU 8 0.676 -1.804 -6.803 49 HD22 LEU 8 HD22 LEU 8 1.780 -0.501 -6.366 50 HD23 LEU 8 HD23 LEU 8 0.545 -0.236 -7.597 51 H ARG 9 H ARG 9 -2.821 3.576 -5.532 52 HA ARG 9 HA ARG 9 -1.774 4.234 -2.873 53 HB2 ARG 9 HB2 ARG 9 -2.687 5.947 -4.663 54 HB3 ARG 9 HB3 ARG 9 -4.246 5.484 -3.993 55 HG2 ARG 9 HG2 ARG 9 -3.577 7.415 -2.829 56 HG3 ARG 9 HG3 ARG 9 -3.307 6.065 -1.725 57 HD2 ARG 9 HD2 ARG 9 -1.345 7.246 -1.490 58 HD3 ARG 9 HD3 ARG 9 -0.906 6.084 -2.742 59 HE ARG 9 HE ARG 9 -1.913 8.561 -3.786 60 HH11 ARG 9 HH11 ARG 9 0.909 6.896 -2.611 61 HH12 ARG 9 HH12 ARG 9 2.024 7.901 -3.477 62 HH21 ARG 9 HH21 ARG 9 -0.456 9.892 -4.931 63 HH22 ARG 9 HH22 ARG 9 1.247 9.606 -4.795 64 H SER 10 H SER 10 -3.280 1.731 -3.901 65 HA SER 10 HA SER 10 -4.903 1.438 -1.518 66 HB2 SER 10 HB2 SER 10 -6.756 0.437 -3.129 67 HB3 SER 10 HB3 SER 10 -6.722 2.156 -2.742 68 HG SER 10 HG SER 10 -6.357 2.555 -4.764 69 H CYS 11 H CYS 11 -5.874 -0.859 -1.482 70 HA CYS 11 HA CYS 11 -3.811 -2.704 -2.479 71 HB2 CYS 11 HB2 CYS 11 -4.277 -2.405 0.050 72 HB3 CYS 11 HB3 CYS 11 -5.737 -3.339 -0.259 73 HA PRO 12 HA PRO 12 -7.418 -3.858 -5.033 74 HB2 PRO 12 HB2 PRO 12 -5.915 -4.828 -7.076 75 HB3 PRO 12 HB3 PRO 12 -6.290 -3.111 -6.890 76 HG2 PRO 12 HG2 PRO 12 -3.803 -4.599 -6.140 77 HG3 PRO 12 HG3 PRO 12 -3.967 -3.017 -6.925 78 HD2 PRO 12 HD2 PRO 12 -3.429 -3.285 -4.285 79 HD3 PRO 12 HD3 PRO 12 -4.377 -1.931 -4.934 80 H MET 13 H MET 13 -4.950 -5.553 -3.460 81 HA MET 13 HA MET 13 -5.524 -8.175 -4.456 82 HB2 MET 13 HB2 MET 13 -3.844 -7.021 -2.290 83 HB3 MET 13 HB3 MET 13 -4.302 -8.712 -2.143 84 HG2 MET 13 HG2 MET 13 -3.362 -9.114 -4.397 85 HG3 MET 13 HG3 MET 13 -2.808 -7.441 -4.422 86 HE1 MET 13 HE1 MET 13 -1.728 -6.479 -2.321 87 HE2 MET 13 HE2 MET 13 -0.431 -7.276 -1.431 88 HE3 MET 13 HE3 MET 13 -0.188 -6.811 -3.115 89 H CYS 14 H CYS 14 -6.602 -6.225 -1.739 90 HA CYS 14 HA CYS 14 -8.588 -8.311 -1.119 91 HB2 CYS 14 HB2 CYS 14 -8.467 -7.713 1.231 92 HB3 CYS 14 HB3 CYS 14 -6.861 -8.140 0.651 93 H GLN 15 H GLN 15 -8.229 -5.407 -2.476 94 HA GLN 15 HA GLN 15 -9.642 -3.700 -2.992 95 HB2 GLN 15 HB2 GLN 15 -11.247 -5.834 -2.916 96 HB3 GLN 15 HB3 GLN 15 -11.940 -4.942 -1.568 97 HG2 GLN 15 HG2 GLN 15 -12.379 -3.048 -2.990 98 HG3 GLN 15 HG3 GLN 15 -11.572 -3.838 -4.343 99 HE21 GLN 15 HE21 GLN 15 -13.571 -3.492 -5.480 100 HE22 GLN 15 HE22 GLN 15 -14.880 -4.599 -5.269 101 H LYS 16 H LYS 16 -8.097 -3.149 -0.910 102 HA LYS 16 HA LYS 16 -9.897 -1.845 1.027 103 HB2 LYS 16 HB2 LYS 16 -8.673 -3.513 2.214 104 HB3 LYS 16 HB3 LYS 16 -7.163 -3.050 1.439 105 HG2 LYS 16 HG2 LYS 16 -7.038 -1.036 2.676 106 HG3 LYS 16 HG3 LYS 16 -8.694 -1.215 3.259 107 HD2 LYS 16 HD2 LYS 16 -8.006 -3.256 4.475 108 HD3 LYS 16 HD3 LYS 16 -6.344 -2.977 3.950 109 HE2 LYS 16 HE2 LYS 16 -7.696 -0.708 5.271 110 HE3 LYS 16 HE3 LYS 16 -7.339 -2.100 6.291 111 HZ1 LYS 16 HZ1 LYS 16 -5.591 -0.097 5.427 112 HZ2 LYS 16 HZ2 LYS 16 -5.084 -1.551 4.727 113 HZ3 LYS 16 HZ3 LYS 16 -5.248 -1.433 6.407 114 H GLU 17 H GLU 17 -9.591 0.295 1.454 115 HA GLU 17 HA GLU 17 -7.775 1.712 -0.340 116 HB2 GLU 17 HB2 GLU 17 -10.257 2.403 1.139 117 HB3 GLU 17 HB3 GLU 17 -9.102 3.701 0.868 118 HG2 GLU 17 HG2 GLU 17 -9.533 2.178 -1.540 119 HG3 GLU 17 HG3 GLU 17 -11.052 2.787 -0.887 120 H PHE 18 H PHE 18 -6.077 2.924 0.319 121 HA PHE 18 HA PHE 18 -5.206 2.579 3.069 122 HB2 PHE 18 HB2 PHE 18 -3.849 3.726 0.625 123 HB3 PHE 18 HB3 PHE 18 -3.100 3.683 2.219 124 HD1 PHE 18 HD2 PHE 18 -3.732 1.100 3.269 125 HD2 PHE 18 HD1 PHE 18 -2.802 2.204 -0.735 126 HE1 PHE 18 HE2 PHE 18 -2.927 -1.184 2.829 127 HE2 PHE 18 HE1 PHE 18 -1.997 -0.077 -1.182 128 HZ PHE 18 HZ PHE 18 -2.059 -1.775 0.601 129 H ALA 19 H ALA 19 -5.055 4.151 4.577 130 HA ALA 19 HA ALA 19 -6.602 6.498 4.294 131 HB1 ALA 19 HB1 ALA 19 -5.088 5.186 6.395 132 HB2 ALA 19 HB2 ALA 19 -4.983 6.944 6.486 133 HB3 ALA 19 HB3 ALA 19 -6.559 6.154 6.496 134 HA PRO 20 HA PRO 20 -3.822 9.506 2.720 135 HB2 PRO 20 HB2 PRO 20 -4.450 11.702 4.187 136 HB3 PRO 20 HB3 PRO 20 -5.514 11.044 2.939 137 HG2 PRO 20 HG2 PRO 20 -5.632 10.688 5.909 138 HG3 PRO 20 HG3 PRO 20 -6.952 10.995 4.766 139 HD2 PRO 20 HD2 PRO 20 -6.413 8.527 5.742 140 HD3 PRO 20 HD3 PRO 20 -7.065 8.787 4.112 141 H ARG 21 H ARG 21 -3.878 9.120 6.223 142 HA ARG 21 HA ARG 21 -1.491 10.556 6.751 143 HB2 ARG 21 HB2 ARG 21 -1.593 9.595 8.956 144 HB3 ARG 21 HB3 ARG 21 -3.223 10.025 8.456 145 HG2 ARG 21 HG2 ARG 21 -3.388 7.560 7.700 146 HG3 ARG 21 HG3 ARG 21 -1.995 7.319 8.755 147 HD2 ARG 21 HD2 ARG 21 -4.622 8.544 9.590 148 HD3 ARG 21 HD3 ARG 21 -4.139 6.875 9.889 149 HE ARG 21 HE ARG 21 -3.328 9.186 11.356 150 HH11 ARG 21 HH11 ARG 21 -2.332 6.012 10.333 151 HH12 ARG 21 HH12 ARG 21 -1.233 5.788 11.654 152 HH21 ARG 21 HH21 ARG 21 -1.886 8.905 13.099 153 HH22 ARG 21 HH22 ARG 21 -0.981 7.435 13.228 154 H LEU 22 H LEU 22 -2.143 7.362 5.607 155 HA LEU 22 HA LEU 22 0.266 6.105 6.375 156 HB2 LEU 22 HB2 LEU 22 -1.678 5.573 4.143 157 HB3 LEU 22 HB3 LEU 22 -0.272 4.555 4.448 158 HG LEU 22 HG LEU 22 -2.496 5.037 6.428 159 HD11 LEU 22 HD11 LEU 22 -2.045 2.469 4.971 160 HD12 LEU 22 HD12 LEU 22 -3.005 3.750 4.232 161 HD13 LEU 22 HD13 LEU 22 -3.496 3.060 5.780 162 HD21 LEU 22 HD21 LEU 22 -1.308 3.867 7.908 163 HD22 LEU 22 HD22 LEU 22 0.079 4.163 6.858 164 HD23 LEU 22 HD23 LEU 22 -0.839 2.663 6.708 165 H THR 23 H THR 23 2.120 5.617 5.125 166 HA THR 23 HA THR 23 2.637 7.542 2.952 167 HB THR 23 HB THR 23 5.109 7.183 3.675 168 HG1 THR 23 HG1 THR 23 5.359 6.621 5.835 169 HG21 THR 23 HG21 THR 23 4.344 9.348 3.929 170 HG22 THR 23 HG22 THR 23 4.695 8.910 5.600 171 HG23 THR 23 HG23 THR 23 3.034 8.871 5.009 172 H GLN 24 H GLN 24 4.700 6.762 1.677 173 HA GLN 24 HA GLN 24 3.995 4.541 0.187 174 HB2 GLN 24 HB2 GLN 24 5.613 6.330 -0.486 175 HB3 GLN 24 HB3 GLN 24 6.810 5.573 0.556 176 HG2 GLN 24 HG2 GLN 24 6.490 3.475 -0.800 177 HG3 GLN 24 HG3 GLN 24 5.554 4.453 -1.929 178 HE21 GLN 24 HE21 GLN 24 6.586 5.832 -3.296 179 HE22 GLN 24 HE22 GLN 24 8.305 5.925 -3.445 180 H LEU 25 H LEU 25 6.022 4.759 3.046 181 HA LEU 25 HA LEU 25 7.032 2.104 2.915 182 HB2 LEU 25 HB2 LEU 25 7.883 2.478 5.096 183 HB3 LEU 25 HB3 LEU 25 8.047 3.988 4.203 184 HG LEU 25 HG LEU 25 5.731 4.499 5.405 185 HD11 LEU 25 HD11 LEU 25 6.877 2.213 6.860 186 HD12 LEU 25 HD12 LEU 25 5.212 2.787 6.770 187 HD13 LEU 25 HD13 LEU 25 6.357 3.572 7.857 188 HD21 LEU 25 HD21 LEU 25 7.200 5.417 7.336 189 HD22 LEU 25 HD22 LEU 25 7.441 6.029 5.699 190 HD23 LEU 25 HD23 LEU 25 8.546 4.824 6.362 191 H ASP 26 H ASP 26 4.190 3.581 4.347 192 HA ASP 26 HA ASP 26 3.413 1.317 5.892 193 HB2 ASP 26 HB2 ASP 26 1.827 3.692 4.897 194 HB3 ASP 26 HB3 ASP 26 1.207 2.487 6.021 195 H VAL 27 H VAL 27 2.415 2.575 2.724 196 HA VAL 27 HA VAL 27 0.428 0.728 2.130 197 HB VAL 27 HB VAL 27 2.375 2.011 0.208 198 HG11 VAL 27 HG11 VAL 27 1.380 0.862 -1.408 199 HG12 VAL 27 HG12 VAL 27 0.362 0.047 -0.220 200 HG13 VAL 27 HG13 VAL 27 -0.171 1.562 -0.949 201 HG21 VAL 27 HG21 VAL 27 1.202 3.675 1.507 202 HG22 VAL 27 HG22 VAL 27 0.556 3.653 -0.133 203 HG23 VAL 27 HG23 VAL 27 -0.342 2.890 1.177 204 H ASP 28 H ASP 28 3.920 0.527 1.540 205 HA ASP 28 HA ASP 28 3.878 -1.954 0.201 206 HB2 ASP 28 HB2 ASP 28 5.943 -0.256 1.492 207 HB3 ASP 28 HB3 ASP 28 6.346 -1.957 1.271 208 H SER 29 H SER 29 4.005 -1.090 3.598 209 HA SER 29 HA SER 29 4.778 -3.529 4.695 210 HB2 SER 29 HB2 SER 29 4.245 -1.170 5.785 211 HB3 SER 29 HB3 SER 29 2.677 -1.919 6.082 212 HG SER 29 HG SER 29 3.670 -2.700 7.769 213 H HIS 30 H HIS 30 1.480 -2.325 4.085 214 HA HIS 30 HA HIS 30 0.207 -4.743 4.854 215 HB2 HIS 30 HB2 HIS 30 -0.940 -2.554 4.845 216 HB3 HIS 30 HB3 HIS 30 -0.840 -2.521 3.087 217 HD1 HIS 30 HD1 HIS 30 -3.132 -3.309 5.672 218 HD2 HIS 30 HD2 HIS 30 -2.213 -5.005 1.991 219 HE1 HIS 30 HE1 HIS 30 -5.125 -4.717 5.063 220 H LEU 31 H LEU 31 1.360 -3.462 1.788 221 HA LEU 31 HA LEU 31 0.138 -5.329 0.083 222 HB2 LEU 31 HB2 LEU 31 2.615 -3.653 -0.140 223 HB3 LEU 31 HB3 LEU 31 2.144 -4.769 -1.421 224 HG LEU 31 HG LEU 31 0.463 -2.469 -0.424 225 HD11 LEU 31 HD11 LEU 31 1.047 -1.770 -2.910 226 HD12 LEU 31 HD12 LEU 31 2.502 -2.704 -2.566 227 HD13 LEU 31 HD13 LEU 31 2.078 -1.328 -1.550 228 HD21 LEU 31 HD21 LEU 31 -0.667 -2.993 -2.694 229 HD22 LEU 31 HD22 LEU 31 -1.047 -3.996 -1.294 230 HD23 LEU 31 HD23 LEU 31 0.087 -4.577 -2.516 231 H ALA 32 H ALA 32 2.822 -5.599 2.228 232 HA ALA 32 HA ALA 32 3.947 -7.933 0.948 233 HB1 ALA 32 HB1 ALA 32 5.348 -6.308 2.181 234 HB2 ALA 32 HB2 ALA 32 4.548 -6.798 3.676 235 HB3 ALA 32 HB3 ALA 32 5.520 -7.961 2.773 236 H GLN 33 H GLN 33 2.017 -7.233 3.837 237 HA GLN 33 HA GLN 33 1.890 -9.967 4.670 238 HB2 GLN 33 HB2 GLN 33 0.424 -7.471 5.495 239 HB3 GLN 33 HB3 GLN 33 0.009 -9.047 6.156 240 HG2 GLN 33 HG2 GLN 33 2.564 -9.165 6.689 241 HG3 GLN 33 HG3 GLN 33 2.465 -7.410 6.550 242 HE21 GLN 33 HE21 GLN 33 3.005 -7.263 8.765 243 HE22 GLN 33 HE22 GLN 33 1.823 -7.556 9.991 244 H CYS 34 H CYS 34 -0.069 -7.864 2.564 245 HA CYS 34 HA CYS 34 -2.336 -9.548 2.613 246 HB2 CYS 34 HB2 CYS 34 -2.014 -7.023 1.843 247 HB3 CYS 34 HB3 CYS 34 -1.758 -7.763 0.275 248 H LEU 35 H LEU 35 0.575 -9.211 0.662 249 HA LEU 35 HA LEU 35 -0.036 -10.915 -1.460 250 HB2 LEU 35 HB2 LEU 35 2.480 -9.975 -0.179 251 HB3 LEU 35 HB3 LEU 35 2.573 -11.301 -1.335 252 HG LEU 35 HG LEU 35 1.306 -8.654 -1.999 253 HD11 LEU 35 HD11 LEU 35 3.297 -7.762 -2.665 254 HD12 LEU 35 HD12 LEU 35 4.047 -9.337 -2.919 255 HD13 LEU 35 HD13 LEU 35 3.845 -8.711 -1.283 256 HD21 LEU 35 HD21 LEU 35 2.540 -10.683 -3.840 257 HD22 LEU 35 HD22 LEU 35 1.447 -9.355 -4.237 258 HD23 LEU 35 HD23 LEU 35 0.846 -10.759 -3.353 259 H ALA 36 H ALA 36 1.478 -11.633 1.669 260 HA ALA 36 HA ALA 36 1.974 -14.354 1.229 261 HB1 ALA 36 HB1 ALA 36 1.335 -13.977 3.966 262 HB2 ALA 36 HB2 ALA 36 2.927 -14.112 3.216 263 HB3 ALA 36 HB3 ALA 36 2.167 -12.530 3.397 264 H GLU 37 H GLU 37 -0.891 -12.682 2.452 265 HA GLU 37 HA GLU 37 -2.367 -14.893 3.286 266 HB2 GLU 37 HB2 GLU 37 -3.345 -12.303 2.070 267 HB3 GLU 37 HB3 GLU 37 -4.363 -13.464 2.910 268 HG2 GLU 37 HG2 GLU 37 -1.975 -12.352 4.298 269 HG3 GLU 37 HG3 GLU 37 -3.430 -11.367 4.148 270 H SER 38 H SER 38 -1.823 -13.587 0.085 271 HA SER 38 HA SER 38 -2.423 -14.288 -1.999 272 HB2 SER 38 HB2 SER 38 -2.046 -16.536 -2.444 273 HB3 SER 38 HB3 SER 38 -1.198 -16.338 -0.911 274 HG SER 38 HG SER 38 -2.565 -18.186 -0.935 275 H THR 39 H THR 39 -4.541 -13.405 -0.222 276 HA THR 39 HA THR 39 -6.822 -15.096 -0.631 277 HB THR 39 HB THR 39 -7.042 -12.184 0.058 278 HG1 THR 39 HG1 THR 39 -6.542 -12.718 2.209 279 HG21 THR 39 HG21 THR 39 -8.792 -13.189 1.617 280 HG22 THR 39 HG22 THR 39 -8.559 -14.695 0.729 281 HG23 THR 39 HG23 THR 39 -9.137 -13.256 -0.110 282 H GLU 40 H GLU 40 -5.135 -12.957 -2.598 283 HA GLU 40 HA GLU 40 -7.309 -11.851 -4.078 284 HB2 GLU 40 HB2 GLU 40 -4.799 -11.100 -3.908 285 HB3 GLU 40 HB3 GLU 40 -4.580 -12.210 -5.254 286 HG2 GLU 40 HG2 GLU 40 -6.726 -10.146 -5.382 287 HG3 GLU 40 HG3 GLU 40 -5.051 -9.692 -5.691 288 H ASP 41 H ASP 41 -8.568 -13.785 -4.432 289 HA ASP 41 HA ASP 41 -7.599 -15.318 -6.752 290 HB2 ASP 41 HB2 ASP 41 -9.255 -16.386 -4.455 291 HB3 ASP 41 HB3 ASP 41 -8.792 -17.293 -5.894 292 H VAL 42 H VAL 42 -9.193 -12.919 -6.724 293 HA VAL 42 HA VAL 42 -11.864 -13.869 -7.460 294 HB VAL 42 HB VAL 42 -11.772 -11.950 -5.942 295 HG11 VAL 42 HG11 VAL 42 -10.426 -10.190 -6.218 296 HG12 VAL 42 HG12 VAL 42 -9.624 -11.141 -7.470 297 HG13 VAL 42 HG13 VAL 42 -10.891 -9.995 -7.907 298 HG21 VAL 42 HG21 VAL 42 -13.516 -10.837 -6.912 299 HG22 VAL 42 HG22 VAL 42 -12.731 -10.748 -8.488 300 HG23 VAL 42 HG23 VAL 42 -13.463 -12.261 -7.951 301 H THR 43 H THR 43 -12.509 -14.020 -9.511 302 HA THR 43 HA THR 43 -10.744 -12.923 -11.598 303 HB THR 43 HB THR 43 -11.495 -14.663 -13.079 304 HG1 THR 43 HG1 THR 43 -13.124 -15.672 -10.976 305 HG21 THR 43 HG21 THR 43 -10.101 -15.158 -10.669 306 HG22 THR 43 HG22 THR 43 -9.990 -16.043 -12.191 307 HG23 THR 43 HG23 THR 43 -11.146 -16.547 -10.958 308 H TRP 44 H TRP 44 -13.983 -13.024 -10.361 309 HA TRP 44 HA TRP 44 -15.239 -11.918 -12.685 310 HB2 TRP 44 HB2 TRP 44 -16.330 -13.284 -10.787 311 HB3 TRP 44 HB3 TRP 44 -16.351 -11.767 -9.891 312 HD1 TRP 44 HD1 TRP 44 -17.432 -12.777 -13.495 313 HE1 TRP 44 HE1 TRP 44 -19.744 -11.735 -13.938 314 HE3 TRP 44 HE3 TRP 44 -18.137 -10.431 -9.008 315 HZ2 TRP 44 HZ2 TRP 44 -21.618 -10.129 -12.566 316 HZ3 TRP 44 HZ3 TRP 44 -20.216 -9.162 -8.654 317 HH2 TRP 44 HH2 TRP 44 -21.919 -9.015 -10.398 Start of MODEL 3 1 H1 SER 1 H SER 1 -9.028 5.322 -17.940 2 HA SER 1 HA SER 1 -7.920 6.545 -15.497 3 HB2 SER 1 HB2 SER 1 -6.921 4.357 -14.982 4 HB3 SER 1 HB3 SER 1 -8.675 4.236 -15.119 5 HG SER 1 HG SER 1 -6.688 3.359 -16.916 6 H HIS 2 H HIS 2 -6.691 8.053 -16.677 7 HA HIS 2 HA HIS 2 -4.876 7.262 -18.732 8 HB2 HIS 2 HB2 HIS 2 -5.895 9.586 -18.349 9 HB3 HIS 2 HB3 HIS 2 -4.663 9.790 -17.107 10 HD1 HIS 2 HD1 HIS 2 -4.434 8.427 -20.659 11 HD2 HIS 2 HD2 HIS 2 -2.738 11.324 -18.210 12 HE1 HIS 2 HE1 HIS 2 -2.631 9.505 -22.041 13 H MET 3 H MET 3 -2.573 7.283 -18.635 14 HA MET 3 HA MET 3 -1.519 5.940 -16.376 15 HB2 MET 3 HB2 MET 3 -0.010 7.280 -18.628 16 HB3 MET 3 HB3 MET 3 0.622 6.057 -17.532 17 HG2 MET 3 HG2 MET 3 -1.268 4.570 -18.435 18 HG3 MET 3 HG3 MET 3 -1.376 5.753 -19.737 19 HE1 MET 3 HE1 MET 3 0.728 5.323 -22.077 20 HE2 MET 3 HE2 MET 3 0.190 3.644 -22.013 21 HE3 MET 3 HE3 MET 3 -0.921 4.943 -21.577 22 H GLY 4 H GLY 4 -1.648 7.130 -14.512 23 HA2 GLY 4 HA2 GLY 4 -0.496 9.820 -14.479 24 HA3 GLY 4 HA3 GLY 4 -1.431 9.077 -13.189 25 H ALA 5 H ALA 5 -0.388 7.393 -11.916 26 HA ALA 5 HA ALA 5 2.504 7.888 -11.693 27 HB1 ALA 5 HB1 ALA 5 2.264 7.117 -9.356 28 HB2 ALA 5 HB2 ALA 5 1.287 8.540 -9.717 29 HB3 ALA 5 HB3 ALA 5 0.527 6.953 -9.617 30 H ALA 6 H ALA 6 3.712 5.976 -10.682 31 HA ALA 6 HA ALA 6 2.973 3.564 -12.187 32 HB1 ALA 6 HB1 ALA 6 5.292 2.935 -12.099 33 HB2 ALA 6 HB2 ALA 6 5.172 4.601 -12.668 34 HB3 ALA 6 HB3 ALA 6 5.653 4.270 -11.003 35 H ALA 7 H ALA 7 2.360 4.662 -9.271 36 HA ALA 7 HA ALA 7 2.819 2.061 -7.960 37 HB1 ALA 7 HB1 ALA 7 3.052 3.177 -5.843 38 HB2 ALA 7 HB2 ALA 7 4.184 3.890 -6.991 39 HB3 ALA 7 HB3 ALA 7 2.695 4.739 -6.580 40 H LEU 8 H LEU 8 1.254 1.836 -6.003 41 HA LEU 8 HA LEU 8 -1.436 2.628 -6.911 42 HB2 LEU 8 HB2 LEU 8 -2.145 0.544 -5.600 43 HB3 LEU 8 HB3 LEU 8 -1.379 0.325 -7.173 44 HG LEU 8 HG LEU 8 0.331 0.210 -4.737 45 HD11 LEU 8 HD11 LEU 8 -0.301 -2.393 -5.042 46 HD12 LEU 8 HD12 LEU 8 -1.866 -1.644 -5.362 47 HD13 LEU 8 HD13 LEU 8 -1.036 -1.333 -3.837 48 HD21 LEU 8 HD21 LEU 8 1.085 -1.796 -6.368 49 HD22 LEU 8 HD22 LEU 8 1.696 -0.145 -6.495 50 HD23 LEU 8 HD23 LEU 8 0.383 -0.684 -7.544 51 H ARG 9 H ARG 9 -2.796 3.572 -5.485 52 HA ARG 9 HA ARG 9 -1.703 4.191 -2.837 53 HB2 ARG 9 HB2 ARG 9 -2.635 5.919 -4.607 54 HB3 ARG 9 HB3 ARG 9 -4.181 5.473 -3.899 55 HG2 ARG 9 HG2 ARG 9 -3.485 7.381 -2.732 56 HG3 ARG 9 HG3 ARG 9 -3.148 6.027 -1.651 57 HD2 ARG 9 HD2 ARG 9 -1.266 7.502 -1.610 58 HD3 ARG 9 HD3 ARG 9 -0.800 6.039 -2.476 59 HE ARG 9 HE ARG 9 -0.476 7.304 -4.351 60 HH11 ARG 9 HH11 ARG 9 -2.408 9.112 -2.089 61 HH12 ARG 9 HH12 ARG 9 -2.366 10.572 -3.022 62 HH21 ARG 9 HH21 ARG 9 -0.414 9.220 -5.587 63 HH22 ARG 9 HH22 ARG 9 -1.232 10.632 -5.011 64 H SER 10 H SER 10 -3.256 1.711 -3.851 65 HA SER 10 HA SER 10 -4.841 1.425 -1.440 66 HB2 SER 10 HB2 SER 10 -6.708 0.429 -3.074 67 HB3 SER 10 HB3 SER 10 -6.695 2.126 -2.593 68 HG SER 10 HG SER 10 -6.235 2.675 -4.573 69 H CYS 11 H CYS 11 -5.869 -0.868 -1.441 70 HA CYS 11 HA CYS 11 -3.816 -2.728 -2.438 71 HB2 CYS 11 HB2 CYS 11 -4.354 -2.429 0.100 72 HB3 CYS 11 HB3 CYS 11 -5.767 -3.414 -0.263 73 HA PRO 12 HA PRO 12 -7.407 -3.814 -5.040 74 HB2 PRO 12 HB2 PRO 12 -5.894 -4.795 -7.070 75 HB3 PRO 12 HB3 PRO 12 -6.243 -3.073 -6.878 76 HG2 PRO 12 HG2 PRO 12 -3.790 -4.606 -6.106 77 HG3 PRO 12 HG3 PRO 12 -3.918 -3.018 -6.883 78 HD2 PRO 12 HD2 PRO 12 -3.420 -3.310 -4.238 79 HD3 PRO 12 HD3 PRO 12 -4.337 -1.937 -4.891 80 H MET 13 H MET 13 -4.982 -5.559 -3.454 81 HA MET 13 HA MET 13 -5.619 -8.165 -4.468 82 HB2 MET 13 HB2 MET 13 -3.953 -7.124 -2.202 83 HB3 MET 13 HB3 MET 13 -4.330 -8.839 -2.302 84 HG2 MET 13 HG2 MET 13 -3.377 -8.814 -4.621 85 HG3 MET 13 HG3 MET 13 -2.821 -7.173 -4.294 86 HE1 MET 13 HE1 MET 13 0.257 -7.520 -2.239 87 HE2 MET 13 HE2 MET 13 -0.530 -6.725 -3.601 88 HE3 MET 13 HE3 MET 13 -1.273 -6.677 -2.001 89 H CYS 14 H CYS 14 -6.673 -6.166 -1.795 90 HA CYS 14 HA CYS 14 -8.683 -8.213 -1.138 91 HB2 CYS 14 HB2 CYS 14 -8.501 -7.674 1.217 92 HB3 CYS 14 HB3 CYS 14 -6.913 -8.121 0.604 93 H GLN 15 H GLN 15 -8.359 -5.423 -2.589 94 HA GLN 15 HA GLN 15 -9.692 -3.632 -3.022 95 HB2 GLN 15 HB2 GLN 15 -11.624 -5.596 -1.846 96 HB3 GLN 15 HB3 GLN 15 -12.162 -3.964 -2.220 97 HG2 GLN 15 HG2 GLN 15 -11.332 -4.317 -4.552 98 HG3 GLN 15 HG3 GLN 15 -11.048 -6.005 -4.126 99 HE21 GLN 15 HE21 GLN 15 -12.893 -4.696 -6.060 100 HE22 GLN 15 HE22 GLN 15 -14.458 -5.319 -5.675 101 H LYS 16 H LYS 16 -8.077 -3.131 -0.978 102 HA LYS 16 HA LYS 16 -9.776 -1.849 1.061 103 HB2 LYS 16 HB2 LYS 16 -8.339 -3.511 2.067 104 HB3 LYS 16 HB3 LYS 16 -6.929 -2.845 1.252 105 HG2 LYS 16 HG2 LYS 16 -7.113 -0.805 2.558 106 HG3 LYS 16 HG3 LYS 16 -8.564 -1.427 3.348 107 HD2 LYS 16 HD2 LYS 16 -7.337 -3.147 4.434 108 HD3 LYS 16 HD3 LYS 16 -5.903 -2.836 3.452 109 HE2 LYS 16 HE2 LYS 16 -5.914 -0.504 4.487 110 HE3 LYS 16 HE3 LYS 16 -7.071 -1.150 5.650 111 HZ1 LYS 16 HZ1 LYS 16 -5.076 -1.479 6.710 112 HZ2 LYS 16 HZ2 LYS 16 -4.232 -1.830 5.286 113 HZ3 LYS 16 HZ3 LYS 16 -5.283 -2.977 5.950 114 H GLU 17 H GLU 17 -9.287 0.273 1.707 115 HA GLU 17 HA GLU 17 -7.710 1.777 -0.269 116 HB2 GLU 17 HB2 GLU 17 -10.034 2.597 1.473 117 HB3 GLU 17 HB3 GLU 17 -9.060 3.749 0.572 118 HG2 GLU 17 HG2 GLU 17 -9.689 2.683 -1.516 119 HG3 GLU 17 HG3 GLU 17 -10.627 1.480 -0.633 120 H PHE 18 H PHE 18 -5.924 2.803 0.354 121 HA PHE 18 HA PHE 18 -5.101 2.650 3.120 122 HB2 PHE 18 HB2 PHE 18 -3.706 3.735 0.666 123 HB3 PHE 18 HB3 PHE 18 -2.974 3.639 2.264 124 HD1 PHE 18 HD2 PHE 18 -3.769 1.046 3.243 125 HD2 PHE 18 HD1 PHE 18 -2.637 2.217 -0.690 126 HE1 PHE 18 HE2 PHE 18 -3.042 -1.256 2.770 127 HE2 PHE 18 HE1 PHE 18 -1.910 -0.084 -1.169 128 HZ PHE 18 HZ PHE 18 -2.111 -1.825 0.562 129 H ALA 19 H ALA 19 -5.157 4.242 4.578 130 HA ALA 19 HA ALA 19 -6.606 6.606 4.130 131 HB1 ALA 19 HB1 ALA 19 -5.167 7.170 6.374 132 HB2 ALA 19 HB2 ALA 19 -6.672 6.249 6.341 133 HB3 ALA 19 HB3 ALA 19 -5.121 5.406 6.350 134 HA PRO 20 HA PRO 20 -3.718 9.522 2.578 135 HB2 PRO 20 HB2 PRO 20 -4.382 11.778 3.934 136 HB3 PRO 20 HB3 PRO 20 -5.398 11.087 2.664 137 HG2 PRO 20 HG2 PRO 20 -5.653 10.842 5.637 138 HG3 PRO 20 HG3 PRO 20 -6.917 11.121 4.425 139 HD2 PRO 20 HD2 PRO 20 -6.454 8.685 5.512 140 HD3 PRO 20 HD3 PRO 20 -7.030 8.893 3.846 141 H ARG 21 H ARG 21 -3.920 9.208 6.075 142 HA ARG 21 HA ARG 21 -1.551 10.657 6.672 143 HB2 ARG 21 HB2 ARG 21 -1.728 9.655 8.893 144 HB3 ARG 21 HB3 ARG 21 -3.293 10.244 8.348 145 HG2 ARG 21 HG2 ARG 21 -4.103 8.079 7.966 146 HG3 ARG 21 HG3 ARG 21 -2.485 7.375 8.022 147 HD2 ARG 21 HD2 ARG 21 -2.394 7.423 10.309 148 HD3 ARG 21 HD3 ARG 21 -3.480 8.807 10.429 149 HE ARG 21 HE ARG 21 -4.209 6.070 10.539 150 HH11 ARG 21 HH11 ARG 21 -5.287 9.163 9.360 151 HH12 ARG 21 HH12 ARG 21 -6.968 8.749 9.428 152 HH21 ARG 21 HH21 ARG 21 -6.419 5.513 10.633 153 HH22 ARG 21 HH22 ARG 21 -7.611 6.673 10.153 154 H LEU 22 H LEU 22 -2.181 7.427 5.605 155 HA LEU 22 HA LEU 22 0.171 6.167 6.501 156 HB2 LEU 22 HB2 LEU 22 -1.658 5.636 4.176 157 HB3 LEU 22 HB3 LEU 22 -0.268 4.614 4.539 158 HG LEU 22 HG LEU 22 -2.545 5.105 6.455 159 HD11 LEU 22 HD11 LEU 22 -2.103 2.622 4.824 160 HD12 LEU 22 HD12 LEU 22 -3.161 3.928 4.291 161 HD13 LEU 22 HD13 LEU 22 -3.509 3.069 5.791 162 HD21 LEU 22 HD21 LEU 22 -0.924 2.686 6.681 163 HD22 LEU 22 HD22 LEU 22 -1.445 3.824 7.923 164 HD23 LEU 22 HD23 LEU 22 -0.017 4.176 6.946 165 H THR 23 H THR 23 2.085 5.631 5.354 166 HA THR 23 HA THR 23 2.795 7.608 3.286 167 HB THR 23 HB THR 23 5.206 6.980 4.045 168 HG1 THR 23 HG1 THR 23 5.010 6.570 6.459 169 HG21 THR 23 HG21 THR 23 5.206 8.773 5.649 170 HG22 THR 23 HG22 THR 23 3.473 8.589 5.919 171 HG23 THR 23 HG23 THR 23 4.066 9.176 4.365 172 H GLN 24 H GLN 24 4.858 6.740 2.038 173 HA GLN 24 HA GLN 24 3.998 4.670 0.381 174 HB2 GLN 24 HB2 GLN 24 6.205 4.737 -0.615 175 HB3 GLN 24 HB3 GLN 24 5.669 6.375 -0.261 176 HG2 GLN 24 HG2 GLN 24 7.017 6.264 1.845 177 HG3 GLN 24 HG3 GLN 24 7.673 4.735 1.263 178 HE21 GLN 24 HE21 GLN 24 9.644 6.163 1.606 179 HE22 GLN 24 HE22 GLN 24 10.196 7.043 0.226 180 H LEU 25 H LEU 25 6.006 4.613 3.255 181 HA LEU 25 HA LEU 25 6.897 1.926 2.957 182 HB2 LEU 25 HB2 LEU 25 7.748 2.120 5.163 183 HB3 LEU 25 HB3 LEU 25 7.999 3.669 4.360 184 HG LEU 25 HG LEU 25 5.697 4.224 5.582 185 HD11 LEU 25 HD11 LEU 25 5.143 2.366 6.775 186 HD12 LEU 25 HD12 LEU 25 6.149 3.184 7.970 187 HD13 LEU 25 HD13 LEU 25 6.821 1.872 7.002 188 HD21 LEU 25 HD21 LEU 25 8.536 4.427 6.434 189 HD22 LEU 25 HD22 LEU 25 7.286 4.873 7.596 190 HD23 LEU 25 HD23 LEU 25 7.377 5.697 6.039 191 H ASP 26 H ASP 26 4.101 3.439 4.422 192 HA ASP 26 HA ASP 26 3.209 1.172 5.881 193 HB2 ASP 26 HB2 ASP 26 1.921 3.727 4.971 194 HB3 ASP 26 HB3 ASP 26 0.947 2.451 5.697 195 H VAL 27 H VAL 27 2.377 2.476 2.688 196 HA VAL 27 HA VAL 27 0.362 0.690 2.002 197 HB VAL 27 HB VAL 27 2.413 1.940 0.170 198 HG11 VAL 27 HG11 VAL 27 1.452 0.839 -1.499 199 HG12 VAL 27 HG12 VAL 27 0.381 0.025 -0.357 200 HG13 VAL 27 HG13 VAL 27 -0.103 1.559 -1.082 201 HG21 VAL 27 HG21 VAL 27 0.118 3.339 -0.183 202 HG22 VAL 27 HG22 VAL 27 0.020 2.964 1.537 203 HG23 VAL 27 HG23 VAL 27 1.422 3.825 0.901 204 H ASP 28 H ASP 28 3.856 0.437 1.368 205 HA ASP 28 HA ASP 28 3.750 -2.079 0.106 206 HB2 ASP 28 HB2 ASP 28 5.870 -0.369 1.287 207 HB3 ASP 28 HB3 ASP 28 6.250 -2.078 1.097 208 H SER 29 H SER 29 3.989 -1.127 3.473 209 HA SER 29 HA SER 29 4.788 -3.521 4.627 210 HB2 SER 29 HB2 SER 29 4.228 -1.139 5.653 211 HB3 SER 29 HB3 SER 29 2.681 -1.910 6.000 212 HG SER 29 HG SER 29 3.658 -2.755 7.647 213 H HIS 30 H HIS 30 1.476 -2.392 3.972 214 HA HIS 30 HA HIS 30 0.282 -4.853 4.808 215 HB2 HIS 30 HB2 HIS 30 -0.934 -2.722 4.940 216 HB3 HIS 30 HB3 HIS 30 -0.881 -2.579 3.186 217 HD1 HIS 30 HD1 HIS 30 -3.086 -3.578 5.772 218 HD2 HIS 30 HD2 HIS 30 -2.226 -5.026 1.974 219 HE1 HIS 30 HE1 HIS 30 -5.061 -4.993 5.129 220 H LEU 31 H LEU 31 1.277 -3.465 1.738 221 HA LEU 31 HA LEU 31 0.002 -5.259 0.009 222 HB2 LEU 31 HB2 LEU 31 2.470 -3.581 -0.198 223 HB3 LEU 31 HB3 LEU 31 2.042 -4.699 -1.492 224 HG LEU 31 HG LEU 31 0.350 -2.400 -0.511 225 HD11 LEU 31 HD11 LEU 31 1.920 -2.747 -3.062 226 HD12 LEU 31 HD12 LEU 31 2.331 -1.665 -1.732 227 HD13 LEU 31 HD13 LEU 31 0.863 -1.390 -2.670 228 HD21 LEU 31 HD21 LEU 31 -0.250 -4.740 -2.113 229 HD22 LEU 31 HD22 LEU 31 -0.558 -3.239 -2.988 230 HD23 LEU 31 HD23 LEU 31 -1.335 -3.529 -1.430 231 H ALA 32 H ALA 32 2.808 -5.615 2.012 232 HA ALA 32 HA ALA 32 3.766 -7.979 0.649 233 HB1 ALA 32 HB1 ALA 32 4.681 -7.186 3.378 234 HB2 ALA 32 HB2 ALA 32 5.593 -7.908 2.051 235 HB3 ALA 32 HB3 ALA 32 5.134 -6.206 1.984 236 H GLN 33 H GLN 33 1.987 -7.204 3.598 237 HA GLN 33 HA GLN 33 1.907 -9.908 4.533 238 HB2 GLN 33 HB2 GLN 33 0.382 -7.427 5.321 239 HB3 GLN 33 HB3 GLN 33 0.148 -8.985 6.103 240 HG2 GLN 33 HG2 GLN 33 2.678 -8.925 6.521 241 HG3 GLN 33 HG3 GLN 33 2.554 -7.208 6.137 242 HE21 GLN 33 HE21 GLN 33 0.173 -6.538 7.264 243 HE22 GLN 33 HE22 GLN 33 0.254 -6.729 8.980 244 H CYS 34 H CYS 34 -0.121 -7.895 2.412 245 HA CYS 34 HA CYS 34 -2.412 -9.507 2.617 246 HB2 CYS 34 HB2 CYS 34 -2.024 -7.078 1.615 247 HB3 CYS 34 HB3 CYS 34 -1.812 -7.962 0.117 248 H LEU 35 H LEU 35 0.185 -9.232 0.193 249 HA LEU 35 HA LEU 35 -0.586 -11.389 -1.424 250 HB2 LEU 35 HB2 LEU 35 1.354 -11.041 -2.586 251 HB3 LEU 35 HB3 LEU 35 1.155 -9.481 -1.789 252 HG LEU 35 HG LEU 35 2.712 -10.646 0.026 253 HD11 LEU 35 HD11 LEU 35 4.455 -11.781 -1.733 254 HD12 LEU 35 HD12 LEU 35 2.901 -12.346 -2.348 255 HD13 LEU 35 HD13 LEU 35 3.358 -12.670 -0.676 256 HD21 LEU 35 HD21 LEU 35 3.001 -8.589 -1.587 257 HD22 LEU 35 HD22 LEU 35 4.100 -9.683 -2.428 258 HD23 LEU 35 HD23 LEU 35 4.383 -9.277 -0.734 259 H ALA 36 H ALA 36 1.181 -11.254 1.564 260 HA ALA 36 HA ALA 36 2.438 -13.778 1.438 261 HB1 ALA 36 HB1 ALA 36 2.549 -13.567 3.930 262 HB2 ALA 36 HB2 ALA 36 3.203 -12.190 3.044 263 HB3 ALA 36 HB3 ALA 36 1.605 -12.084 3.786 264 H GLU 37 H GLU 37 -0.768 -12.754 2.457 265 HA GLU 37 HA GLU 37 -1.439 -15.464 3.310 266 HB2 GLU 37 HB2 GLU 37 -3.541 -14.496 4.090 267 HB3 GLU 37 HB3 GLU 37 -2.170 -13.592 4.717 268 HG2 GLU 37 HG2 GLU 37 -2.568 -11.779 3.303 269 HG3 GLU 37 HG3 GLU 37 -3.614 -12.721 2.242 270 H SER 38 H SER 38 -1.910 -13.285 0.661 271 HA SER 38 HA SER 38 -4.208 -14.419 -0.494 272 HB2 SER 38 HB2 SER 38 -2.928 -12.226 -1.086 273 HB3 SER 38 HB3 SER 38 -1.995 -13.263 -2.164 274 HG SER 38 HG SER 38 -4.366 -12.195 -2.604 275 H THR 39 H THR 39 -1.011 -15.587 -0.229 276 HA THR 39 HA THR 39 -0.913 -17.219 -2.547 277 HB THR 39 HB THR 39 0.913 -18.425 -1.386 278 HG1 THR 39 HG1 THR 39 0.647 -16.618 0.768 279 HG21 THR 39 HG21 THR 39 1.767 -15.758 -0.694 280 HG22 THR 39 HG22 THR 39 0.864 -15.751 -2.209 281 HG23 THR 39 HG23 THR 39 2.281 -16.786 -2.031 282 H GLU 40 H GLU 40 -2.865 -18.347 -2.699 283 HA GLU 40 HA GLU 40 -3.630 -20.139 -0.541 284 HB2 GLU 40 HB2 GLU 40 -4.905 -19.803 -3.260 285 HB3 GLU 40 HB3 GLU 40 -5.601 -20.608 -1.862 286 HG2 GLU 40 HG2 GLU 40 -5.493 -18.400 -0.669 287 HG3 GLU 40 HG3 GLU 40 -5.072 -17.673 -2.219 288 H ASP 41 H ASP 41 -1.599 -21.368 -0.740 289 HA ASP 41 HA ASP 41 -1.621 -23.252 -3.000 290 HB2 ASP 41 HB2 ASP 41 0.737 -23.763 -2.265 291 HB3 ASP 41 HB3 ASP 41 0.484 -22.126 -2.864 292 H VAL 42 H VAL 42 -3.544 -23.895 -1.341 293 HA VAL 42 HA VAL 42 -2.473 -26.197 0.142 294 HB VAL 42 HB VAL 42 -4.700 -24.406 1.120 295 HG11 VAL 42 HG11 VAL 42 -4.366 -25.860 3.210 296 HG12 VAL 42 HG12 VAL 42 -5.251 -26.554 1.850 297 HG13 VAL 42 HG13 VAL 42 -3.564 -26.993 2.124 298 HG21 VAL 42 HG21 VAL 42 -1.845 -24.295 1.472 299 HG22 VAL 42 HG22 VAL 42 -3.085 -23.167 2.020 300 HG23 VAL 42 HG23 VAL 42 -2.653 -24.556 3.018 301 H THR 43 H THR 43 -3.082 -27.743 -1.295 302 HA THR 43 HA THR 43 -5.624 -27.740 -2.608 303 HB THR 43 HB THR 43 -3.753 -28.803 -3.710 304 HG1 THR 43 HG1 THR 43 -4.748 -30.931 -4.016 305 HG21 THR 43 HG21 THR 43 -2.242 -29.971 -2.564 306 HG22 THR 43 HG22 THR 43 -3.450 -31.218 -2.255 307 HG23 THR 43 HG23 THR 43 -3.251 -29.884 -1.120 308 H TRP 44 H TRP 44 -4.366 -29.064 0.352 309 HA TRP 44 HA TRP 44 -6.731 -30.735 0.735 310 HB2 TRP 44 HB2 TRP 44 -4.286 -30.394 2.486 311 HB3 TRP 44 HB3 TRP 44 -5.573 -31.571 2.730 312 HD1 TRP 44 HD1 TRP 44 -2.280 -31.180 1.085 313 HE1 TRP 44 HE1 TRP 44 -1.783 -33.204 -0.425 314 HE3 TRP 44 HE3 TRP 44 -6.935 -33.293 1.001 315 HZ2 TRP 44 HZ2 TRP 44 -3.179 -35.405 -1.510 316 HZ3 TRP 44 HZ3 TRP 44 -7.271 -35.357 -0.297 317 HH2 TRP 44 HH2 TRP 44 -5.430 -36.389 -1.526 Start of MODEL 4 1 H1 SER 1 H SER 1 14.854 -1.108 -1.010 2 HA SER 1 HA SER 1 13.805 1.177 -1.392 3 HB2 SER 1 HB2 SER 1 16.112 2.376 -1.184 4 HB3 SER 1 HB3 SER 1 15.590 1.295 0.108 5 HG SER 1 HG SER 1 17.833 1.123 -1.003 6 H HIS 2 H HIS 2 13.414 0.236 -3.877 7 HA HIS 2 HA HIS 2 15.104 1.654 -5.760 8 HB2 HIS 2 HB2 HIS 2 12.593 0.034 -6.236 9 HB3 HIS 2 HB3 HIS 2 13.687 0.633 -7.481 10 HD1 HIS 2 HD1 HIS 2 16.155 -0.431 -7.434 11 HD2 HIS 2 HD2 HIS 2 13.264 -2.396 -5.188 12 HE1 HIS 2 HE1 HIS 2 17.100 -2.716 -6.973 13 H MET 3 H MET 3 13.744 2.773 -7.616 14 HA MET 3 HA MET 3 11.427 4.220 -6.760 15 HB2 MET 3 HB2 MET 3 12.465 6.468 -6.877 16 HB3 MET 3 HB3 MET 3 13.063 5.509 -5.530 17 HG2 MET 3 HG2 MET 3 15.033 6.315 -6.286 18 HG3 MET 3 HG3 MET 3 14.929 4.872 -7.291 19 HE1 MET 3 HE1 MET 3 14.002 8.399 -6.834 20 HE2 MET 3 HE2 MET 3 15.313 9.004 -7.848 21 HE3 MET 3 HE3 MET 3 13.651 9.049 -8.436 22 H GLY 4 H GLY 4 10.829 5.931 -8.426 23 HA2 GLY 4 HA2 GLY 4 11.176 6.736 -10.701 24 HA3 GLY 4 HA3 GLY 4 11.845 5.159 -11.089 25 H ALA 5 H ALA 5 9.809 3.654 -9.697 26 HA ALA 5 HA ALA 5 7.720 3.851 -11.726 27 HB1 ALA 5 HB1 ALA 5 9.035 1.700 -10.679 28 HB2 ALA 5 HB2 ALA 5 7.515 1.674 -9.785 29 HB3 ALA 5 HB3 ALA 5 7.501 1.629 -11.548 30 H ALA 6 H ALA 6 5.572 4.179 -11.289 31 HA ALA 6 HA ALA 6 4.929 5.669 -8.957 32 HB1 ALA 6 HB1 ALA 6 2.839 4.486 -10.738 33 HB2 ALA 6 HB2 ALA 6 2.868 6.054 -9.930 34 HB3 ALA 6 HB3 ALA 6 3.894 5.768 -11.335 35 H ALA 7 H ALA 7 3.665 5.137 -7.195 36 HA ALA 7 HA ALA 7 3.405 2.258 -6.683 37 HB1 ALA 7 HB1 ALA 7 3.521 4.612 -4.807 38 HB2 ALA 7 HB2 ALA 7 3.197 2.957 -4.291 39 HB3 ALA 7 HB3 ALA 7 4.741 3.361 -5.042 40 H LEU 8 H LEU 8 1.518 1.643 -5.260 41 HA LEU 8 HA LEU 8 -0.905 2.802 -6.406 42 HB2 LEU 8 HB2 LEU 8 -0.852 0.412 -4.610 43 HB3 LEU 8 HB3 LEU 8 -1.992 0.816 -5.892 44 HG LEU 8 HG LEU 8 0.864 -0.031 -6.367 45 HD11 LEU 8 HD11 LEU 8 -1.639 -1.683 -6.649 46 HD12 LEU 8 HD12 LEU 8 -0.511 -1.803 -5.299 47 HD13 LEU 8 HD13 LEU 8 0.023 -2.201 -6.931 48 HD21 LEU 8 HD21 LEU 8 -0.950 1.261 -8.026 49 HD22 LEU 8 HD22 LEU 8 -1.052 -0.436 -8.497 50 HD23 LEU 8 HD23 LEU 8 0.505 0.394 -8.521 51 H ARG 9 H ARG 9 -2.519 3.734 -5.223 52 HA ARG 9 HA ARG 9 -1.810 4.520 -2.500 53 HB2 ARG 9 HB2 ARG 9 -3.465 5.651 -4.663 54 HB3 ARG 9 HB3 ARG 9 -4.120 5.855 -3.043 55 HG2 ARG 9 HG2 ARG 9 -2.816 7.781 -3.614 56 HG3 ARG 9 HG3 ARG 9 -1.979 6.878 -2.351 57 HD2 ARG 9 HD2 ARG 9 -0.338 6.120 -3.804 58 HD3 ARG 9 HD3 ARG 9 -1.341 6.382 -5.230 59 HE ARG 9 HE ARG 9 -0.627 8.564 -5.300 60 HH11 ARG 9 HH11 ARG 9 0.275 7.137 -2.256 61 HH12 ARG 9 HH12 ARG 9 1.286 8.463 -1.785 62 HH21 ARG 9 HH21 ARG 9 0.700 10.316 -4.692 63 HH22 ARG 9 HH22 ARG 9 1.526 10.272 -3.171 64 H SER 10 H SER 10 -3.246 1.947 -3.718 65 HA SER 10 HA SER 10 -4.891 1.545 -1.364 66 HB2 SER 10 HB2 SER 10 -6.712 0.605 -3.063 67 HB3 SER 10 HB3 SER 10 -6.711 2.294 -2.555 68 HG SER 10 HG SER 10 -5.796 2.872 -4.470 69 H CYS 11 H CYS 11 -5.863 -0.753 -1.445 70 HA CYS 11 HA CYS 11 -3.777 -2.549 -2.484 71 HB2 CYS 11 HB2 CYS 11 -4.334 -2.364 0.048 72 HB3 CYS 11 HB3 CYS 11 -5.761 -3.312 -0.360 73 HA PRO 12 HA PRO 12 -7.284 -3.596 -5.203 74 HB2 PRO 12 HB2 PRO 12 -5.710 -4.534 -7.207 75 HB3 PRO 12 HB3 PRO 12 -6.066 -2.816 -6.988 76 HG2 PRO 12 HG2 PRO 12 -3.637 -4.367 -6.176 77 HG3 PRO 12 HG3 PRO 12 -3.742 -2.761 -6.922 78 HD2 PRO 12 HD2 PRO 12 -3.322 -3.111 -4.271 79 HD3 PRO 12 HD3 PRO 12 -4.220 -1.724 -4.920 80 H MET 13 H MET 13 -4.903 -5.378 -3.587 81 HA MET 13 HA MET 13 -5.502 -7.959 -4.677 82 HB2 MET 13 HB2 MET 13 -3.420 -7.004 -3.256 83 HB3 MET 13 HB3 MET 13 -4.338 -7.760 -1.960 84 HG2 MET 13 HG2 MET 13 -4.365 -9.857 -3.315 85 HG3 MET 13 HG3 MET 13 -3.261 -9.071 -4.440 86 HE1 MET 13 HE1 MET 13 -0.355 -8.226 -1.757 87 HE2 MET 13 HE2 MET 13 -0.939 -7.844 -3.377 88 HE3 MET 13 HE3 MET 13 -1.834 -7.287 -1.962 89 H CYS 14 H CYS 14 -6.523 -6.109 -1.852 90 HA CYS 14 HA CYS 14 -8.595 -8.147 -1.362 91 HB2 CYS 14 HB2 CYS 14 -8.487 -7.655 1.008 92 HB3 CYS 14 HB3 CYS 14 -6.879 -8.083 0.431 93 H GLN 15 H GLN 15 -8.254 -5.325 -2.744 94 HA GLN 15 HA GLN 15 -9.588 -3.534 -3.177 95 HB2 GLN 15 HB2 GLN 15 -11.538 -5.535 -2.096 96 HB3 GLN 15 HB3 GLN 15 -12.075 -3.900 -2.461 97 HG2 GLN 15 HG2 GLN 15 -11.568 -4.133 -4.746 98 HG3 GLN 15 HG3 GLN 15 -10.637 -5.602 -4.468 99 HE21 GLN 15 HE21 GLN 15 -12.173 -7.185 -3.037 100 HE22 GLN 15 HE22 GLN 15 -13.666 -7.531 -3.833 101 H LYS 16 H LYS 16 -8.037 -3.064 -1.077 102 HA LYS 16 HA LYS 16 -9.802 -1.855 0.949 103 HB2 LYS 16 HB2 LYS 16 -8.353 -3.503 1.950 104 HB3 LYS 16 HB3 LYS 16 -6.941 -2.801 1.170 105 HG2 LYS 16 HG2 LYS 16 -7.255 -0.752 2.497 106 HG3 LYS 16 HG3 LYS 16 -8.620 -1.516 3.315 107 HD2 LYS 16 HD2 LYS 16 -7.050 -3.341 4.024 108 HD3 LYS 16 HD3 LYS 16 -5.728 -2.365 3.382 109 HE2 LYS 16 HE2 LYS 16 -7.626 -1.105 5.296 110 HE3 LYS 16 HE3 LYS 16 -6.435 -2.243 5.925 111 HZ1 LYS 16 HZ1 LYS 16 -4.863 -0.752 4.429 112 HZ2 LYS 16 HZ2 LYS 16 -5.216 -0.358 6.034 113 HZ3 LYS 16 HZ3 LYS 16 -6.044 0.408 4.774 114 H GLU 17 H GLU 17 -9.370 0.261 1.655 115 HA GLU 17 HA GLU 17 -7.783 1.843 -0.252 116 HB2 GLU 17 HB2 GLU 17 -10.269 2.431 1.315 117 HB3 GLU 17 HB3 GLU 17 -9.230 3.752 0.797 118 HG2 GLU 17 HG2 GLU 17 -9.442 2.900 -1.539 119 HG3 GLU 17 HG3 GLU 17 -10.644 1.753 -0.946 120 H PHE 18 H PHE 18 -6.023 2.861 0.443 121 HA PHE 18 HA PHE 18 -5.275 2.679 3.224 122 HB2 PHE 18 HB2 PHE 18 -3.840 3.892 0.853 123 HB3 PHE 18 HB3 PHE 18 -3.148 3.712 2.462 124 HD1 PHE 18 HD2 PHE 18 -4.063 1.030 3.212 125 HD2 PHE 18 HD1 PHE 18 -2.590 2.495 -0.503 126 HE1 PHE 18 HE2 PHE 18 -3.294 -1.233 2.628 127 HE2 PHE 18 HE1 PHE 18 -1.820 0.234 -1.093 128 HZ PHE 18 HZ PHE 18 -2.170 -1.634 0.474 129 H ALA 19 H ALA 19 -5.141 4.304 4.693 130 HA ALA 19 HA ALA 19 -6.737 6.619 4.295 131 HB1 ALA 19 HB1 ALA 19 -5.361 5.338 6.491 132 HB2 ALA 19 HB2 ALA 19 -5.195 7.093 6.556 133 HB3 ALA 19 HB3 ALA 19 -6.798 6.361 6.503 134 HA PRO 20 HA PRO 20 -3.907 9.627 2.813 135 HB2 PRO 20 HB2 PRO 20 -4.615 11.839 4.218 136 HB3 PRO 20 HB3 PRO 20 -5.618 11.156 2.931 137 HG2 PRO 20 HG2 PRO 20 -5.870 10.841 5.898 138 HG3 PRO 20 HG3 PRO 20 -7.138 11.122 4.691 139 HD2 PRO 20 HD2 PRO 20 -6.628 8.672 5.725 140 HD3 PRO 20 HD3 PRO 20 -7.207 8.905 4.064 141 H ARG 21 H ARG 21 -3.884 8.736 6.117 142 HA ARG 21 HA ARG 21 -1.618 10.386 6.837 143 HB2 ARG 21 HB2 ARG 21 -1.791 9.402 9.011 144 HB3 ARG 21 HB3 ARG 21 -3.423 9.751 8.458 145 HG2 ARG 21 HG2 ARG 21 -3.624 7.364 7.769 146 HG3 ARG 21 HG3 ARG 21 -2.059 7.072 8.529 147 HD2 ARG 21 HD2 ARG 21 -2.903 7.652 10.676 148 HD3 ARG 21 HD3 ARG 21 -4.401 8.276 9.986 149 HE ARG 21 HE ARG 21 -4.285 5.629 9.243 150 HH11 ARG 21 HH11 ARG 21 -4.315 7.413 12.232 151 HH12 ARG 21 HH12 ARG 21 -5.105 6.157 13.126 152 HH21 ARG 21 HH21 ARG 21 -5.325 3.967 10.408 153 HH22 ARG 21 HH22 ARG 21 -5.679 4.196 12.087 154 H LEU 22 H LEU 22 -2.213 7.191 5.635 155 HA LEU 22 HA LEU 22 0.198 5.958 6.416 156 HB2 LEU 22 HB2 LEU 22 -1.710 5.449 4.150 157 HB3 LEU 22 HB3 LEU 22 -0.280 4.455 4.421 158 HG LEU 22 HG LEU 22 -2.524 4.814 6.406 159 HD11 LEU 22 HD11 LEU 22 -1.938 2.547 4.506 160 HD12 LEU 22 HD12 LEU 22 -3.326 3.634 4.451 161 HD13 LEU 22 HD13 LEU 22 -3.138 2.513 5.799 162 HD21 LEU 22 HD21 LEU 22 0.082 4.002 6.821 163 HD22 LEU 22 HD22 LEU 22 -0.801 2.486 6.644 164 HD23 LEU 22 HD23 LEU 22 -1.298 3.658 7.866 165 H THR 23 H THR 23 2.091 5.530 5.208 166 HA THR 23 HA THR 23 2.667 7.573 3.165 167 HB THR 23 HB THR 23 5.132 6.875 3.857 168 HG1 THR 23 HG1 THR 23 3.696 6.492 6.287 169 HG21 THR 23 HG21 THR 23 3.430 8.697 5.562 170 HG22 THR 23 HG22 THR 23 4.146 9.133 4.011 171 HG23 THR 23 HG23 THR 23 5.182 8.761 5.387 172 H GLN 24 H GLN 24 4.670 6.818 1.788 173 HA GLN 24 HA GLN 24 3.828 4.789 0.099 174 HB2 GLN 24 HB2 GLN 24 6.117 4.847 -0.841 175 HB3 GLN 24 HB3 GLN 24 5.431 6.451 -0.624 176 HG2 GLN 24 HG2 GLN 24 6.699 6.274 1.693 177 HG3 GLN 24 HG3 GLN 24 7.693 5.147 0.773 178 HE21 GLN 24 HE21 GLN 24 9.482 6.492 0.846 179 HE22 GLN 24 HE22 GLN 24 9.585 7.946 -0.082 180 H LEU 25 H LEU 25 6.028 4.647 2.852 181 HA LEU 25 HA LEU 25 6.854 1.964 2.454 182 HB2 LEU 25 HB2 LEU 25 7.790 2.087 4.643 183 HB3 LEU 25 HB3 LEU 25 8.052 3.636 3.844 184 HG LEU 25 HG LEU 25 5.827 4.257 5.159 185 HD11 LEU 25 HD11 LEU 25 6.525 3.068 7.516 186 HD12 LEU 25 HD12 LEU 25 6.739 1.755 6.360 187 HD13 LEU 25 HD13 LEU 25 5.183 2.576 6.484 188 HD21 LEU 25 HD21 LEU 25 8.689 4.284 6.011 189 HD22 LEU 25 HD22 LEU 25 7.442 4.885 7.105 190 HD23 LEU 25 HD23 LEU 25 7.651 5.620 5.515 191 H ASP 26 H ASP 26 4.171 3.449 4.161 192 HA ASP 26 HA ASP 26 3.328 1.185 5.611 193 HB2 ASP 26 HB2 ASP 26 1.902 3.662 4.658 194 HB3 ASP 26 HB3 ASP 26 1.063 2.400 5.557 195 H VAL 27 H VAL 27 2.436 2.403 2.405 196 HA VAL 27 HA VAL 27 0.407 0.602 1.799 197 HB VAL 27 HB VAL 27 2.434 1.812 -0.087 198 HG11 VAL 27 HG11 VAL 27 0.396 -0.128 -0.544 199 HG12 VAL 27 HG12 VAL 27 -0.063 1.380 -1.338 200 HG13 VAL 27 HG13 VAL 27 1.489 0.624 -1.705 201 HG21 VAL 27 HG21 VAL 27 1.408 3.671 0.739 202 HG22 VAL 27 HG22 VAL 27 0.241 3.246 -0.514 203 HG23 VAL 27 HG23 VAL 27 -0.068 2.804 1.165 204 H ASP 28 H ASP 28 3.874 0.341 1.008 205 HA ASP 28 HA ASP 28 3.756 -2.205 -0.150 206 HB2 ASP 28 HB2 ASP 28 5.884 -0.461 0.949 207 HB3 ASP 28 HB3 ASP 28 6.269 -2.177 0.844 208 H SER 29 H SER 29 4.034 -1.190 3.196 209 HA SER 29 HA SER 29 4.835 -3.570 4.382 210 HB2 SER 29 HB2 SER 29 4.323 -1.166 5.374 211 HB3 SER 29 HB3 SER 29 2.767 -1.905 5.754 212 HG SER 29 HG SER 29 4.256 -3.677 6.625 213 H HIS 30 H HIS 30 1.514 -2.409 3.816 214 HA HIS 30 HA HIS 30 0.290 -4.813 4.722 215 HB2 HIS 30 HB2 HIS 30 -0.901 -2.668 4.731 216 HB3 HIS 30 HB3 HIS 30 -0.823 -2.608 2.973 217 HD1 HIS 30 HD1 HIS 30 -3.046 -3.507 5.603 218 HD2 HIS 30 HD2 HIS 30 -2.219 -5.033 1.828 219 HE1 HIS 30 HE1 HIS 30 -5.043 -4.907 4.992 220 H LEU 31 H LEU 31 1.349 -3.627 1.593 221 HA LEU 31 HA LEU 31 0.048 -5.494 -0.042 222 HB2 LEU 31 HB2 LEU 31 2.583 -3.918 -0.345 223 HB3 LEU 31 HB3 LEU 31 2.047 -5.043 -1.591 224 HG LEU 31 HG LEU 31 0.541 -2.610 -0.628 225 HD11 LEU 31 HD11 LEU 31 2.499 -3.074 -2.756 226 HD12 LEU 31 HD12 LEU 31 1.981 -1.572 -1.993 227 HD13 LEU 31 HD13 LEU 31 1.015 -2.282 -3.286 228 HD21 LEU 31 HD21 LEU 31 -0.108 -4.656 -2.746 229 HD22 LEU 31 HD22 LEU 31 -0.946 -3.116 -2.553 230 HD23 LEU 31 HD23 LEU 31 -1.015 -4.325 -1.270 231 H ALA 32 H ALA 32 2.778 -5.802 2.047 232 HA ALA 32 HA ALA 32 3.789 -8.207 0.812 233 HB1 ALA 32 HB1 ALA 32 4.509 -7.270 3.567 234 HB2 ALA 32 HB2 ALA 32 5.489 -8.164 2.406 235 HB3 ALA 32 HB3 ALA 32 5.133 -6.459 2.131 236 H GLN 33 H GLN 33 1.970 -7.381 3.744 237 HA GLN 33 HA GLN 33 1.748 -10.091 4.624 238 HB2 GLN 33 HB2 GLN 33 0.229 -7.606 5.426 239 HB3 GLN 33 HB3 GLN 33 0.080 -9.162 6.229 240 HG2 GLN 33 HG2 GLN 33 2.673 -8.945 6.476 241 HG3 GLN 33 HG3 GLN 33 2.341 -7.229 6.246 242 HE21 GLN 33 HE21 GLN 33 2.894 -9.412 8.531 243 HE22 GLN 33 HE22 GLN 33 1.966 -8.763 9.835 244 H CYS 34 H CYS 34 -0.162 -7.962 2.504 245 HA CYS 34 HA CYS 34 -2.535 -9.437 2.654 246 HB2 CYS 34 HB2 CYS 34 -2.050 -7.061 1.665 247 HB3 CYS 34 HB3 CYS 34 -1.708 -7.928 0.181 248 H LEU 35 H LEU 35 0.208 -9.426 0.390 249 HA LEU 35 HA LEU 35 -0.717 -11.640 -1.152 250 HB2 LEU 35 HB2 LEU 35 1.160 -11.355 -2.440 251 HB3 LEU 35 HB3 LEU 35 0.947 -9.741 -1.766 252 HG LEU 35 HG LEU 35 2.632 -10.705 0.054 253 HD11 LEU 35 HD11 LEU 35 2.876 -12.497 -2.291 254 HD12 LEU 35 HD12 LEU 35 3.166 -12.817 -0.581 255 HD13 LEU 35 HD13 LEU 35 4.369 -11.944 -1.531 256 HD21 LEU 35 HD21 LEU 35 4.127 -9.265 -0.844 257 HD22 LEU 35 HD22 LEU 35 2.747 -8.819 -1.847 258 HD23 LEU 35 HD23 LEU 35 3.965 -9.934 -2.468 259 H ALA 36 H ALA 36 1.224 -11.280 1.708 260 HA ALA 36 HA ALA 36 2.505 -13.802 1.663 261 HB1 ALA 36 HB1 ALA 36 1.824 -11.986 3.970 262 HB2 ALA 36 HB2 ALA 36 2.858 -13.410 4.087 263 HB3 ALA 36 HB3 ALA 36 3.344 -12.048 3.076 264 H GLU 37 H GLU 37 -0.624 -12.714 2.836 265 HA GLU 37 HA GLU 37 -1.213 -15.275 4.062 266 HB2 GLU 37 HB2 GLU 37 -3.322 -14.283 4.706 267 HB3 GLU 37 HB3 GLU 37 -2.020 -13.160 5.065 268 HG2 GLU 37 HG2 GLU 37 -2.574 -11.777 3.238 269 HG3 GLU 37 HG3 GLU 37 -3.648 -12.994 2.549 270 H SER 38 H SER 38 -1.784 -13.624 1.066 271 HA SER 38 HA SER 38 -3.503 -15.848 0.181 272 HB2 SER 38 HB2 SER 38 -4.673 -13.684 0.165 273 HB3 SER 38 HB3 SER 38 -3.417 -13.010 -0.873 274 HG SER 38 HG SER 38 -4.581 -13.737 -2.455 275 H THR 39 H THR 39 -1.081 -16.642 0.021 276 HA THR 39 HA THR 39 0.559 -15.780 -2.076 277 HB THR 39 HB THR 39 1.518 -18.124 -1.986 278 HG1 THR 39 HG1 THR 39 0.536 -19.595 -0.798 279 HG21 THR 39 HG21 THR 39 2.679 -17.713 0.007 280 HG22 THR 39 HG22 THR 39 1.290 -16.929 0.761 281 HG23 THR 39 HG23 THR 39 2.174 -16.111 -0.527 282 H GLU 40 H GLU 40 -0.314 -15.510 -4.061 283 HA GLU 40 HA GLU 40 -1.946 -17.649 -5.207 284 HB2 GLU 40 HB2 GLU 40 -1.477 -14.771 -5.889 285 HB3 GLU 40 HB3 GLU 40 -2.067 -15.868 -7.130 286 HG2 GLU 40 HG2 GLU 40 -3.907 -16.489 -5.501 287 HG3 GLU 40 HG3 GLU 40 -3.390 -15.098 -4.550 288 H ASP 41 H ASP 41 0.368 -18.747 -5.024 289 HA ASP 41 HA ASP 41 1.996 -18.186 -7.378 290 HB2 ASP 41 HB2 ASP 41 3.499 -19.952 -6.415 291 HB3 ASP 41 HB3 ASP 41 3.240 -18.565 -5.358 292 H VAL 42 H VAL 42 -0.424 -19.009 -8.199 293 HA VAL 42 HA VAL 42 -0.312 -21.885 -8.692 294 HB VAL 42 HB VAL 42 -2.424 -19.874 -9.485 295 HG11 VAL 42 HG11 VAL 42 -2.393 -22.887 -9.610 296 HG12 VAL 42 HG12 VAL 42 -3.820 -21.882 -9.878 297 HG13 VAL 42 HG13 VAL 42 -2.442 -21.770 -10.975 298 HG21 VAL 42 HG21 VAL 42 -2.222 -21.775 -7.159 299 HG22 VAL 42 HG22 VAL 42 -2.404 -20.021 -7.114 300 HG23 VAL 42 HG23 VAL 42 -3.737 -21.031 -7.672 301 H THR 43 H THR 43 1.014 -22.451 -10.297 302 HA THR 43 HA THR 43 1.232 -20.756 -12.671 303 HB THR 43 HB THR 43 3.037 -22.505 -13.283 304 HG1 THR 43 HG1 THR 43 3.185 -22.956 -10.512 305 HG21 THR 43 HG21 THR 43 4.030 -20.531 -12.765 306 HG22 THR 43 HG22 THR 43 4.517 -21.416 -11.320 307 HG23 THR 43 HG23 THR 43 3.118 -20.342 -11.267 308 H TRP 44 H TRP 44 -0.084 -23.778 -11.610 309 HA TRP 44 HA TRP 44 -1.422 -24.118 -14.147 310 HB2 TRP 44 HB2 TRP 44 -0.608 -26.326 -14.632 311 HB3 TRP 44 HB3 TRP 44 0.788 -25.268 -14.445 312 HD1 TRP 44 HD1 TRP 44 2.146 -25.501 -12.052 313 HE1 TRP 44 HE1 TRP 44 2.506 -27.578 -10.575 314 HE3 TRP 44 HE3 TRP 44 -1.608 -28.454 -13.875 315 HZ2 TRP 44 HZ2 TRP 44 1.351 -30.131 -10.229 316 HZ3 TRP 44 HZ3 TRP 44 -1.913 -30.700 -12.916 317 HH2 TRP 44 HH2 TRP 44 -0.463 -31.519 -11.132 Start of MODEL 5 1 H1 SER 1 H SER 1 14.403 11.692 -13.177 2 HA SER 1 HA SER 1 16.051 11.039 -10.825 3 HB2 SER 1 HB2 SER 1 14.534 13.513 -11.605 4 HB3 SER 1 HB3 SER 1 14.906 13.191 -9.912 5 HG SER 1 HG SER 1 16.620 13.794 -12.034 6 H HIS 2 H HIS 2 14.341 9.102 -11.313 7 HA HIS 2 HA HIS 2 12.612 9.127 -9.052 8 HB2 HIS 2 HB2 HIS 2 10.494 8.727 -10.330 9 HB3 HIS 2 HB3 HIS 2 11.116 10.368 -10.469 10 HD1 HIS 2 HD1 HIS 2 10.468 7.280 -12.450 11 HD2 HIS 2 HD2 HIS 2 12.044 11.081 -13.029 12 HE1 HIS 2 HE1 HIS 2 10.619 7.573 -14.944 13 H MET 3 H MET 3 11.999 7.074 -8.441 14 HA MET 3 HA MET 3 13.023 4.898 -10.141 15 HB2 MET 3 HB2 MET 3 13.206 3.599 -8.013 16 HB3 MET 3 HB3 MET 3 14.257 5.007 -8.087 17 HG2 MET 3 HG2 MET 3 12.902 6.224 -6.597 18 HG3 MET 3 HG3 MET 3 11.578 5.069 -6.741 19 HE1 MET 3 HE1 MET 3 11.166 3.260 -5.653 20 HE2 MET 3 HE2 MET 3 12.464 2.066 -5.600 21 HE3 MET 3 HE3 MET 3 11.860 2.780 -4.104 22 H GLY 4 H GLY 4 10.393 6.062 -10.407 23 HA2 GLY 4 HA2 GLY 4 8.836 3.766 -10.656 24 HA3 GLY 4 HA3 GLY 4 8.427 4.493 -9.109 25 H ALA 5 H ALA 5 7.747 4.444 -12.383 26 HA ALA 5 HA ALA 5 6.812 7.173 -12.595 27 HB1 ALA 5 HB1 ALA 5 7.700 6.194 -14.581 28 HB2 ALA 5 HB2 ALA 5 6.610 4.813 -14.455 29 HB3 ALA 5 HB3 ALA 5 5.966 6.414 -14.821 30 H ALA 6 H ALA 6 5.388 3.946 -12.278 31 HA ALA 6 HA ALA 6 2.794 5.229 -11.716 32 HB1 ALA 6 HB1 ALA 6 2.498 3.961 -13.673 33 HB2 ALA 6 HB2 ALA 6 3.421 2.602 -13.031 34 HB3 ALA 6 HB3 ALA 6 1.828 2.973 -12.374 35 H ALA 7 H ALA 7 1.653 4.605 -9.915 36 HA ALA 7 HA ALA 7 2.731 2.484 -8.223 37 HB1 ALA 7 HB1 ALA 7 3.753 4.771 -7.639 38 HB2 ALA 7 HB2 ALA 7 2.161 5.151 -6.981 39 HB3 ALA 7 HB3 ALA 7 3.082 3.796 -6.332 40 H LEU 8 H LEU 8 1.259 2.449 -6.108 41 HA LEU 8 HA LEU 8 -1.538 2.781 -6.967 42 HB2 LEU 8 HB2 LEU 8 -2.012 0.695 -5.640 43 HB3 LEU 8 HB3 LEU 8 -1.134 0.471 -7.151 44 HG LEU 8 HG LEU 8 0.969 0.522 -5.589 45 HD11 LEU 8 HD11 LEU 8 -1.108 0.723 -3.696 46 HD12 LEU 8 HD12 LEU 8 0.618 0.522 -3.403 47 HD13 LEU 8 HD13 LEU 8 -0.424 -0.894 -3.540 48 HD21 LEU 8 HD21 LEU 8 0.729 -1.939 -5.281 49 HD22 LEU 8 HD22 LEU 8 0.398 -1.383 -6.921 50 HD23 LEU 8 HD23 LEU 8 -0.937 -1.799 -5.846 51 H ARG 9 H ARG 9 -2.975 3.503 -5.452 52 HA ARG 9 HA ARG 9 -1.820 4.296 -2.862 53 HB2 ARG 9 HB2 ARG 9 -2.794 5.993 -4.639 54 HB3 ARG 9 HB3 ARG 9 -4.329 5.519 -3.924 55 HG2 ARG 9 HG2 ARG 9 -3.687 7.437 -2.759 56 HG3 ARG 9 HG3 ARG 9 -3.278 6.101 -1.681 57 HD2 ARG 9 HD2 ARG 9 -1.433 7.585 -1.641 58 HD3 ARG 9 HD3 ARG 9 -0.946 6.204 -2.626 59 HE ARG 9 HE ARG 9 -1.967 8.079 -4.376 60 HH11 ARG 9 HH11 ARG 9 0.644 7.885 -2.082 61 HH12 ARG 9 HH12 ARG 9 1.661 8.989 -2.949 62 HH21 ARG 9 HH21 ARG 9 -0.638 9.532 -5.526 63 HH22 ARG 9 HH22 ARG 9 0.931 9.926 -4.908 64 H SER 10 H SER 10 -3.362 1.791 -3.884 65 HA SER 10 HA SER 10 -4.900 1.468 -1.448 66 HB2 SER 10 HB2 SER 10 -6.788 0.475 -3.060 67 HB3 SER 10 HB3 SER 10 -6.782 2.166 -2.559 68 HG SER 10 HG SER 10 -6.433 1.085 -5.035 69 H CYS 11 H CYS 11 -5.910 -0.832 -1.454 70 HA CYS 11 HA CYS 11 -3.860 -2.664 -2.503 71 HB2 CYS 11 HB2 CYS 11 -4.350 -2.404 0.043 72 HB3 CYS 11 HB3 CYS 11 -5.778 -3.376 -0.304 73 HA PRO 12 HA PRO 12 -7.469 -3.756 -5.074 74 HB2 PRO 12 HB2 PRO 12 -5.972 -4.723 -7.122 75 HB3 PRO 12 HB3 PRO 12 -6.323 -3.003 -6.918 76 HG2 PRO 12 HG2 PRO 12 -3.861 -4.533 -6.175 77 HG3 PRO 12 HG3 PRO 12 -3.999 -2.941 -6.944 78 HD2 PRO 12 HD2 PRO 12 -3.477 -3.245 -4.304 79 HD3 PRO 12 HD3 PRO 12 -4.403 -1.871 -4.942 80 H MET 13 H MET 13 -5.022 -5.503 -3.521 81 HA MET 13 HA MET 13 -5.657 -8.105 -4.543 82 HB2 MET 13 HB2 MET 13 -3.916 -7.010 -2.390 83 HB3 MET 13 HB3 MET 13 -4.395 -8.699 -2.270 84 HG2 MET 13 HG2 MET 13 -3.503 -9.060 -4.553 85 HG3 MET 13 HG3 MET 13 -2.922 -7.397 -4.546 86 HE1 MET 13 HE1 MET 13 -0.420 -6.747 -3.254 87 HE2 MET 13 HE2 MET 13 -1.847 -6.584 -2.230 88 HE3 MET 13 HE3 MET 13 -0.407 -7.397 -1.614 89 H CYS 14 H CYS 14 -6.647 -6.159 -1.790 90 HA CYS 14 HA CYS 14 -8.667 -8.207 -1.158 91 HB2 CYS 14 HB2 CYS 14 -8.474 -7.673 1.199 92 HB3 CYS 14 HB3 CYS 14 -6.889 -8.116 0.573 93 H GLN 15 H GLN 15 -8.376 -5.413 -2.601 94 HA GLN 15 HA GLN 15 -9.723 -3.628 -3.016 95 HB2 GLN 15 HB2 GLN 15 -11.633 -5.609 -1.831 96 HB3 GLN 15 HB3 GLN 15 -12.184 -3.979 -2.199 97 HG2 GLN 15 HG2 GLN 15 -11.236 -4.387 -4.539 98 HG3 GLN 15 HG3 GLN 15 -11.189 -6.088 -4.077 99 HE21 GLN 15 HE21 GLN 15 -13.007 -7.258 -4.170 100 HE22 GLN 15 HE22 GLN 15 -14.565 -6.629 -4.570 101 H LYS 16 H LYS 16 -8.096 -3.125 -0.981 102 HA LYS 16 HA LYS 16 -9.787 -1.865 1.077 103 HB2 LYS 16 HB2 LYS 16 -8.326 -3.515 2.063 104 HB3 LYS 16 HB3 LYS 16 -6.930 -2.837 1.236 105 HG2 LYS 16 HG2 LYS 16 -6.973 -0.885 2.580 106 HG3 LYS 16 HG3 LYS 16 -8.551 -1.303 3.249 107 HD2 LYS 16 HD2 LYS 16 -7.642 -3.123 4.477 108 HD3 LYS 16 HD3 LYS 16 -6.103 -3.017 3.620 109 HE2 LYS 16 HE2 LYS 16 -5.717 -0.808 4.628 110 HE3 LYS 16 HE3 LYS 16 -7.239 -0.955 5.508 111 HZ1 LYS 16 HZ1 LYS 16 -6.120 -3.171 6.309 112 HZ2 LYS 16 HZ2 LYS 16 -5.790 -1.700 7.075 113 HZ3 LYS 16 HZ3 LYS 16 -4.694 -2.332 5.952 114 H GLU 17 H GLU 17 -9.312 0.258 1.728 115 HA GLU 17 HA GLU 17 -7.773 1.787 -0.258 116 HB2 GLU 17 HB2 GLU 17 -10.143 2.491 1.452 117 HB3 GLU 17 HB3 GLU 17 -9.138 3.741 0.733 118 HG2 GLU 17 HG2 GLU 17 -9.598 2.799 -1.491 119 HG3 GLU 17 HG3 GLU 17 -10.658 1.606 -0.745 120 H PHE 18 H PHE 18 -5.987 2.826 0.349 121 HA PHE 18 HA PHE 18 -5.129 2.667 3.103 122 HB2 PHE 18 HB2 PHE 18 -3.777 3.774 0.635 123 HB3 PHE 18 HB3 PHE 18 -3.022 3.683 2.225 124 HD1 PHE 18 HD2 PHE 18 -3.823 1.069 3.192 125 HD2 PHE 18 HD1 PHE 18 -2.662 2.281 -0.719 126 HE1 PHE 18 HE2 PHE 18 -3.077 -1.224 2.707 127 HE2 PHE 18 HE1 PHE 18 -1.914 -0.011 -1.211 128 HZ PHE 18 HZ PHE 18 -2.122 -1.768 0.503 129 H ALA 19 H ALA 19 -5.143 4.259 4.568 130 HA ALA 19 HA ALA 19 -6.628 6.615 4.143 131 HB1 ALA 19 HB1 ALA 19 -6.512 6.840 6.366 132 HB2 ALA 19 HB2 ALA 19 -5.734 5.256 6.340 133 HB3 ALA 19 HB3 ALA 19 -4.752 6.720 6.380 134 HA PRO 20 HA PRO 20 -3.757 9.553 2.600 135 HB2 PRO 20 HB2 PRO 20 -4.424 11.797 3.974 136 HB3 PRO 20 HB3 PRO 20 -5.442 11.111 2.703 137 HG2 PRO 20 HG2 PRO 20 -5.685 10.844 5.674 138 HG3 PRO 20 HG3 PRO 20 -6.955 11.127 4.469 139 HD2 PRO 20 HD2 PRO 20 -6.479 8.685 5.538 140 HD3 PRO 20 HD3 PRO 20 -7.062 8.902 3.876 141 H ARG 21 H ARG 21 -3.923 9.148 6.079 142 HA ARG 21 HA ARG 21 -1.564 10.625 6.686 143 HB2 ARG 21 HB2 ARG 21 -1.703 9.437 8.885 144 HB3 ARG 21 HB3 ARG 21 -3.176 10.279 8.426 145 HG2 ARG 21 HG2 ARG 21 -4.271 8.260 7.868 146 HG3 ARG 21 HG3 ARG 21 -2.765 7.343 7.944 147 HD2 ARG 21 HD2 ARG 21 -3.329 6.838 10.041 148 HD3 ARG 21 HD3 ARG 21 -2.942 8.511 10.439 149 HE ARG 21 HE ARG 21 -5.573 7.332 10.220 150 HH11 ARG 21 HH11 ARG 21 -3.695 10.263 10.299 151 HH12 ARG 21 HH12 ARG 21 -5.026 11.257 10.791 152 HH21 ARG 21 HH21 ARG 21 -7.332 8.631 10.869 153 HH22 ARG 21 HH22 ARG 21 -7.095 10.327 11.116 154 H LEU 22 H LEU 22 -2.193 7.394 5.607 155 HA LEU 22 HA LEU 22 0.159 6.127 6.473 156 HB2 LEU 22 HB2 LEU 22 -1.658 5.638 4.129 157 HB3 LEU 22 HB3 LEU 22 -0.271 4.610 4.484 158 HG LEU 22 HG LEU 22 -2.590 5.062 6.360 159 HD11 LEU 22 HD11 LEU 22 -2.020 2.602 4.727 160 HD12 LEU 22 HD12 LEU 22 -3.143 3.860 4.213 161 HD13 LEU 22 HD13 LEU 22 -3.447 2.961 5.699 162 HD21 LEU 22 HD21 LEU 22 -0.943 2.684 6.679 163 HD22 LEU 22 HD22 LEU 22 -1.480 3.861 7.878 164 HD23 LEU 22 HD23 LEU 22 -0.041 4.182 6.909 165 H THR 23 H THR 23 2.087 5.632 5.344 166 HA THR 23 HA THR 23 2.802 7.640 3.310 167 HB THR 23 HB THR 23 5.217 6.887 4.105 168 HG1 THR 23 HG1 THR 23 3.739 6.603 6.515 169 HG21 THR 23 HG21 THR 23 3.402 8.800 5.573 170 HG22 THR 23 HG22 THR 23 4.473 9.166 4.221 171 HG23 THR 23 HG23 THR 23 5.150 8.734 5.790 172 H GLN 24 H GLN 24 4.780 6.845 1.971 173 HA GLN 24 HA GLN 24 3.953 4.778 0.316 174 HB2 GLN 24 HB2 GLN 24 6.287 4.814 -0.576 175 HB3 GLN 24 HB3 GLN 24 5.532 6.400 -0.479 176 HG2 GLN 24 HG2 GLN 24 6.768 6.903 1.537 177 HG3 GLN 24 HG3 GLN 24 7.468 5.285 1.538 178 HE21 GLN 24 HE21 GLN 24 7.541 8.439 0.136 179 HE22 GLN 24 HE22 GLN 24 8.984 8.226 -0.790 180 H LEU 25 H LEU 25 6.028 4.703 3.148 181 HA LEU 25 HA LEU 25 6.922 2.022 2.793 182 HB2 LEU 25 HB2 LEU 25 7.896 2.212 4.924 183 HB3 LEU 25 HB3 LEU 25 8.025 3.807 4.187 184 HG LEU 25 HG LEU 25 5.771 4.187 5.553 185 HD11 LEU 25 HD11 LEU 25 6.806 2.888 7.816 186 HD12 LEU 25 HD12 LEU 25 6.750 1.680 6.533 187 HD13 LEU 25 HD13 LEU 25 5.289 2.561 6.979 188 HD21 LEU 25 HD21 LEU 25 7.021 5.449 7.035 189 HD22 LEU 25 HD22 LEU 25 8.114 5.294 5.659 190 HD23 LEU 25 HD23 LEU 25 8.338 4.279 7.085 191 H ASP 26 H ASP 26 4.207 3.524 4.437 192 HA ASP 26 HA ASP 26 3.361 1.254 5.894 193 HB2 ASP 26 HB2 ASP 26 1.913 3.728 4.950 194 HB3 ASP 26 HB3 ASP 26 1.123 2.478 5.909 195 H VAL 27 H VAL 27 2.515 2.493 2.689 196 HA VAL 27 HA VAL 27 0.458 0.703 2.081 197 HB VAL 27 HB VAL 27 2.454 1.953 0.190 198 HG11 VAL 27 HG11 VAL 27 0.323 0.071 -0.247 199 HG12 VAL 27 HG12 VAL 27 -0.012 1.591 -1.079 200 HG13 VAL 27 HG13 VAL 27 1.493 0.724 -1.393 201 HG21 VAL 27 HG21 VAL 27 1.414 3.750 1.222 202 HG22 VAL 27 HG22 VAL 27 0.401 3.485 -0.195 203 HG23 VAL 27 HG23 VAL 27 -0.122 2.900 1.383 204 H ASP 28 H ASP 28 3.932 0.472 1.334 205 HA ASP 28 HA ASP 28 3.834 -2.036 0.085 206 HB2 ASP 28 HB2 ASP 28 5.948 -0.333 1.280 207 HB3 ASP 28 HB3 ASP 28 6.333 -2.041 1.092 208 H SER 29 H SER 29 4.067 -1.121 3.463 209 HA SER 29 HA SER 29 4.863 -3.527 4.592 210 HB2 SER 29 HB2 SER 29 4.323 -1.165 5.652 211 HB3 SER 29 HB3 SER 29 2.755 -1.908 5.967 212 HG SER 29 HG SER 29 5.298 -2.841 6.815 213 H HIS 30 H HIS 30 1.540 -2.380 4.005 214 HA HIS 30 HA HIS 30 0.320 -4.813 4.823 215 HB2 HIS 30 HB2 HIS 30 -0.881 -2.667 4.841 216 HB3 HIS 30 HB3 HIS 30 -0.780 -2.594 3.085 217 HD1 HIS 30 HD1 HIS 30 -3.008 -3.572 5.700 218 HD2 HIS 30 HD2 HIS 30 -2.165 -4.978 1.883 219 HE1 HIS 30 HE1 HIS 30 -4.991 -4.974 5.047 220 H LEU 31 H LEU 31 1.367 -3.523 1.720 221 HA LEU 31 HA LEU 31 0.143 -5.354 0.017 222 HB2 LEU 31 HB2 LEU 31 2.707 -3.809 -0.169 223 HB3 LEU 31 HB3 LEU 31 2.190 -4.892 -1.460 224 HG LEU 31 HG LEU 31 0.659 -2.485 -0.472 225 HD11 LEU 31 HD11 LEU 31 1.351 -1.363 -2.427 226 HD12 LEU 31 HD12 LEU 31 2.046 -2.829 -3.116 227 HD13 LEU 31 HD13 LEU 31 2.814 -2.058 -1.728 228 HD21 LEU 31 HD21 LEU 31 -1.089 -3.247 -1.606 229 HD22 LEU 31 HD22 LEU 31 -0.224 -4.763 -1.859 230 HD23 LEU 31 HD23 LEU 31 -0.104 -3.469 -3.052 231 H ALA 32 H ALA 32 2.891 -5.706 2.110 232 HA ALA 32 HA ALA 32 3.874 -8.108 0.871 233 HB1 ALA 32 HB1 ALA 32 4.543 -7.267 3.666 234 HB2 ALA 32 HB2 ALA 32 5.548 -8.105 2.482 235 HB3 ALA 32 HB3 ALA 32 5.188 -6.390 2.277 236 H GLN 33 H GLN 33 2.020 -7.336 3.799 237 HA GLN 33 HA GLN 33 1.761 -10.035 4.650 238 HB2 GLN 33 HB2 GLN 33 0.234 -7.529 5.352 239 HB3 GLN 33 HB3 GLN 33 -0.086 -9.088 6.100 240 HG2 GLN 33 HG2 GLN 33 2.693 -8.027 6.118 241 HG3 GLN 33 HG3 GLN 33 1.506 -7.347 7.228 242 HE21 GLN 33 HE21 GLN 33 1.287 -8.314 9.112 243 HE22 GLN 33 HE22 GLN 33 1.776 -9.928 9.489 244 H CYS 34 H CYS 34 -0.129 -7.929 2.470 245 HA CYS 34 HA CYS 34 -2.410 -9.585 2.475 246 HB2 CYS 34 HB2 CYS 34 -2.003 -7.079 1.648 247 HB3 CYS 34 HB3 CYS 34 -1.755 -7.874 0.107 248 H LEU 35 H LEU 35 0.627 -9.444 0.751 249 HA LEU 35 HA LEU 35 -0.059 -11.301 -1.313 250 HB2 LEU 35 HB2 LEU 35 2.500 -10.096 -0.328 251 HB3 LEU 35 HB3 LEU 35 2.517 -11.398 -1.516 252 HG LEU 35 HG LEU 35 0.960 -8.874 -1.986 253 HD11 LEU 35 HD11 LEU 35 3.492 -8.952 -3.361 254 HD12 LEU 35 HD12 LEU 35 3.719 -8.940 -1.613 255 HD13 LEU 35 HD13 LEU 35 2.778 -7.666 -2.387 256 HD21 LEU 35 HD21 LEU 35 2.230 -10.860 -3.867 257 HD22 LEU 35 HD22 LEU 35 1.198 -9.499 -4.306 258 HD23 LEU 35 HD23 LEU 35 0.530 -10.856 -3.397 259 H ALA 36 H ALA 36 1.175 -11.541 1.925 260 HA ALA 36 HA ALA 36 2.257 -14.158 1.741 261 HB1 ALA 36 HB1 ALA 36 1.192 -12.749 4.185 262 HB2 ALA 36 HB2 ALA 36 2.289 -14.129 4.157 263 HB3 ALA 36 HB3 ALA 36 2.823 -12.567 3.539 264 H GLU 37 H GLU 37 -0.944 -12.896 2.493 265 HA GLU 37 HA GLU 37 -2.128 -15.215 3.487 266 HB2 GLU 37 HB2 GLU 37 -4.171 -14.146 3.212 267 HB3 GLU 37 HB3 GLU 37 -3.051 -12.795 3.309 268 HG2 GLU 37 HG2 GLU 37 -4.177 -12.103 1.494 269 HG3 GLU 37 HG3 GLU 37 -3.051 -13.171 0.660 270 H SER 38 H SER 38 -1.169 -14.392 0.281 271 HA SER 38 HA SER 38 -2.675 -16.664 -0.818 272 HB2 SER 38 HB2 SER 38 -2.756 -14.258 -1.830 273 HB3 SER 38 HB3 SER 38 -1.185 -14.681 -2.511 274 HG SER 38 HG SER 38 -2.106 -16.226 -3.723 275 H THR 39 H THR 39 -1.460 -18.442 -0.479 276 HA THR 39 HA THR 39 1.369 -18.354 -1.290 277 HB THR 39 HB THR 39 0.150 -20.553 0.361 278 HG1 THR 39 HG1 THR 39 0.332 -19.356 2.132 279 HG21 THR 39 HG21 THR 39 2.651 -20.348 1.225 280 HG22 THR 39 HG22 THR 39 2.883 -19.635 -0.372 281 HG23 THR 39 HG23 THR 39 2.242 -21.272 -0.220 282 H GLU 40 H GLU 40 -0.334 -18.500 -3.373 283 HA GLU 40 HA GLU 40 -0.364 -21.346 -4.129 284 HB2 GLU 40 HB2 GLU 40 -2.037 -19.030 -5.104 285 HB3 GLU 40 HB3 GLU 40 -2.013 -20.602 -5.891 286 HG2 GLU 40 HG2 GLU 40 -2.673 -21.562 -3.627 287 HG3 GLU 40 HG3 GLU 40 -3.026 -19.899 -3.160 288 H ASP 41 H ASP 41 2.048 -20.042 -4.270 289 HA ASP 41 HA ASP 41 2.399 -19.656 -7.171 290 HB2 ASP 41 HB2 ASP 41 2.799 -17.637 -5.623 291 HB3 ASP 41 HB3 ASP 41 4.246 -18.493 -5.096 292 H VAL 42 H VAL 42 2.435 -22.194 -6.307 293 HA VAL 42 HA VAL 42 5.297 -22.881 -6.133 294 HB VAL 42 HB VAL 42 2.940 -24.540 -5.226 295 HG11 VAL 42 HG11 VAL 42 4.327 -26.271 -5.347 296 HG12 VAL 42 HG12 VAL 42 5.662 -25.226 -5.839 297 HG13 VAL 42 HG13 VAL 42 5.335 -25.493 -4.126 298 HG21 VAL 42 HG21 VAL 42 3.336 -22.614 -3.775 299 HG22 VAL 42 HG22 VAL 42 3.764 -24.119 -2.963 300 HG23 VAL 42 HG23 VAL 42 5.030 -23.078 -3.612 301 H THR 43 H THR 43 5.927 -23.243 -8.181 302 HA THR 43 HA THR 43 4.220 -24.911 -9.899 303 HB THR 43 HB THR 43 4.712 -22.843 -10.982 304 HG1 THR 43 HG1 THR 43 5.131 -23.920 -12.746 305 HG21 THR 43 HG21 THR 43 6.565 -22.018 -9.737 306 HG22 THR 43 HG22 THR 43 7.112 -22.181 -11.406 307 HG23 THR 43 HG23 THR 43 7.573 -23.387 -10.205 308 H TRP 44 H TRP 44 7.281 -24.749 -8.290 309 HA TRP 44 HA TRP 44 8.491 -26.890 -9.785 310 HB2 TRP 44 HB2 TRP 44 9.729 -25.006 -8.588 311 HB3 TRP 44 HB3 TRP 44 9.381 -25.865 -7.090 312 HD1 TRP 44 HD1 TRP 44 10.939 -26.856 -10.520 313 HE1 TRP 44 HE1 TRP 44 12.987 -28.341 -10.047 314 HE3 TRP 44 HE3 TRP 44 10.707 -26.957 -5.414 315 HZ2 TRP 44 HZ2 TRP 44 14.327 -29.415 -7.806 316 HZ3 TRP 44 HZ3 TRP 44 12.408 -28.237 -4.181 317 HH2 TRP 44 HH2 TRP 44 14.180 -29.440 -5.354 Start of MODEL 6 1 H1 SER 1 H SER 1 -5.410 -10.876 -16.567 2 HA SER 1 HA SER 1 -5.785 -8.060 -16.186 3 HB2 SER 1 HB2 SER 1 -6.608 -8.812 -13.896 4 HB3 SER 1 HB3 SER 1 -7.476 -9.471 -15.283 5 HG SER 1 HG SER 1 -6.941 -11.375 -14.608 6 H HIS 2 H HIS 2 -3.108 -8.457 -16.554 7 HA HIS 2 HA HIS 2 -1.967 -8.114 -13.860 8 HB2 HIS 2 HB2 HIS 2 0.234 -8.645 -15.026 9 HB3 HIS 2 HB3 HIS 2 -0.901 -9.980 -14.856 10 HD1 HIS 2 HD1 HIS 2 0.929 -8.001 -17.361 11 HD2 HIS 2 HD2 HIS 2 -2.214 -10.716 -17.304 12 HE1 HIS 2 HE1 HIS 2 0.632 -8.735 -19.747 13 H MET 3 H MET 3 -3.252 -5.956 -14.943 14 HA MET 3 HA MET 3 -1.090 -4.242 -15.962 15 HB2 MET 3 HB2 MET 3 -3.136 -4.410 -17.363 16 HB3 MET 3 HB3 MET 3 -4.072 -3.748 -16.029 17 HG2 MET 3 HG2 MET 3 -3.663 -1.970 -17.519 18 HG3 MET 3 HG3 MET 3 -2.605 -1.721 -16.132 19 HE1 MET 3 HE1 MET 3 -1.947 0.026 -18.041 20 HE2 MET 3 HE2 MET 3 -0.415 -0.285 -17.225 21 HE3 MET 3 HE3 MET 3 -0.487 -0.266 -18.988 22 H GLY 4 H GLY 4 -0.124 -3.796 -13.962 23 HA2 GLY 4 HA2 GLY 4 -1.800 -2.261 -12.074 24 HA3 GLY 4 HA3 GLY 4 -0.372 -3.176 -11.613 25 H ALA 5 H ALA 5 0.833 -1.557 -10.742 26 HA ALA 5 HA ALA 5 2.125 0.233 -12.587 27 HB1 ALA 5 HB1 ALA 5 0.808 1.996 -12.266 28 HB2 ALA 5 HB2 ALA 5 -0.086 1.176 -10.986 29 HB3 ALA 5 HB3 ALA 5 1.400 2.045 -10.605 30 H ALA 6 H ALA 6 3.666 1.740 -11.270 31 HA ALA 6 HA ALA 6 5.082 0.003 -9.401 32 HB1 ALA 6 HB1 ALA 6 6.993 1.403 -9.766 33 HB2 ALA 6 HB2 ALA 6 6.270 1.027 -11.331 34 HB3 ALA 6 HB3 ALA 6 6.008 2.609 -10.597 35 H ALA 7 H ALA 7 2.671 2.030 -9.003 36 HA ALA 7 HA ALA 7 3.298 2.597 -6.279 37 HB1 ALA 7 HB1 ALA 7 4.416 4.436 -7.832 38 HB2 ALA 7 HB2 ALA 7 2.793 5.122 -7.753 39 HB3 ALA 7 HB3 ALA 7 3.702 4.836 -6.269 40 H LEU 8 H LEU 8 1.414 2.002 -5.428 41 HA LEU 8 HA LEU 8 -1.058 3.052 -6.642 42 HB2 LEU 8 HB2 LEU 8 -2.090 1.009 -5.426 43 HB3 LEU 8 HB3 LEU 8 -1.275 0.788 -6.973 44 HG LEU 8 HG LEU 8 0.758 0.064 -5.686 45 HD11 LEU 8 HD11 LEU 8 -0.262 -0.856 -3.328 46 HD12 LEU 8 HD12 LEU 8 -1.027 0.727 -3.469 47 HD13 LEU 8 HD13 LEU 8 0.730 0.590 -3.513 48 HD21 LEU 8 HD21 LEU 8 0.093 -2.090 -5.827 49 HD22 LEU 8 HD22 LEU 8 -1.322 -1.370 -6.597 50 HD23 LEU 8 HD23 LEU 8 -1.375 -1.814 -4.890 51 H ARG 9 H ARG 9 -2.711 3.741 -5.251 52 HA ARG 9 HA ARG 9 -1.766 4.459 -2.566 53 HB2 ARG 9 HB2 ARG 9 -2.695 6.133 -4.388 54 HB3 ARG 9 HB3 ARG 9 -4.251 5.608 -3.759 55 HG2 ARG 9 HG2 ARG 9 -3.725 7.546 -2.561 56 HG3 ARG 9 HG3 ARG 9 -3.358 6.215 -1.462 57 HD2 ARG 9 HD2 ARG 9 -1.471 7.493 -1.214 58 HD3 ARG 9 HD3 ARG 9 -0.965 6.422 -2.521 59 HE ARG 9 HE ARG 9 -2.116 8.668 -3.687 60 HH11 ARG 9 HH11 ARG 9 0.641 7.881 -1.711 61 HH12 ARG 9 HH12 ARG 9 1.616 9.173 -2.328 62 HH21 ARG 9 HH21 ARG 9 -0.842 10.373 -4.508 63 HH22 ARG 9 HH22 ARG 9 0.771 10.590 -3.918 64 H SER 10 H SER 10 -3.207 1.928 -3.713 65 HA SER 10 HA SER 10 -4.831 1.520 -1.347 66 HB2 SER 10 HB2 SER 10 -6.670 0.554 -2.979 67 HB3 SER 10 HB3 SER 10 -6.650 2.268 -2.563 68 HG SER 10 HG SER 10 -5.213 2.375 -4.550 69 H CYS 11 H CYS 11 -5.825 -0.802 -1.487 70 HA CYS 11 HA CYS 11 -3.709 -2.573 -2.516 71 HB2 CYS 11 HB2 CYS 11 -4.151 -2.393 0.016 72 HB3 CYS 11 HB3 CYS 11 -5.628 -3.293 -0.312 73 HA PRO 12 HA PRO 12 -7.267 -3.695 -5.135 74 HB2 PRO 12 HB2 PRO 12 -5.732 -4.644 -7.164 75 HB3 PRO 12 HB3 PRO 12 -6.099 -2.927 -6.958 76 HG2 PRO 12 HG2 PRO 12 -3.637 -4.443 -6.185 77 HG3 PRO 12 HG3 PRO 12 -3.775 -2.848 -6.948 78 HD2 PRO 12 HD2 PRO 12 -3.289 -3.160 -4.303 79 HD3 PRO 12 HD3 PRO 12 -4.216 -1.790 -4.949 80 H MET 13 H MET 13 -4.842 -5.430 -3.540 81 HA MET 13 HA MET 13 -5.425 -8.032 -4.587 82 HB2 MET 13 HB2 MET 13 -3.335 -7.041 -3.214 83 HB3 MET 13 HB3 MET 13 -4.229 -7.770 -1.886 84 HG2 MET 13 HG2 MET 13 -4.265 -9.900 -3.190 85 HG3 MET 13 HG3 MET 13 -3.180 -9.135 -4.349 86 HE1 MET 13 HE1 MET 13 -1.729 -7.284 -1.930 87 HE2 MET 13 HE2 MET 13 -0.241 -8.210 -1.729 88 HE3 MET 13 HE3 MET 13 -0.853 -7.866 -3.348 89 H CYS 14 H CYS 14 -6.447 -6.150 -1.786 90 HA CYS 14 HA CYS 14 -8.489 -8.205 -1.245 91 HB2 CYS 14 HB2 CYS 14 -8.355 -7.688 1.120 92 HB3 CYS 14 HB3 CYS 14 -6.753 -8.113 0.528 93 H GLN 15 H GLN 15 -8.163 -5.367 -2.629 94 HA GLN 15 HA GLN 15 -9.509 -3.583 -3.052 95 HB2 GLN 15 HB2 GLN 15 -11.516 -5.514 -1.901 96 HB3 GLN 15 HB3 GLN 15 -11.978 -3.933 -2.514 97 HG2 GLN 15 HG2 GLN 15 -12.300 -5.054 -4.424 98 HG3 GLN 15 HG3 GLN 15 -10.559 -4.848 -4.605 99 HE21 GLN 15 HE21 GLN 15 -13.110 -7.060 -3.737 100 HE22 GLN 15 HE22 GLN 15 -12.178 -8.506 -3.886 101 H LYS 16 H LYS 16 -7.983 -3.090 -0.954 102 HA LYS 16 HA LYS 16 -9.785 -1.875 1.037 103 HB2 LYS 16 HB2 LYS 16 -8.499 -3.541 2.155 104 HB3 LYS 16 HB3 LYS 16 -7.016 -3.024 1.363 105 HG2 LYS 16 HG2 LYS 16 -6.749 -1.209 2.740 106 HG3 LYS 16 HG3 LYS 16 -8.472 -1.099 3.108 107 HD2 LYS 16 HD2 LYS 16 -8.070 -3.429 4.236 108 HD3 LYS 16 HD3 LYS 16 -6.388 -2.894 4.272 109 HE2 LYS 16 HE2 LYS 16 -7.003 -1.986 6.243 110 HE3 LYS 16 HE3 LYS 16 -7.607 -0.686 5.217 111 HZ1 LYS 16 HZ1 LYS 16 -9.712 -2.277 5.212 112 HZ2 LYS 16 HZ2 LYS 16 -9.475 -1.090 6.393 113 HZ3 LYS 16 HZ3 LYS 16 -9.078 -2.701 6.722 114 H GLU 17 H GLU 17 -9.492 0.253 1.571 115 HA GLU 17 HA GLU 17 -7.734 1.770 -0.207 116 HB2 GLU 17 HB2 GLU 17 -10.271 2.320 1.211 117 HB3 GLU 17 HB3 GLU 17 -9.151 3.671 1.092 118 HG2 GLU 17 HG2 GLU 17 -9.273 2.462 -1.454 119 HG3 GLU 17 HG3 GLU 17 -10.928 2.637 -0.874 120 H PHE 18 H PHE 18 -6.026 2.919 0.489 121 HA PHE 18 HA PHE 18 -5.205 2.576 3.248 122 HB2 PHE 18 HB2 PHE 18 -3.822 3.791 0.852 123 HB3 PHE 18 HB3 PHE 18 -3.097 3.694 2.454 124 HD1 PHE 18 HD2 PHE 18 -3.788 1.061 3.387 125 HD2 PHE 18 HD1 PHE 18 -2.698 2.334 -0.525 126 HE1 PHE 18 HE2 PHE 18 -2.972 -1.204 2.881 127 HE2 PHE 18 HE1 PHE 18 -1.880 0.072 -1.038 128 HZ PHE 18 HZ PHE 18 -2.017 -1.702 0.666 129 H ALA 19 H ALA 19 -5.232 4.093 4.795 130 HA ALA 19 HA ALA 19 -6.797 6.379 4.606 131 HB1 ALA 19 HB1 ALA 19 -6.409 6.582 6.802 132 HB2 ALA 19 HB2 ALA 19 -5.554 5.048 6.637 133 HB3 ALA 19 HB3 ALA 19 -4.658 6.566 6.592 134 HA PRO 20 HA PRO 20 -4.355 9.542 2.795 135 HB2 PRO 20 HB2 PRO 20 -4.997 11.708 4.301 136 HB3 PRO 20 HB3 PRO 20 -6.117 10.973 3.148 137 HG2 PRO 20 HG2 PRO 20 -5.964 10.637 6.120 138 HG3 PRO 20 HG3 PRO 20 -7.392 10.848 5.090 139 HD2 PRO 20 HD2 PRO 20 -6.618 8.430 6.026 140 HD3 PRO 20 HD3 PRO 20 -7.418 8.633 4.455 141 H ARG 21 H ARG 21 -3.992 8.922 6.204 142 HA ARG 21 HA ARG 21 -1.650 10.574 6.508 143 HB2 ARG 21 HB2 ARG 21 -1.504 9.481 8.750 144 HB3 ARG 21 HB3 ARG 21 -3.043 10.271 8.438 145 HG2 ARG 21 HG2 ARG 21 -3.016 7.462 7.665 146 HG3 ARG 21 HG3 ARG 21 -2.711 7.726 9.384 147 HD2 ARG 21 HD2 ARG 21 -4.769 9.424 8.989 148 HD3 ARG 21 HD3 ARG 21 -5.149 8.187 7.792 149 HE ARG 21 HE ARG 21 -4.537 6.944 10.233 150 HH11 ARG 21 HH11 ARG 21 -7.000 8.924 8.774 151 HH12 ARG 21 HH12 ARG 21 -8.274 8.305 9.773 152 HH21 ARG 21 HH21 ARG 21 -6.204 6.121 11.555 153 HH22 ARG 21 HH22 ARG 21 -7.820 6.711 11.355 154 H LEU 22 H LEU 22 -2.350 7.305 5.615 155 HA LEU 22 HA LEU 22 0.066 6.054 6.254 156 HB2 LEU 22 HB2 LEU 22 -2.007 5.576 4.147 157 HB3 LEU 22 HB3 LEU 22 -0.540 4.602 4.201 158 HG LEU 22 HG LEU 22 -2.603 4.817 6.394 159 HD11 LEU 22 HD11 LEU 22 -3.381 3.575 4.428 160 HD12 LEU 22 HD12 LEU 22 -3.151 2.525 5.825 161 HD13 LEU 22 HD13 LEU 22 -1.957 2.539 4.527 162 HD21 LEU 22 HD21 LEU 22 0.121 4.074 6.504 163 HD22 LEU 22 HD22 LEU 22 -0.832 2.596 6.646 164 HD23 LEU 22 HD23 LEU 22 -1.102 3.933 7.767 165 H THR 23 H THR 23 1.974 5.735 5.141 166 HA THR 23 HA THR 23 2.476 7.643 2.955 167 HB THR 23 HB THR 23 4.945 7.179 3.618 168 HG1 THR 23 HG1 THR 23 5.212 6.505 5.745 169 HG21 THR 23 HG21 THR 23 3.052 8.771 5.347 170 HG22 THR 23 HG22 THR 23 3.947 9.340 3.938 171 HG23 THR 23 HG23 THR 23 4.807 8.910 5.416 172 H GLN 24 H GLN 24 4.440 6.876 1.568 173 HA GLN 24 HA GLN 24 3.638 4.681 0.062 174 HB2 GLN 24 HB2 GLN 24 5.908 4.808 -0.969 175 HB3 GLN 24 HB3 GLN 24 5.067 6.350 -0.906 176 HG2 GLN 24 HG2 GLN 24 6.367 6.934 1.112 177 HG3 GLN 24 HG3 GLN 24 7.262 5.426 0.931 178 HE21 GLN 24 HE21 GLN 24 8.719 7.630 0.985 179 HE22 GLN 24 HE22 GLN 24 9.308 8.047 -0.584 180 H LEU 25 H LEU 25 5.994 4.897 2.680 181 HA LEU 25 HA LEU 25 7.014 2.276 2.440 182 HB2 LEU 25 HB2 LEU 25 7.994 2.613 4.580 183 HB3 LEU 25 HB3 LEU 25 8.075 4.139 3.702 184 HG LEU 25 HG LEU 25 5.826 4.582 5.062 185 HD11 LEU 25 HD11 LEU 25 5.425 2.942 6.520 186 HD12 LEU 25 HD12 LEU 25 6.768 3.610 7.447 187 HD13 LEU 25 HD13 LEU 25 7.043 2.264 6.341 188 HD21 LEU 25 HD21 LEU 25 7.471 6.172 5.284 189 HD22 LEU 25 HD22 LEU 25 8.695 4.998 5.767 190 HD23 LEU 25 HD23 LEU 25 7.443 5.487 6.909 191 H ASP 26 H ASP 26 4.279 3.629 4.194 192 HA ASP 26 HA ASP 26 3.673 1.328 5.722 193 HB2 ASP 26 HB2 ASP 26 2.159 3.788 4.924 194 HB3 ASP 26 HB3 ASP 26 1.304 2.452 5.694 195 H VAL 27 H VAL 27 2.582 2.464 2.556 196 HA VAL 27 HA VAL 27 0.585 0.588 2.070 197 HB VAL 27 HB VAL 27 2.480 1.834 0.074 198 HG11 VAL 27 HG11 VAL 27 1.533 0.454 -1.397 199 HG12 VAL 27 HG12 VAL 27 0.333 -0.092 -0.224 200 HG13 VAL 27 HG13 VAL 27 0.048 1.375 -1.163 201 HG21 VAL 27 HG21 VAL 27 0.265 3.220 -0.276 202 HG22 VAL 27 HG22 VAL 27 -0.020 2.758 1.401 203 HG23 VAL 27 HG23 VAL 27 1.432 3.663 0.971 204 H ASP 28 H ASP 28 4.018 0.435 1.120 205 HA ASP 28 HA ASP 28 3.984 -2.088 -0.042 206 HB2 ASP 28 HB2 ASP 28 6.035 -0.290 1.067 207 HB3 ASP 28 HB3 ASP 28 6.480 -1.995 1.070 208 H SER 29 H SER 29 4.188 -1.157 3.334 209 HA SER 29 HA SER 29 5.003 -3.577 4.451 210 HB2 SER 29 HB2 SER 29 4.505 -1.197 5.512 211 HB3 SER 29 HB3 SER 29 2.949 -1.943 5.879 212 HG SER 29 HG SER 29 3.888 -3.259 7.266 213 H HIS 30 H HIS 30 1.697 -2.384 3.881 214 HA HIS 30 HA HIS 30 0.422 -4.755 4.767 215 HB2 HIS 30 HB2 HIS 30 -0.731 -2.581 4.672 216 HB3 HIS 30 HB3 HIS 30 -0.615 -2.598 2.915 217 HD1 HIS 30 HD1 HIS 30 -2.899 -3.369 5.540 218 HD2 HIS 30 HD2 HIS 30 -2.025 -5.040 1.837 219 HE1 HIS 30 HE1 HIS 30 -4.902 -4.768 4.943 220 H LEU 31 H LEU 31 1.499 -3.614 1.612 221 HA LEU 31 HA LEU 31 0.265 -5.522 -0.004 222 HB2 LEU 31 HB2 LEU 31 2.884 -4.070 -0.301 223 HB3 LEU 31 HB3 LEU 31 2.211 -5.106 -1.557 224 HG LEU 31 HG LEU 31 0.997 -2.559 -0.488 225 HD11 LEU 31 HD11 LEU 31 2.584 -3.270 -2.901 226 HD12 LEU 31 HD12 LEU 31 2.622 -1.811 -1.910 227 HD13 LEU 31 HD13 LEU 31 1.304 -2.066 -3.053 228 HD21 LEU 31 HD21 LEU 31 -0.003 -4.478 -2.589 229 HD22 LEU 31 HD22 LEU 31 -0.682 -2.882 -2.264 230 HD23 LEU 31 HD23 LEU 31 -0.753 -4.139 -1.027 231 H ALA 32 H ALA 32 2.946 -5.804 2.158 232 HA ALA 32 HA ALA 32 3.980 -8.234 1.008 233 HB1 ALA 32 HB1 ALA 32 5.290 -6.495 2.350 234 HB2 ALA 32 HB2 ALA 32 4.573 -7.242 3.778 235 HB3 ALA 32 HB3 ALA 32 5.593 -8.198 2.702 236 H GLN 33 H GLN 33 2.091 -7.383 3.896 237 HA GLN 33 HA GLN 33 1.799 -10.076 4.775 238 HB2 GLN 33 HB2 GLN 33 0.254 -7.576 5.477 239 HB3 GLN 33 HB3 GLN 33 0.055 -9.124 6.288 240 HG2 GLN 33 HG2 GLN 33 2.594 -8.959 6.722 241 HG3 GLN 33 HG3 GLN 33 2.381 -7.250 6.346 242 HE21 GLN 33 HE21 GLN 33 0.900 -6.027 7.647 243 HE22 GLN 33 HE22 GLN 33 0.608 -6.489 9.286 244 H CYS 34 H CYS 34 -0.016 -7.969 2.552 245 HA CYS 34 HA CYS 34 -2.364 -9.530 2.607 246 HB2 CYS 34 HB2 CYS 34 -1.917 -7.073 1.742 247 HB3 CYS 34 HB3 CYS 34 -1.596 -7.877 0.219 248 H LEU 35 H LEU 35 0.624 -9.470 0.755 249 HA LEU 35 HA LEU 35 -0.023 -11.237 -1.308 250 HB2 LEU 35 HB2 LEU 35 2.494 -10.359 0.005 251 HB3 LEU 35 HB3 LEU 35 2.560 -11.769 -1.048 252 HG LEU 35 HG LEU 35 1.563 -9.051 -1.894 253 HD11 LEU 35 HD11 LEU 35 3.819 -9.374 -3.281 254 HD12 LEU 35 HD12 LEU 35 4.267 -10.243 -1.814 255 HD13 LEU 35 HD13 LEU 35 3.764 -8.557 -1.719 256 HD21 LEU 35 HD21 LEU 35 1.075 -9.942 -3.891 257 HD22 LEU 35 HD22 LEU 35 1.041 -11.477 -3.022 258 HD23 LEU 35 HD23 LEU 35 2.498 -10.984 -3.885 259 H ALA 36 H ALA 36 1.340 -11.880 1.905 260 HA ALA 36 HA ALA 36 1.696 -14.641 1.624 261 HB1 ALA 36 HB1 ALA 36 2.491 -14.452 3.688 262 HB2 ALA 36 HB2 ALA 36 2.019 -12.752 3.657 263 HB3 ALA 36 HB3 ALA 36 0.914 -13.963 4.308 264 H GLU 37 H GLU 37 -1.114 -12.773 2.698 265 HA GLU 37 HA GLU 37 -2.715 -14.977 3.429 266 HB2 GLU 37 HB2 GLU 37 -3.357 -12.144 2.641 267 HB3 GLU 37 HB3 GLU 37 -4.621 -13.301 3.031 268 HG2 GLU 37 HG2 GLU 37 -3.293 -13.660 5.216 269 HG3 GLU 37 HG3 GLU 37 -2.529 -12.124 4.808 270 H SER 38 H SER 38 -1.985 -13.505 0.370 271 HA SER 38 HA SER 38 -4.088 -15.036 -0.971 272 HB2 SER 38 HB2 SER 38 -3.457 -13.723 -2.978 273 HB3 SER 38 HB3 SER 38 -3.901 -12.692 -1.618 274 HG SER 38 HG SER 38 -1.333 -13.243 -2.655 275 H THR 39 H THR 39 -2.962 -17.058 -0.458 276 HA THR 39 HA THR 39 -0.480 -17.556 -1.894 277 HB THR 39 HB THR 39 -2.042 -19.638 -0.387 278 HG1 THR 39 HG1 THR 39 -0.532 -17.481 0.614 279 HG21 THR 39 HG21 THR 39 0.729 -19.821 0.045 280 HG22 THR 39 HG22 THR 39 0.524 -19.481 -1.674 281 HG23 THR 39 HG23 THR 39 -0.275 -20.876 -0.949 282 H GLU 40 H GLU 40 -1.283 -17.337 -4.043 283 HA GLU 40 HA GLU 40 -3.325 -19.172 -4.965 284 HB2 GLU 40 HB2 GLU 40 -1.698 -17.004 -6.254 285 HB3 GLU 40 HB3 GLU 40 -2.595 -18.148 -7.242 286 HG2 GLU 40 HG2 GLU 40 -3.910 -16.582 -5.049 287 HG3 GLU 40 HG3 GLU 40 -3.716 -15.934 -6.678 288 H ASP 41 H ASP 41 -2.026 -21.064 -4.247 289 HA ASP 41 HA ASP 41 0.034 -21.787 -6.224 290 HB2 ASP 41 HB2 ASP 41 -0.400 -22.678 -3.375 291 HB3 ASP 41 HB3 ASP 41 0.655 -23.551 -4.483 292 H VAL 42 H VAL 42 -2.595 -21.994 -7.011 293 HA VAL 42 HA VAL 42 -2.933 -24.914 -7.142 294 HB VAL 42 HB VAL 42 -4.645 -24.104 -5.632 295 HG11 VAL 42 HG11 VAL 42 -6.222 -22.532 -7.453 296 HG12 VAL 42 HG12 VAL 42 -5.628 -22.122 -5.842 297 HG13 VAL 42 HG13 VAL 42 -4.618 -21.827 -7.257 298 HG21 VAL 42 HG21 VAL 42 -6.094 -24.541 -8.214 299 HG22 VAL 42 HG22 VAL 42 -5.109 -25.824 -7.511 300 HG23 VAL 42 HG23 VAL 42 -6.468 -25.159 -6.606 301 H THR 43 H THR 43 -2.908 -25.640 -9.157 302 HA THR 43 HA THR 43 -3.237 -23.742 -11.356 303 HB THR 43 HB THR 43 -1.226 -25.057 -11.489 304 HG1 THR 43 HG1 THR 43 -1.523 -25.854 -13.555 305 HG21 THR 43 HG21 THR 43 -1.365 -27.543 -11.740 306 HG22 THR 43 HG22 THR 43 -3.058 -27.443 -11.257 307 HG23 THR 43 HG23 THR 43 -1.790 -26.954 -10.134 308 H TRP 44 H TRP 44 -4.743 -26.523 -9.912 309 HA TRP 44 HA TRP 44 -6.616 -26.775 -12.147 310 HB2 TRP 44 HB2 TRP 44 -6.379 -28.484 -9.661 311 HB3 TRP 44 HB3 TRP 44 -7.355 -28.833 -11.086 312 HD1 TRP 44 HD1 TRP 44 -4.381 -30.069 -9.631 313 HE1 TRP 44 HE1 TRP 44 -2.710 -30.975 -11.366 314 HE3 TRP 44 HE3 TRP 44 -6.322 -27.904 -13.835 315 HZ2 TRP 44 HZ2 TRP 44 -2.272 -30.794 -14.149 316 HZ3 TRP 44 HZ3 TRP 44 -5.217 -28.319 -15.994 317 HH2 TRP 44 HH2 TRP 44 -3.234 -29.735 -16.145 Start of MODEL 7 1 H1 SER 1 H SER 1 -1.914 17.137 -10.763 2 HA SER 1 HA SER 1 -1.676 14.699 -12.090 3 HB2 SER 1 HB2 SER 1 -0.513 17.416 -12.712 4 HB3 SER 1 HB3 SER 1 -0.378 16.043 -13.809 5 HG SER 1 HG SER 1 -2.312 17.689 -13.802 6 H HIS 2 H HIS 2 -0.391 13.192 -11.120 7 HA HIS 2 HA HIS 2 2.473 13.854 -10.892 8 HB2 HIS 2 HB2 HIS 2 1.016 13.185 -8.791 9 HB3 HIS 2 HB3 HIS 2 1.284 11.553 -9.398 10 HD1 HIS 2 HD1 HIS 2 2.850 14.199 -7.438 11 HD2 HIS 2 HD2 HIS 2 4.111 10.852 -9.554 12 HE1 HIS 2 HE1 HIS 2 5.188 13.733 -6.631 13 H MET 3 H MET 3 3.202 13.184 -12.860 14 HA MET 3 HA MET 3 2.622 10.406 -13.639 15 HB2 MET 3 HB2 MET 3 3.502 12.772 -15.298 16 HB3 MET 3 HB3 MET 3 3.402 11.128 -15.914 17 HG2 MET 3 HG2 MET 3 1.059 12.567 -14.706 18 HG3 MET 3 HG3 MET 3 1.452 12.633 -16.423 19 HE1 MET 3 HE1 MET 3 0.437 9.770 -13.524 20 HE2 MET 3 HE2 MET 3 -0.420 11.285 -13.809 21 HE3 MET 3 HE3 MET 3 -1.119 9.760 -14.355 22 H GLY 4 H GLY 4 4.277 8.987 -14.071 23 HA2 GLY 4 HA2 GLY 4 6.924 9.456 -14.561 24 HA3 GLY 4 HA3 GLY 4 6.794 9.562 -12.812 25 H ALA 5 H ALA 5 6.560 7.721 -11.610 26 HA ALA 5 HA ALA 5 6.898 5.207 -13.084 27 HB1 ALA 5 HB1 ALA 5 8.574 4.976 -11.632 28 HB2 ALA 5 HB2 ALA 5 7.966 6.268 -10.596 29 HB3 ALA 5 HB3 ALA 5 7.333 4.630 -10.426 30 H ALA 6 H ALA 6 5.513 3.515 -12.868 31 HA ALA 6 HA ALA 6 2.853 3.970 -12.158 32 HB1 ALA 6 HB1 ALA 6 2.446 1.774 -12.734 33 HB2 ALA 6 HB2 ALA 6 3.937 2.108 -13.618 34 HB3 ALA 6 HB3 ALA 6 3.994 1.210 -12.102 35 H ALA 7 H ALA 7 1.946 4.205 -10.232 36 HA ALA 7 HA ALA 7 2.938 2.612 -7.978 37 HB1 ALA 7 HB1 ALA 7 2.642 5.594 -8.059 38 HB2 ALA 7 HB2 ALA 7 2.538 4.703 -6.540 39 HB3 ALA 7 HB3 ALA 7 4.011 4.627 -7.507 40 H LEU 8 H LEU 8 1.385 2.660 -6.113 41 HA LEU 8 HA LEU 8 -1.391 2.994 -7.030 42 HB2 LEU 8 HB2 LEU 8 -1.800 0.961 -5.449 43 HB3 LEU 8 HB3 LEU 8 -1.259 0.711 -7.108 44 HG LEU 8 HG LEU 8 1.019 0.340 -6.325 45 HD11 LEU 8 HD11 LEU 8 1.213 1.702 -4.420 46 HD12 LEU 8 HD12 LEU 8 1.326 0.045 -3.822 47 HD13 LEU 8 HD13 LEU 8 -0.178 0.949 -3.638 48 HD21 LEU 8 HD21 LEU 8 -0.359 -1.605 -6.519 49 HD22 LEU 8 HD22 LEU 8 -1.101 -1.302 -4.947 50 HD23 LEU 8 HD23 LEU 8 0.600 -1.761 -5.047 51 H ARG 9 H ARG 9 -2.959 3.295 -5.319 52 HA ARG 9 HA ARG 9 -1.773 4.336 -2.831 53 HB2 ARG 9 HB2 ARG 9 -2.838 5.949 -4.693 54 HB3 ARG 9 HB3 ARG 9 -4.305 5.534 -3.815 55 HG2 ARG 9 HG2 ARG 9 -3.383 7.581 -2.947 56 HG3 ARG 9 HG3 ARG 9 -3.249 6.307 -1.732 57 HD2 ARG 9 HD2 ARG 9 -1.051 6.600 -1.626 58 HD3 ARG 9 HD3 ARG 9 -0.903 6.293 -3.356 59 HE ARG 9 HE ARG 9 -0.915 8.860 -2.035 60 HH11 ARG 9 HH11 ARG 9 -1.343 7.139 -5.031 61 HH12 ARG 9 HH12 ARG 9 -1.010 8.521 -6.022 62 HH21 ARG 9 HH21 ARG 9 -0.474 10.685 -3.330 63 HH22 ARG 9 HH22 ARG 9 -0.514 10.537 -5.054 64 H SER 10 H SER 10 -3.329 1.818 -3.854 65 HA SER 10 HA SER 10 -4.842 1.498 -1.401 66 HB2 SER 10 HB2 SER 10 -6.747 0.506 -2.992 67 HB3 SER 10 HB3 SER 10 -6.731 2.199 -2.498 68 HG SER 10 HG SER 10 -5.826 1.090 -4.944 69 H CYS 11 H CYS 11 -5.878 -0.806 -1.427 70 HA CYS 11 HA CYS 11 -3.822 -2.640 -2.460 71 HB2 CYS 11 HB2 CYS 11 -4.362 -2.387 0.081 72 HB3 CYS 11 HB3 CYS 11 -5.772 -3.372 -0.299 73 HA PRO 12 HA PRO 12 -7.394 -3.705 -5.091 74 HB2 PRO 12 HB2 PRO 12 -5.869 -4.673 -7.118 75 HB3 PRO 12 HB3 PRO 12 -6.216 -2.952 -6.914 76 HG2 PRO 12 HG2 PRO 12 -3.772 -4.498 -6.137 77 HG3 PRO 12 HG3 PRO 12 -3.891 -2.902 -6.902 78 HD2 PRO 12 HD2 PRO 12 -3.411 -3.219 -4.255 79 HD3 PRO 12 HD3 PRO 12 -4.321 -1.838 -4.903 80 H MET 13 H MET 13 -4.986 -5.470 -3.502 81 HA MET 13 HA MET 13 -5.621 -8.065 -4.544 82 HB2 MET 13 HB2 MET 13 -3.945 -7.024 -2.297 83 HB3 MET 13 HB3 MET 13 -4.369 -8.730 -2.327 84 HG2 MET 13 HG2 MET 13 -2.410 -8.824 -3.454 85 HG3 MET 13 HG3 MET 13 -3.498 -8.535 -4.811 86 HE1 MET 13 HE1 MET 13 -1.235 -6.254 -2.164 87 HE2 MET 13 HE2 MET 13 -0.563 -7.692 -2.929 88 HE3 MET 13 HE3 MET 13 -0.024 -6.091 -3.435 89 H CYS 14 H CYS 14 -6.572 -6.160 -1.736 90 HA CYS 14 HA CYS 14 -8.628 -8.189 -1.150 91 HB2 CYS 14 HB2 CYS 14 -8.454 -7.657 1.207 92 HB3 CYS 14 HB3 CYS 14 -6.863 -8.096 0.596 93 H GLN 15 H GLN 15 -8.320 -5.392 -2.590 94 HA GLN 15 HA GLN 15 -9.663 -3.608 -3.020 95 HB2 GLN 15 HB2 GLN 15 -11.585 -5.586 -1.849 96 HB3 GLN 15 HB3 GLN 15 -12.130 -3.957 -2.226 97 HG2 GLN 15 HG2 GLN 15 -11.030 -4.461 -4.549 98 HG3 GLN 15 HG3 GLN 15 -11.261 -6.137 -4.051 99 HE21 GLN 15 HE21 GLN 15 -13.065 -3.078 -4.083 100 HE22 GLN 15 HE22 GLN 15 -14.553 -3.765 -4.627 101 H LYS 16 H LYS 16 -8.053 -3.109 -0.969 102 HA LYS 16 HA LYS 16 -9.759 -1.854 1.080 103 HB2 LYS 16 HB2 LYS 16 -8.290 -3.488 2.076 104 HB3 LYS 16 HB3 LYS 16 -6.898 -2.811 1.241 105 HG2 LYS 16 HG2 LYS 16 -7.168 -0.730 2.533 106 HG3 LYS 16 HG3 LYS 16 -8.507 -1.477 3.409 107 HD2 LYS 16 HD2 LYS 16 -6.902 -3.298 4.083 108 HD3 LYS 16 HD3 LYS 16 -5.609 -2.303 3.410 109 HE2 LYS 16 HE2 LYS 16 -5.537 -1.635 5.597 110 HE3 LYS 16 HE3 LYS 16 -6.678 -0.457 4.950 111 HZ1 LYS 16 HZ1 LYS 16 -7.342 -2.935 6.445 112 HZ2 LYS 16 HZ2 LYS 16 -8.488 -1.930 5.713 113 HZ3 LYS 16 HZ3 LYS 16 -7.536 -1.343 6.983 114 H GLU 17 H GLU 17 -9.324 0.275 1.716 115 HA GLU 17 HA GLU 17 -7.778 1.816 -0.257 116 HB2 GLU 17 HB2 GLU 17 -10.259 2.376 1.298 117 HB3 GLU 17 HB3 GLU 17 -9.210 3.730 0.904 118 HG2 GLU 17 HG2 GLU 17 -9.338 3.024 -1.491 119 HG3 GLU 17 HG3 GLU 17 -10.561 1.848 -1.012 120 H PHE 18 H PHE 18 -5.994 2.837 0.367 121 HA PHE 18 HA PHE 18 -5.183 2.721 3.138 122 HB2 PHE 18 HB2 PHE 18 -3.784 3.794 0.680 123 HB3 PHE 18 HB3 PHE 18 -3.058 3.713 2.282 124 HD1 PHE 18 HD2 PHE 18 -3.931 1.101 3.242 125 HD2 PHE 18 HD1 PHE 18 -2.612 2.292 -0.626 126 HE1 PHE 18 HE2 PHE 18 -3.189 -1.200 2.789 127 HE2 PHE 18 HE1 PHE 18 -1.868 -0.007 -1.085 128 HZ PHE 18 HZ PHE 18 -2.157 -1.758 0.624 129 H ALA 19 H ALA 19 -5.266 4.325 4.580 130 HA ALA 19 HA ALA 19 -6.727 6.674 4.102 131 HB1 ALA 19 HB1 ALA 19 -5.806 5.353 6.328 132 HB2 ALA 19 HB2 ALA 19 -4.888 6.860 6.352 133 HB3 ALA 19 HB3 ALA 19 -6.650 6.902 6.321 134 HA PRO 20 HA PRO 20 -3.854 9.593 2.527 135 HB2 PRO 20 HB2 PRO 20 -4.548 11.861 3.849 136 HB3 PRO 20 HB3 PRO 20 -5.549 11.144 2.581 137 HG2 PRO 20 HG2 PRO 20 -5.823 10.935 5.554 138 HG3 PRO 20 HG3 PRO 20 -7.081 11.188 4.329 139 HD2 PRO 20 HD2 PRO 20 -6.604 8.769 5.453 140 HD3 PRO 20 HD3 PRO 20 -7.170 8.950 3.780 141 H ARG 21 H ARG 21 -3.956 9.005 5.939 142 HA ARG 21 HA ARG 21 -1.635 10.587 6.569 143 HB2 ARG 21 HB2 ARG 21 -2.684 8.383 8.314 144 HB3 ARG 21 HB3 ARG 21 -1.936 9.905 8.781 145 HG2 ARG 21 HG2 ARG 21 -4.039 10.982 7.723 146 HG3 ARG 21 HG3 ARG 21 -4.737 9.371 7.896 147 HD2 ARG 21 HD2 ARG 21 -5.309 10.644 9.839 148 HD3 ARG 21 HD3 ARG 21 -4.114 9.435 10.307 149 HE ARG 21 HE ARG 21 -2.720 11.749 9.683 150 HH11 ARG 21 HH11 ARG 21 -5.093 10.709 12.007 151 HH12 ARG 21 HH12 ARG 21 -4.562 11.808 13.237 152 HH21 ARG 21 HH21 ARG 21 -2.011 13.200 11.293 153 HH22 ARG 21 HH22 ARG 21 -2.808 13.225 12.829 154 H LEU 22 H LEU 22 -2.297 7.299 5.634 155 HA LEU 22 HA LEU 22 -0.016 5.991 6.507 156 HB2 LEU 22 HB2 LEU 22 -1.741 5.639 4.080 157 HB3 LEU 22 HB3 LEU 22 -0.345 4.603 4.368 158 HG LEU 22 HG LEU 22 -2.740 4.879 6.184 159 HD11 LEU 22 HD11 LEU 22 -3.078 2.477 5.490 160 HD12 LEU 22 HD12 LEU 22 -1.918 2.778 4.197 161 HD13 LEU 22 HD13 LEU 22 -3.425 3.692 4.260 162 HD21 LEU 22 HD21 LEU 22 -1.170 2.568 6.691 163 HD22 LEU 22 HD22 LEU 22 -1.511 3.924 7.765 164 HD23 LEU 22 HD23 LEU 22 -0.102 3.971 6.703 165 H THR 23 H THR 23 1.910 5.355 5.330 166 HA THR 23 HA THR 23 2.838 7.462 3.487 167 HB THR 23 HB THR 23 5.174 6.706 4.358 168 HG1 THR 23 HG1 THR 23 3.586 6.029 6.621 169 HG21 THR 23 HG21 THR 23 3.977 8.910 4.749 170 HG22 THR 23 HG22 THR 23 5.164 8.445 5.967 171 HG23 THR 23 HG23 THR 23 3.443 8.238 6.288 172 H GLN 24 H GLN 24 4.684 6.735 2.075 173 HA GLN 24 HA GLN 24 3.919 4.689 0.392 174 HB2 GLN 24 HB2 GLN 24 5.498 6.374 -0.317 175 HB3 GLN 24 HB3 GLN 24 6.676 5.827 0.870 176 HG2 GLN 24 HG2 GLN 24 7.314 5.044 -1.304 177 HG3 GLN 24 HG3 GLN 24 6.823 3.672 -0.311 178 HE21 GLN 24 HE21 GLN 24 4.765 2.721 -0.698 179 HE22 GLN 24 HE22 GLN 24 4.014 2.853 -2.247 180 H LEU 25 H LEU 25 5.915 4.552 3.265 181 HA LEU 25 HA LEU 25 6.868 1.896 2.838 182 HB2 LEU 25 HB2 LEU 25 7.775 2.027 5.016 183 HB3 LEU 25 HB3 LEU 25 7.943 3.628 4.298 184 HG LEU 25 HG LEU 25 5.650 4.013 5.604 185 HD11 LEU 25 HD11 LEU 25 6.584 2.720 7.894 186 HD12 LEU 25 HD12 LEU 25 6.633 1.505 6.617 187 HD13 LEU 25 HD13 LEU 25 5.126 2.349 6.974 188 HD21 LEU 25 HD21 LEU 25 7.999 5.105 5.776 189 HD22 LEU 25 HD22 LEU 25 8.178 4.085 7.203 190 HD23 LEU 25 HD23 LEU 25 6.868 5.264 7.120 191 H ASP 26 H ASP 26 4.098 3.310 4.464 192 HA ASP 26 HA ASP 26 3.254 1.007 5.858 193 HB2 ASP 26 HB2 ASP 26 1.783 3.457 4.890 194 HB3 ASP 26 HB3 ASP 26 0.985 2.177 5.801 195 H VAL 27 H VAL 27 2.378 2.293 2.668 196 HA VAL 27 HA VAL 27 0.420 0.451 1.973 197 HB VAL 27 HB VAL 27 2.447 1.753 0.148 198 HG11 VAL 27 HG11 VAL 27 1.527 0.612 -1.517 199 HG12 VAL 27 HG12 VAL 27 0.453 -0.209 -0.383 200 HG13 VAL 27 HG13 VAL 27 -0.043 1.312 -1.125 201 HG21 VAL 27 HG21 VAL 27 1.357 3.534 1.135 202 HG22 VAL 27 HG22 VAL 27 0.348 3.234 -0.280 203 HG23 VAL 27 HG23 VAL 27 -0.160 2.649 1.304 204 H ASP 28 H ASP 28 3.906 0.306 1.235 205 HA ASP 28 HA ASP 28 3.885 -2.205 0.004 206 HB2 ASP 28 HB2 ASP 28 5.777 -0.332 0.356 207 HB3 ASP 28 HB3 ASP 28 6.274 -1.467 1.607 208 H SER 29 H SER 29 4.133 -1.292 3.393 209 HA SER 29 HA SER 29 4.920 -3.723 4.489 210 HB2 SER 29 HB2 SER 29 4.460 -1.355 5.573 211 HB3 SER 29 HB3 SER 29 2.886 -2.066 5.926 212 HG SER 29 HG SER 29 4.215 -3.885 6.803 213 H HIS 30 H HIS 30 1.611 -2.500 3.988 214 HA HIS 30 HA HIS 30 0.370 -4.927 4.812 215 HB2 HIS 30 HB2 HIS 30 -0.803 -2.784 4.946 216 HB3 HIS 30 HB3 HIS 30 -0.734 -2.619 3.195 217 HD1 HIS 30 HD1 HIS 30 -2.958 -3.642 5.777 218 HD2 HIS 30 HD2 HIS 30 -2.163 -4.960 1.918 219 HE1 HIS 30 HE1 HIS 30 -4.974 -4.981 5.095 220 H LEU 31 H LEU 31 1.348 -3.586 1.712 221 HA LEU 31 HA LEU 31 0.017 -5.391 0.032 222 HB2 LEU 31 HB2 LEU 31 2.531 -3.781 -0.278 223 HB3 LEU 31 HB3 LEU 31 1.950 -4.842 -1.560 224 HG LEU 31 HG LEU 31 0.347 -2.566 -0.404 225 HD11 LEU 31 HD11 LEU 31 2.411 -1.773 -1.503 226 HD12 LEU 31 HD12 LEU 31 0.947 -1.296 -2.361 227 HD13 LEU 31 HD13 LEU 31 1.929 -2.628 -2.969 228 HD21 LEU 31 HD21 LEU 31 -0.925 -4.407 -1.458 229 HD22 LEU 31 HD22 LEU 31 -0.007 -4.154 -2.943 230 HD23 LEU 31 HD23 LEU 31 -1.065 -2.882 -2.333 231 H ALA 32 H ALA 32 2.809 -5.765 2.024 232 HA ALA 32 HA ALA 32 3.802 -8.101 0.647 233 HB1 ALA 32 HB1 ALA 32 4.627 -7.331 3.416 234 HB2 ALA 32 HB2 ALA 32 5.577 -8.076 2.131 235 HB3 ALA 32 HB3 ALA 32 5.146 -6.370 2.032 236 H GLN 33 H GLN 33 2.095 -7.421 3.684 237 HA GLN 33 HA GLN 33 1.928 -10.164 4.456 238 HB2 GLN 33 HB2 GLN 33 0.506 -7.681 5.407 239 HB3 GLN 33 HB3 GLN 33 0.214 -9.270 6.100 240 HG2 GLN 33 HG2 GLN 33 2.799 -9.298 6.415 241 HG3 GLN 33 HG3 GLN 33 2.640 -7.549 6.264 242 HE21 GLN 33 HE21 GLN 33 3.505 -9.022 8.561 243 HE22 GLN 33 HE22 GLN 33 2.389 -8.681 9.834 244 H CYS 34 H CYS 34 -0.079 -7.982 2.486 245 HA CYS 34 HA CYS 34 -2.425 -9.499 2.655 246 HB2 CYS 34 HB2 CYS 34 -2.006 -7.076 1.748 247 HB3 CYS 34 HB3 CYS 34 -1.706 -7.879 0.219 248 H LEU 35 H LEU 35 0.159 -9.297 0.209 249 HA LEU 35 HA LEU 35 -0.758 -11.452 -1.379 250 HB2 LEU 35 HB2 LEU 35 1.102 -11.108 -2.682 251 HB3 LEU 35 HB3 LEU 35 0.897 -9.530 -1.926 252 HG LEU 35 HG LEU 35 2.612 -10.572 -0.182 253 HD11 LEU 35 HD11 LEU 35 2.633 -12.426 -2.397 254 HD12 LEU 35 HD12 LEU 35 3.419 -12.540 -0.823 255 HD13 LEU 35 HD13 LEU 35 4.220 -11.697 -2.147 256 HD21 LEU 35 HD21 LEU 35 3.897 -9.694 -2.697 257 HD22 LEU 35 HD22 LEU 35 4.105 -9.105 -1.047 258 HD23 LEU 35 HD23 LEU 35 2.702 -8.605 -1.993 259 H ALA 36 H ALA 36 1.242 -11.258 1.457 260 HA ALA 36 HA ALA 36 2.395 -13.865 1.209 261 HB1 ALA 36 HB1 ALA 36 2.282 -11.803 3.367 262 HB2 ALA 36 HB2 ALA 36 2.831 -13.438 3.740 263 HB3 ALA 36 HB3 ALA 36 3.680 -12.476 2.529 264 H GLU 37 H GLU 37 -0.488 -12.532 2.689 265 HA GLU 37 HA GLU 37 -1.198 -15.214 3.675 266 HB2 GLU 37 HB2 GLU 37 -2.081 -12.467 4.551 267 HB3 GLU 37 HB3 GLU 37 -2.917 -13.932 5.048 268 HG2 GLU 37 HG2 GLU 37 -0.663 -14.731 5.916 269 HG3 GLU 37 HG3 GLU 37 -0.123 -13.067 5.703 270 H SER 38 H SER 38 -1.468 -14.218 0.914 271 HA SER 38 HA SER 38 -4.324 -13.861 0.545 272 HB2 SER 38 HB2 SER 38 -3.748 -13.706 -1.864 273 HB3 SER 38 HB3 SER 38 -2.815 -12.579 -0.878 274 HG SER 38 HG SER 38 -1.184 -13.472 -1.867 275 H THR 39 H THR 39 -4.093 -16.194 1.765 276 HA THR 39 HA THR 39 -4.136 -18.276 -0.307 277 HB THR 39 HB THR 39 -4.241 -19.810 1.786 278 HG1 THR 39 HG1 THR 39 -3.864 -18.886 3.671 279 HG21 THR 39 HG21 THR 39 -2.239 -20.144 0.815 280 HG22 THR 39 HG22 THR 39 -1.620 -19.104 2.098 281 HG23 THR 39 HG23 THR 39 -1.991 -18.424 0.514 282 H GLU 40 H GLU 40 -6.102 -16.589 2.001 283 HA GLU 40 HA GLU 40 -8.314 -18.459 1.716 284 HB2 GLU 40 HB2 GLU 40 -8.056 -15.887 3.282 285 HB3 GLU 40 HB3 GLU 40 -9.483 -16.914 3.283 286 HG2 GLU 40 HG2 GLU 40 -7.844 -18.770 4.034 287 HG3 GLU 40 HG3 GLU 40 -6.789 -17.425 4.462 288 H ASP 41 H ASP 41 -7.991 -17.749 -0.720 289 HA ASP 41 HA ASP 41 -9.514 -15.332 -1.327 290 HB2 ASP 41 HB2 ASP 41 -7.976 -17.251 -3.084 291 HB3 ASP 41 HB3 ASP 41 -8.890 -15.878 -3.701 292 H VAL 42 H VAL 42 -11.156 -17.049 -0.112 293 HA VAL 42 HA VAL 42 -12.804 -18.105 -2.314 294 HB VAL 42 HB VAL 42 -12.647 -19.328 0.441 295 HG11 VAL 42 HG11 VAL 42 -13.614 -21.030 -1.665 296 HG12 VAL 42 HG12 VAL 42 -14.400 -20.555 -0.158 297 HG13 VAL 42 HG13 VAL 42 -14.556 -19.541 -1.593 298 HG21 VAL 42 HG21 VAL 42 -10.653 -20.097 -0.265 299 HG22 VAL 42 HG22 VAL 42 -11.630 -21.214 -1.218 300 HG23 VAL 42 HG23 VAL 42 -10.998 -19.743 -1.958 301 H THR 43 H THR 43 -13.531 -15.748 -1.976 302 HA THR 43 HA THR 43 -15.748 -15.760 -0.035 303 HB THR 43 HB THR 43 -14.439 -13.184 -0.825 304 HG1 THR 43 HG1 THR 43 -12.948 -13.410 0.808 305 HG21 THR 43 HG21 THR 43 -15.160 -13.065 1.817 306 HG22 THR 43 HG22 THR 43 -16.389 -14.134 1.141 307 HG23 THR 43 HG23 THR 43 -16.154 -12.521 0.465 308 H TRP 44 H TRP 44 -15.557 -16.417 -2.944 309 HA TRP 44 HA TRP 44 -17.787 -14.740 -3.791 310 HB2 TRP 44 HB2 TRP 44 -15.180 -14.985 -5.280 311 HB3 TRP 44 HB3 TRP 44 -16.681 -14.574 -6.104 312 HD1 TRP 44 HD1 TRP 44 -17.984 -12.450 -4.358 313 HE1 TRP 44 HE1 TRP 44 -16.863 -10.183 -3.878 314 HE3 TRP 44 HE3 TRP 44 -13.127 -13.726 -5.320 315 HZ2 TRP 44 HZ2 TRP 44 -14.265 -9.082 -3.906 316 HZ3 TRP 44 HZ3 TRP 44 -11.385 -12.007 -5.069 317 HH2 TRP 44 HH2 TRP 44 -11.943 -9.734 -4.377 Start of MODEL 8 1 H1 SER 1 H SER 1 0.149 16.216 -5.687 2 HA SER 1 HA SER 1 -0.135 15.818 -8.582 3 HB2 SER 1 HB2 SER 1 1.733 17.496 -6.919 4 HB3 SER 1 HB3 SER 1 2.077 17.140 -8.610 5 HG SER 1 HG SER 1 0.864 19.134 -8.142 6 H HIS 2 H HIS 2 0.435 13.819 -9.159 7 HA HIS 2 HA HIS 2 2.931 12.716 -8.043 8 HB2 HIS 2 HB2 HIS 2 0.565 11.145 -9.084 9 HB3 HIS 2 HB3 HIS 2 2.017 10.487 -8.335 10 HD1 HIS 2 HD1 HIS 2 -1.202 12.201 -7.528 11 HD2 HIS 2 HD2 HIS 2 2.103 10.656 -5.540 12 HE1 HIS 2 HE1 HIS 2 -1.851 12.131 -5.099 13 H MET 3 H MET 3 4.200 13.645 -9.686 14 HA MET 3 HA MET 3 3.698 13.464 -12.432 15 HB2 MET 3 HB2 MET 3 6.002 14.052 -12.754 16 HB3 MET 3 HB3 MET 3 5.409 14.931 -11.350 17 HG2 MET 3 HG2 MET 3 6.438 13.178 -9.909 18 HG3 MET 3 HG3 MET 3 7.153 12.483 -11.362 19 HE1 MET 3 HE1 MET 3 9.715 13.989 -9.026 20 HE2 MET 3 HE2 MET 3 8.543 15.199 -8.506 21 HE3 MET 3 HE3 MET 3 8.066 13.505 -8.627 22 H GLY 4 H GLY 4 5.026 11.156 -10.176 23 HA2 GLY 4 HA2 GLY 4 5.173 9.201 -12.378 24 HA3 GLY 4 HA3 GLY 4 6.473 9.319 -11.202 25 H ALA 5 H ALA 5 5.329 6.914 -11.510 26 HA ALA 5 HA ALA 5 3.687 6.637 -9.078 27 HB1 ALA 5 HB1 ALA 5 2.292 6.247 -11.028 28 HB2 ALA 5 HB2 ALA 5 3.431 5.038 -11.623 29 HB3 ALA 5 HB3 ALA 5 2.533 4.747 -10.133 30 H ALA 6 H ALA 6 4.635 5.463 -7.556 31 HA ALA 6 HA ALA 6 6.534 3.362 -8.362 32 HB1 ALA 6 HB1 ALA 6 6.882 5.284 -6.063 33 HB2 ALA 6 HB2 ALA 6 7.952 3.936 -6.453 34 HB3 ALA 6 HB3 ALA 6 7.795 5.290 -7.572 35 H ALA 7 H ALA 7 3.628 3.781 -7.153 36 HA ALA 7 HA ALA 7 3.497 1.279 -5.868 37 HB1 ALA 7 HB1 ALA 7 2.943 3.389 -3.849 38 HB2 ALA 7 HB2 ALA 7 3.465 1.718 -3.628 39 HB3 ALA 7 HB3 ALA 7 4.624 2.941 -4.149 40 H LEU 8 H LEU 8 1.301 1.166 -4.549 41 HA LEU 8 HA LEU 8 -0.708 2.480 -6.247 42 HB2 LEU 8 HB2 LEU 8 -1.279 0.132 -4.485 43 HB3 LEU 8 HB3 LEU 8 -2.105 0.648 -5.954 44 HG LEU 8 HG LEU 8 0.293 0.023 -6.988 45 HD11 LEU 8 HD11 LEU 8 0.118 -2.307 -5.246 46 HD12 LEU 8 HD12 LEU 8 0.616 -0.839 -4.407 47 HD13 LEU 8 HD13 LEU 8 1.530 -1.408 -5.804 48 HD21 LEU 8 HD21 LEU 8 -0.707 -1.999 -7.766 49 HD22 LEU 8 HD22 LEU 8 -1.984 -0.790 -7.630 50 HD23 LEU 8 HD23 LEU 8 -1.820 -2.043 -6.398 51 H ARG 9 H ARG 9 -2.422 3.578 -5.367 52 HA ARG 9 HA ARG 9 -2.052 4.543 -2.669 53 HB2 ARG 9 HB2 ARG 9 -2.930 5.759 -4.897 54 HB3 ARG 9 HB3 ARG 9 -4.477 5.278 -4.214 55 HG2 ARG 9 HG2 ARG 9 -4.008 7.491 -3.482 56 HG3 ARG 9 HG3 ARG 9 -3.817 6.413 -2.097 57 HD2 ARG 9 HD2 ARG 9 -1.394 6.416 -2.428 58 HD3 ARG 9 HD3 ARG 9 -1.584 7.482 -3.820 59 HE ARG 9 HE ARG 9 -2.748 8.582 -1.460 60 HH11 ARG 9 HH11 ARG 9 0.261 8.103 -3.145 61 HH12 ARG 9 HH12 ARG 9 1.036 9.471 -2.418 62 HH21 ARG 9 HH21 ARG 9 -1.738 10.385 -0.497 63 HH22 ARG 9 HH22 ARG 9 -0.102 10.769 -0.911 64 H SER 10 H SER 10 -3.427 1.838 -3.871 65 HA SER 10 HA SER 10 -5.050 1.466 -1.497 66 HB2 SER 10 HB2 SER 10 -6.885 0.501 -3.169 67 HB3 SER 10 HB3 SER 10 -6.883 2.195 -2.677 68 HG SER 10 HG SER 10 -6.892 1.415 -5.086 69 H CYS 11 H CYS 11 -5.989 -0.829 -1.499 70 HA CYS 11 HA CYS 11 -3.932 -2.638 -2.571 71 HB2 CYS 11 HB2 CYS 11 -4.423 -2.394 -0.021 72 HB3 CYS 11 HB3 CYS 11 -5.836 -3.385 -0.373 73 HA PRO 12 HA PRO 12 -7.529 -3.754 -5.143 74 HB2 PRO 12 HB2 PRO 12 -6.022 -4.726 -7.183 75 HB3 PRO 12 HB3 PRO 12 -6.378 -3.005 -6.986 76 HG2 PRO 12 HG2 PRO 12 -3.914 -4.530 -6.229 77 HG3 PRO 12 HG3 PRO 12 -4.053 -2.940 -7.003 78 HD2 PRO 12 HD2 PRO 12 -3.539 -3.234 -4.362 79 HD3 PRO 12 HD3 PRO 12 -4.466 -1.864 -5.007 80 H MET 13 H MET 13 -5.088 -5.492 -3.573 81 HA MET 13 HA MET 13 -5.719 -8.098 -4.589 82 HB2 MET 13 HB2 MET 13 -3.966 -6.990 -2.460 83 HB3 MET 13 HB3 MET 13 -4.457 -8.671 -2.303 84 HG2 MET 13 HG2 MET 13 -2.557 -8.973 -3.489 85 HG3 MET 13 HG3 MET 13 -3.679 -8.749 -4.830 86 HE1 MET 13 HE1 MET 13 -0.035 -6.401 -3.797 87 HE2 MET 13 HE2 MET 13 -1.209 -6.326 -2.484 88 HE3 MET 13 HE3 MET 13 -0.666 -7.890 -3.093 89 H CYS 14 H CYS 14 -6.633 -6.186 -1.771 90 HA CYS 14 HA CYS 14 -8.674 -8.219 -1.146 91 HB2 CYS 14 HB2 CYS 14 -8.467 -7.674 1.205 92 HB3 CYS 14 HB3 CYS 14 -6.884 -8.112 0.571 93 H GLN 15 H GLN 15 -8.401 -5.429 -2.604 94 HA GLN 15 HA GLN 15 -9.758 -3.651 -3.020 95 HB2 GLN 15 HB2 GLN 15 -11.656 -5.632 -1.812 96 HB3 GLN 15 HB3 GLN 15 -12.212 -4.007 -2.195 97 HG2 GLN 15 HG2 GLN 15 -11.466 -4.348 -4.528 98 HG3 GLN 15 HG3 GLN 15 -11.050 -6.011 -4.114 99 HE21 GLN 15 HE21 GLN 15 -12.529 -6.756 -5.669 100 HE22 GLN 15 HE22 GLN 15 -14.230 -6.747 -5.369 101 H LYS 16 H LYS 16 -8.121 -3.135 -0.994 102 HA LYS 16 HA LYS 16 -9.804 -1.888 1.079 103 HB2 LYS 16 HB2 LYS 16 -8.303 -3.504 2.054 104 HB3 LYS 16 HB3 LYS 16 -6.932 -2.820 1.191 105 HG2 LYS 16 HG2 LYS 16 -6.947 -0.866 2.522 106 HG3 LYS 16 HG3 LYS 16 -8.522 -1.265 3.211 107 HD2 LYS 16 HD2 LYS 16 -7.426 -3.338 4.168 108 HD3 LYS 16 HD3 LYS 16 -5.882 -2.626 3.700 109 HE2 LYS 16 HE2 LYS 16 -6.095 -0.869 5.210 110 HE3 LYS 16 HE3 LYS 16 -7.841 -1.073 5.349 111 HZ1 LYS 16 HZ1 LYS 16 -5.754 -2.873 6.453 112 HZ2 LYS 16 HZ2 LYS 16 -7.413 -3.198 6.494 113 HZ3 LYS 16 HZ3 LYS 16 -6.792 -1.867 7.333 114 H GLU 17 H GLU 17 -9.356 0.244 1.718 115 HA GLU 17 HA GLU 17 -7.885 1.797 -0.301 116 HB2 GLU 17 HB2 GLU 17 -10.230 2.454 1.461 117 HB3 GLU 17 HB3 GLU 17 -9.257 3.728 0.741 118 HG2 GLU 17 HG2 GLU 17 -9.712 2.675 -1.491 119 HG3 GLU 17 HG3 GLU 17 -10.874 1.629 -0.675 120 H PHE 18 H PHE 18 -6.083 2.824 0.262 121 HA PHE 18 HA PHE 18 -5.172 2.701 3.002 122 HB2 PHE 18 HB2 PHE 18 -3.873 3.783 0.494 123 HB3 PHE 18 HB3 PHE 18 -3.087 3.721 2.068 124 HD1 PHE 18 HD2 PHE 18 -3.989 1.083 3.037 125 HD2 PHE 18 HD1 PHE 18 -2.641 2.310 -0.808 126 HE1 PHE 18 HE2 PHE 18 -3.239 -1.213 2.571 127 HE2 PHE 18 HE1 PHE 18 -1.889 0.015 -1.281 128 HZ PHE 18 HZ PHE 18 -2.188 -1.750 0.410 129 H ALA 19 H ALA 19 -5.123 4.319 4.444 130 HA ALA 19 HA ALA 19 -6.626 6.675 4.001 131 HB1 ALA 19 HB1 ALA 19 -5.296 7.279 6.250 132 HB2 ALA 19 HB2 ALA 19 -6.689 6.197 6.210 133 HB3 ALA 19 HB3 ALA 19 -5.056 5.532 6.226 134 HA PRO 20 HA PRO 20 -3.722 9.580 2.462 135 HB2 PRO 20 HB2 PRO 20 -4.376 11.837 3.822 136 HB3 PRO 20 HB3 PRO 20 -5.394 11.154 2.548 137 HG2 PRO 20 HG2 PRO 20 -5.654 10.903 5.520 138 HG3 PRO 20 HG3 PRO 20 -6.915 11.192 4.307 139 HD2 PRO 20 HD2 PRO 20 -6.467 8.751 5.390 140 HD3 PRO 20 HD3 PRO 20 -7.039 8.965 3.723 141 H ARG 21 H ARG 21 -3.916 9.217 5.948 142 HA ARG 21 HA ARG 21 -1.528 10.657 6.538 143 HB2 ARG 21 HB2 ARG 21 -1.748 9.748 8.775 144 HB3 ARG 21 HB3 ARG 21 -3.322 10.277 8.197 145 HG2 ARG 21 HG2 ARG 21 -3.918 8.276 9.076 146 HG3 ARG 21 HG3 ARG 21 -3.485 7.740 7.451 147 HD2 ARG 21 HD2 ARG 21 -1.469 6.832 8.149 148 HD3 ARG 21 HD3 ARG 21 -1.415 7.822 9.606 149 HE ARG 21 HE ARG 21 -2.705 5.275 9.288 150 HH11 ARG 21 HH11 ARG 21 -2.664 8.254 11.091 151 HH12 ARG 21 HH12 ARG 21 -3.414 7.567 12.493 152 HH21 ARG 21 HH21 ARG 21 -3.693 4.360 11.129 153 HH22 ARG 21 HH22 ARG 21 -3.999 5.352 12.514 154 H LEU 22 H LEU 22 -2.231 7.429 5.516 155 HA LEU 22 HA LEU 22 0.034 6.078 6.449 156 HB2 LEU 22 HB2 LEU 22 -1.733 5.689 4.056 157 HB3 LEU 22 HB3 LEU 22 -0.359 4.630 4.369 158 HG LEU 22 HG LEU 22 -2.694 5.034 6.238 159 HD11 LEU 22 HD11 LEU 22 -2.080 2.617 4.556 160 HD12 LEU 22 HD12 LEU 22 -3.205 3.879 4.058 161 HD13 LEU 22 HD13 LEU 22 -3.525 2.941 5.516 162 HD21 LEU 22 HD21 LEU 22 -0.086 3.907 6.596 163 HD22 LEU 22 HD22 LEU 22 -1.303 2.639 6.734 164 HD23 LEU 22 HD23 LEU 22 -1.400 4.069 7.761 165 H THR 23 H THR 23 2.023 5.594 5.487 166 HA THR 23 HA THR 23 2.920 7.592 3.524 167 HB THR 23 HB THR 23 5.250 6.683 4.364 168 HG1 THR 23 HG1 THR 23 4.986 6.215 6.689 169 HG21 THR 23 HG21 THR 23 4.326 8.992 4.618 170 HG22 THR 23 HG22 THR 23 5.348 8.477 5.959 171 HG23 THR 23 HG23 THR 23 3.593 8.477 6.136 172 H GLN 24 H GLN 24 4.888 6.747 2.214 173 HA GLN 24 HA GLN 24 3.993 4.769 0.464 174 HB2 GLN 24 HB2 GLN 24 6.297 4.801 -0.454 175 HB3 GLN 24 HB3 GLN 24 5.621 6.411 -0.237 176 HG2 GLN 24 HG2 GLN 24 6.863 6.516 1.948 177 HG3 GLN 24 HG3 GLN 24 7.684 5.035 1.458 178 HE21 GLN 24 HE21 GLN 24 8.393 8.020 1.830 179 HE22 GLN 24 HE22 GLN 24 9.345 8.368 0.431 180 H LEU 25 H LEU 25 6.116 4.561 3.263 181 HA LEU 25 HA LEU 25 6.940 1.878 2.834 182 HB2 LEU 25 HB2 LEU 25 7.908 1.976 4.971 183 HB3 LEU 25 HB3 LEU 25 8.058 3.599 4.300 184 HG LEU 25 HG LEU 25 5.800 3.946 5.670 185 HD11 LEU 25 HD11 LEU 25 5.364 1.994 6.739 186 HD12 LEU 25 HD12 LEU 25 6.445 2.711 7.934 187 HD13 LEU 25 HD13 LEU 25 7.059 1.512 6.795 188 HD21 LEU 25 HD21 LEU 25 8.628 4.043 6.699 189 HD22 LEU 25 HD22 LEU 25 7.255 4.726 7.571 190 HD23 LEU 25 HD23 LEU 25 7.689 5.350 5.978 191 H ASP 26 H ASP 26 4.246 3.362 4.534 192 HA ASP 26 HA ASP 26 3.353 1.054 5.894 193 HB2 ASP 26 HB2 ASP 26 2.128 3.677 5.146 194 HB3 ASP 26 HB3 ASP 26 1.081 2.387 5.731 195 H VAL 27 H VAL 27 2.494 2.445 2.749 196 HA VAL 27 HA VAL 27 0.430 0.707 2.064 197 HB VAL 27 HB VAL 27 2.455 1.973 0.213 198 HG11 VAL 27 HG11 VAL 27 -0.132 1.672 -0.941 199 HG12 VAL 27 HG12 VAL 27 1.402 0.977 -1.469 200 HG13 VAL 27 HG13 VAL 27 0.391 0.110 -0.313 201 HG21 VAL 27 HG21 VAL 27 -0.293 2.987 0.892 202 HG22 VAL 27 HG22 VAL 27 1.154 3.501 1.760 203 HG23 VAL 27 HG23 VAL 27 0.998 3.825 0.033 204 H ASP 28 H ASP 28 3.889 0.457 1.231 205 HA ASP 28 HA ASP 28 3.721 -2.033 -0.052 206 HB2 ASP 28 HB2 ASP 28 5.889 -0.350 1.064 207 HB3 ASP 28 HB3 ASP 28 6.260 -2.059 0.865 208 H SER 29 H SER 29 4.102 -1.164 3.326 209 HA SER 29 HA SER 29 4.927 -3.590 4.390 210 HB2 SER 29 HB2 SER 29 4.427 -1.231 5.495 211 HB3 SER 29 HB3 SER 29 2.886 -1.996 5.880 212 HG SER 29 HG SER 29 5.419 -2.506 6.869 213 H HIS 30 H HIS 30 1.595 -2.423 3.920 214 HA HIS 30 HA HIS 30 0.394 -4.860 4.765 215 HB2 HIS 30 HB2 HIS 30 -0.823 -2.747 4.882 216 HB3 HIS 30 HB3 HIS 30 -0.737 -2.578 3.131 217 HD1 HIS 30 HD1 HIS 30 -2.948 -3.690 5.707 218 HD2 HIS 30 HD2 HIS 30 -2.142 -4.886 1.811 219 HE1 HIS 30 HE1 HIS 30 -4.942 -5.045 4.994 220 H LEU 31 H LEU 31 1.260 -3.506 1.625 221 HA LEU 31 HA LEU 31 -0.015 -5.355 -0.025 222 HB2 LEU 31 HB2 LEU 31 2.505 -3.756 -0.364 223 HB3 LEU 31 HB3 LEU 31 1.883 -4.804 -1.637 224 HG LEU 31 HG LEU 31 0.313 -2.526 -0.441 225 HD11 LEU 31 HD11 LEU 31 1.049 -1.102 -2.101 226 HD12 LEU 31 HD12 LEU 31 1.629 -2.418 -3.121 227 HD13 LEU 31 HD13 LEU 31 2.527 -1.966 -1.673 228 HD21 LEU 31 HD21 LEU 31 -0.041 -4.218 -2.911 229 HD22 LEU 31 HD22 LEU 31 -0.993 -2.782 -2.535 230 HD23 LEU 31 HD23 LEU 31 -1.074 -4.194 -1.482 231 H ALA 32 H ALA 32 2.767 -5.696 1.981 232 HA ALA 32 HA ALA 32 3.791 -8.030 0.622 233 HB1 ALA 32 HB1 ALA 32 5.624 -7.334 1.665 234 HB2 ALA 32 HB2 ALA 32 4.696 -6.247 2.698 235 HB3 ALA 32 HB3 ALA 32 4.922 -7.931 3.169 236 H GLN 33 H GLN 33 2.036 -7.351 3.631 237 HA GLN 33 HA GLN 33 1.891 -10.091 4.421 238 HB2 GLN 33 HB2 GLN 33 0.282 -7.699 5.329 239 HB3 GLN 33 HB3 GLN 33 0.272 -9.276 6.107 240 HG2 GLN 33 HG2 GLN 33 2.889 -7.935 5.744 241 HG3 GLN 33 HG3 GLN 33 1.790 -7.286 6.959 242 HE21 GLN 33 HE21 GLN 33 4.400 -8.790 7.068 243 HE22 GLN 33 HE22 GLN 33 4.099 -10.084 8.173 244 H CYS 34 H CYS 34 -0.111 -7.948 2.404 245 HA CYS 34 HA CYS 34 -2.441 -9.492 2.550 246 HB2 CYS 34 HB2 CYS 34 -2.012 -7.068 1.617 247 HB3 CYS 34 HB3 CYS 34 -1.727 -7.898 0.100 248 H LEU 35 H LEU 35 0.177 -9.276 0.142 249 HA LEU 35 HA LEU 35 -0.691 -11.457 -1.440 250 HB2 LEU 35 HB2 LEU 35 1.184 -11.103 -2.721 251 HB3 LEU 35 HB3 LEU 35 0.938 -9.518 -1.990 252 HG LEU 35 HG LEU 35 2.646 -10.505 -0.206 253 HD11 LEU 35 HD11 LEU 35 3.464 -12.481 -0.819 254 HD12 LEU 35 HD12 LEU 35 4.323 -11.621 -2.097 255 HD13 LEU 35 HD13 LEU 35 2.758 -12.362 -2.431 256 HD21 LEU 35 HD21 LEU 35 2.723 -8.551 -2.023 257 HD22 LEU 35 HD22 LEU 35 3.938 -9.624 -2.720 258 HD23 LEU 35 HD23 LEU 35 4.130 -9.026 -1.071 259 H ALA 36 H ALA 36 1.266 -11.209 1.419 260 HA ALA 36 HA ALA 36 2.494 -13.777 1.217 261 HB1 ALA 36 HB1 ALA 36 3.602 -12.198 2.570 262 HB2 ALA 36 HB2 ALA 36 2.141 -11.846 3.495 263 HB3 ALA 36 HB3 ALA 36 2.950 -13.402 3.682 264 H GLU 37 H GLU 37 -0.491 -12.560 2.596 265 HA GLU 37 HA GLU 37 -1.114 -15.220 3.663 266 HB2 GLU 37 HB2 GLU 37 -2.268 -12.486 4.161 267 HB3 GLU 37 HB3 GLU 37 -3.118 -13.946 4.651 268 HG2 GLU 37 HG2 GLU 37 -1.022 -14.582 5.914 269 HG3 GLU 37 HG3 GLU 37 -0.461 -12.938 5.614 270 H SER 38 H SER 38 -1.145 -14.512 0.795 271 HA SER 38 HA SER 38 -4.010 -14.851 0.216 272 HB2 SER 38 HB2 SER 38 -3.591 -13.959 -1.976 273 HB3 SER 38 HB3 SER 38 -2.820 -12.881 -0.813 274 HG SER 38 HG SER 38 -1.579 -14.863 -2.420 275 H THR 39 H THR 39 -2.293 -16.994 1.108 276 HA THR 39 HA THR 39 -2.073 -18.640 -1.320 277 HB THR 39 HB THR 39 -0.974 -19.503 1.330 278 HG1 THR 39 HG1 THR 39 0.955 -18.373 0.813 279 HG21 THR 39 HG21 THR 39 -0.572 -21.211 -0.115 280 HG22 THR 39 HG22 THR 39 0.831 -20.222 -0.520 281 HG23 THR 39 HG23 THR 39 -0.611 -20.164 -1.532 282 H GLU 40 H GLU 40 -4.573 -18.553 -0.927 283 HA GLU 40 HA GLU 40 -5.401 -20.615 0.982 284 HB2 GLU 40 HB2 GLU 40 -6.872 -18.482 -0.539 285 HB3 GLU 40 HB3 GLU 40 -7.738 -19.842 0.163 286 HG2 GLU 40 HG2 GLU 40 -5.876 -18.322 1.902 287 HG3 GLU 40 HG3 GLU 40 -7.412 -17.576 1.465 288 H ASP 41 H ASP 41 -3.933 -21.456 -1.273 289 HA ASP 41 HA ASP 41 -3.964 -22.944 -3.000 290 HB2 ASP 41 HB2 ASP 41 -6.530 -23.856 -1.684 291 HB3 ASP 41 HB3 ASP 41 -5.531 -24.800 -2.787 292 H VAL 42 H VAL 42 -5.088 -20.410 -3.580 293 HA VAL 42 HA VAL 42 -7.315 -21.063 -5.384 294 HB VAL 42 HB VAL 42 -6.344 -18.321 -4.573 295 HG11 VAL 42 HG11 VAL 42 -9.093 -18.500 -5.385 296 HG12 VAL 42 HG12 VAL 42 -7.791 -17.515 -6.055 297 HG13 VAL 42 HG13 VAL 42 -8.043 -19.162 -6.638 298 HG21 VAL 42 HG21 VAL 42 -7.212 -18.879 -2.573 299 HG22 VAL 42 HG22 VAL 42 -8.757 -18.597 -3.376 300 HG23 VAL 42 HG23 VAL 42 -8.125 -20.238 -3.230 301 H THR 43 H THR 43 -6.179 -21.942 -7.105 302 HA THR 43 HA THR 43 -4.297 -20.134 -8.472 303 HB THR 43 HB THR 43 -3.271 -22.263 -7.820 304 HG1 THR 43 HG1 THR 43 -2.480 -22.768 -9.898 305 HG21 THR 43 HG21 THR 43 -4.024 -24.370 -8.621 306 HG22 THR 43 HG22 THR 43 -5.208 -23.618 -9.690 307 HG23 THR 43 HG23 THR 43 -5.437 -23.564 -7.943 308 H TRP 44 H TRP 44 -7.255 -21.913 -8.731 309 HA TRP 44 HA TRP 44 -7.477 -21.833 -11.572 310 HB2 TRP 44 HB2 TRP 44 -9.677 -22.108 -9.512 311 HB3 TRP 44 HB3 TRP 44 -9.787 -22.522 -11.220 312 HD1 TRP 44 HD1 TRP 44 -8.539 -23.851 -7.897 313 HE1 TRP 44 HE1 TRP 44 -7.770 -26.289 -8.198 314 HE3 TRP 44 HE3 TRP 44 -8.741 -24.141 -12.997 315 HZ2 TRP 44 HZ2 TRP 44 -7.310 -28.096 -10.317 316 HZ3 TRP 44 HZ3 TRP 44 -8.119 -26.260 -14.083 317 HH2 TRP 44 HH2 TRP 44 -7.419 -28.195 -12.769 Start of MODEL 9 1 H1 SER 1 H SER 1 2.115 19.045 -12.175 2 HA SER 1 HA SER 1 4.528 19.157 -13.865 3 HB2 SER 1 HB2 SER 1 3.723 21.287 -12.520 4 HB3 SER 1 HB3 SER 1 4.494 20.455 -11.170 5 HG SER 1 HG SER 1 6.345 21.033 -11.954 6 H HIS 2 H HIS 2 3.654 16.725 -13.084 7 HA HIS 2 HA HIS 2 5.828 15.810 -11.441 8 HB2 HIS 2 HB2 HIS 2 3.934 16.522 -9.846 9 HB3 HIS 2 HB3 HIS 2 3.072 15.110 -10.452 10 HD1 HIS 2 HD1 HIS 2 3.954 12.788 -9.748 11 HD2 HIS 2 HD2 HIS 2 6.094 15.971 -8.152 12 HE1 HIS 2 HE1 HIS 2 5.395 11.792 -7.945 13 H MET 3 H MET 3 6.543 14.292 -12.799 14 HA MET 3 HA MET 3 4.741 12.103 -13.489 15 HB2 MET 3 HB2 MET 3 5.431 12.098 -15.830 16 HB3 MET 3 HB3 MET 3 4.653 13.619 -15.417 17 HG2 MET 3 HG2 MET 3 7.612 13.454 -15.230 18 HG3 MET 3 HG3 MET 3 6.871 13.535 -16.826 19 HE1 MET 3 HE1 MET 3 8.362 15.440 -17.161 20 HE2 MET 3 HE2 MET 3 6.930 16.183 -17.873 21 HE3 MET 3 HE3 MET 3 7.945 17.108 -16.766 22 H GLY 4 H GLY 4 5.836 10.142 -14.068 23 HA2 GLY 4 HA2 GLY 4 7.805 8.831 -14.346 24 HA3 GLY 4 HA3 GLY 4 8.732 10.114 -13.585 25 H ALA 5 H ALA 5 5.983 7.996 -12.753 26 HA ALA 5 HA ALA 5 7.389 6.851 -10.540 27 HB1 ALA 5 HB1 ALA 5 6.751 9.087 -9.640 28 HB2 ALA 5 HB2 ALA 5 5.059 8.632 -9.848 29 HB3 ALA 5 HB3 ALA 5 6.086 7.726 -8.736 30 H ALA 6 H ALA 6 6.541 4.910 -10.020 31 HA ALA 6 HA ALA 6 3.842 4.283 -11.026 32 HB1 ALA 6 HB1 ALA 6 4.941 1.879 -11.192 33 HB2 ALA 6 HB2 ALA 6 5.052 3.046 -12.510 34 HB3 ALA 6 HB3 ALA 6 6.408 2.836 -11.402 35 H ALA 7 H ALA 7 2.501 3.776 -9.435 36 HA ALA 7 HA ALA 7 3.037 1.830 -7.476 37 HB1 ALA 7 HB1 ALA 7 3.934 4.477 -6.814 38 HB2 ALA 7 HB2 ALA 7 2.655 3.969 -5.709 39 HB3 ALA 7 HB3 ALA 7 4.100 2.977 -5.901 40 H LEU 8 H LEU 8 1.276 1.798 -5.761 41 HA LEU 8 HA LEU 8 -1.228 2.832 -6.922 42 HB2 LEU 8 HB2 LEU 8 -2.246 0.843 -5.649 43 HB3 LEU 8 HB3 LEU 8 -1.403 0.541 -7.166 44 HG LEU 8 HG LEU 8 0.614 -0.089 -5.779 45 HD11 LEU 8 HD11 LEU 8 0.499 0.467 -3.621 46 HD12 LEU 8 HD12 LEU 8 -0.537 -0.949 -3.440 47 HD13 LEU 8 HD13 LEU 8 -1.255 0.647 -3.667 48 HD21 LEU 8 HD21 LEU 8 -0.316 -2.326 -5.207 49 HD22 LEU 8 HD22 LEU 8 -0.698 -1.789 -6.843 50 HD23 LEU 8 HD23 LEU 8 -1.924 -1.703 -5.578 51 H ARG 9 H ARG 9 -2.849 3.557 -5.506 52 HA ARG 9 HA ARG 9 -1.832 4.362 -2.871 53 HB2 ARG 9 HB2 ARG 9 -2.790 5.985 -4.733 54 HB3 ARG 9 HB3 ARG 9 -4.331 5.506 -4.034 55 HG2 ARG 9 HG2 ARG 9 -3.704 7.497 -2.949 56 HG3 ARG 9 HG3 ARG 9 -3.394 6.196 -1.797 57 HD2 ARG 9 HD2 ARG 9 -1.098 6.358 -2.033 58 HD3 ARG 9 HD3 ARG 9 -1.214 7.126 -3.616 59 HE ARG 9 HE ARG 9 -1.233 9.143 -2.561 60 HH11 ARG 9 HH11 ARG 9 -2.257 6.706 -0.296 61 HH12 ARG 9 HH12 ARG 9 -2.345 7.802 1.044 62 HH21 ARG 9 HH21 ARG 9 -1.345 10.595 -0.807 63 HH22 ARG 9 HH22 ARG 9 -1.826 10.014 0.751 64 H SER 10 H SER 10 -3.336 1.819 -3.920 65 HA SER 10 HA SER 10 -4.905 1.497 -1.505 66 HB2 SER 10 HB2 SER 10 -6.801 0.521 -3.062 67 HB3 SER 10 HB3 SER 10 -6.741 2.245 -2.696 68 HG SER 10 HG SER 10 -6.490 2.589 -4.742 69 H CYS 11 H CYS 11 -5.883 -0.802 -1.485 70 HA CYS 11 HA CYS 11 -3.831 -2.633 -2.532 71 HB2 CYS 11 HB2 CYS 11 -4.263 -2.377 0.003 72 HB3 CYS 11 HB3 CYS 11 -5.739 -3.287 -0.299 73 HA PRO 12 HA PRO 12 -7.447 -3.757 -5.080 74 HB2 PRO 12 HB2 PRO 12 -5.954 -4.729 -7.129 75 HB3 PRO 12 HB3 PRO 12 -6.314 -3.010 -6.933 76 HG2 PRO 12 HG2 PRO 12 -3.839 -4.522 -6.194 77 HG3 PRO 12 HG3 PRO 12 -3.990 -2.935 -6.970 78 HD2 PRO 12 HD2 PRO 12 -3.453 -3.220 -4.332 79 HD3 PRO 12 HD3 PRO 12 -4.390 -1.856 -4.974 80 H MET 13 H MET 13 -4.991 -5.480 -3.519 81 HA MET 13 HA MET 13 -5.586 -8.092 -4.527 82 HB2 MET 13 HB2 MET 13 -3.853 -6.937 -2.427 83 HB3 MET 13 HB3 MET 13 -4.389 -8.590 -2.152 84 HG2 MET 13 HG2 MET 13 -2.542 -9.085 -3.325 85 HG3 MET 13 HG3 MET 13 -3.600 -8.796 -4.703 86 HE1 MET 13 HE1 MET 13 -0.947 -7.699 -2.400 87 HE2 MET 13 HE2 MET 13 -0.044 -6.440 -3.242 88 HE3 MET 13 HE3 MET 13 -1.492 -6.023 -2.323 89 H CYS 14 H CYS 14 -6.602 -6.176 -1.749 90 HA CYS 14 HA CYS 14 -8.620 -8.241 -1.156 91 HB2 CYS 14 HB2 CYS 14 -8.491 -7.650 1.196 92 HB3 CYS 14 HB3 CYS 14 -6.890 -8.092 0.610 93 H GLN 15 H GLN 15 -8.259 -5.346 -2.517 94 HA GLN 15 HA GLN 15 -9.661 -3.627 -3.017 95 HB2 GLN 15 HB2 GLN 15 -11.281 -5.776 -2.884 96 HB3 GLN 15 HB3 GLN 15 -11.981 -4.802 -1.597 97 HG2 GLN 15 HG2 GLN 15 -12.950 -3.419 -3.037 98 HG3 GLN 15 HG3 GLN 15 -11.476 -3.250 -3.990 99 HE21 GLN 15 HE21 GLN 15 -12.638 -3.308 -5.917 100 HE22 GLN 15 HE22 GLN 15 -13.312 -4.774 -6.537 101 H LYS 16 H LYS 16 -8.104 -3.100 -0.931 102 HA LYS 16 HA LYS 16 -9.889 -1.806 1.026 103 HB2 LYS 16 HB2 LYS 16 -8.630 -3.456 2.193 104 HB3 LYS 16 HB3 LYS 16 -7.139 -2.991 1.384 105 HG2 LYS 16 HG2 LYS 16 -6.810 -1.175 2.728 106 HG3 LYS 16 HG3 LYS 16 -8.534 -0.956 3.040 107 HD2 LYS 16 HD2 LYS 16 -8.300 -3.250 4.275 108 HD3 LYS 16 HD3 LYS 16 -6.589 -2.822 4.332 109 HE2 LYS 16 HE2 LYS 16 -7.135 -0.731 5.452 110 HE3 LYS 16 HE3 LYS 16 -8.855 -1.109 5.350 111 HZ1 LYS 16 HZ1 LYS 16 -7.574 -3.272 6.561 112 HZ2 LYS 16 HZ2 LYS 16 -8.678 -2.194 7.254 113 HZ3 LYS 16 HZ3 LYS 16 -7.019 -1.870 7.330 114 H GLU 17 H GLU 17 -9.584 0.334 1.477 115 HA GLU 17 HA GLU 17 -7.805 1.776 -0.340 116 HB2 GLU 17 HB2 GLU 17 -10.322 2.400 1.083 117 HB3 GLU 17 HB3 GLU 17 -9.182 3.729 0.929 118 HG2 GLU 17 HG2 GLU 17 -9.357 2.445 -1.589 119 HG3 GLU 17 HG3 GLU 17 -10.996 2.710 -0.996 120 H PHE 18 H PHE 18 -6.076 2.920 0.312 121 HA PHE 18 HA PHE 18 -5.217 2.620 3.061 122 HB2 PHE 18 HB2 PHE 18 -3.872 3.804 0.628 123 HB3 PHE 18 HB3 PHE 18 -3.122 3.731 2.219 124 HD1 PHE 18 HD2 PHE 18 -3.825 1.102 3.191 125 HD2 PHE 18 HD1 PHE 18 -2.745 2.335 -0.738 126 HE1 PHE 18 HE2 PHE 18 -3.015 -1.170 2.704 127 HE2 PHE 18 HE1 PHE 18 -1.935 0.065 -1.231 128 HZ PHE 18 HZ PHE 18 -2.068 -1.690 0.491 129 H ALA 19 H ALA 19 -5.155 4.171 4.584 130 HA ALA 19 HA ALA 19 -6.714 6.494 4.323 131 HB1 ALA 19 HB1 ALA 19 -5.195 7.056 6.488 132 HB2 ALA 19 HB2 ALA 19 -6.608 6.000 6.516 133 HB3 ALA 19 HB3 ALA 19 -4.991 5.307 6.390 134 HA PRO 20 HA PRO 20 -4.042 9.564 2.684 135 HB2 PRO 20 HB2 PRO 20 -4.690 11.748 4.162 136 HB3 PRO 20 HB3 PRO 20 -5.765 11.062 2.938 137 HG2 PRO 20 HG2 PRO 20 -5.809 10.709 5.911 138 HG3 PRO 20 HG3 PRO 20 -7.161 10.981 4.796 139 HD2 PRO 20 HD2 PRO 20 -6.541 8.529 5.763 140 HD3 PRO 20 HD3 PRO 20 -7.236 8.771 4.148 141 H ARG 21 H ARG 21 -3.916 8.921 6.106 142 HA ARG 21 HA ARG 21 -1.548 10.485 6.579 143 HB2 ARG 21 HB2 ARG 21 -2.958 10.234 8.456 144 HB3 ARG 21 HB3 ARG 21 -3.105 8.498 8.216 145 HG2 ARG 21 HG2 ARG 21 -1.035 8.058 9.133 146 HG3 ARG 21 HG3 ARG 21 -0.438 9.690 8.824 147 HD2 ARG 21 HD2 ARG 21 -2.734 9.325 10.687 148 HD3 ARG 21 HD3 ARG 21 -1.111 8.921 11.249 149 HE ARG 21 HE ARG 21 -2.185 11.530 10.865 150 HH11 ARG 21 HH11 ARG 21 0.750 9.667 10.696 151 HH12 ARG 21 HH12 ARG 21 1.784 11.028 10.979 152 HH21 ARG 21 HH21 ARG 21 -0.835 13.330 11.240 153 HH22 ARG 21 HH22 ARG 21 0.882 13.111 11.288 154 H LEU 22 H LEU 22 -2.279 7.245 5.593 155 HA LEU 22 HA LEU 22 0.055 5.913 6.337 156 HB2 LEU 22 HB2 LEU 22 -1.879 5.559 4.078 157 HB3 LEU 22 HB3 LEU 22 -0.449 4.537 4.207 158 HG LEU 22 HG LEU 22 -2.652 4.759 6.259 159 HD11 LEU 22 HD11 LEU 22 -3.329 3.599 4.203 160 HD12 LEU 22 HD12 LEU 22 -3.236 2.505 5.583 161 HD13 LEU 22 HD13 LEU 22 -1.951 2.512 4.375 162 HD21 LEU 22 HD21 LEU 22 -1.281 3.784 7.702 163 HD22 LEU 22 HD22 LEU 22 0.032 3.923 6.532 164 HD23 LEU 22 HD23 LEU 22 -0.973 2.474 6.561 165 H THR 23 H THR 23 2.026 5.570 5.349 166 HA THR 23 HA THR 23 2.733 7.530 3.269 167 HB THR 23 HB THR 23 5.129 7.003 4.058 168 HG1 THR 23 HG1 THR 23 3.882 6.304 6.491 169 HG21 THR 23 HG21 THR 23 4.467 8.396 6.306 170 HG22 THR 23 HG22 THR 23 3.060 8.686 5.284 171 HG23 THR 23 HG23 THR 23 4.671 9.109 4.707 172 H GLN 24 H GLN 24 4.698 6.769 1.931 173 HA GLN 24 HA GLN 24 3.933 4.641 0.323 174 HB2 GLN 24 HB2 GLN 24 6.176 4.780 -0.666 175 HB3 GLN 24 HB3 GLN 24 5.473 6.375 -0.434 176 HG2 GLN 24 HG2 GLN 24 6.795 6.574 1.666 177 HG3 GLN 24 HG3 GLN 24 7.589 5.057 1.249 178 HE21 GLN 24 HE21 GLN 24 8.946 4.989 -0.575 179 HE22 GLN 24 HE22 GLN 24 9.642 6.427 -1.229 180 H LEU 25 H LEU 25 6.122 4.707 3.084 181 HA LEU 25 HA LEU 25 7.088 2.059 2.790 182 HB2 LEU 25 HB2 LEU 25 8.049 2.319 4.927 183 HB3 LEU 25 HB3 LEU 25 8.133 3.896 4.145 184 HG LEU 25 HG LEU 25 5.857 4.231 5.502 185 HD11 LEU 25 HD11 LEU 25 7.243 1.952 6.780 186 HD12 LEU 25 HD12 LEU 25 5.528 2.361 6.737 187 HD13 LEU 25 HD13 LEU 25 6.608 3.206 7.846 188 HD21 LEU 25 HD21 LEU 25 7.699 5.739 5.660 189 HD22 LEU 25 HD22 LEU 25 8.674 4.549 6.522 190 HD23 LEU 25 HD23 LEU 25 7.259 5.260 7.299 191 H ASP 26 H ASP 26 4.336 3.467 4.466 192 HA ASP 26 HA ASP 26 3.599 1.151 5.919 193 HB2 ASP 26 HB2 ASP 26 2.126 3.642 5.095 194 HB3 ASP 26 HB3 ASP 26 1.303 2.333 5.941 195 H VAL 27 H VAL 27 2.544 2.460 2.795 196 HA VAL 27 HA VAL 27 0.546 0.627 2.199 197 HB VAL 27 HB VAL 27 2.471 1.938 0.275 198 HG11 VAL 27 HG11 VAL 27 1.511 0.622 -1.250 199 HG12 VAL 27 HG12 VAL 27 0.273 0.079 -0.118 200 HG13 VAL 27 HG13 VAL 27 0.055 1.586 -1.008 201 HG21 VAL 27 HG21 VAL 27 1.444 3.727 1.289 202 HG22 VAL 27 HG22 VAL 27 0.314 3.398 -0.026 203 HG23 VAL 27 HG23 VAL 27 -0.043 2.832 1.606 204 H ASP 28 H ASP 28 4.019 0.447 1.454 205 HA ASP 28 HA ASP 28 3.965 -2.007 0.107 206 HB2 ASP 28 HB2 ASP 28 6.038 -0.344 1.419 207 HB3 ASP 28 HB3 ASP 28 6.438 -2.044 1.182 208 H SER 29 H SER 29 4.106 -1.234 3.525 209 HA SER 29 HA SER 29 4.865 -3.717 4.543 210 HB2 SER 29 HB2 SER 29 4.395 -1.382 5.706 211 HB3 SER 29 HB3 SER 29 2.815 -2.107 6.006 212 HG SER 29 HG SER 29 3.903 -3.852 7.017 213 H HIS 30 H HIS 30 1.583 -2.436 4.017 214 HA HIS 30 HA HIS 30 0.268 -4.841 4.745 215 HB2 HIS 30 HB2 HIS 30 -0.835 -2.630 4.780 216 HB3 HIS 30 HB3 HIS 30 -0.746 -2.569 3.022 217 HD1 HIS 30 HD1 HIS 30 -3.034 -3.359 5.611 218 HD2 HIS 30 HD2 HIS 30 -2.180 -4.999 1.891 219 HE1 HIS 30 HE1 HIS 30 -5.060 -4.713 4.992 220 H LEU 31 H LEU 31 1.395 -3.521 1.682 221 HA LEU 31 HA LEU 31 0.129 -5.306 -0.057 222 HB2 LEU 31 HB2 LEU 31 2.705 -3.775 -0.236 223 HB3 LEU 31 HB3 LEU 31 2.153 -4.818 -1.546 224 HG LEU 31 HG LEU 31 0.647 -2.434 -0.469 225 HD11 LEU 31 HD11 LEU 31 1.291 -1.304 -2.496 226 HD12 LEU 31 HD12 LEU 31 2.167 -2.728 -3.056 227 HD13 LEU 31 HD13 LEU 31 2.739 -1.841 -1.644 228 HD21 LEU 31 HD21 LEU 31 -0.710 -2.757 -2.526 229 HD22 LEU 31 HD22 LEU 31 -0.868 -4.068 -1.357 230 HD23 LEU 31 HD23 LEU 31 0.133 -4.284 -2.794 231 H ALA 32 H ALA 32 2.829 -5.731 2.062 232 HA ALA 32 HA ALA 32 3.795 -8.121 0.757 233 HB1 ALA 32 HB1 ALA 32 5.608 -7.920 2.065 234 HB2 ALA 32 HB2 ALA 32 4.977 -6.305 2.389 235 HB3 ALA 32 HB3 ALA 32 4.652 -7.622 3.517 236 H GLN 33 H GLN 33 2.101 -7.350 3.787 237 HA GLN 33 HA GLN 33 1.816 -10.046 4.614 238 HB2 GLN 33 HB2 GLN 33 0.203 -7.611 5.393 239 HB3 GLN 33 HB3 GLN 33 0.183 -9.156 6.232 240 HG2 GLN 33 HG2 GLN 33 2.631 -8.862 6.651 241 HG3 GLN 33 HG3 GLN 33 2.478 -7.230 6.000 242 HE21 GLN 33 HE21 GLN 33 2.361 -5.759 7.521 243 HE22 GLN 33 HE22 GLN 33 1.585 -5.930 9.055 244 H CYS 34 H CYS 34 -0.080 -7.926 2.473 245 HA CYS 34 HA CYS 34 -2.405 -9.531 2.579 246 HB2 CYS 34 HB2 CYS 34 -2.037 -7.035 1.777 247 HB3 CYS 34 HB3 CYS 34 -1.769 -7.788 0.217 248 H LEU 35 H LEU 35 0.412 -9.224 0.456 249 HA LEU 35 HA LEU 35 -0.331 -11.090 -1.505 250 HB2 LEU 35 HB2 LEU 35 2.258 -9.927 -0.585 251 HB3 LEU 35 HB3 LEU 35 2.274 -11.277 -1.718 252 HG LEU 35 HG LEU 35 0.897 -8.634 -2.199 253 HD11 LEU 35 HD11 LEU 35 3.132 -9.277 -3.918 254 HD12 LEU 35 HD12 LEU 35 3.620 -9.160 -2.227 255 HD13 LEU 35 HD13 LEU 35 2.797 -7.808 -3.002 256 HD21 LEU 35 HD21 LEU 35 1.188 -9.711 -4.618 257 HD22 LEU 35 HD22 LEU 35 -0.233 -10.003 -3.615 258 HD23 LEU 35 HD23 LEU 35 1.065 -11.197 -3.677 259 H ALA 36 H ALA 36 1.479 -11.463 1.514 260 HA ALA 36 HA ALA 36 2.067 -14.222 1.136 261 HB1 ALA 36 HB1 ALA 36 3.451 -13.717 2.795 262 HB2 ALA 36 HB2 ALA 36 2.597 -12.205 3.108 263 HB3 ALA 36 HB3 ALA 36 2.068 -13.696 3.889 264 H GLU 37 H GLU 37 -0.528 -12.461 2.757 265 HA GLU 37 HA GLU 37 -1.725 -14.692 4.008 266 HB2 GLU 37 HB2 GLU 37 -2.597 -11.919 3.332 267 HB3 GLU 37 HB3 GLU 37 -3.821 -13.090 3.800 268 HG2 GLU 37 HG2 GLU 37 -2.466 -13.528 5.867 269 HG3 GLU 37 HG3 GLU 37 -1.470 -12.145 5.414 270 H SER 38 H SER 38 -1.894 -13.407 0.780 271 HA SER 38 HA SER 38 -4.276 -14.736 -0.019 272 HB2 SER 38 HB2 SER 38 -2.049 -13.321 -1.415 273 HB3 SER 38 HB3 SER 38 -3.095 -14.372 -2.372 274 HG SER 38 HG SER 38 -4.840 -13.133 -1.815 275 H THR 39 H THR 39 -1.057 -15.776 0.476 276 HA THR 39 HA THR 39 0.039 -17.742 0.122 277 HB THR 39 HB THR 39 -2.611 -19.110 -0.221 278 HG1 THR 39 HG1 THR 39 -1.510 -18.226 2.257 279 HG21 THR 39 HG21 THR 39 -1.456 -20.964 0.252 280 HG22 THR 39 HG22 THR 39 -0.706 -20.216 1.663 281 HG23 THR 39 HG23 THR 39 0.006 -19.996 0.065 282 H GLU 40 H GLU 40 -0.114 -16.243 -2.151 283 HA GLU 40 HA GLU 40 -1.067 -17.889 -4.335 284 HB2 GLU 40 HB2 GLU 40 -1.361 -15.551 -4.644 285 HB3 GLU 40 HB3 GLU 40 0.308 -15.211 -4.208 286 HG2 GLU 40 HG2 GLU 40 -0.003 -14.967 -6.586 287 HG3 GLU 40 HG3 GLU 40 1.067 -16.326 -6.248 288 H ASP 41 H ASP 41 0.153 -19.718 -4.468 289 HA ASP 41 HA ASP 41 2.998 -19.329 -5.109 290 HB2 ASP 41 HB2 ASP 41 2.622 -20.299 -2.803 291 HB3 ASP 41 HB3 ASP 41 1.926 -21.711 -3.593 292 H VAL 42 H VAL 42 1.473 -19.292 -7.197 293 HA VAL 42 HA VAL 42 1.145 -22.023 -8.211 294 HB VAL 42 HB VAL 42 0.200 -19.402 -9.382 295 HG11 VAL 42 HG11 VAL 42 0.440 -20.783 -11.229 296 HG12 VAL 42 HG12 VAL 42 0.015 -22.237 -10.324 297 HG13 VAL 42 HG13 VAL 42 -1.234 -21.067 -10.753 298 HG21 VAL 42 HG21 VAL 42 -1.811 -21.346 -8.586 299 HG22 VAL 42 HG22 VAL 42 -0.828 -20.790 -7.230 300 HG23 VAL 42 HG23 VAL 42 -1.699 -19.624 -8.226 301 H THR 43 H THR 43 2.958 -22.796 -9.090 302 HA THR 43 HA THR 43 4.569 -21.010 -10.788 303 HB THR 43 HB THR 43 6.364 -22.795 -10.491 304 HG1 THR 43 HG1 THR 43 5.842 -24.481 -9.336 305 HG21 THR 43 HG21 THR 43 5.424 -21.276 -8.053 306 HG22 THR 43 HG22 THR 43 6.458 -20.647 -9.335 307 HG23 THR 43 HG23 THR 43 7.039 -21.940 -8.287 308 H TRP 44 H TRP 44 2.838 -24.036 -10.646 309 HA TRP 44 HA TRP 44 3.235 -24.334 -13.544 310 HB2 TRP 44 HB2 TRP 44 4.636 -25.990 -12.365 311 HB3 TRP 44 HB3 TRP 44 3.206 -26.598 -11.536 312 HD1 TRP 44 HD1 TRP 44 1.348 -27.860 -13.114 313 HE1 TRP 44 HE1 TRP 44 1.672 -29.222 -15.274 314 HE3 TRP 44 HE3 TRP 44 6.001 -26.200 -14.429 315 HZ2 TRP 44 HZ2 TRP 44 3.641 -29.550 -17.271 316 HZ3 TRP 44 HZ3 TRP 44 7.035 -27.088 -16.477 317 HH2 TRP 44 HH2 TRP 44 5.878 -28.729 -17.867 Start of MODEL 10 1 H1 SER 1 H SER 1 10.508 3.468 -21.844 2 HA SER 1 HA SER 1 8.262 5.225 -22.119 3 HB2 SER 1 HB2 SER 1 8.322 4.162 -24.370 4 HB3 SER 1 HB3 SER 1 8.153 2.585 -23.599 5 HG SER 1 HG SER 1 6.097 2.942 -23.372 6 H HIS 2 H HIS 2 6.756 4.833 -20.579 7 HA HIS 2 HA HIS 2 6.799 2.253 -19.189 8 HB2 HIS 2 HB2 HIS 2 6.815 3.335 -17.003 9 HB3 HIS 2 HB3 HIS 2 8.254 3.786 -17.914 10 HD1 HIS 2 HD1 HIS 2 5.799 5.241 -15.826 11 HD2 HIS 2 HD2 HIS 2 7.704 6.436 -19.320 12 HE1 HIS 2 HE1 HIS 2 5.524 7.740 -15.921 13 H MET 3 H MET 3 4.909 2.039 -17.676 14 HA MET 3 HA MET 3 2.571 3.459 -18.772 15 HB2 MET 3 HB2 MET 3 1.259 1.430 -18.350 16 HB3 MET 3 HB3 MET 3 2.588 1.115 -19.457 17 HG2 MET 3 HG2 MET 3 3.843 0.400 -17.283 18 HG3 MET 3 HG3 MET 3 2.211 0.221 -16.643 19 HE1 MET 3 HE1 MET 3 3.418 -3.276 -17.091 20 HE2 MET 3 HE2 MET 3 4.742 -2.515 -17.974 21 HE3 MET 3 HE3 MET 3 4.131 -1.778 -16.492 22 H GLY 4 H GLY 4 4.087 2.075 -15.911 23 HA2 GLY 4 HA2 GLY 4 3.680 3.763 -13.987 24 HA3 GLY 4 HA3 GLY 4 2.006 3.286 -14.224 25 H ALA 5 H ALA 5 1.451 2.072 -12.537 26 HA ALA 5 HA ALA 5 1.453 0.425 -10.965 27 HB1 ALA 5 HB1 ALA 5 1.321 -1.133 -12.709 28 HB2 ALA 5 HB2 ALA 5 3.000 -0.873 -13.185 29 HB3 ALA 5 HB3 ALA 5 2.630 -1.724 -11.685 30 H ALA 6 H ALA 6 3.386 2.485 -10.637 31 HA ALA 6 HA ALA 6 5.526 0.997 -9.259 32 HB1 ALA 6 HB1 ALA 6 7.091 2.675 -9.768 33 HB2 ALA 6 HB2 ALA 6 6.220 2.382 -11.274 34 HB3 ALA 6 HB3 ALA 6 5.838 3.799 -10.296 35 H ALA 7 H ALA 7 2.766 2.441 -8.631 36 HA ALA 7 HA ALA 7 3.341 2.974 -5.925 37 HB1 ALA 7 HB1 ALA 7 4.307 5.013 -7.245 38 HB2 ALA 7 HB2 ALA 7 2.620 5.521 -7.299 39 HB3 ALA 7 HB3 ALA 7 3.414 5.263 -5.746 40 H LEU 8 H LEU 8 1.530 2.118 -5.139 41 HA LEU 8 HA LEU 8 -1.036 2.888 -6.361 42 HB2 LEU 8 HB2 LEU 8 -1.891 0.810 -5.187 43 HB3 LEU 8 HB3 LEU 8 -0.828 0.568 -6.572 44 HG LEU 8 HG LEU 8 0.364 0.562 -3.840 45 HD11 LEU 8 HD11 LEU 8 -1.720 -1.241 -4.703 46 HD12 LEU 8 HD12 LEU 8 -0.925 -1.103 -3.135 47 HD13 LEU 8 HD13 LEU 8 -0.207 -2.097 -4.402 48 HD21 LEU 8 HD21 LEU 8 1.520 -1.431 -5.190 49 HD22 LEU 8 HD22 LEU 8 2.049 0.246 -5.324 50 HD23 LEU 8 HD23 LEU 8 0.989 -0.445 -6.552 51 H ARG 9 H ARG 9 -2.577 3.838 -5.144 52 HA ARG 9 HA ARG 9 -1.842 4.567 -2.411 53 HB2 ARG 9 HB2 ARG 9 -3.501 5.756 -4.537 54 HB3 ARG 9 HB3 ARG 9 -4.161 5.913 -2.914 55 HG2 ARG 9 HG2 ARG 9 -2.855 7.857 -3.434 56 HG3 ARG 9 HG3 ARG 9 -2.029 6.924 -2.185 57 HD2 ARG 9 HD2 ARG 9 -0.367 6.217 -3.630 58 HD3 ARG 9 HD3 ARG 9 -1.362 6.476 -5.062 59 HE ARG 9 HE ARG 9 -0.855 8.939 -3.779 60 HH11 ARG 9 HH11 ARG 9 0.717 6.493 -5.694 61 HH12 ARG 9 HH12 ARG 9 1.869 7.588 -6.384 62 HH21 ARG 9 HH21 ARG 9 0.655 10.391 -4.680 63 HH22 ARG 9 HH22 ARG 9 1.834 9.805 -5.805 64 H SER 10 H SER 10 -3.262 2.012 -3.651 65 HA SER 10 HA SER 10 -4.915 1.575 -1.310 66 HB2 SER 10 HB2 SER 10 -6.721 0.637 -3.028 67 HB3 SER 10 HB3 SER 10 -6.735 2.320 -2.501 68 HG SER 10 HG SER 10 -5.389 1.421 -4.828 69 H CYS 11 H CYS 11 -5.867 -0.730 -1.418 70 HA CYS 11 HA CYS 11 -3.763 -2.499 -2.462 71 HB2 CYS 11 HB2 CYS 11 -4.328 -2.347 0.066 72 HB3 CYS 11 HB3 CYS 11 -5.753 -3.291 -0.354 73 HA PRO 12 HA PRO 12 -7.244 -3.548 -5.213 74 HB2 PRO 12 HB2 PRO 12 -5.651 -4.462 -7.213 75 HB3 PRO 12 HB3 PRO 12 -6.017 -2.748 -6.983 76 HG2 PRO 12 HG2 PRO 12 -3.586 -4.291 -6.167 77 HG3 PRO 12 HG3 PRO 12 -3.694 -2.681 -6.901 78 HD2 PRO 12 HD2 PRO 12 -3.292 -3.049 -4.248 79 HD3 PRO 12 HD3 PRO 12 -4.192 -1.662 -4.894 80 H MET 13 H MET 13 -4.865 -5.328 -3.593 81 HA MET 13 HA MET 13 -5.441 -7.906 -4.707 82 HB2 MET 13 HB2 MET 13 -3.373 -6.956 -3.271 83 HB3 MET 13 HB3 MET 13 -4.298 -7.707 -1.978 84 HG2 MET 13 HG2 MET 13 -4.320 -9.809 -3.329 85 HG3 MET 13 HG3 MET 13 -3.206 -9.026 -4.447 86 HE1 MET 13 HE1 MET 13 -0.919 -7.778 -3.371 87 HE2 MET 13 HE2 MET 13 -1.786 -7.246 -1.931 88 HE3 MET 13 HE3 MET 13 -0.302 -8.187 -1.771 89 H CYS 14 H CYS 14 -6.490 -6.087 -1.869 90 HA CYS 14 HA CYS 14 -8.557 -8.139 -1.414 91 HB2 CYS 14 HB2 CYS 14 -8.469 -7.663 0.960 92 HB3 CYS 14 HB3 CYS 14 -6.856 -8.080 0.394 93 H GLN 15 H GLN 15 -8.222 -5.305 -2.773 94 HA GLN 15 HA GLN 15 -9.562 -3.518 -3.201 95 HB2 GLN 15 HB2 GLN 15 -11.510 -5.537 -2.150 96 HB3 GLN 15 HB3 GLN 15 -12.053 -3.904 -2.508 97 HG2 GLN 15 HG2 GLN 15 -11.477 -4.117 -4.796 98 HG3 GLN 15 HG3 GLN 15 -10.612 -5.625 -4.502 99 HE21 GLN 15 HE21 GLN 15 -12.627 -5.320 -6.418 100 HE22 GLN 15 HE22 GLN 15 -13.970 -6.308 -5.962 101 H LYS 16 H LYS 16 -8.029 -3.059 -1.084 102 HA LYS 16 HA LYS 16 -9.816 -1.877 0.940 103 HB2 LYS 16 HB2 LYS 16 -8.364 -3.519 1.940 104 HB3 LYS 16 HB3 LYS 16 -6.952 -2.809 1.169 105 HG2 LYS 16 HG2 LYS 16 -7.036 -0.899 2.556 106 HG3 LYS 16 HG3 LYS 16 -8.646 -1.314 3.149 107 HD2 LYS 16 HD2 LYS 16 -7.701 -3.330 4.213 108 HD3 LYS 16 HD3 LYS 16 -6.095 -2.841 3.671 109 HE2 LYS 16 HE2 LYS 16 -6.128 -2.029 5.828 110 HE3 LYS 16 HE3 LYS 16 -6.654 -0.619 4.909 111 HZ1 LYS 16 HZ1 LYS 16 -8.665 -2.485 5.967 112 HZ2 LYS 16 HZ2 LYS 16 -8.804 -0.831 5.638 113 HZ3 LYS 16 HZ3 LYS 16 -7.958 -1.352 7.007 114 H GLU 17 H GLU 17 -9.406 0.236 1.663 115 HA GLU 17 HA GLU 17 -7.822 1.846 -0.222 116 HB2 GLU 17 HB2 GLU 17 -10.250 2.504 1.438 117 HB3 GLU 17 HB3 GLU 17 -9.262 3.751 0.689 118 HG2 GLU 17 HG2 GLU 17 -9.693 2.735 -1.511 119 HG3 GLU 17 HG3 GLU 17 -10.743 1.551 -0.734 120 H PHE 18 H PHE 18 -6.074 2.876 0.487 121 HA PHE 18 HA PHE 18 -5.334 2.675 3.271 122 HB2 PHE 18 HB2 PHE 18 -3.900 3.896 0.904 123 HB3 PHE 18 HB3 PHE 18 -3.212 3.741 2.517 124 HD1 PHE 18 HD2 PHE 18 -4.083 1.057 3.296 125 HD2 PHE 18 HD1 PHE 18 -2.641 2.500 -0.440 126 HE1 PHE 18 HE2 PHE 18 -3.284 -1.201 2.735 127 HE2 PHE 18 HE1 PHE 18 -1.841 0.244 -1.007 128 HZ PHE 18 HZ PHE 18 -2.161 -1.611 0.583 129 H ALA 19 H ALA 19 -5.067 4.337 4.719 130 HA ALA 19 HA ALA 19 -6.735 6.620 4.373 131 HB1 ALA 19 HB1 ALA 19 -5.315 7.219 6.591 132 HB2 ALA 19 HB2 ALA 19 -6.725 6.160 6.576 133 HB3 ALA 19 HB3 ALA 19 -5.103 5.469 6.533 134 HA PRO 20 HA PRO 20 -3.987 9.658 2.804 135 HB2 PRO 20 HB2 PRO 20 -4.677 11.864 4.227 136 HB3 PRO 20 HB3 PRO 20 -5.709 11.169 2.973 137 HG2 PRO 20 HG2 PRO 20 -5.867 10.855 5.946 138 HG3 PRO 20 HG3 PRO 20 -7.174 11.120 4.778 139 HD2 PRO 20 HD2 PRO 20 -6.606 8.678 5.799 140 HD3 PRO 20 HD3 PRO 20 -7.237 8.901 4.155 141 H ARG 21 H ARG 21 -3.821 8.719 6.075 142 HA ARG 21 HA ARG 21 -1.554 10.408 6.725 143 HB2 ARG 21 HB2 ARG 21 -1.591 9.197 8.892 144 HB3 ARG 21 HB3 ARG 21 -3.130 9.952 8.496 145 HG2 ARG 21 HG2 ARG 21 -4.170 7.928 8.093 146 HG3 ARG 21 HG3 ARG 21 -2.646 7.086 7.809 147 HD2 ARG 21 HD2 ARG 21 -3.666 6.461 9.954 148 HD3 ARG 21 HD3 ARG 21 -2.094 7.231 10.163 149 HE ARG 21 HE ARG 21 -3.128 8.888 11.337 150 HH11 ARG 21 HH11 ARG 21 -5.507 7.256 9.390 151 HH12 ARG 21 HH12 ARG 21 -6.845 8.135 10.055 152 HH21 ARG 21 HH21 ARG 21 -4.879 10.051 12.221 153 HH22 ARG 21 HH22 ARG 21 -6.486 9.724 11.665 154 H LEU 22 H LEU 22 -2.188 7.188 5.598 155 HA LEU 22 HA LEU 22 0.285 6.006 6.294 156 HB2 LEU 22 HB2 LEU 22 -1.732 5.370 4.154 157 HB3 LEU 22 HB3 LEU 22 -0.295 4.392 4.440 158 HG LEU 22 HG LEU 22 -2.439 4.890 6.501 159 HD11 LEU 22 HD11 LEU 22 -2.021 2.424 4.824 160 HD12 LEU 22 HD12 LEU 22 -3.259 3.639 4.510 161 HD13 LEU 22 HD13 LEU 22 -3.294 2.713 6.010 162 HD21 LEU 22 HD21 LEU 22 -1.226 3.652 7.927 163 HD22 LEU 22 HD22 LEU 22 0.128 4.096 6.889 164 HD23 LEU 22 HD23 LEU 22 -0.683 2.545 6.666 165 H THR 23 H THR 23 2.088 5.525 4.959 166 HA THR 23 HA THR 23 2.455 7.413 2.724 167 HB THR 23 HB THR 23 4.957 7.180 3.332 168 HG1 THR 23 HG1 THR 23 5.068 6.887 5.744 169 HG21 THR 23 HG21 THR 23 4.429 8.819 5.404 170 HG22 THR 23 HG22 THR 23 2.852 8.811 4.613 171 HG23 THR 23 HG23 THR 23 4.285 9.311 3.716 172 H GLN 24 H GLN 24 4.492 6.654 1.388 173 HA GLN 24 HA GLN 24 3.792 4.399 -0.039 174 HB2 GLN 24 HB2 GLN 24 5.374 6.182 -0.788 175 HB3 GLN 24 HB3 GLN 24 6.599 5.476 0.260 176 HG2 GLN 24 HG2 GLN 24 7.083 4.635 -1.855 177 HG3 GLN 24 HG3 GLN 24 6.234 3.320 -1.043 178 HE21 GLN 24 HE21 GLN 24 5.356 2.303 -2.750 179 HE22 GLN 24 HE22 GLN 24 4.227 3.020 -3.843 180 H LEU 25 H LEU 25 5.936 4.681 2.739 181 HA LEU 25 HA LEU 25 6.956 2.042 2.642 182 HB2 LEU 25 HB2 LEU 25 7.888 2.466 4.747 183 HB3 LEU 25 HB3 LEU 25 7.888 4.021 3.917 184 HG LEU 25 HG LEU 25 5.583 4.261 5.244 185 HD11 LEU 25 HD11 LEU 25 6.701 3.255 7.598 186 HD12 LEU 25 HD12 LEU 25 6.847 1.958 6.412 187 HD13 LEU 25 HD13 LEU 25 5.269 2.667 6.753 188 HD21 LEU 25 HD21 LEU 25 8.389 4.813 6.163 189 HD22 LEU 25 HD22 LEU 25 6.979 5.353 7.075 190 HD23 LEU 25 HD23 LEU 25 7.233 5.922 5.425 191 H ASP 26 H ASP 26 4.098 3.476 4.079 192 HA ASP 26 HA ASP 26 3.381 1.215 5.660 193 HB2 ASP 26 HB2 ASP 26 1.825 3.611 4.684 194 HB3 ASP 26 HB3 ASP 26 1.107 2.357 5.690 195 H VAL 27 H VAL 27 2.424 2.377 2.453 196 HA VAL 27 HA VAL 27 0.424 0.538 1.883 197 HB VAL 27 HB VAL 27 2.430 1.731 -0.036 198 HG11 VAL 27 HG11 VAL 27 0.210 -0.117 -0.411 199 HG12 VAL 27 HG12 VAL 27 0.076 1.337 -1.403 200 HG13 VAL 27 HG13 VAL 27 1.515 0.323 -1.510 201 HG21 VAL 27 HG21 VAL 27 -0.216 2.852 -0.132 202 HG22 VAL 27 HG22 VAL 27 0.441 2.966 1.501 203 HG23 VAL 27 HG23 VAL 27 1.330 3.656 0.144 204 H ASP 28 H ASP 28 3.890 0.302 1.085 205 HA ASP 28 HA ASP 28 3.819 -2.248 -0.046 206 HB2 ASP 28 HB2 ASP 28 5.750 -0.399 0.262 207 HB3 ASP 28 HB3 ASP 28 6.229 -1.526 1.528 208 H SER 29 H SER 29 4.058 -1.230 3.308 209 HA SER 29 HA SER 29 4.824 -3.614 4.505 210 HB2 SER 29 HB2 SER 29 4.310 -1.209 5.492 211 HB3 SER 29 HB3 SER 29 2.743 -1.938 5.845 212 HG SER 29 HG SER 29 5.193 -3.150 6.578 213 H HIS 30 H HIS 30 1.516 -2.441 3.890 214 HA HIS 30 HA HIS 30 0.279 -4.849 4.771 215 HB2 HIS 30 HB2 HIS 30 -0.910 -2.707 4.799 216 HB3 HIS 30 HB3 HIS 30 -0.814 -2.618 3.043 217 HD1 HIS 30 HD1 HIS 30 -3.061 -3.564 5.640 218 HD2 HIS 30 HD2 HIS 30 -2.210 -5.009 1.839 219 HE1 HIS 30 HE1 HIS 30 -5.057 -4.948 4.984 220 H LEU 31 H LEU 31 1.380 -3.638 1.670 221 HA LEU 31 HA LEU 31 0.081 -5.480 0.001 222 HB2 LEU 31 HB2 LEU 31 2.626 -3.915 -0.267 223 HB3 LEU 31 HB3 LEU 31 2.083 -5.016 -1.532 224 HG LEU 31 HG LEU 31 0.551 -2.617 -0.529 225 HD11 LEU 31 HD11 LEU 31 1.203 -1.486 -2.484 226 HD12 LEU 31 HD12 LEU 31 1.883 -2.946 -3.201 227 HD13 LEU 31 HD13 LEU 31 2.685 -2.183 -1.828 228 HD21 LEU 31 HD21 LEU 31 -1.205 -3.386 -1.648 229 HD22 LEU 31 HD22 LEU 31 -0.341 -4.908 -1.871 230 HD23 LEU 31 HD23 LEU 31 -0.231 -3.642 -3.095 231 H ALA 32 H ALA 32 2.804 -5.813 2.099 232 HA ALA 32 HA ALA 32 3.812 -8.211 0.848 233 HB1 ALA 32 HB1 ALA 32 5.606 -7.374 1.888 234 HB2 ALA 32 HB2 ALA 32 4.630 -6.441 3.025 235 HB3 ALA 32 HB3 ALA 32 4.952 -8.148 3.331 236 H GLN 33 H GLN 33 1.963 -7.401 3.763 237 HA GLN 33 HA GLN 33 1.736 -10.119 4.625 238 HB2 GLN 33 HB2 GLN 33 0.177 -7.662 5.442 239 HB3 GLN 33 HB3 GLN 33 0.105 -9.219 6.255 240 HG2 GLN 33 HG2 GLN 33 2.718 -8.858 6.399 241 HG3 GLN 33 HG3 GLN 33 2.242 -7.166 6.266 242 HE21 GLN 33 HE21 GLN 33 0.918 -10.011 7.928 243 HE22 GLN 33 HE22 GLN 33 0.817 -9.267 9.484 244 H CYS 34 H CYS 34 -0.155 -7.967 2.514 245 HA CYS 34 HA CYS 34 -2.534 -9.434 2.640 246 HB2 CYS 34 HB2 CYS 34 -2.044 -7.054 1.675 247 HB3 CYS 34 HB3 CYS 34 -1.680 -7.906 0.188 248 H LEU 35 H LEU 35 0.228 -9.423 0.400 249 HA LEU 35 HA LEU 35 -0.699 -11.622 -1.166 250 HB2 LEU 35 HB2 LEU 35 1.193 -11.340 -2.438 251 HB3 LEU 35 HB3 LEU 35 0.970 -9.727 -1.765 252 HG LEU 35 HG LEU 35 2.642 -10.687 0.070 253 HD11 LEU 35 HD11 LEU 35 2.904 -12.484 -2.269 254 HD12 LEU 35 HD12 LEU 35 3.190 -12.797 -0.557 255 HD13 LEU 35 HD13 LEU 35 4.392 -11.923 -1.507 256 HD21 LEU 35 HD21 LEU 35 4.151 -9.254 -0.820 257 HD22 LEU 35 HD22 LEU 35 2.771 -8.797 -1.818 258 HD23 LEU 35 HD23 LEU 35 3.985 -9.912 -2.448 259 H ALA 36 H ALA 36 1.226 -11.288 1.708 260 HA ALA 36 HA ALA 36 2.501 -13.811 1.654 261 HB1 ALA 36 HB1 ALA 36 3.336 -12.075 3.088 262 HB2 ALA 36 HB2 ALA 36 1.808 -12.006 3.966 263 HB3 ALA 36 HB3 ALA 36 2.829 -13.438 4.087 264 H GLU 37 H GLU 37 -0.650 -12.738 2.756 265 HA GLU 37 HA GLU 37 -1.272 -15.207 4.094 266 HB2 GLU 37 HB2 GLU 37 -2.724 -12.672 3.495 267 HB3 GLU 37 HB3 GLU 37 -3.675 -14.102 3.870 268 HG2 GLU 37 HG2 GLU 37 -2.090 -14.284 5.925 269 HG3 GLU 37 HG3 GLU 37 -1.788 -12.577 5.601 270 H SER 38 H SER 38 -1.728 -13.848 0.914 271 HA SER 38 HA SER 38 -2.621 -14.669 -1.014 272 HB2 SER 38 HB2 SER 38 -1.363 -16.958 0.347 273 HB3 SER 38 HB3 SER 38 -2.557 -17.399 -0.874 274 HG SER 38 HG SER 38 -1.022 -17.018 -2.247 275 H THR 39 H THR 39 -4.383 -14.264 1.336 276 HA THR 39 HA THR 39 -6.328 -16.191 1.663 277 HB THR 39 HB THR 39 -7.234 -13.358 1.450 278 HG1 THR 39 HG1 THR 39 -5.796 -12.664 2.833 279 HG21 THR 39 HG21 THR 39 -7.766 -15.745 3.156 280 HG22 THR 39 HG22 THR 39 -8.900 -14.648 2.368 281 HG23 THR 39 HG23 THR 39 -8.054 -14.141 3.829 282 H GLU 40 H GLU 40 -5.799 -14.046 -1.034 283 HA GLU 40 HA GLU 40 -8.324 -14.246 -2.259 284 HB2 GLU 40 HB2 GLU 40 -5.580 -13.522 -3.170 285 HB3 GLU 40 HB3 GLU 40 -6.793 -13.864 -4.394 286 HG2 GLU 40 HG2 GLU 40 -8.242 -12.183 -3.039 287 HG3 GLU 40 HG3 GLU 40 -6.688 -11.651 -2.402 288 H ASP 41 H ASP 41 -9.100 -16.329 -2.284 289 HA ASP 41 HA ASP 41 -7.515 -18.420 -3.555 290 HB2 ASP 41 HB2 ASP 41 -9.456 -19.883 -2.904 291 HB3 ASP 41 HB3 ASP 41 -8.636 -19.106 -1.553 292 H VAL 42 H VAL 42 -7.616 -17.241 -5.636 293 HA VAL 42 HA VAL 42 -10.187 -17.601 -7.020 294 HB VAL 42 HB VAL 42 -7.821 -15.922 -7.863 295 HG11 VAL 42 HG11 VAL 42 -9.867 -14.960 -9.285 296 HG12 VAL 42 HG12 VAL 42 -8.831 -16.266 -9.865 297 HG13 VAL 42 HG13 VAL 42 -10.395 -16.636 -9.138 298 HG21 VAL 42 HG21 VAL 42 -8.742 -14.864 -5.970 299 HG22 VAL 42 HG22 VAL 42 -9.440 -14.028 -7.357 300 HG23 VAL 42 HG23 VAL 42 -10.394 -15.220 -6.474 301 H THR 43 H THR 43 -10.316 -19.430 -8.130 302 HA THR 43 HA THR 43 -7.916 -20.380 -9.556 303 HB THR 43 HB THR 43 -9.208 -22.668 -9.390 304 HG1 THR 43 HG1 THR 43 -10.963 -22.372 -8.219 305 HG21 THR 43 HG21 THR 43 -7.472 -21.328 -7.355 306 HG22 THR 43 HG22 THR 43 -7.088 -22.646 -8.462 307 HG23 THR 43 HG23 THR 43 -8.093 -22.949 -7.046 308 H TRP 44 H TRP 44 -8.797 -18.930 -11.264 309 HA TRP 44 HA TRP 44 -10.968 -20.242 -12.763 310 HB2 TRP 44 HB2 TRP 44 -11.388 -17.881 -11.988 311 HB3 TRP 44 HB3 TRP 44 -10.071 -17.370 -13.040 312 HD1 TRP 44 HD1 TRP 44 -12.458 -20.067 -14.275 313 HE1 TRP 44 HE1 TRP 44 -13.875 -19.109 -16.199 314 HE3 TRP 44 HE3 TRP 44 -11.067 -15.159 -13.940 315 HZ2 TRP 44 HZ2 TRP 44 -14.341 -16.605 -17.413 316 HZ3 TRP 44 HZ3 TRP 44 -12.045 -13.547 -15.521 317 HH2 TRP 44 HH2 TRP 44 -13.647 -14.256 -17.221
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