NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562376 | 2m7h | 19212 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 1HT GLY 1 -15.865 -7.796 7.479 2 HA2 GLY 1 1HA GLY 1 -13.796 -6.537 7.099 3 HA3 GLY 1 2HA GLY 1 -13.636 -8.270 6.806 4 H LYS 2 H LYS 2 -13.899 -8.975 4.498 5 HA LYS 2 HA LYS 2 -12.365 -7.224 2.748 6 HB2 LYS 2 2HB LYS 2 -13.785 -9.823 2.089 7 HB3 LYS 2 1HB LYS 2 -12.517 -9.050 1.136 8 HG2 LYS 2 2HG LYS 2 -11.784 -9.475 3.952 9 HG3 LYS 2 1HG LYS 2 -12.080 -10.969 3.060 10 HD2 LYS 2 2HD LYS 2 -10.511 -10.235 1.304 11 HD3 LYS 2 1HD LYS 2 -10.214 -8.740 2.192 12 HE2 LYS 2 2HE LYS 2 -9.570 -11.558 3.095 13 HE3 LYS 2 1HE LYS 2 -8.423 -10.270 2.727 14 HZ1 LYS 2 3HZ LYS 2 -8.536 -10.008 4.955 15 HZ2 LYS 2 1HZ LYS 2 -10.099 -10.654 5.080 16 HZ3 LYS 2 2HZ LYS 2 -9.883 -9.055 4.552 17 H GLU 3 H GLU 3 -13.950 -5.412 2.737 18 HA GLU 3 HA GLU 3 -15.785 -5.696 0.451 19 HB2 GLU 3 2HB GLU 3 -17.650 -4.599 1.829 20 HB3 GLU 3 1HB GLU 3 -17.338 -6.305 2.155 21 HG2 GLU 3 2HG GLU 3 -15.679 -5.378 3.964 22 HG3 GLU 3 1HG GLU 3 -16.640 -3.905 3.823 23 H CYS 4 H CYS 4 -13.328 -4.201 1.123 24 HA CYS 4 HA CYS 4 -14.045 -1.690 -0.021 25 HB2 CYS 4 2HB CYS 4 -14.993 -1.216 2.196 26 HB3 CYS 4 1HB CYS 4 -13.455 -1.627 2.953 27 H ASP 5 H ASP 5 -12.212 -0.970 -1.007 28 HA ASP 5 HA ASP 5 -9.612 -2.051 -0.013 29 HB2 ASP 5 2HB ASP 5 -10.319 -2.680 -2.340 30 HB3 ASP 5 1HB ASP 5 -10.273 -0.970 -2.770 31 H CYS 6 H CYS 6 -11.452 0.800 -0.342 32 HA CYS 6 HA CYS 6 -9.002 2.420 0.209 33 HB2 CYS 6 2HB CYS 6 -9.944 4.258 -1.094 34 HB3 CYS 6 1HB CYS 6 -9.847 2.818 -2.108 35 H SER 7 H SER 7 -9.183 3.704 2.005 36 HA SER 7 HA SER 7 -11.608 3.497 3.622 37 HB2 SER 7 2HB SER 7 -9.073 5.107 4.046 38 HB3 SER 7 1HB SER 7 -10.347 4.888 5.241 39 HG SER 7 HG SER 7 -8.297 3.309 4.745 40 H SER 8 H SER 8 -10.924 5.332 0.991 41 HA SER 8 HA SER 8 -12.321 7.741 2.058 42 HB2 SER 8 2HB SER 8 -10.236 7.304 0.032 43 HB3 SER 8 1HB SER 8 -11.527 8.377 -0.502 44 HG SER 8 HG SER 8 -9.551 8.792 1.315 45 HA PRO 9 HA PRO 9 -15.746 6.009 -0.273 46 HB2 PRO 9 2HB PRO 9 -17.613 7.744 0.761 47 HB3 PRO 9 1HB PRO 9 -17.058 6.286 1.602 48 HG2 PRO 9 2HG PRO 9 -16.385 9.139 2.148 49 HG3 PRO 9 1HG PRO 9 -16.393 7.756 3.255 50 HD2 PRO 9 2HD PRO 9 -14.099 8.917 2.072 51 HD3 PRO 9 1HD PRO 9 -14.165 7.349 2.907 52 H GLU 10 H GLU 10 -14.044 8.787 -0.705 53 HA GLU 10 HA GLU 10 -15.898 9.792 -2.828 54 HB2 GLU 10 2HB GLU 10 -14.133 11.183 -0.871 55 HB3 GLU 10 1HB GLU 10 -14.204 11.866 -2.495 56 HG2 GLU 10 2HG GLU 10 -16.781 11.635 -2.238 57 HG3 GLU 10 1HG GLU 10 -16.441 11.491 -0.515 58 H ASN 11 H ASN 11 -13.424 7.800 -2.541 59 HA ASN 11 HA ASN 11 -11.579 8.953 -4.509 60 HB2 ASN 11 2HB ASN 11 -11.328 7.071 -2.499 61 HB3 ASN 11 1HB ASN 11 -11.336 6.083 -3.956 62 HD21 ASN 11 1HD2 ASN 11 -8.949 5.788 -3.151 63 HD22 ASN 11 2HD2 ASN 11 -7.816 6.911 -3.730 64 HA PRO 12 HA PRO 12 -13.923 7.270 -7.886 65 HB2 PRO 12 2HB PRO 12 -12.154 8.013 -9.854 66 HB3 PRO 12 1HB PRO 12 -13.279 9.136 -9.071 67 HG2 PRO 12 2HG PRO 12 -10.334 8.872 -8.705 68 HG3 PRO 12 1HG PRO 12 -11.375 10.281 -8.448 69 HD2 PRO 12 2HD PRO 12 -10.345 8.570 -6.429 70 HD3 PRO 12 1HD PRO 12 -11.605 9.806 -6.221 71 H CYS 13 H CYS 13 -10.688 6.302 -7.036 72 HA CYS 13 HA CYS 13 -10.427 4.292 -9.123 73 HB2 CYS 13 2HB CYS 13 -8.646 5.513 -7.464 74 HB3 CYS 13 1HB CYS 13 -8.843 3.959 -6.649 75 H CYS 14 H CYS 14 -12.197 4.421 -6.210 76 HA CYS 14 HA CYS 14 -12.482 1.450 -6.324 77 HB2 CYS 14 2HB CYS 14 -12.727 1.479 -3.824 78 HB3 CYS 14 1HB CYS 14 -11.111 1.912 -4.383 79 H ASP 15 H ASP 15 -14.558 0.874 -6.634 80 HA ASP 15 HA ASP 15 -16.715 2.670 -6.867 81 HB2 ASP 15 2HB ASP 15 -16.643 0.243 -7.632 82 HB3 ASP 15 1HB ASP 15 -16.973 -0.209 -5.960 83 H ALA 16 H ALA 16 -17.727 3.853 -5.325 84 HA ALA 16 HA ALA 16 -17.150 3.539 -2.523 85 HB1 ALA 16 1HB ALA 16 -19.263 5.126 -4.005 86 HB2 ALA 16 2HB ALA 16 -17.751 5.726 -3.326 87 HB3 ALA 16 3HB ALA 16 -19.050 5.202 -2.256 88 H ALA 17 H ALA 17 -19.837 2.512 -4.591 89 HA ALA 17 HA ALA 17 -21.711 1.728 -2.664 90 HB1 ALA 17 1HB ALA 17 -22.739 0.627 -4.380 91 HB2 ALA 17 2HB ALA 17 -21.271 -0.241 -4.828 92 HB3 ALA 17 3HB ALA 17 -21.512 1.419 -5.369 93 H THR 18 H THR 18 -19.014 -0.240 -3.959 94 HA THR 18 HA THR 18 -19.403 -2.138 -1.706 95 HB THR 18 HB THR 18 -19.141 -3.059 -4.001 96 HG1 THR 18 1HG THR 18 -18.139 -3.942 -1.912 97 HG21 THR 18 3HG2 THR 18 -17.280 -1.054 -4.308 98 HG22 THR 18 1HG2 THR 18 -17.474 -2.427 -5.398 99 HG23 THR 18 2HG2 THR 18 -16.263 -2.482 -4.117 100 H CYS 19 H CYS 19 -17.438 0.508 -2.659 101 HA CYS 19 HA CYS 19 -15.727 1.581 -1.432 102 HB2 CYS 19 2HB CYS 19 -16.979 0.344 0.538 103 HB3 CYS 19 1HB CYS 19 -15.581 -0.728 0.483 104 H LYS 20 H LYS 20 -15.531 -0.941 -3.327 105 HA LYS 20 HA LYS 20 -12.660 -1.522 -2.708 106 HB2 LYS 20 2HB LYS 20 -14.550 -3.174 -4.405 107 HB3 LYS 20 1HB LYS 20 -12.915 -3.613 -3.905 108 HG2 LYS 20 2HG LYS 20 -14.147 -3.016 -1.497 109 HG3 LYS 20 1HG LYS 20 -15.433 -3.810 -2.409 110 HD2 LYS 20 2HD LYS 20 -12.698 -5.027 -2.454 111 HD3 LYS 20 1HD LYS 20 -13.687 -5.237 -1.008 112 HE2 LYS 20 2HE LYS 20 -14.592 -6.993 -2.125 113 HE3 LYS 20 1HE LYS 20 -15.498 -5.763 -3.006 114 HZ1 LYS 20 3HZ LYS 20 -13.156 -7.301 -3.838 115 HZ2 LYS 20 1HZ LYS 20 -13.292 -5.710 -4.408 116 HZ3 LYS 20 2HZ LYS 20 -14.522 -6.835 -4.734 117 H LEU 21 H LEU 21 -11.685 -2.395 -5.036 118 HA LEU 21 HA LEU 21 -11.352 0.005 -6.579 119 HB2 LEU 21 2HB LEU 21 -10.468 -2.844 -6.833 120 HB3 LEU 21 1HB LEU 21 -10.305 -1.780 -8.231 121 HG LEU 21 HG LEU 21 -9.413 -0.533 -5.732 122 HD11 LEU 21 1HD1 LEU 21 -8.809 -3.182 -5.799 123 HD12 LEU 21 2HD1 LEU 21 -7.755 -1.965 -5.079 124 HD13 LEU 21 3HD1 LEU 21 -7.457 -2.528 -6.724 125 HD21 LEU 21 3HD2 LEU 21 -8.663 0.641 -7.552 126 HD22 LEU 21 1HD2 LEU 21 -8.622 -0.787 -8.585 127 HD23 LEU 21 2HD2 LEU 21 -7.312 -0.488 -7.442 128 H ARG 22 H ARG 22 -12.688 0.790 -8.132 129 HA ARG 22 HA ARG 22 -14.896 -0.864 -9.110 130 HB2 ARG 22 2HB ARG 22 -15.683 1.281 -8.844 131 HB3 ARG 22 1HB ARG 22 -14.143 2.021 -9.250 132 HG2 ARG 22 2HG ARG 22 -15.695 2.513 -11.039 133 HG3 ARG 22 1HG ARG 22 -14.542 1.329 -11.652 134 HD2 ARG 22 2HD ARG 22 -16.321 0.060 -12.218 135 HD3 ARG 22 1HD ARG 22 -16.553 -0.220 -10.492 136 HE ARG 22 HE ARG 22 -18.160 1.661 -10.490 137 HH11 ARG 22 1HH1 ARG 22 -17.975 -0.371 -13.127 138 HH12 ARG 22 2HH1 ARG 22 -18.885 0.637 -14.203 139 HH21 ARG 22 1HH2 ARG 22 -18.936 3.350 -12.046 140 HH22 ARG 22 2HH2 ARG 22 -19.429 2.743 -13.591 141 HA PRO 23 HA PRO 23 -12.514 -0.359 -13.215 142 HB2 PRO 23 2HB PRO 23 -10.033 0.818 -13.126 143 HB3 PRO 23 1HB PRO 23 -11.537 1.725 -13.370 144 HG2 PRO 23 2HG PRO 23 -9.820 1.560 -10.940 145 HG3 PRO 23 1HG PRO 23 -10.929 2.846 -11.445 146 HD2 PRO 23 2HD PRO 23 -11.443 0.865 -9.478 147 HD3 PRO 23 1HD PRO 23 -12.628 1.978 -10.190 148 H GLY 24 H GLY 24 -9.829 -0.905 -13.869 149 HA2 GLY 24 2HA GLY 24 -9.453 -3.503 -12.488 150 HA3 GLY 24 1HA GLY 24 -8.702 -3.032 -14.014 151 H ALA 25 H ALA 25 -8.755 -0.870 -11.269 152 HA ALA 25 HA ALA 25 -5.851 -0.669 -11.298 153 HB1 ALA 25 1HB ALA 25 -6.642 0.647 -9.024 154 HB2 ALA 25 2HB ALA 25 -8.116 0.709 -9.991 155 HB3 ALA 25 3HB ALA 25 -6.614 1.375 -10.631 156 H GLN 26 H GLN 26 -4.402 -1.510 -9.771 157 HA GLN 26 HA GLN 26 -5.239 -3.868 -8.326 158 HB2 GLN 26 2HB GLN 26 -2.729 -2.421 -8.840 159 HB3 GLN 26 1HB GLN 26 -2.791 -3.192 -7.256 160 HG2 GLN 26 2HG GLN 26 -1.882 -4.761 -8.902 161 HG3 GLN 26 1HG GLN 26 -3.459 -5.322 -8.346 162 HE21 GLN 26 1HE2 GLN 26 -2.698 -2.754 -10.746 163 HE22 GLN 26 2HE2 GLN 26 -3.535 -3.491 -12.025 164 H CYS 27 H CYS 27 -4.593 -0.511 -7.418 165 HA CYS 27 HA CYS 27 -6.051 -0.956 -4.898 166 HB2 CYS 27 2HB CYS 27 -4.060 -1.365 -3.836 167 HB3 CYS 27 1HB CYS 27 -3.107 -0.557 -5.071 168 H GLY 28 H GLY 28 -6.697 1.079 -3.906 169 HA2 GLY 28 2HA GLY 28 -6.811 3.287 -5.890 170 HA3 GLY 28 1HA GLY 28 -7.901 3.093 -4.520 171 H GLU 29 H GLU 29 -5.798 2.514 -2.615 172 HA GLU 29 HA GLU 29 -4.098 4.926 -2.660 173 HB2 GLU 29 2HB GLU 29 -4.923 5.817 -0.624 174 HB3 GLU 29 1HB GLU 29 -6.352 5.471 -1.586 175 HG2 GLU 29 2HG GLU 29 -7.117 4.198 0.097 176 HG3 GLU 29 1HG GLU 29 -5.775 3.090 -0.188 177 H GLY 30 H GLY 30 -2.226 4.675 -1.389 178 HA2 GLY 30 2HA GLY 30 -1.641 3.018 0.712 179 HA3 GLY 30 1HA GLY 30 -1.594 1.907 -0.658 180 H LEU 31 H LEU 31 0.733 2.460 0.853 181 HA LEU 31 HA LEU 31 2.337 4.555 -0.292 182 HB2 LEU 31 2HB LEU 31 2.859 2.106 1.353 183 HB3 LEU 31 1HB LEU 31 4.225 2.883 0.555 184 HG LEU 31 HG LEU 31 3.726 3.704 2.912 185 HD11 LEU 31 1HD1 LEU 31 3.634 6.219 1.955 186 HD12 LEU 31 2HD1 LEU 31 4.002 5.365 0.455 187 HD13 LEU 31 3HD1 LEU 31 5.081 5.218 1.841 188 HD21 LEU 31 3HD2 LEU 31 1.157 3.697 2.227 189 HD22 LEU 31 1HD2 LEU 31 1.529 5.337 1.696 190 HD23 LEU 31 2HD2 LEU 31 1.778 4.878 3.380 191 H CYS 32 H CYS 32 1.773 1.178 -1.135 192 HA CYS 32 HA CYS 32 3.685 1.399 -3.398 193 HB2 CYS 32 2HB CYS 32 2.917 -0.707 -1.662 194 HB3 CYS 32 1HB CYS 32 2.325 -1.137 -3.268 195 H CYS 33 H CYS 33 1.087 2.830 -3.365 196 HA CYS 33 HA CYS 33 -0.278 1.397 -5.605 197 HB2 CYS 33 2HB CYS 33 -1.366 3.539 -3.756 198 HB3 CYS 33 1HB CYS 33 -2.271 2.730 -5.033 199 H GLU 34 H GLU 34 1.354 2.294 -7.087 200 HA GLU 34 HA GLU 34 1.322 5.227 -7.456 201 HB2 GLU 34 2HB GLU 34 3.007 2.962 -8.395 202 HB3 GLU 34 1HB GLU 34 2.822 4.311 -9.518 203 HG2 GLU 34 2HG GLU 34 3.695 5.873 -7.940 204 HG3 GLU 34 1HG GLU 34 3.572 4.712 -6.617 205 H GLN 35 H GLN 35 -0.284 6.063 -8.704 206 HA GLN 35 HA GLN 35 -1.903 6.219 -10.392 207 HB2 GLN 35 2HB GLN 35 -0.089 4.140 -11.656 208 HB3 GLN 35 1HB GLN 35 -1.448 4.898 -12.487 209 HG2 GLN 35 2HG GLN 35 0.366 6.242 -13.134 210 HG3 GLN 35 1HG GLN 35 -0.320 7.140 -11.779 211 HE21 GLN 35 1HE2 GLN 35 1.400 7.959 -10.573 212 HE22 GLN 35 2HE2 GLN 35 2.784 7.080 -10.136 213 H CYS 36 H CYS 36 -2.325 4.522 -8.145 214 HA CYS 36 HA CYS 36 -3.859 2.918 -7.410 215 HB2 CYS 36 2HB CYS 36 -4.785 3.423 -10.224 216 HB3 CYS 36 1HB CYS 36 -5.495 2.114 -9.285 217 H LYS 37 H LYS 37 -1.266 2.312 -9.111 218 HA LYS 37 HA LYS 37 -1.900 -0.567 -9.609 219 HB2 LYS 37 2HB LYS 37 0.070 1.353 -10.807 220 HB3 LYS 37 1HB LYS 37 0.461 -0.367 -10.783 221 HG2 LYS 37 2HG LYS 37 -1.524 -0.918 -12.024 222 HG3 LYS 37 1HG LYS 37 -2.152 0.721 -11.857 223 HD2 LYS 37 2HD LYS 37 -0.199 1.566 -13.159 224 HD3 LYS 37 1HD LYS 37 0.328 -0.100 -13.397 225 HE2 LYS 37 2HE LYS 37 -2.408 0.904 -14.221 226 HE3 LYS 37 1HE LYS 37 -1.021 0.870 -15.311 227 HZ1 LYS 37 3HZ LYS 37 -1.731 -1.192 -15.747 228 HZ2 LYS 37 1HZ LYS 37 -2.648 -1.304 -14.326 229 HZ3 LYS 37 2HZ LYS 37 -0.978 -1.605 -14.281 230 H PHE 38 H PHE 38 -0.212 -2.123 -8.919 231 HA PHE 38 HA PHE 38 0.784 -1.467 -6.252 232 HB2 PHE 38 2HB PHE 38 0.876 -3.908 -8.015 233 HB3 PHE 38 1HB PHE 38 1.871 -3.822 -6.566 234 HD1 PHE 38 2HD PHE 38 0.138 -2.314 -4.714 235 HD2 PHE 38 1HD PHE 38 -0.834 -5.440 -7.495 236 HE1 PHE 38 2HE PHE 38 -1.815 -2.948 -3.322 237 HE2 PHE 38 1HE PHE 38 -2.783 -6.075 -6.101 238 HZ PHE 38 HZ PHE 38 -3.274 -4.828 -4.014 239 H SER 39 H SER 39 2.675 -0.331 -6.008 240 HA SER 39 HA SER 39 4.541 0.105 -8.120 241 HB2 SER 39 2HB SER 39 5.559 0.118 -5.319 242 HB3 SER 39 1HB SER 39 5.757 1.321 -6.589 243 HG SER 39 HG SER 39 4.312 2.253 -5.291 244 H ARG 40 H ARG 40 7.052 -0.595 -7.399 245 HA ARG 40 HA ARG 40 6.926 -3.546 -7.608 246 HB2 ARG 40 2HB ARG 40 9.161 -1.542 -8.025 247 HB3 ARG 40 1HB ARG 40 9.407 -3.288 -8.098 248 HG2 ARG 40 2HG ARG 40 9.034 -2.473 -10.353 249 HG3 ARG 40 1HG ARG 40 7.623 -3.408 -9.856 250 HD2 ARG 40 2HD ARG 40 6.308 -1.482 -9.528 251 HD3 ARG 40 1HD ARG 40 7.717 -0.427 -9.431 252 HE ARG 40 HE ARG 40 8.010 -1.017 -11.937 253 HH11 ARG 40 1HH2 ARG 40 5.264 -2.565 -11.344 254 HH12 ARG 40 2HH2 ARG 40 4.201 -1.551 -12.262 255 HH21 ARG 40 1HH1 ARG 40 6.534 0.982 -12.664 256 HH22 ARG 40 2HH1 ARG 40 4.921 0.456 -13.010 257 H ALA 41 H ALA 41 8.330 -4.878 -6.251 258 HA ALA 41 HA ALA 41 8.281 -4.067 -3.473 259 HB1 ALA 41 1HB ALA 41 9.964 -6.369 -4.345 260 HB2 ALA 41 2HB ALA 41 8.231 -6.477 -4.654 261 HB3 ALA 41 3HB ALA 41 8.821 -6.260 -3.006 262 H GLY 42 H GLY 42 10.341 -4.248 -2.114 263 HA2 GLY 42 2HA GLY 42 12.546 -3.545 -1.673 264 HA3 GLY 42 1HA GLY 42 12.890 -3.766 -3.390 265 H LYS 43 H LYS 43 10.171 -1.814 -2.494 266 HA LYS 43 HA LYS 43 11.688 0.574 -3.477 267 HB2 LYS 43 2HB LYS 43 9.862 0.758 -4.800 268 HB3 LYS 43 1HB LYS 43 8.963 -0.418 -3.850 269 HG2 LYS 43 2HG LYS 43 7.768 1.679 -3.729 270 HG3 LYS 43 1HG LYS 43 8.523 1.417 -2.160 271 HD2 LYS 43 2HD LYS 43 9.942 3.182 -2.406 272 HD3 LYS 43 1HD LYS 43 10.202 2.858 -4.121 273 HE2 LYS 43 2HE LYS 43 7.797 3.700 -4.472 274 HE3 LYS 43 1HE LYS 43 7.903 4.331 -2.828 275 HZ1 LYS 43 3HZ LYS 43 9.960 4.929 -4.867 276 HZ2 LYS 43 1HZ LYS 43 9.655 5.740 -3.408 277 HZ3 LYS 43 2HZ LYS 43 8.561 5.880 -4.701 278 H ILE 44 H ILE 44 12.285 2.080 -2.006 279 HA ILE 44 HA ILE 44 11.810 1.889 0.764 280 HB ILE 44 HB ILE 44 13.594 3.282 -0.056 281 HG12 ILE 44 2HG1 ILE 44 13.031 5.487 1.047 282 HG13 ILE 44 1HG1 ILE 44 11.377 4.903 1.232 283 HG21 ILE 44 1HG2 ILE 44 11.698 4.013 -1.980 284 HG22 ILE 44 2HG2 ILE 44 13.346 4.625 -1.844 285 HG23 ILE 44 3HG2 ILE 44 12.017 5.495 -1.077 286 HD11 ILE 44 3HD1 ILE 44 13.810 3.443 2.288 287 HD12 ILE 44 1HD1 ILE 44 12.119 3.048 2.595 288 HD13 ILE 44 2HD1 ILE 44 12.813 4.528 3.259 289 H CYS 45 H CYS 45 9.521 1.461 0.976 290 HA CYS 45 HA CYS 45 7.499 3.325 0.094 291 HB2 CYS 45 2HB CYS 45 6.120 2.131 1.948 292 HB3 CYS 45 1HB CYS 45 6.649 1.178 0.565 293 H ARG 46 H ARG 46 9.480 3.060 2.973 294 HA ARG 46 HA ARG 46 8.732 5.789 3.742 295 HB2 ARG 46 2HB ARG 46 7.054 3.985 4.751 296 HB3 ARG 46 1HB ARG 46 8.361 3.761 5.913 297 HG2 ARG 46 2HG ARG 46 8.347 6.353 6.097 298 HG3 ARG 46 1HG ARG 46 6.753 6.245 5.350 299 HD2 ARG 46 2HD ARG 46 6.763 4.274 7.355 300 HD3 ARG 46 1HD ARG 46 7.521 5.687 8.088 301 HE ARG 46 HE ARG 46 5.442 6.956 7.265 302 HH11 ARG 46 1HH1 ARG 46 5.402 4.405 9.318 303 HH12 ARG 46 2HH1 ARG 46 3.760 3.929 9.040 304 HH21 ARG 46 1HH2 ARG 46 3.349 5.988 6.280 305 HH22 ARG 46 2HH2 ARG 46 2.599 4.823 7.321 306 H ILE 47 H ILE 47 10.123 6.560 5.544 307 HA ILE 47 HA ILE 47 12.726 5.127 5.502 308 HB ILE 47 HB ILE 47 12.480 7.624 4.923 309 HG12 ILE 47 2HG1 ILE 47 14.397 7.520 7.160 310 HG13 ILE 47 1HG1 ILE 47 14.532 6.169 6.033 311 HG21 ILE 47 1HG2 ILE 47 10.950 8.129 6.834 312 HG22 ILE 47 2HG2 ILE 47 12.378 9.164 6.812 313 HG23 ILE 47 3HG2 ILE 47 12.284 7.816 7.945 314 HD11 ILE 47 3HD1 ILE 47 14.158 8.671 4.610 315 HD12 ILE 47 1HD1 ILE 47 15.452 7.484 4.453 316 HD13 ILE 47 2HD1 ILE 47 15.563 8.753 5.673 317 H ALA 48 H ALA 48 13.965 5.466 7.727 318 HA ALA 48 HA ALA 48 12.045 4.851 9.937 319 HB1 ALA 48 1HB ALA 48 13.885 3.085 8.794 320 HB2 ALA 48 2HB ALA 48 13.074 2.886 10.348 321 HB3 ALA 48 3HB ALA 48 14.670 3.633 10.275 322 H ARG 49 H ARG 49 12.244 6.277 11.581 323 HA ARG 49 HA ARG 49 14.498 8.142 11.655 324 HB2 ARG 49 2HB ARG 49 13.306 9.147 13.555 325 HB3 ARG 49 1HB ARG 49 12.189 8.864 12.219 326 HG2 ARG 49 2HG ARG 49 11.876 6.521 13.447 327 HG3 ARG 49 1HG ARG 49 12.389 7.459 14.850 328 HD2 ARG 49 2HD ARG 49 10.400 8.834 13.178 329 HD3 ARG 49 1HD ARG 49 9.806 7.338 13.898 330 HE ARG 49 HE ARG 49 10.142 9.753 15.322 331 HH11 ARG 49 1HH1 ARG 49 8.770 7.415 16.513 332 HH12 ARG 49 2HH1 ARG 49 9.843 6.951 17.791 333 HH21 ARG 49 1HH2 ARG 49 12.535 8.745 16.540 334 HH22 ARG 49 2HH2 ARG 49 11.976 7.706 17.807 335 H GLY 50 H GLY 50 16.402 7.432 12.497 336 HA2 GLY 50 2HA GLY 50 17.159 6.937 14.994 337 HA3 GLY 50 1HA GLY 50 16.354 5.402 14.662 338 H ASP 51 H ASP 51 17.542 3.836 13.635 339 HA ASP 51 HA ASP 51 19.583 4.362 11.695 340 HB2 ASP 51 2HB ASP 51 20.381 4.494 14.501 341 HB3 ASP 51 1HB ASP 51 21.280 3.262 13.614 342 H TRP 52 H TRP 52 17.588 2.600 11.488 343 HA TRP 52 HA TRP 52 18.911 -0.037 11.958 344 HB2 TRP 52 2HB TRP 52 16.240 -0.674 11.750 345 HB3 TRP 52 1HB TRP 52 17.124 -0.519 13.262 346 HD1 TRP 52 HD TRP 52 15.238 1.854 10.832 347 HE1 TRP 52 1HE TRP 52 13.980 3.599 12.251 348 HE3 TRP 52 3HE TRP 52 16.723 0.433 15.509 349 HZ2 TRP 52 2HZ TRP 52 13.645 4.300 15.003 350 HZ3 TRP 52 3HZ TRP 52 15.919 1.658 17.508 351 HH2 TRP 52 HH TRP 52 14.385 3.588 17.261 352 H ASN 53 H ASN 53 15.899 0.250 10.232 353 HA ASN 53 HA ASN 53 17.280 0.275 7.618 354 HB2 ASN 53 2HB ASN 53 16.845 -2.153 8.704 355 HB3 ASN 53 1HB ASN 53 15.267 -1.892 7.960 356 HD21 ASN 53 1HD2 ASN 53 18.472 -2.904 7.317 357 HD22 ASN 53 2HD2 ASN 53 18.394 -2.856 5.622 358 H ASP 54 H ASP 54 16.042 1.335 6.114 359 HA ASP 54 HA ASP 54 13.662 2.701 6.877 360 HB2 ASP 54 2HB ASP 54 14.408 2.007 4.029 361 HB3 ASP 54 1HB ASP 54 13.528 3.423 4.605 362 H ASP 55 H ASP 55 12.159 1.999 4.339 363 HA ASP 55 HA ASP 55 11.141 -0.690 5.136 364 HB2 ASP 55 2HB ASP 55 9.448 1.756 4.534 365 HB3 ASP 55 1HB ASP 55 8.826 0.132 4.819 366 H ARG 56 H ARG 56 11.179 -1.997 3.395 367 HA ARG 56 HA ARG 56 11.328 -0.796 0.683 368 HB2 ARG 56 2HB ARG 56 11.752 -3.625 1.692 369 HB3 ARG 56 1HB ARG 56 11.896 -3.142 0.004 370 HG2 ARG 56 2HG ARG 56 13.427 -1.565 2.023 371 HG3 ARG 56 1HG ARG 56 14.018 -3.179 1.631 372 HD2 ARG 56 2HD ARG 56 13.910 -2.546 -0.804 373 HD3 ARG 56 1HD ARG 56 13.529 -0.899 -0.304 374 HE ARG 56 HE ARG 56 16.148 -1.948 -0.413 375 HH11 ARG 56 1HH1 ARG 56 15.429 -2.067 2.592 376 HH12 ARG 56 2HH1 ARG 56 16.084 -0.557 3.129 377 HH21 ARG 56 1HH2 ARG 56 16.395 0.749 -0.069 378 HH22 ARG 56 2HH2 ARG 56 16.631 1.039 1.621 379 H CYS 57 H CYS 57 9.691 -0.969 -0.767 380 HA CYS 57 HA CYS 57 7.061 -1.723 0.081 381 HB2 CYS 57 2HB CYS 57 8.220 -0.426 -2.144 382 HB3 CYS 57 1HB CYS 57 7.357 -1.815 -2.792 383 H THR 58 H THR 58 5.874 -3.593 -0.421 384 HA THR 58 HA THR 58 7.435 -6.029 -0.766 385 HB THR 58 HB THR 58 4.701 -6.639 -1.033 386 HG1 THR 58 1HG THR 58 4.237 -5.389 1.094 387 HG21 THR 58 3HG2 THR 58 5.059 -7.212 1.482 388 HG22 THR 58 1HG2 THR 58 6.718 -6.688 1.196 389 HG23 THR 58 2HG2 THR 58 6.050 -8.038 0.279 390 H GLY 59 H GLY 59 5.458 -3.974 -2.802 391 HA2 GLY 59 2HA GLY 59 5.535 -3.958 -5.191 392 HA3 GLY 59 1HA GLY 59 6.340 -5.525 -5.151 393 H GLN 60 H GLN 60 4.241 -6.557 -3.235 394 HA GLN 60 HA GLN 60 2.100 -6.966 -5.285 395 HB2 GLN 60 2HB GLN 60 3.105 -8.774 -3.070 396 HB3 GLN 60 1HB GLN 60 1.660 -9.111 -4.024 397 HG2 GLN 60 2HG GLN 60 3.096 -8.932 -6.096 398 HG3 GLN 60 1HG GLN 60 4.504 -8.857 -5.036 399 HE21 GLN 60 1HE2 GLN 60 5.214 -10.819 -4.036 400 HE22 GLN 60 2HE2 GLN 60 4.484 -12.323 -4.332 401 H SER 61 H SER 61 2.721 -5.353 -2.451 402 HA SER 61 HA SER 61 -0.139 -5.574 -1.592 403 HB2 SER 61 2HB SER 61 2.367 -5.033 0.012 404 HB3 SER 61 1HB SER 61 0.753 -4.717 0.642 405 HG SER 61 HG SER 61 0.371 -6.814 0.740 406 H ALA 62 H ALA 62 -1.263 -3.625 -1.228 407 HA ALA 62 HA ALA 62 -0.323 -1.326 -2.715 408 HB1 ALA 62 1HB ALA 62 -2.753 -2.084 -1.219 409 HB2 ALA 62 2HB ALA 62 -2.591 -1.197 -2.733 410 HB3 ALA 62 3HB ALA 62 -2.386 -0.359 -1.197 411 H ASP 63 H ASP 63 -0.818 -1.944 0.773 412 HA ASP 63 HA ASP 63 0.430 0.607 1.472 413 HB2 ASP 63 2HB ASP 63 -0.111 -1.726 3.324 414 HB3 ASP 63 1HB ASP 63 0.030 -0.019 3.746 415 H CYS 64 H CYS 64 2.147 0.001 3.528 416 HA CYS 64 HA CYS 64 4.225 -1.699 2.211 417 HB2 CYS 64 2HB CYS 64 5.103 0.441 1.899 418 HB3 CYS 64 1HB CYS 64 4.410 1.061 3.391 419 HA PRO 65 HA PRO 65 4.334 -3.828 6.003 420 HB2 PRO 65 2HB PRO 65 6.673 -5.158 5.507 421 HB3 PRO 65 1HB PRO 65 5.135 -5.616 4.780 422 HG2 PRO 65 2HG PRO 65 7.485 -4.266 3.556 423 HG3 PRO 65 1HG PRO 65 6.220 -5.238 2.784 424 HD2 PRO 65 2HD PRO 65 6.389 -2.414 2.775 425 HD3 PRO 65 1HD PRO 65 4.985 -3.386 2.285 426 H ARG 66 H ARG 66 6.020 -4.183 7.849 427 HA ARG 66 HA ARG 66 7.882 -1.845 7.964 428 HB2 ARG 66 2HB ARG 66 6.896 -2.679 10.583 429 HB3 ARG 66 1HB ARG 66 6.952 -1.068 9.870 430 HG2 ARG 66 2HG ARG 66 4.925 -1.817 8.460 431 HG3 ARG 66 1HG ARG 66 4.785 -3.154 9.602 432 HD2 ARG 66 2HD ARG 66 5.159 -0.791 11.135 433 HD3 ARG 66 1HD ARG 66 3.924 -0.433 9.927 434 HE ARG 66 HE ARG 66 2.480 -1.830 11.141 435 HH11 ARG 66 1HH1 ARG 66 5.000 -1.701 13.135 436 HH12 ARG 66 2HH1 ARG 66 4.982 -3.351 13.660 437 HH21 ARG 66 1HH2 ARG 66 2.785 -4.392 11.189 438 HH22 ARG 66 2HH2 ARG 66 3.729 -4.874 12.559 439 H ASN 67 H ASN 67 9.528 -2.144 9.753 440 HA ASN 67 HA ASN 67 10.668 -4.861 9.533 441 HB2 ASN 67 2HB ASN 67 12.695 -3.817 10.438 442 HB3 ASN 67 1HB ASN 67 12.066 -2.823 9.129 443 HD21 ASN 67 1HD2 ASN 67 13.109 -2.707 12.357 444 HD22 ASN 67 2HD2 ASN 67 12.431 -1.214 12.784 445 HA PRO 68 HA PRO 68 9.642 -5.960 13.675 446 HB2 PRO 68 2HB PRO 68 11.868 -7.426 14.380 447 HB3 PRO 68 1HB PRO 68 10.610 -8.013 13.278 448 HG2 PRO 68 2HG PRO 68 13.369 -7.097 12.670 449 HG3 PRO 68 1HG PRO 68 12.314 -8.169 11.738 450 HD2 PRO 68 2HD PRO 68 12.834 -5.428 11.208 451 HD3 PRO 68 1HD PRO 68 11.607 -6.440 10.425 452 H TRP 69 H TRP 69 11.334 -3.388 13.291 453 HA TRP 69 HA TRP 69 12.226 -3.223 16.126 454 HB2 TRP 69 2HB TRP 69 13.791 -1.887 13.925 455 HB3 TRP 69 1HB TRP 69 14.304 -2.275 15.569 456 HD1 TRP 69 HD TRP 69 13.754 -5.167 15.957 457 HE1 TRP 69 1HE TRP 69 14.806 -7.029 14.530 458 HE3 TRP 69 3HE TRP 69 14.997 -2.488 11.791 459 HZ2 TRP 69 2HZ TRP 69 16.006 -7.350 11.971 460 HZ3 TRP 69 3HZ TRP 69 16.090 -3.610 9.869 461 HH2 TRP 69 HH TRP 69 16.588 -6.037 9.961 462 H ASN 70 H ASN 70 10.375 -1.901 13.632 463 HA ASN 70 HA ASN 70 10.562 0.874 14.620 464 HB2 ASN 70 2HB ASN 70 9.507 -0.471 12.237 465 HB3 ASN 70 1HB ASN 70 8.427 0.777 12.861 466 HD21 ASN 70 1HD2 ASN 70 9.922 1.036 10.371 467 HD22 ASN 70 2HD2 ASN 70 11.012 2.322 10.568 468 H GLY 71 H GLY 71 9.437 1.353 16.445 469 HA2 GLY 71 2HA GLY 71 6.661 0.298 16.677 470 HA3 GLY 71 1HA GLY 71 7.759 0.139 18.049 Start of MODEL 2 1 H GLY 1 1HT GLY 1 -15.706 -8.421 8.662 2 HA2 GLY 1 1HA GLY 1 -16.034 -8.300 6.462 3 HA3 GLY 1 2HA GLY 1 -16.173 -6.573 6.790 4 H LYS 2 H LYS 2 -13.958 -9.110 5.717 5 HA LYS 2 HA LYS 2 -11.795 -7.242 5.128 6 HB2 LYS 2 2HB LYS 2 -12.193 -10.070 4.105 7 HB3 LYS 2 1HB LYS 2 -10.683 -9.160 4.127 8 HG2 LYS 2 2HG LYS 2 -11.016 -8.985 6.670 9 HG3 LYS 2 1HG LYS 2 -12.240 -10.242 6.479 10 HD2 LYS 2 2HD LYS 2 -9.671 -10.783 5.116 11 HD3 LYS 2 1HD LYS 2 -9.591 -10.757 6.878 12 HE2 LYS 2 2HE LYS 2 -11.642 -12.291 6.845 13 HE3 LYS 2 1HE LYS 2 -11.325 -12.502 5.123 14 HZ1 LYS 2 3HZ LYS 2 -9.495 -13.145 7.368 15 HZ2 LYS 2 1HZ LYS 2 -9.040 -13.185 5.735 16 HZ3 LYS 2 2HZ LYS 2 -10.240 -14.242 6.306 17 H GLU 3 H GLU 3 -13.036 -5.702 3.798 18 HA GLU 3 HA GLU 3 -12.897 -6.407 0.960 19 HB2 GLU 3 2HB GLU 3 -15.357 -5.597 0.673 20 HB3 GLU 3 1HB GLU 3 -15.077 -7.257 1.195 21 HG2 GLU 3 2HG GLU 3 -15.228 -6.357 3.597 22 HG3 GLU 3 1HG GLU 3 -15.889 -4.887 2.882 23 H CYS 4 H CYS 4 -11.658 -4.434 2.717 24 HA CYS 4 HA CYS 4 -12.620 -1.968 1.325 25 HB2 CYS 4 2HB CYS 4 -11.823 -2.295 4.228 26 HB3 CYS 4 1HB CYS 4 -11.900 -0.724 3.439 27 H ASP 5 H ASP 5 -10.945 -2.156 -0.214 28 HA ASP 5 HA ASP 5 -8.161 -2.455 0.644 29 HB2 ASP 5 2HB ASP 5 -9.288 -3.174 -1.621 30 HB3 ASP 5 1HB ASP 5 -8.972 -1.505 -2.091 31 H CYS 6 H CYS 6 -10.378 0.135 0.307 32 HA CYS 6 HA CYS 6 -8.147 2.061 0.715 33 HB2 CYS 6 2HB CYS 6 -10.463 2.542 -1.179 34 HB3 CYS 6 1HB CYS 6 -9.124 3.642 -0.856 35 H SER 7 H SER 7 -8.733 3.839 2.049 36 HA SER 7 HA SER 7 -11.377 3.514 3.402 37 HB2 SER 7 2HB SER 7 -8.904 4.921 4.445 38 HB3 SER 7 1HB SER 7 -10.371 4.556 5.349 39 HG SER 7 HG SER 7 -8.794 2.571 4.084 40 H SER 8 H SER 8 -10.192 5.277 0.983 41 HA SER 8 HA SER 8 -11.266 7.876 1.965 42 HB2 SER 8 2HB SER 8 -9.573 7.154 -0.437 43 HB3 SER 8 1HB SER 8 -10.257 8.757 -0.190 44 HG SER 8 HG SER 8 -8.037 7.764 0.822 45 HA PRO 9 HA PRO 9 -14.883 6.855 -0.442 46 HB2 PRO 9 2HB PRO 9 -16.279 9.129 0.216 47 HB3 PRO 9 1HB PRO 9 -16.140 7.723 1.286 48 HG2 PRO 9 2HG PRO 9 -14.780 10.371 1.479 49 HG3 PRO 9 1HG PRO 9 -15.177 9.216 2.763 50 HD2 PRO 9 2HD PRO 9 -12.625 9.581 1.591 51 HD3 PRO 9 1HD PRO 9 -13.113 8.225 2.630 52 H GLU 10 H GLU 10 -13.425 10.117 -0.508 53 HA GLU 10 HA GLU 10 -14.578 10.905 -3.015 54 HB2 GLU 10 2HB GLU 10 -12.955 12.697 -3.004 55 HB3 GLU 10 1HB GLU 10 -13.491 12.452 -1.341 56 HG2 GLU 10 2HG GLU 10 -11.490 10.966 -0.989 57 HG3 GLU 10 1HG GLU 10 -10.926 11.435 -2.593 58 H ASN 11 H ASN 11 -12.085 8.682 -2.231 59 HA ASN 11 HA ASN 11 -10.595 8.910 -4.712 60 HB2 ASN 11 2HB ASN 11 -9.551 7.937 -2.721 61 HB3 ASN 11 1HB ASN 11 -10.757 6.650 -2.696 62 HD21 ASN 11 1HD2 ASN 11 -9.256 4.913 -3.115 63 HD22 ASN 11 2HD2 ASN 11 -8.441 4.757 -4.596 64 HA PRO 12 HA PRO 12 -13.832 6.722 -6.928 65 HB2 PRO 12 2HB PRO 12 -12.791 7.251 -9.416 66 HB3 PRO 12 1HB PRO 12 -13.773 8.408 -8.500 67 HG2 PRO 12 2HG PRO 12 -10.828 8.407 -8.975 68 HG3 PRO 12 1HG PRO 12 -11.912 9.770 -8.650 69 HD2 PRO 12 2HD PRO 12 -10.182 8.545 -6.774 70 HD3 PRO 12 1HD PRO 12 -11.500 9.675 -6.397 71 H CYS 13 H CYS 13 -10.388 6.207 -6.986 72 HA CYS 13 HA CYS 13 -10.324 3.948 -8.753 73 HB2 CYS 13 2HB CYS 13 -8.388 5.410 -7.627 74 HB3 CYS 13 1HB CYS 13 -8.426 4.098 -6.454 75 H CYS 14 H CYS 14 -11.452 4.348 -5.521 76 HA CYS 14 HA CYS 14 -11.701 1.374 -5.303 77 HB2 CYS 14 2HB CYS 14 -10.622 3.354 -3.398 78 HB3 CYS 14 1HB CYS 14 -11.770 2.212 -2.703 79 H ASP 15 H ASP 15 -13.792 0.773 -5.291 80 HA ASP 15 HA ASP 15 -16.006 2.527 -5.285 81 HB2 ASP 15 2HB ASP 15 -15.778 -0.070 -5.810 82 HB3 ASP 15 1HB ASP 15 -16.299 -0.222 -4.130 83 H ALA 16 H ALA 16 -17.020 3.606 -3.644 84 HA ALA 16 HA ALA 16 -15.955 3.582 -0.977 85 HB1 ALA 16 1HB ALA 16 -18.235 4.811 -0.526 86 HB2 ALA 16 2HB ALA 16 -18.376 4.787 -2.284 87 HB3 ALA 16 3HB ALA 16 -17.007 5.595 -1.520 88 H ALA 17 H ALA 17 -18.969 2.238 -2.354 89 HA ALA 17 HA ALA 17 -20.015 1.142 0.037 90 HB1 ALA 17 1HB ALA 17 -21.591 0.829 -1.574 91 HB2 ALA 17 2HB ALA 17 -20.760 -0.699 -1.860 92 HB3 ALA 17 3HB ALA 17 -20.387 0.706 -2.857 93 H THR 18 H THR 18 -18.043 -0.535 -2.447 94 HA THR 18 HA THR 18 -17.512 -2.707 -0.518 95 HB THR 18 HB THR 18 -16.543 -3.889 -2.370 96 HG1 THR 18 1HG THR 18 -15.357 -2.633 -3.570 97 HG21 THR 18 3HG2 THR 18 -18.462 -4.173 -3.584 98 HG22 THR 18 1HG2 THR 18 -18.646 -2.446 -3.888 99 HG23 THR 18 2HG2 THR 18 -19.133 -3.124 -2.335 100 H CYS 19 H CYS 19 -16.318 0.249 -0.723 101 HA CYS 19 HA CYS 19 -14.165 1.244 -0.541 102 HB2 CYS 19 2HB CYS 19 -12.960 -0.035 1.469 103 HB3 CYS 19 1HB CYS 19 -14.357 0.994 1.735 104 H LYS 20 H LYS 20 -14.166 -0.857 -2.593 105 HA LYS 20 HA LYS 20 -11.288 -1.626 -2.329 106 HB2 LYS 20 2HB LYS 20 -13.525 -3.371 -3.404 107 HB3 LYS 20 1HB LYS 20 -11.807 -3.771 -3.471 108 HG2 LYS 20 2HG LYS 20 -12.538 -3.001 -0.782 109 HG3 LYS 20 1HG LYS 20 -13.591 -4.299 -1.349 110 HD2 LYS 20 2HD LYS 20 -10.619 -4.465 -1.784 111 HD3 LYS 20 1HD LYS 20 -11.316 -4.928 -0.231 112 HE2 LYS 20 2HE LYS 20 -12.639 -6.643 -1.222 113 HE3 LYS 20 1HE LYS 20 -12.357 -6.023 -2.848 114 HZ1 LYS 20 3HZ LYS 20 -10.060 -6.632 -2.690 115 HZ2 LYS 20 1HZ LYS 20 -11.002 -7.990 -2.309 116 HZ3 LYS 20 2HZ LYS 20 -10.242 -7.109 -1.070 117 H LEU 21 H LEU 21 -10.407 -2.271 -4.592 118 HA LEU 21 HA LEU 21 -10.717 -0.050 -6.344 119 HB2 LEU 21 2HB LEU 21 -9.561 -2.812 -6.779 120 HB3 LEU 21 1HB LEU 21 -9.505 -1.548 -8.008 121 HG LEU 21 HG LEU 21 -8.649 -0.584 -5.387 122 HD11 LEU 21 1HD1 LEU 21 -7.904 -3.006 -5.311 123 HD12 LEU 21 2HD1 LEU 21 -6.599 -1.825 -5.208 124 HD13 LEU 21 3HD1 LEU 21 -6.907 -2.667 -6.727 125 HD21 LEU 21 3HD2 LEU 21 -8.133 -0.199 -8.188 126 HD22 LEU 21 1HD2 LEU 21 -6.602 -0.490 -7.362 127 HD23 LEU 21 2HD2 LEU 21 -7.651 0.825 -6.834 128 H ARG 22 H ARG 22 -12.396 0.416 -7.640 129 HA ARG 22 HA ARG 22 -14.426 -1.597 -8.248 130 HB2 ARG 22 2HB ARG 22 -14.553 1.088 -7.893 131 HB3 ARG 22 1HB ARG 22 -14.492 1.013 -9.654 132 HG2 ARG 22 2HG ARG 22 -16.304 -0.959 -8.419 133 HG3 ARG 22 1HG ARG 22 -16.784 0.722 -8.181 134 HD2 ARG 22 2HD ARG 22 -16.032 0.700 -10.833 135 HD3 ARG 22 1HD ARG 22 -16.776 -0.888 -10.639 136 HE ARG 22 HE ARG 22 -18.717 0.523 -9.561 137 HH11 ARG 22 1HH2 ARG 22 -17.947 0.305 -12.688 138 HH12 ARG 22 2HH2 ARG 22 -18.509 1.867 -13.183 139 HH21 ARG 22 1HH1 ARG 22 -18.879 3.053 -9.946 140 HH22 ARG 22 2HH1 ARG 22 -19.038 3.421 -11.631 141 HA PRO 23 HA PRO 23 -12.760 -0.898 -12.671 142 HB2 PRO 23 2HB PRO 23 -10.420 0.519 -12.941 143 HB3 PRO 23 1HB PRO 23 -12.028 1.264 -12.977 144 HG2 PRO 23 2HG PRO 23 -9.983 1.324 -10.812 145 HG3 PRO 23 1HG PRO 23 -11.280 2.478 -11.162 146 HD2 PRO 23 2HD PRO 23 -11.299 0.495 -9.134 147 HD3 PRO 23 1HD PRO 23 -12.690 1.462 -9.669 148 H GLY 24 H GLY 24 -10.162 -1.205 -13.720 149 HA2 GLY 24 2HA GLY 24 -9.411 -3.787 -12.501 150 HA3 GLY 24 1HA GLY 24 -8.828 -3.164 -14.045 151 H ALA 25 H ALA 25 -8.719 -0.869 -11.514 152 HA ALA 25 HA ALA 25 -5.845 -0.698 -11.634 153 HB1 ALA 25 1HB ALA 25 -8.009 0.612 -10.038 154 HB2 ALA 25 2HB ALA 25 -6.759 1.341 -11.045 155 HB3 ALA 25 3HB ALA 25 -6.354 0.728 -9.442 156 H GLN 26 H GLN 26 -4.295 -1.498 -10.193 157 HA GLN 26 HA GLN 26 -5.100 -3.792 -8.582 158 HB2 GLN 26 2HB GLN 26 -2.674 -2.774 -9.730 159 HB3 GLN 26 1HB GLN 26 -2.413 -3.049 -8.009 160 HG2 GLN 26 2HG GLN 26 -2.151 -5.232 -8.510 161 HG3 GLN 26 1HG GLN 26 -3.883 -5.273 -8.841 162 HE21 GLN 26 1HE2 GLN 26 -4.441 -4.435 -11.189 163 HE22 GLN 26 2HE2 GLN 26 -3.402 -4.957 -12.427 164 H CYS 27 H CYS 27 -4.293 -0.431 -7.979 165 HA CYS 27 HA CYS 27 -4.974 -0.865 -5.110 166 HB2 CYS 27 2HB CYS 27 -3.134 0.809 -4.567 167 HB3 CYS 27 1HB CYS 27 -2.590 -0.793 -5.060 168 H GLY 28 H GLY 28 -6.406 0.651 -4.401 169 HA2 GLY 28 2HA GLY 28 -7.234 2.753 -6.246 170 HA3 GLY 28 1HA GLY 28 -7.984 2.389 -4.698 171 H GLU 29 H GLU 29 -5.766 2.578 -3.010 172 HA GLU 29 HA GLU 29 -4.564 5.235 -3.509 173 HB2 GLU 29 2HB GLU 29 -6.848 5.455 -2.326 174 HB3 GLU 29 1HB GLU 29 -6.042 4.746 -0.928 175 HG2 GLU 29 2HG GLU 29 -5.992 7.232 -0.880 176 HG3 GLU 29 1HG GLU 29 -4.373 6.535 -0.946 177 H GLY 30 H GLY 30 -2.891 5.737 -1.809 178 HA2 GLY 30 2HA GLY 30 -1.897 4.363 0.264 179 HA3 GLY 30 1HA GLY 30 -1.515 3.233 -1.035 180 H LEU 31 H LEU 31 0.724 3.902 -0.025 181 HA LEU 31 HA LEU 31 1.715 6.435 -1.228 182 HB2 LEU 31 2HB LEU 31 3.815 5.047 0.121 183 HB3 LEU 31 1HB LEU 31 3.029 6.546 0.600 184 HG LEU 31 HG LEU 31 2.015 3.767 1.270 185 HD11 LEU 31 1HD1 LEU 31 2.632 4.684 3.639 186 HD12 LEU 31 2HD1 LEU 31 3.690 5.780 2.749 187 HD13 LEU 31 3HD1 LEU 31 3.914 4.036 2.616 188 HD21 LEU 31 3HD2 LEU 31 0.849 6.434 1.372 189 HD22 LEU 31 1HD2 LEU 31 0.920 5.705 2.976 190 HD23 LEU 31 2HD2 LEU 31 0.081 4.873 1.667 191 H CYS 32 H CYS 32 2.080 2.941 -1.403 192 HA CYS 32 HA CYS 32 4.231 3.177 -3.418 193 HB2 CYS 32 2HB CYS 32 4.059 1.363 -1.575 194 HB3 CYS 32 1HB CYS 32 2.834 0.632 -2.609 195 H CYS 33 H CYS 33 0.962 3.530 -3.497 196 HA CYS 33 HA CYS 33 0.468 1.927 -5.910 197 HB2 CYS 33 2HB CYS 33 -1.326 2.201 -4.247 198 HB3 CYS 33 1HB CYS 33 -1.295 3.946 -4.490 199 H GLU 34 H GLU 34 1.271 2.685 -7.800 200 HA GLU 34 HA GLU 34 1.305 5.641 -8.242 201 HB2 GLU 34 2HB GLU 34 3.479 4.320 -8.397 202 HB3 GLU 34 1HB GLU 34 2.801 3.538 -9.824 203 HG2 GLU 34 2HG GLU 34 4.065 5.368 -10.667 204 HG3 GLU 34 1HG GLU 34 2.386 5.903 -10.727 205 H GLN 35 H GLN 35 -0.354 6.341 -9.507 206 HA GLN 35 HA GLN 35 -1.975 6.374 -11.207 207 HB2 GLN 35 2HB GLN 35 0.329 5.293 -12.348 208 HB3 GLN 35 1HB GLN 35 -0.935 4.133 -12.764 209 HG2 GLN 35 2HG GLN 35 -1.693 5.534 -14.349 210 HG3 GLN 35 1HG GLN 35 -2.018 6.748 -13.112 211 HE21 GLN 35 1HE2 GLN 35 -0.186 8.254 -12.567 212 HE22 GLN 35 2HE2 GLN 35 1.002 8.570 -13.739 213 H CYS 36 H CYS 36 -2.454 4.786 -8.897 214 HA CYS 36 HA CYS 36 -3.949 3.149 -8.140 215 HB2 CYS 36 2HB CYS 36 -4.850 3.579 -10.975 216 HB3 CYS 36 1HB CYS 36 -5.543 2.288 -10.012 217 H LYS 37 H LYS 37 -1.282 2.405 -9.243 218 HA LYS 37 HA LYS 37 -1.918 -0.461 -9.787 219 HB2 LYS 37 2HB LYS 37 -0.879 1.273 -11.690 220 HB3 LYS 37 1HB LYS 37 0.553 0.461 -11.057 221 HG2 LYS 37 2HG LYS 37 0.008 -1.468 -12.089 222 HG3 LYS 37 1HG LYS 37 -1.633 -1.415 -11.443 223 HD2 LYS 37 2HD LYS 37 -1.441 0.626 -13.415 224 HD3 LYS 37 1HD LYS 37 -0.755 -0.841 -14.113 225 HE2 LYS 37 2HE LYS 37 -2.763 -2.098 -13.577 226 HE3 LYS 37 1HE LYS 37 -3.440 -0.720 -12.710 227 HZ1 LYS 37 3HZ LYS 37 -4.365 -0.849 -14.916 228 HZ2 LYS 37 1HZ LYS 37 -2.818 -0.841 -15.612 229 HZ3 LYS 37 2HZ LYS 37 -3.388 0.536 -14.796 230 H PHE 38 H PHE 38 -0.200 -1.934 -9.101 231 HA PHE 38 HA PHE 38 1.100 -1.016 -6.650 232 HB2 PHE 38 2HB PHE 38 0.955 -3.648 -8.115 233 HB3 PHE 38 1HB PHE 38 2.050 -3.430 -6.751 234 HD1 PHE 38 1HD PHE 38 0.466 -1.628 -5.004 235 HD2 PHE 38 2HD PHE 38 -0.740 -5.053 -7.299 236 HE1 PHE 38 1HE PHE 38 -1.422 -2.012 -3.443 237 HE2 PHE 38 2HE PHE 38 -2.628 -5.434 -5.738 238 HZ PHE 38 HZ PHE 38 -2.968 -3.916 -3.808 239 H SER 39 H SER 39 3.078 -0.060 -6.638 240 HA SER 39 HA SER 39 4.720 0.157 -8.976 241 HB2 SER 39 2HB SER 39 5.532 0.528 -6.075 242 HB3 SER 39 1HB SER 39 6.373 1.169 -7.482 243 HG SER 39 HG SER 39 5.078 2.796 -6.802 244 H ARG 40 H ARG 40 6.911 -0.721 -6.589 245 HA ARG 40 HA ARG 40 6.919 -3.587 -7.373 246 HB2 ARG 40 2HB ARG 40 9.279 -1.695 -7.633 247 HB3 ARG 40 1HB ARG 40 9.377 -3.448 -7.800 248 HG2 ARG 40 2HG ARG 40 7.607 -3.254 -9.618 249 HG3 ARG 40 1HG ARG 40 7.859 -1.510 -9.557 250 HD2 ARG 40 2HD ARG 40 9.260 -2.445 -11.316 251 HD3 ARG 40 1HD ARG 40 10.290 -1.889 -9.997 252 HE ARG 40 HE ARG 40 9.715 -4.615 -9.509 253 HH11 ARG 40 1HH2 ARG 40 12.211 -2.726 -10.456 254 HH12 ARG 40 2HH2 ARG 40 12.959 -3.869 -11.522 255 HH21 ARG 40 1HH1 ARG 40 10.276 -6.066 -11.479 256 HH22 ARG 40 2HH1 ARG 40 11.864 -5.761 -12.100 257 H ALA 41 H ALA 41 8.019 -4.921 -5.815 258 HA ALA 41 HA ALA 41 7.904 -3.925 -3.107 259 HB1 ALA 41 1HB ALA 41 8.119 -6.118 -2.516 260 HB2 ALA 41 2HB ALA 41 9.500 -6.367 -3.585 261 HB3 ALA 41 3HB ALA 41 7.861 -6.425 -4.233 262 H GLY 42 H GLY 42 9.836 -4.056 -1.609 263 HA2 GLY 42 2HA GLY 42 12.048 -3.436 -1.077 264 HA3 GLY 42 1HA GLY 42 12.497 -3.860 -2.733 265 H LYS 43 H LYS 43 9.852 -1.680 -2.128 266 HA LYS 43 HA LYS 43 11.534 0.533 -3.269 267 HB2 LYS 43 2HB LYS 43 9.848 0.416 -4.809 268 HB3 LYS 43 1HB LYS 43 8.740 -0.366 -3.688 269 HG2 LYS 43 2HG LYS 43 8.312 1.799 -2.587 270 HG3 LYS 43 1HG LYS 43 9.436 2.587 -3.692 271 HD2 LYS 43 2HD LYS 43 7.240 0.961 -4.896 272 HD3 LYS 43 1HD LYS 43 6.807 2.516 -4.184 273 HE2 LYS 43 2HE LYS 43 9.214 2.813 -5.740 274 HE3 LYS 43 1HE LYS 43 7.965 2.054 -6.727 275 HZ1 LYS 43 3HZ LYS 43 6.895 3.970 -6.865 276 HZ2 LYS 43 1HZ LYS 43 8.178 4.728 -6.054 277 HZ3 LYS 43 2HZ LYS 43 6.850 4.136 -5.174 278 H ILE 44 H ILE 44 12.134 2.032 -1.764 279 HA ILE 44 HA ILE 44 11.081 2.172 0.870 280 HB ILE 44 HB ILE 44 12.848 3.873 -0.816 281 HG12 ILE 44 2HG1 ILE 44 13.611 2.058 0.737 282 HG13 ILE 44 1HG1 ILE 44 14.303 3.637 1.119 283 HG21 ILE 44 1HG2 ILE 44 11.604 5.716 -0.044 284 HG22 ILE 44 2HG2 ILE 44 12.854 5.550 1.188 285 HG23 ILE 44 3HG2 ILE 44 11.229 4.938 1.493 286 HD11 ILE 44 3HD1 ILE 44 11.712 2.980 2.423 287 HD12 ILE 44 1HD1 ILE 44 13.107 3.844 3.066 288 HD13 ILE 44 2HD1 ILE 44 13.122 2.082 2.985 289 H CYS 45 H CYS 45 8.870 2.341 0.996 290 HA CYS 45 HA CYS 45 7.711 4.859 -0.104 291 HB2 CYS 45 2HB CYS 45 5.498 3.344 0.180 292 HB3 CYS 45 1HB CYS 45 6.420 3.409 -1.317 293 H ARG 46 H ARG 46 8.887 3.779 2.603 294 HA ARG 46 HA ARG 46 7.061 5.352 4.228 295 HB2 ARG 46 2HB ARG 46 6.849 2.443 4.185 296 HB3 ARG 46 1HB ARG 46 7.192 3.059 5.800 297 HG2 ARG 46 2HG ARG 46 5.048 4.311 4.087 298 HG3 ARG 46 1HG ARG 46 4.706 2.901 5.091 299 HD2 ARG 46 2HD ARG 46 6.184 4.809 6.646 300 HD3 ARG 46 1HD ARG 46 4.809 5.623 5.901 301 HE ARG 46 HE ARG 46 4.152 3.060 7.169 302 HH11 ARG 46 1HH1 ARG 46 3.194 6.204 6.786 303 HH12 ARG 46 2HH1 ARG 46 2.680 6.458 8.420 304 HH21 ARG 46 1HH2 ARG 46 4.041 3.492 9.590 305 HH22 ARG 46 2HH2 ARG 46 3.160 4.923 10.006 306 H ILE 47 H ILE 47 8.590 6.586 5.217 307 HA ILE 47 HA ILE 47 11.200 5.455 5.923 308 HB ILE 47 HB ILE 47 10.677 7.888 5.149 309 HG12 ILE 47 2HG1 ILE 47 12.341 8.288 7.477 310 HG13 ILE 47 1HG1 ILE 47 12.702 6.727 6.736 311 HG21 ILE 47 1HG2 ILE 47 8.894 8.245 6.870 312 HG22 ILE 47 2HG2 ILE 47 10.172 9.459 6.940 313 HG23 ILE 47 3HG2 ILE 47 10.134 8.149 8.121 314 HD11 ILE 47 3HD1 ILE 47 12.917 9.480 5.551 315 HD12 ILE 47 1HD1 ILE 47 12.647 8.094 4.494 316 HD13 ILE 47 2HD1 ILE 47 14.084 8.158 5.513 317 H ALA 48 H ALA 48 11.996 5.534 8.196 318 HA ALA 48 HA ALA 48 9.748 5.035 10.106 319 HB1 ALA 48 1HB ALA 48 12.543 4.010 10.519 320 HB2 ALA 48 2HB ALA 48 11.442 3.155 9.437 321 HB3 ALA 48 3HB ALA 48 11.023 3.365 11.138 322 H ARG 49 H ARG 49 9.942 5.918 12.217 323 HA ARG 49 HA ARG 49 11.909 8.157 12.397 324 HB2 ARG 49 2HB ARG 49 9.440 7.798 14.104 325 HB3 ARG 49 1HB ARG 49 10.366 9.273 13.825 326 HG2 ARG 49 2HG ARG 49 9.629 8.430 11.265 327 HG3 ARG 49 1HG ARG 49 8.195 8.137 12.251 328 HD2 ARG 49 2HD ARG 49 7.780 10.347 12.473 329 HD3 ARG 49 1HD ARG 49 9.461 10.694 12.877 330 HE ARG 49 HE ARG 49 9.159 10.136 10.054 331 HH11 ARG 49 1HH2 ARG 49 10.973 12.238 11.076 332 HH12 ARG 49 2HH2 ARG 49 10.143 13.700 10.655 333 HH21 ARG 49 1HH1 ARG 49 7.096 12.131 10.126 334 HH22 ARG 49 2HH1 ARG 49 7.949 13.639 10.117 335 H GLY 50 H GLY 50 13.516 7.972 13.887 336 HA2 GLY 50 2HA GLY 50 13.791 7.403 16.410 337 HA3 GLY 50 1HA GLY 50 13.273 5.794 15.912 338 H ASP 51 H ASP 51 14.832 4.401 15.177 339 HA ASP 51 HA ASP 51 17.306 5.398 13.966 340 HB2 ASP 51 2HB ASP 51 17.161 4.786 16.806 341 HB3 ASP 51 1HB ASP 51 18.321 3.744 15.982 342 H TRP 52 H TRP 52 15.318 3.713 12.932 343 HA TRP 52 HA TRP 52 16.819 1.133 12.798 344 HB2 TRP 52 2HB TRP 52 14.273 0.341 12.218 345 HB3 TRP 52 1HB TRP 52 14.996 0.223 13.820 346 HD1 TRP 52 HD TRP 52 12.836 2.620 11.732 347 HE1 TRP 52 1HE TRP 52 11.349 3.988 13.334 348 HE3 TRP 52 3HE TRP 52 14.626 0.960 16.205 349 HZ2 TRP 52 2HZ TRP 52 10.972 4.328 16.152 350 HZ3 TRP 52 3HZ TRP 52 13.690 1.816 18.334 351 HH2 TRP 52 HH TRP 52 11.867 3.498 18.314 352 H ASN 53 H ASN 53 15.474 -0.090 10.753 353 HA ASN 53 HA ASN 53 16.323 1.522 8.468 354 HB2 ASN 53 2HB ASN 53 15.545 -0.503 7.164 355 HB3 ASN 53 1HB ASN 53 16.778 -0.838 8.379 356 HD21 ASN 53 1HD2 ASN 53 16.067 -3.057 8.712 357 HD22 ASN 53 2HD2 ASN 53 14.596 -3.415 9.476 358 H ASP 54 H ASP 54 14.959 2.175 6.723 359 HA ASP 54 HA ASP 54 12.382 3.210 7.497 360 HB2 ASP 54 2HB ASP 54 13.513 2.825 4.707 361 HB3 ASP 54 1HB ASP 54 12.207 3.919 5.163 362 H ASP 55 H ASP 55 11.153 2.424 4.824 363 HA ASP 55 HA ASP 55 10.539 -0.433 5.401 364 HB2 ASP 55 2HB ASP 55 8.591 1.858 5.147 365 HB3 ASP 55 1HB ASP 55 8.101 0.194 4.821 366 H ARG 56 H ARG 56 10.124 -1.649 3.532 367 HA ARG 56 HA ARG 56 10.488 -0.163 0.962 368 HB2 ARG 56 2HB ARG 56 11.050 -3.094 1.426 369 HB3 ARG 56 1HB ARG 56 11.571 -2.088 0.073 370 HG2 ARG 56 2HG ARG 56 12.598 -0.688 2.175 371 HG3 ARG 56 1HG ARG 56 12.721 -2.339 2.784 372 HD2 ARG 56 2HD ARG 56 13.826 -2.980 0.615 373 HD3 ARG 56 1HD ARG 56 13.848 -1.271 0.181 374 HE ARG 56 HE ARG 56 15.625 -0.961 1.709 375 HH11 ARG 56 1HH1 ARG 56 16.371 -3.817 1.177 376 HH12 ARG 56 2HH1 ARG 56 16.476 -4.467 2.779 377 HH21 ARG 56 1HH2 ARG 56 14.733 -1.849 4.240 378 HH22 ARG 56 2HH2 ARG 56 15.549 -3.352 4.515 379 H CYS 57 H CYS 57 9.025 -0.452 -0.646 380 HA CYS 57 HA CYS 57 6.392 -1.228 -0.170 381 HB2 CYS 57 2HB CYS 57 7.408 -0.054 -2.247 382 HB3 CYS 57 1HB CYS 57 7.728 -1.680 -2.834 383 H THR 58 H THR 58 5.332 -3.177 -0.216 384 HA THR 58 HA THR 58 6.946 -5.595 -0.018 385 HB THR 58 HB THR 58 4.105 -6.084 -0.233 386 HG1 THR 58 1HG THR 58 3.988 -4.736 1.908 387 HG21 THR 58 3HG2 THR 58 4.916 -7.600 1.221 388 HG22 THR 58 1HG2 THR 58 4.926 -6.313 2.427 389 HG23 THR 58 2HG2 THR 58 6.378 -6.650 1.486 390 H GLY 59 H GLY 59 5.477 -3.880 -2.562 391 HA2 GLY 59 2HA GLY 59 5.743 -4.466 -4.876 392 HA3 GLY 59 1HA GLY 59 6.018 -6.140 -4.395 393 H GLN 60 H GLN 60 3.832 -6.755 -2.893 394 HA GLN 60 HA GLN 60 1.652 -6.571 -4.904 395 HB2 GLN 60 2HB GLN 60 2.197 -8.428 -2.584 396 HB3 GLN 60 1HB GLN 60 0.634 -8.391 -3.400 397 HG2 GLN 60 2HG GLN 60 2.260 -8.536 -5.555 398 HG3 GLN 60 1HG GLN 60 3.255 -9.392 -4.377 399 HE21 GLN 60 1HE2 GLN 60 1.958 -10.692 -6.642 400 HE22 GLN 60 2HE2 GLN 60 0.826 -11.790 -6.013 401 H SER 61 H SER 61 2.577 -4.741 -2.408 402 HA SER 61 HA SER 61 -0.239 -4.302 -1.484 403 HB2 SER 61 2HB SER 61 2.328 -3.801 0.052 404 HB3 SER 61 1HB SER 61 0.698 -3.481 0.641 405 HG SER 61 HG SER 61 0.387 -5.564 0.926 406 H ALA 62 H ALA 62 -0.909 -2.107 -1.291 407 HA ALA 62 HA ALA 62 0.614 -0.254 -3.017 408 HB1 ALA 62 1HB ALA 62 -1.670 -0.159 -3.535 409 HB2 ALA 62 2HB ALA 62 -1.471 1.226 -2.462 410 HB3 ALA 62 3HB ALA 62 -2.156 -0.277 -1.843 411 H ASP 63 H ASP 63 -0.779 -0.237 0.285 412 HA ASP 63 HA ASP 63 0.718 2.190 0.952 413 HB2 ASP 63 2HB ASP 63 -0.478 0.491 3.092 414 HB3 ASP 63 1HB ASP 63 -0.511 2.244 2.898 415 H CYS 64 H CYS 64 2.840 2.093 1.413 416 HA CYS 64 HA CYS 64 4.406 -0.207 1.727 417 HB2 CYS 64 2HB CYS 64 4.888 2.493 1.708 418 HB3 CYS 64 1HB CYS 64 5.265 2.081 3.374 419 HA PRO 65 HA PRO 65 3.260 -1.741 5.647 420 HB2 PRO 65 2HB PRO 65 5.373 -3.469 5.885 421 HB3 PRO 65 1HB PRO 65 3.953 -3.804 4.895 422 HG2 PRO 65 2HG PRO 65 6.706 -3.019 4.070 423 HG3 PRO 65 1HG PRO 65 5.484 -3.943 3.177 424 HD2 PRO 65 2HD PRO 65 6.107 -1.237 2.758 425 HD3 PRO 65 1HD PRO 65 4.647 -2.063 2.179 426 H ARG 66 H ARG 66 3.682 -0.985 7.694 427 HA ARG 66 HA ARG 66 6.139 0.606 8.105 428 HB2 ARG 66 2HB ARG 66 4.947 1.137 10.323 429 HB3 ARG 66 1HB ARG 66 4.176 1.719 8.847 430 HG2 ARG 66 2HG ARG 66 2.373 0.378 9.132 431 HG3 ARG 66 1HG ARG 66 3.373 -1.012 9.556 432 HD2 ARG 66 2HD ARG 66 3.141 -0.644 11.784 433 HD3 ARG 66 1HD ARG 66 3.353 1.098 11.608 434 HE ARG 66 HE ARG 66 0.952 1.256 11.058 435 HH11 ARG 66 1HH2 ARG 66 1.957 -0.968 13.319 436 HH12 ARG 66 2HH2 ARG 66 0.498 -1.900 13.330 437 HH21 ARG 66 1HH1 ARG 66 -0.871 -0.289 10.585 438 HH22 ARG 66 2HH1 ARG 66 -1.102 -1.516 11.785 439 H ASN 67 H ASN 67 7.548 0.249 9.902 440 HA ASN 67 HA ASN 67 8.003 -2.553 10.526 441 HB2 ASN 67 2HB ASN 67 9.907 -1.698 11.828 442 HB3 ASN 67 1HB ASN 67 9.844 -0.894 10.265 443 HD21 ASN 67 1HD2 ASN 67 9.766 -0.381 13.688 444 HD22 ASN 67 2HD2 ASN 67 9.458 1.286 13.648 445 HA PRO 68 HA PRO 68 5.779 -2.791 14.314 446 HB2 PRO 68 2HB PRO 68 7.431 -4.428 15.790 447 HB3 PRO 68 1HB PRO 68 6.421 -4.997 14.450 448 HG2 PRO 68 2HG PRO 68 9.363 -4.603 14.556 449 HG3 PRO 68 1HG PRO 68 8.410 -5.648 13.490 450 HD2 PRO 68 2HD PRO 68 9.548 -3.134 12.821 451 HD3 PRO 68 1HD PRO 68 8.409 -4.071 11.839 452 H TRP 69 H TRP 69 7.861 -0.541 14.159 453 HA TRP 69 HA TRP 69 8.071 -0.128 17.098 454 HB2 TRP 69 2HB TRP 69 10.283 0.701 15.223 455 HB3 TRP 69 1HB TRP 69 10.341 0.501 16.977 456 HD1 TRP 69 HD TRP 69 9.306 -2.213 17.559 457 HE1 TRP 69 1HE TRP 69 10.349 -4.382 16.654 458 HE3 TRP 69 3HE TRP 69 11.806 -0.358 13.513 459 HZ2 TRP 69 2HZ TRP 69 12.007 -5.225 14.498 460 HZ3 TRP 69 3HZ TRP 69 13.102 -1.877 12.044 461 HH2 TRP 69 HH TRP 69 13.197 -4.306 12.537 462 H ASN 70 H ASN 70 7.065 1.086 14.112 463 HA ASN 70 HA ASN 70 6.940 3.842 15.264 464 HB2 ASN 70 2HB ASN 70 7.172 4.764 13.032 465 HB3 ASN 70 1HB ASN 70 8.515 3.656 13.315 466 HD21 ASN 70 1HD2 ASN 70 7.845 4.165 10.660 467 HD22 ASN 70 2HD2 ASN 70 7.088 2.809 9.980 468 H GLY 71 H GLY 71 4.870 2.488 16.014 469 HA2 GLY 71 2HA GLY 71 2.508 3.317 15.679 470 HA3 GLY 71 1HA GLY 71 2.739 2.969 13.967 Start of MODEL 3 1 H GLY 1 1HT GLY 1 -6.759 -7.989 5.058 2 HA2 GLY 1 1HA GLY 1 -8.241 -6.904 3.799 3 HA3 GLY 1 2HA GLY 1 -7.723 -8.056 2.569 4 H LYS 2 H LYS 2 -10.424 -6.802 3.966 5 HA LYS 2 HA LYS 2 -11.967 -9.344 3.774 6 HB2 LYS 2 2HB LYS 2 -12.411 -6.738 5.187 7 HB3 LYS 2 1HB LYS 2 -13.807 -7.720 4.741 8 HG2 LYS 2 2HG LYS 2 -11.624 -9.263 5.967 9 HG3 LYS 2 1HG LYS 2 -12.324 -8.050 7.040 10 HD2 LYS 2 2HD LYS 2 -14.593 -9.070 5.984 11 HD3 LYS 2 1HD LYS 2 -13.559 -10.496 5.887 12 HE2 LYS 2 2HE LYS 2 -14.475 -10.692 8.035 13 HE3 LYS 2 1HE LYS 2 -12.932 -9.898 8.354 14 HZ1 LYS 2 3HZ LYS 2 -14.640 -7.847 7.807 15 HZ2 LYS 2 1HZ LYS 2 -14.128 -8.331 9.350 16 HZ3 LYS 2 2HZ LYS 2 -15.593 -8.917 8.720 17 H GLU 3 H GLU 3 -13.484 -6.241 3.355 18 HA GLU 3 HA GLU 3 -13.828 -6.839 0.445 19 HB2 GLU 3 2HB GLU 3 -15.908 -5.799 2.392 20 HB3 GLU 3 1HB GLU 3 -16.145 -5.964 0.651 21 HG2 GLU 3 2HG GLU 3 -16.460 -8.203 0.794 22 HG3 GLU 3 1HG GLU 3 -15.115 -8.404 1.918 23 H CYS 4 H CYS 4 -12.246 -4.827 2.333 24 HA CYS 4 HA CYS 4 -12.993 -2.441 0.697 25 HB2 CYS 4 2HB CYS 4 -13.459 -2.256 3.200 26 HB3 CYS 4 1HB CYS 4 -11.712 -2.312 3.433 27 H ASP 5 H ASP 5 -11.374 -1.597 -0.520 28 HA ASP 5 HA ASP 5 -8.610 -2.639 -0.052 29 HB2 ASP 5 2HB ASP 5 -10.064 -2.897 -2.327 30 HB3 ASP 5 1HB ASP 5 -9.286 -1.345 -2.642 31 H CYS 6 H CYS 6 -10.354 -0.084 0.748 32 HA CYS 6 HA CYS 6 -8.042 1.763 0.564 33 HB2 CYS 6 2HB CYS 6 -9.477 3.602 -0.226 34 HB3 CYS 6 1HB CYS 6 -9.530 2.268 -1.376 35 H SER 7 H SER 7 -8.746 3.842 1.969 36 HA SER 7 HA SER 7 -10.262 2.789 4.324 37 HB2 SER 7 2HB SER 7 -7.697 4.359 4.165 38 HB3 SER 7 1HB SER 7 -8.721 4.481 5.593 39 HG SER 7 HG SER 7 -7.149 2.409 4.692 40 H SER 8 H SER 8 -10.318 5.017 1.858 41 HA SER 8 HA SER 8 -11.854 6.968 3.522 42 HB2 SER 8 2HB SER 8 -9.905 7.308 1.336 43 HB3 SER 8 1HB SER 8 -11.359 8.288 1.171 44 HG SER 8 HG SER 8 -10.358 9.529 2.551 45 HA PRO 9 HA PRO 9 -15.285 5.540 1.086 46 HB2 PRO 9 2HB PRO 9 -17.129 7.273 2.158 47 HB3 PRO 9 1HB PRO 9 -16.561 5.812 2.986 48 HG2 PRO 9 2HG PRO 9 -15.886 8.661 3.537 49 HG3 PRO 9 1HG PRO 9 -15.860 7.270 4.633 50 HD2 PRO 9 2HD PRO 9 -13.605 8.459 3.384 51 HD3 PRO 9 1HD PRO 9 -13.633 6.906 4.247 52 H GLU 10 H GLU 10 -13.643 8.413 0.716 53 HA GLU 10 HA GLU 10 -15.525 9.350 -1.416 54 HB2 GLU 10 2HB GLU 10 -14.980 10.893 0.608 55 HB3 GLU 10 1HB GLU 10 -13.402 11.084 -0.156 56 HG2 GLU 10 2HG GLU 10 -15.296 11.388 -2.225 57 HG3 GLU 10 1HG GLU 10 -15.917 12.321 -0.863 58 H ASN 11 H ASN 11 -13.483 7.274 -1.669 59 HA ASN 11 HA ASN 11 -11.430 8.638 -3.337 60 HB2 ASN 11 2HB ASN 11 -11.033 6.758 -1.474 61 HB3 ASN 11 1HB ASN 11 -11.359 5.696 -2.842 62 HD21 ASN 11 1HD2 ASN 11 -9.091 5.008 -2.952 63 HD22 ASN 11 2HD2 ASN 11 -7.886 6.053 -3.529 64 HA PRO 12 HA PRO 12 -13.736 7.247 -6.869 65 HB2 PRO 12 2HB PRO 12 -11.908 8.077 -8.749 66 HB3 PRO 12 1HB PRO 12 -13.034 9.172 -7.928 67 HG2 PRO 12 2HG PRO 12 -10.103 8.822 -7.493 68 HG3 PRO 12 1HG PRO 12 -11.119 10.244 -7.203 69 HD2 PRO 12 2HD PRO 12 -10.192 8.443 -5.228 70 HD3 PRO 12 1HD PRO 12 -11.470 9.659 -5.015 71 H CYS 13 H CYS 13 -10.326 6.459 -6.351 72 HA CYS 13 HA CYS 13 -10.310 4.278 -8.281 73 HB2 CYS 13 2HB CYS 13 -8.342 5.747 -7.186 74 HB3 CYS 13 1HB CYS 13 -8.314 4.381 -6.066 75 H CYS 14 H CYS 14 -11.863 4.601 -5.399 76 HA CYS 14 HA CYS 14 -11.801 1.658 -4.951 77 HB2 CYS 14 2HB CYS 14 -10.346 2.475 -3.232 78 HB3 CYS 14 1HB CYS 14 -11.421 3.824 -2.871 79 H ASP 15 H ASP 15 -13.870 1.287 -5.693 80 HA ASP 15 HA ASP 15 -16.122 2.936 -5.495 81 HB2 ASP 15 2HB ASP 15 -15.704 0.460 -6.486 82 HB3 ASP 15 1HB ASP 15 -16.559 0.035 -5.004 83 H ALA 16 H ALA 16 -16.959 3.847 -3.688 84 HA ALA 16 HA ALA 16 -16.387 2.908 -1.028 85 HB1 ALA 16 1HB ALA 16 -16.928 5.268 -1.512 86 HB2 ALA 16 2HB ALA 16 -18.043 4.601 -0.319 87 HB3 ALA 16 3HB ALA 16 -18.558 4.797 -1.995 88 H ALA 17 H ALA 17 -19.076 2.420 -3.267 89 HA ALA 17 HA ALA 17 -21.017 1.352 -1.548 90 HB1 ALA 17 1HB ALA 17 -20.922 1.643 -4.197 91 HB2 ALA 17 2HB ALA 17 -22.024 0.489 -3.447 92 HB3 ALA 17 3HB ALA 17 -20.496 -0.067 -4.132 93 H THR 18 H THR 18 -18.149 -0.223 -2.925 94 HA THR 18 HA THR 18 -18.702 -2.580 -1.172 95 HB THR 18 HB THR 18 -17.476 -3.924 -2.691 96 HG1 THR 18 1HG THR 18 -16.641 -1.617 -4.084 97 HG21 THR 18 3HG2 THR 18 -18.628 -1.967 -4.654 98 HG22 THR 18 1HG2 THR 18 -19.701 -2.797 -3.527 99 HG23 THR 18 2HG2 THR 18 -18.715 -3.729 -4.654 100 H CYS 19 H CYS 19 -16.687 0.140 -1.602 101 HA CYS 19 HA CYS 19 -14.932 0.897 -0.212 102 HB2 CYS 19 2HB CYS 19 -16.168 -0.869 1.408 103 HB3 CYS 19 1HB CYS 19 -14.649 -1.729 1.166 104 H LYS 20 H LYS 20 -14.850 -1.253 -2.585 105 HA LYS 20 HA LYS 20 -11.931 -1.845 -2.255 106 HB2 LYS 20 2HB LYS 20 -14.064 -3.296 -3.842 107 HB3 LYS 20 1HB LYS 20 -12.340 -3.651 -3.961 108 HG2 LYS 20 2HG LYS 20 -12.785 -3.652 -1.224 109 HG3 LYS 20 1HG LYS 20 -14.250 -4.396 -1.867 110 HD2 LYS 20 2HD LYS 20 -13.028 -6.303 -1.951 111 HD3 LYS 20 1HD LYS 20 -12.279 -5.588 -3.378 112 HE2 LYS 20 2HE LYS 20 -10.454 -4.713 -2.085 113 HE3 LYS 20 1HE LYS 20 -11.261 -5.107 -0.568 114 HZ1 LYS 20 3HZ LYS 20 -9.448 -6.677 -1.532 115 HZ2 LYS 20 1HZ LYS 20 -10.717 -7.248 -2.501 116 HZ3 LYS 20 2HZ LYS 20 -10.841 -7.329 -0.809 117 H LEU 21 H LEU 21 -11.072 -2.265 -4.732 118 HA LEU 21 HA LEU 21 -10.918 0.330 -5.910 119 HB2 LEU 21 2HB LEU 21 -10.179 -2.437 -6.838 120 HB3 LEU 21 1HB LEU 21 -10.046 -1.065 -7.939 121 HG LEU 21 HG LEU 21 -8.920 -0.539 -5.277 122 HD11 LEU 21 1HD1 LEU 21 -8.452 -3.054 -5.832 123 HD12 LEU 21 2HD1 LEU 21 -7.109 -2.030 -5.323 124 HD13 LEU 21 3HD1 LEU 21 -7.336 -2.402 -7.033 125 HD21 LEU 21 3HD2 LEU 21 -8.626 0.279 -7.997 126 HD22 LEU 21 1HD2 LEU 21 -7.065 -0.333 -7.451 127 HD23 LEU 21 2HD2 LEU 21 -7.858 0.971 -6.567 128 H ARG 22 H ARG 22 -12.266 1.345 -7.338 129 HA ARG 22 HA ARG 22 -14.718 -0.037 -8.147 130 HB2 ARG 22 2HB ARG 22 -15.312 2.115 -7.656 131 HB3 ARG 22 1HB ARG 22 -13.743 2.770 -8.102 132 HG2 ARG 22 2HG ARG 22 -15.491 3.535 -9.666 133 HG3 ARG 22 1HG ARG 22 -14.323 2.508 -10.497 134 HD2 ARG 22 2HD ARG 22 -16.195 0.695 -9.540 135 HD3 ARG 22 1HD ARG 22 -17.180 2.072 -10.035 136 HE ARG 22 HE ARG 22 -15.175 0.904 -11.915 137 HH11 ARG 22 1HH1 ARG 22 -18.056 -0.257 -11.495 138 HH12 ARG 22 2HH1 ARG 22 -18.851 0.438 -12.868 139 HH21 ARG 22 1HH2 ARG 22 -16.324 2.725 -13.506 140 HH22 ARG 22 2HH2 ARG 22 -17.870 2.126 -14.007 141 HA PRO 23 HA PRO 23 -12.905 0.654 -12.502 142 HB2 PRO 23 2HB PRO 23 -10.375 1.713 -12.696 143 HB3 PRO 23 1HB PRO 23 -11.850 2.695 -12.677 144 HG2 PRO 23 2HG PRO 23 -9.837 2.289 -10.512 145 HG3 PRO 23 1HG PRO 23 -10.914 3.666 -10.801 146 HD2 PRO 23 2HD PRO 23 -11.309 1.637 -8.874 147 HD3 PRO 23 1HD PRO 23 -12.522 2.816 -9.415 148 H GLY 24 H GLY 24 -10.432 -0.006 -13.614 149 HA2 GLY 24 2HA GLY 24 -10.017 -2.704 -12.476 150 HA3 GLY 24 1HA GLY 24 -9.441 -2.146 -14.047 151 H ALA 25 H ALA 25 -8.986 -0.288 -11.105 152 HA ALA 25 HA ALA 25 -6.095 -0.277 -11.538 153 HB1 ALA 25 1HB ALA 25 -6.321 1.020 -9.221 154 HB2 ALA 25 2HB ALA 25 -8.016 1.096 -9.701 155 HB3 ALA 25 3HB ALA 25 -6.774 1.789 -10.744 156 H GLN 26 H GLN 26 -4.527 -1.208 -10.132 157 HA GLN 26 HA GLN 26 -5.471 -3.574 -8.669 158 HB2 GLN 26 2HB GLN 26 -2.977 -2.654 -9.848 159 HB3 GLN 26 1HB GLN 26 -2.723 -3.268 -8.213 160 HG2 GLN 26 2HG GLN 26 -2.599 -5.254 -9.387 161 HG3 GLN 26 1HG GLN 26 -4.334 -5.200 -9.074 162 HE21 GLN 26 1HE2 GLN 26 -2.044 -5.513 -11.560 163 HE22 GLN 26 2HE2 GLN 26 -3.056 -5.151 -12.874 164 H CYS 27 H CYS 27 -5.147 -0.362 -7.892 165 HA CYS 27 HA CYS 27 -5.432 -0.843 -5.054 166 HB2 CYS 27 2HB CYS 27 -3.343 0.339 -4.372 167 HB3 CYS 27 1HB CYS 27 -3.028 -1.207 -5.158 168 H GLY 28 H GLY 28 -6.617 0.846 -4.293 169 HA2 GLY 28 2HA GLY 28 -6.844 3.243 -6.007 170 HA3 GLY 28 1HA GLY 28 -7.929 2.821 -4.684 171 H GLU 29 H GLU 29 -5.791 2.291 -2.776 172 HA GLU 29 HA GLU 29 -4.370 4.878 -2.559 173 HB2 GLU 29 2HB GLU 29 -6.591 5.228 -1.491 174 HB3 GLU 29 1HB GLU 29 -6.256 3.880 -0.406 175 HG2 GLU 29 2HG GLU 29 -4.031 5.724 -0.421 176 HG3 GLU 29 1HG GLU 29 -5.527 6.577 -0.039 177 H GLY 30 H GLY 30 -2.504 4.727 -1.240 178 HA2 GLY 30 2HA GLY 30 -1.775 3.024 0.742 179 HA3 GLY 30 1HA GLY 30 -1.642 1.970 -0.665 180 H LEU 31 H LEU 31 0.634 2.475 0.769 181 HA LEU 31 HA LEU 31 2.121 4.751 -0.254 182 HB2 LEU 31 2HB LEU 31 2.715 2.349 1.422 183 HB3 LEU 31 1HB LEU 31 4.073 3.150 0.636 184 HG LEU 31 HG LEU 31 2.039 4.770 2.142 185 HD11 LEU 31 1HD1 LEU 31 2.643 3.224 3.830 186 HD12 LEU 31 2HD1 LEU 31 3.736 4.586 4.079 187 HD13 LEU 31 3HD1 LEU 31 4.312 3.131 3.264 188 HD21 LEU 31 3HD2 LEU 31 3.448 6.319 1.254 189 HD22 LEU 31 1HD2 LEU 31 4.698 5.121 0.922 190 HD23 LEU 31 2HD2 LEU 31 4.552 5.819 2.535 191 H CYS 32 H CYS 32 2.008 1.276 -1.012 192 HA CYS 32 HA CYS 32 3.893 1.681 -3.253 193 HB2 CYS 32 2HB CYS 32 2.487 -0.902 -2.639 194 HB3 CYS 32 1HB CYS 32 4.080 -0.654 -3.349 195 H CYS 33 H CYS 33 1.518 3.099 -3.648 196 HA CYS 33 HA CYS 33 0.304 1.491 -5.852 197 HB2 CYS 33 2HB CYS 33 -1.288 1.659 -3.967 198 HB3 CYS 33 1HB CYS 33 -1.175 3.415 -4.032 199 H GLU 34 H GLU 34 1.387 2.473 -7.537 200 HA GLU 34 HA GLU 34 1.293 5.450 -7.689 201 HB2 GLU 34 2HB GLU 34 3.066 3.360 -8.950 202 HB3 GLU 34 1HB GLU 34 2.941 4.976 -9.648 203 HG2 GLU 34 2HG GLU 34 3.519 5.925 -7.395 204 HG3 GLU 34 1HG GLU 34 3.810 4.280 -6.828 205 H GLN 35 H GLN 35 -0.163 6.323 -9.089 206 HA GLN 35 HA GLN 35 -1.719 6.473 -10.837 207 HB2 GLN 35 2HB GLN 35 0.472 5.487 -12.018 208 HB3 GLN 35 1HB GLN 35 -0.569 4.074 -12.196 209 HG2 GLN 35 2HG GLN 35 -1.212 5.185 -14.100 210 HG3 GLN 35 1HG GLN 35 -2.307 5.978 -12.969 211 HE21 GLN 35 1HE2 GLN 35 -2.134 8.230 -12.829 212 HE22 GLN 35 2HE2 GLN 35 -0.828 9.136 -13.426 213 H CYS 36 H CYS 36 -2.222 4.833 -8.499 214 HA CYS 36 HA CYS 36 -3.863 3.347 -7.741 215 HB2 CYS 36 2HB CYS 36 -4.782 3.965 -10.524 216 HB3 CYS 36 1HB CYS 36 -5.528 2.636 -9.656 217 H LYS 37 H LYS 37 -1.297 2.468 -9.219 218 HA LYS 37 HA LYS 37 -2.207 -0.337 -9.726 219 HB2 LYS 37 2HB LYS 37 -0.624 1.453 -11.359 220 HB3 LYS 37 1HB LYS 37 0.310 0.015 -10.944 221 HG2 LYS 37 2HG LYS 37 -1.505 -1.425 -11.746 222 HG3 LYS 37 1HG LYS 37 -2.489 -0.008 -12.113 223 HD2 LYS 37 2HD LYS 37 -0.643 0.763 -13.658 224 HD3 LYS 37 1HD LYS 37 0.129 -0.804 -13.411 225 HE2 LYS 37 2HE LYS 37 -1.790 -1.963 -14.327 226 HE3 LYS 37 1HE LYS 37 -2.710 -0.462 -14.414 227 HZ1 LYS 37 3HZ LYS 37 -1.019 0.392 -15.962 228 HZ2 LYS 37 1HZ LYS 37 -1.820 -0.976 -16.565 229 HZ3 LYS 37 2HZ LYS 37 -0.248 -1.122 -15.937 230 H PHE 38 H PHE 38 -0.486 -1.982 -9.228 231 HA PHE 38 HA PHE 38 0.651 -1.438 -6.597 232 HB2 PHE 38 2HB PHE 38 0.678 -3.817 -8.453 233 HB3 PHE 38 1HB PHE 38 1.631 -3.797 -6.973 234 HD1 PHE 38 1HD PHE 38 -0.120 -2.313 -5.126 235 HD2 PHE 38 2HD PHE 38 -1.081 -5.323 -8.036 236 HE1 PHE 38 1HE PHE 38 -2.125 -2.945 -3.812 237 HE2 PHE 38 2HE PHE 38 -3.087 -5.953 -6.723 238 HZ PHE 38 HZ PHE 38 -3.610 -4.764 -4.610 239 H SER 39 H SER 39 2.545 -0.316 -6.419 240 HA SER 39 HA SER 39 4.389 0.083 -8.566 241 HB2 SER 39 2HB SER 39 4.714 0.297 -5.562 242 HB3 SER 39 1HB SER 39 5.994 0.727 -6.692 243 HG SER 39 HG SER 39 4.390 2.407 -5.935 244 H ARG 40 H ARG 40 6.887 -0.661 -7.897 245 HA ARG 40 HA ARG 40 6.733 -3.594 -8.111 246 HB2 ARG 40 2HB ARG 40 9.134 -1.735 -8.177 247 HB3 ARG 40 1HB ARG 40 9.159 -3.456 -8.560 248 HG2 ARG 40 2HG ARG 40 7.292 -1.592 -10.014 249 HG3 ARG 40 1HG ARG 40 8.970 -1.764 -10.528 250 HD2 ARG 40 2HD ARG 40 8.147 -4.390 -10.165 251 HD3 ARG 40 1HD ARG 40 6.726 -3.613 -10.863 252 HE ARG 40 HE ARG 40 9.385 -3.831 -12.170 253 HH11 ARG 40 1HH2 ARG 40 6.212 -4.397 -12.723 254 HH12 ARG 40 2HH2 ARG 40 6.073 -3.462 -14.175 255 HH21 ARG 40 1HH1 ARG 40 9.170 -1.945 -13.808 256 HH22 ARG 40 2HH1 ARG 40 7.748 -2.073 -14.789 257 H ALA 41 H ALA 41 8.491 -4.824 -6.784 258 HA ALA 41 HA ALA 41 8.018 -4.191 -3.952 259 HB1 ALA 41 1HB ALA 41 9.761 -6.414 -5.028 260 HB2 ALA 41 2HB ALA 41 8.003 -6.546 -4.997 261 HB3 ALA 41 3HB ALA 41 8.901 -6.350 -3.491 262 H GLY 42 H GLY 42 9.807 -4.140 -2.415 263 HA2 GLY 42 2HA GLY 42 11.868 -3.348 -1.670 264 HA3 GLY 42 1HA GLY 42 12.519 -3.626 -3.274 265 H LYS 43 H LYS 43 9.655 -1.683 -2.771 266 HA LYS 43 HA LYS 43 11.167 0.625 -3.866 267 HB2 LYS 43 2HB LYS 43 9.268 0.957 -5.029 268 HB3 LYS 43 1HB LYS 43 8.475 -0.348 -4.157 269 HG2 LYS 43 2HG LYS 43 7.143 1.600 -3.752 270 HG3 LYS 43 1HG LYS 43 8.067 1.360 -2.277 271 HD2 LYS 43 2HD LYS 43 9.356 3.223 -2.621 272 HD3 LYS 43 1HD LYS 43 9.358 3.024 -4.372 273 HE2 LYS 43 2HE LYS 43 7.948 4.828 -4.278 274 HE3 LYS 43 1HE LYS 43 6.741 3.574 -3.994 275 HZ1 LYS 43 3HZ LYS 43 8.224 4.660 -1.707 276 HZ2 LYS 43 1HZ LYS 43 6.649 4.032 -1.770 277 HZ3 LYS 43 2HZ LYS 43 6.967 5.586 -2.378 278 H ILE 44 H ILE 44 11.728 2.336 -2.628 279 HA ILE 44 HA ILE 44 11.554 2.290 0.204 280 HB ILE 44 HB ILE 44 13.215 3.708 -0.667 281 HG12 ILE 44 2HG1 ILE 44 12.533 6.051 -0.057 282 HG13 ILE 44 1HG1 ILE 44 10.873 5.481 0.108 283 HG21 ILE 44 1HG2 ILE 44 12.943 4.318 -2.813 284 HG22 ILE 44 2HG2 ILE 44 11.977 5.671 -2.220 285 HG23 ILE 44 3HG2 ILE 44 11.190 4.167 -2.699 286 HD11 ILE 44 3HD1 ILE 44 11.628 5.294 2.302 287 HD12 ILE 44 1HD1 ILE 44 13.266 4.865 1.809 288 HD13 ILE 44 2HD1 ILE 44 11.969 3.676 1.689 289 H CYS 45 H CYS 45 9.505 2.060 1.053 290 HA CYS 45 HA CYS 45 7.321 3.815 0.064 291 HB2 CYS 45 2HB CYS 45 6.334 2.401 2.266 292 HB3 CYS 45 1HB CYS 45 6.031 2.056 0.573 293 H ARG 46 H ARG 46 9.561 3.578 2.662 294 HA ARG 46 HA ARG 46 8.638 6.153 3.706 295 HB2 ARG 46 2HB ARG 46 7.882 3.622 4.997 296 HB3 ARG 46 1HB ARG 46 8.674 4.763 6.085 297 HG2 ARG 46 2HG ARG 46 7.065 6.526 5.080 298 HG3 ARG 46 1HG ARG 46 6.145 5.143 4.486 299 HD2 ARG 46 2HD ARG 46 6.983 5.153 7.359 300 HD3 ARG 46 1HD ARG 46 5.641 6.189 6.878 301 HE ARG 46 HE ARG 46 4.574 4.069 5.950 302 HH11 ARG 46 1HH1 ARG 46 7.464 3.331 7.502 303 HH12 ARG 46 2HH1 ARG 46 6.802 2.100 8.525 304 HH21 ARG 46 1HH2 ARG 46 3.514 2.761 7.646 305 HH22 ARG 46 2HH2 ARG 46 4.567 1.776 8.605 306 H ILE 47 H ILE 47 10.207 7.129 5.076 307 HA ILE 47 HA ILE 47 12.915 6.184 4.671 308 HB ILE 47 HB ILE 47 11.999 8.625 4.983 309 HG12 ILE 47 2HG1 ILE 47 14.450 8.357 6.597 310 HG13 ILE 47 1HG1 ILE 47 14.495 7.484 5.064 311 HG21 ILE 47 1HG2 ILE 47 12.187 9.464 7.275 312 HG22 ILE 47 2HG2 ILE 47 12.590 7.848 7.855 313 HG23 ILE 47 3HG2 ILE 47 10.984 8.177 7.206 314 HD11 ILE 47 3HD1 ILE 47 14.828 10.279 5.484 315 HD12 ILE 47 1HD1 ILE 47 13.306 10.057 4.621 316 HD13 ILE 47 2HD1 ILE 47 14.804 9.412 3.949 317 H ALA 48 H ALA 48 14.233 6.495 7.066 318 HA ALA 48 HA ALA 48 12.898 4.517 8.868 319 HB1 ALA 48 1HB ALA 48 14.548 3.102 8.224 320 HB2 ALA 48 2HB ALA 48 15.593 4.089 9.246 321 HB3 ALA 48 3HB ALA 48 15.503 4.402 7.513 322 H ARG 49 H ARG 49 12.820 5.149 10.976 323 HA ARG 49 HA ARG 49 14.230 7.659 11.712 324 HB2 ARG 49 2HB ARG 49 11.732 6.342 12.502 325 HB3 ARG 49 1HB ARG 49 12.670 6.921 13.879 326 HG2 ARG 49 2HG ARG 49 12.398 8.749 11.537 327 HG3 ARG 49 1HG ARG 49 10.981 8.525 12.566 328 HD2 ARG 49 2HD ARG 49 12.273 9.162 14.541 329 HD3 ARG 49 1HD ARG 49 13.736 9.304 13.566 330 HE ARG 49 HE ARG 49 11.492 11.002 12.704 331 HH11 ARG 49 1HH1 ARG 49 12.425 11.716 15.524 332 HH12 ARG 49 2HH1 ARG 49 13.612 12.929 15.183 333 HH21 ARG 49 1HH2 ARG 49 13.870 12.108 11.823 334 HH22 ARG 49 2HH2 ARG 49 14.431 13.151 13.087 335 H GLY 50 H GLY 50 16.332 6.995 12.220 336 HA2 GLY 50 2HA GLY 50 17.252 6.322 14.620 337 HA3 GLY 50 1HA GLY 50 16.664 4.737 14.117 338 H ASP 51 H ASP 51 17.966 3.517 12.801 339 HA ASP 51 HA ASP 51 19.909 4.621 10.985 340 HB2 ASP 51 2HB ASP 51 20.721 4.241 13.759 341 HB3 ASP 51 1HB ASP 51 21.702 3.278 12.653 342 H TRP 52 H TRP 52 18.103 2.819 10.335 343 HA TRP 52 HA TRP 52 19.622 0.252 10.235 344 HB2 TRP 52 2HB TRP 52 17.146 -0.723 10.106 345 HB3 TRP 52 1HB TRP 52 17.929 -0.424 11.653 346 HD1 TRP 52 HD TRP 52 16.075 1.958 9.204 347 HE1 TRP 52 1HE TRP 52 14.339 3.291 10.557 348 HE3 TRP 52 3HE TRP 52 16.800 -0.084 13.834 349 HZ2 TRP 52 2HZ TRP 52 13.381 3.475 13.243 350 HZ3 TRP 52 3HZ TRP 52 15.463 0.697 15.769 351 HH2 TRP 52 HH TRP 52 13.757 2.471 15.480 352 H ASN 53 H ASN 53 16.549 0.260 8.697 353 HA ASN 53 HA ASN 53 17.777 1.090 6.116 354 HB2 ASN 53 2HB ASN 53 16.612 -1.562 6.843 355 HB3 ASN 53 1HB ASN 53 16.287 -0.939 5.225 356 HD21 ASN 53 1HD2 ASN 53 18.064 -0.801 3.727 357 HD22 ASN 53 2HD2 ASN 53 19.604 -1.425 4.080 358 H ASP 54 H ASP 54 16.196 1.791 4.535 359 HA ASP 54 HA ASP 54 13.971 3.206 5.678 360 HB2 ASP 54 2HB ASP 54 13.423 3.818 3.388 361 HB3 ASP 54 1HB ASP 54 15.174 3.887 3.590 362 H ASP 55 H ASP 55 12.067 2.546 3.468 363 HA ASP 55 HA ASP 55 11.137 -0.102 4.501 364 HB2 ASP 55 2HB ASP 55 9.763 2.499 4.301 365 HB3 ASP 55 1HB ASP 55 8.839 1.136 3.666 366 H ARG 56 H ARG 56 11.264 -1.567 2.902 367 HA ARG 56 HA ARG 56 11.163 -0.723 0.063 368 HB2 ARG 56 2HB ARG 56 12.156 -3.024 1.610 369 HB3 ARG 56 1HB ARG 56 11.359 -3.476 0.105 370 HG2 ARG 56 2HG ARG 56 13.661 -3.117 -0.445 371 HG3 ARG 56 1HG ARG 56 12.787 -1.711 -1.039 372 HD2 ARG 56 2HD ARG 56 15.000 -1.428 0.380 373 HD3 ARG 56 1HD ARG 56 13.645 -0.318 0.558 374 HE ARG 56 HE ARG 56 13.162 -1.303 2.690 375 HH11 ARG 56 1HH2 ARG 56 13.634 -4.173 1.968 376 HH12 ARG 56 2HH2 ARG 56 15.066 -4.544 2.870 377 HH21 ARG 56 1HH1 ARG 56 15.902 -1.225 3.420 378 HH22 ARG 56 2HH1 ARG 56 16.348 -2.877 3.691 379 H CYS 57 H CYS 57 9.321 -0.840 -1.105 380 HA CYS 57 HA CYS 57 6.841 -1.743 0.061 381 HB2 CYS 57 2HB CYS 57 7.733 -0.607 -2.523 382 HB3 CYS 57 1HB CYS 57 6.269 -1.584 -2.583 383 H THR 58 H THR 58 5.650 -3.609 -0.390 384 HA THR 58 HA THR 58 7.108 -6.005 -0.973 385 HB THR 58 HB THR 58 4.290 -6.357 -1.433 386 HG1 THR 58 1HG THR 58 3.957 -5.556 0.907 387 HG21 THR 58 3HG2 THR 58 5.726 -6.975 1.132 388 HG22 THR 58 1HG2 THR 58 6.156 -7.835 -0.347 389 HG23 THR 58 2HG2 THR 58 4.511 -7.930 0.282 390 H GLY 59 H GLY 59 5.145 -3.856 -2.965 391 HA2 GLY 59 2HA GLY 59 5.466 -3.681 -5.359 392 HA3 GLY 59 1HA GLY 59 6.130 -5.314 -5.359 393 H GLN 60 H GLN 60 3.959 -6.396 -3.694 394 HA GLN 60 HA GLN 60 1.814 -6.416 -5.775 395 HB2 GLN 60 2HB GLN 60 3.085 -8.506 -4.118 396 HB3 GLN 60 1HB GLN 60 1.326 -8.612 -4.211 397 HG2 GLN 60 2HG GLN 60 1.955 -8.105 -6.821 398 HG3 GLN 60 1HG GLN 60 3.355 -9.052 -6.315 399 HE21 GLN 60 1HE2 GLN 60 0.026 -9.251 -7.218 400 HE22 GLN 60 2HE2 GLN 60 -0.197 -10.897 -6.864 401 H SER 61 H SER 61 2.502 -5.093 -2.834 402 HA SER 61 HA SER 61 -0.353 -5.256 -1.951 403 HB2 SER 61 2HB SER 61 1.273 -6.246 -0.342 404 HB3 SER 61 1HB SER 61 2.098 -4.694 -0.256 405 HG SER 61 HG SER 61 -0.187 -3.929 0.248 406 H ALA 62 H ALA 62 -1.444 -3.357 -2.091 407 HA ALA 62 HA ALA 62 -0.376 -0.976 -3.152 408 HB1 ALA 62 1HB ALA 62 -2.601 -0.759 -1.168 409 HB2 ALA 62 2HB ALA 62 -2.873 -1.749 -2.600 410 HB3 ALA 62 3HB ALA 62 -2.458 -0.045 -2.773 411 H ASP 63 H ASP 63 -0.842 -1.856 0.282 412 HA ASP 63 HA ASP 63 0.451 0.648 1.122 413 HB2 ASP 63 2HB ASP 63 -0.815 -1.679 2.534 414 HB3 ASP 63 1HB ASP 63 0.274 -0.613 3.425 415 H CYS 64 H CYS 64 2.195 0.213 2.986 416 HA CYS 64 HA CYS 64 4.191 -1.681 1.813 417 HB2 CYS 64 2HB CYS 64 4.878 0.663 1.585 418 HB3 CYS 64 1HB CYS 64 4.642 0.924 3.309 419 HA PRO 65 HA PRO 65 3.939 -3.785 5.627 420 HB2 PRO 65 2HB PRO 65 6.117 -5.387 5.175 421 HB3 PRO 65 1HB PRO 65 4.529 -5.687 4.471 422 HG2 PRO 65 2HG PRO 65 7.003 -4.627 3.197 423 HG3 PRO 65 1HG PRO 65 5.649 -5.506 2.464 424 HD2 PRO 65 2HD PRO 65 6.070 -2.737 2.300 425 HD3 PRO 65 1HD PRO 65 4.548 -3.573 1.936 426 H ARG 66 H ARG 66 6.105 -4.681 7.107 427 HA ARG 66 HA ARG 66 7.730 -2.210 7.550 428 HB2 ARG 66 2HB ARG 66 7.604 -2.727 10.010 429 HB3 ARG 66 1HB ARG 66 6.055 -2.260 9.298 430 HG2 ARG 66 2HG ARG 66 6.111 -5.008 8.925 431 HG3 ARG 66 1HG ARG 66 6.860 -4.806 10.508 432 HD2 ARG 66 2HD ARG 66 4.809 -3.095 10.805 433 HD3 ARG 66 1HD ARG 66 4.078 -4.196 9.637 434 HE ARG 66 HE ARG 66 4.417 -6.023 11.258 435 HH11 ARG 66 1HH1 ARG 66 5.888 -3.189 12.403 436 HH12 ARG 66 2HH1 ARG 66 5.370 -3.391 14.043 437 HH21 ARG 66 1HH2 ARG 66 3.363 -6.133 13.348 438 HH22 ARG 66 2HH2 ARG 66 3.940 -5.059 14.579 439 H ASN 67 H ASN 67 9.631 -2.745 9.059 440 HA ASN 67 HA ASN 67 10.871 -5.287 8.112 441 HB2 ASN 67 2HB ASN 67 13.013 -4.187 8.537 442 HB3 ASN 67 1HB ASN 67 12.013 -3.117 7.560 443 HD21 ASN 67 1HD2 ASN 67 13.928 -3.199 10.340 444 HD22 ASN 67 2HD2 ASN 67 13.323 -1.815 11.109 445 HA PRO 68 HA PRO 68 10.971 -6.765 12.254 446 HB2 PRO 68 2HB PRO 68 13.373 -8.112 12.283 447 HB3 PRO 68 1HB PRO 68 11.924 -8.701 11.448 448 HG2 PRO 68 2HG PRO 68 14.407 -7.533 10.310 449 HG3 PRO 68 1HG PRO 68 13.225 -8.608 9.550 450 HD2 PRO 68 2HD PRO 68 13.445 -5.802 9.172 451 HD3 PRO 68 1HD PRO 68 12.129 -6.842 8.603 452 H TRP 69 H TRP 69 12.423 -4.057 11.689 453 HA TRP 69 HA TRP 69 13.921 -4.049 14.265 454 HB2 TRP 69 2HB TRP 69 14.889 -2.486 11.874 455 HB3 TRP 69 1HB TRP 69 15.774 -2.924 13.337 456 HD1 TRP 69 HD TRP 69 15.433 -5.882 13.632 457 HE1 TRP 69 1HE TRP 69 16.259 -7.582 11.889 458 HE3 TRP 69 3HE TRP 69 15.671 -2.871 9.520 459 HZ2 TRP 69 2HZ TRP 69 16.924 -7.664 9.120 460 HZ3 TRP 69 3HZ TRP 69 16.399 -3.793 7.337 461 HH2 TRP 69 HH TRP 69 17.020 -6.186 7.138 462 H ASN 70 H ASN 70 11.521 -2.639 12.340 463 HA ASN 70 HA ASN 70 11.768 -0.007 13.706 464 HB2 ASN 70 2HB ASN 70 10.223 -0.988 11.312 465 HB3 ASN 70 1HB ASN 70 9.758 0.504 12.131 466 HD21 ASN 70 1HD2 ASN 70 10.442 1.727 10.171 467 HD22 ASN 70 2HD2 ASN 70 12.090 1.999 9.872 468 H GLY 71 H GLY 71 11.149 -1.685 15.617 469 HA2 GLY 71 2HA GLY 71 9.520 -1.858 17.329 470 HA3 GLY 71 1HA GLY 71 8.368 -1.041 16.270 Start of MODEL 4 1 H GLY 1 1HT GLY 1 -17.812 -3.965 5.696 2 HA2 GLY 1 1HA GLY 1 -17.426 -6.418 7.115 3 HA3 GLY 1 2HA GLY 1 -18.358 -6.634 5.633 4 H LYS 2 H LYS 2 -16.975 -7.253 4.041 5 HA LYS 2 HA LYS 2 -14.336 -5.850 3.875 6 HB2 LYS 2 2HB LYS 2 -15.063 -8.672 3.741 7 HB3 LYS 2 1HB LYS 2 -14.156 -8.160 2.317 8 HG2 LYS 2 2HG LYS 2 -12.546 -8.850 3.973 9 HG3 LYS 2 1HG LYS 2 -12.483 -7.089 3.886 10 HD2 LYS 2 2HD LYS 2 -13.327 -6.824 5.986 11 HD3 LYS 2 1HD LYS 2 -14.445 -8.177 5.813 12 HE2 LYS 2 2HE LYS 2 -11.692 -9.099 5.802 13 HE3 LYS 2 1HE LYS 2 -12.043 -8.173 7.260 14 HZ1 LYS 2 3HZ LYS 2 -14.121 -10.018 6.484 15 HZ2 LYS 2 1HZ LYS 2 -13.441 -9.728 8.010 16 HZ3 LYS 2 2HZ LYS 2 -12.656 -10.762 6.915 17 H GLU 3 H GLU 3 -16.238 -4.412 2.742 18 HA GLU 3 HA GLU 3 -16.066 -5.064 -0.173 19 HB2 GLU 3 2HB GLU 3 -18.369 -4.407 1.512 20 HB3 GLU 3 1HB GLU 3 -18.234 -3.352 0.106 21 HG2 GLU 3 2HG GLU 3 -18.019 -5.366 -1.347 22 HG3 GLU 3 1HG GLU 3 -18.272 -6.384 0.073 23 H CYS 4 H CYS 4 -14.447 -3.318 1.795 24 HA CYS 4 HA CYS 4 -14.658 -0.808 0.182 25 HB2 CYS 4 2HB CYS 4 -14.610 -1.223 3.090 26 HB3 CYS 4 1HB CYS 4 -13.418 -0.050 2.531 27 H ASP 5 H ASP 5 -12.921 -0.857 -1.180 28 HA ASP 5 HA ASP 5 -10.395 -2.112 -0.308 29 HB2 ASP 5 2HB ASP 5 -11.441 -2.265 -2.680 30 HB3 ASP 5 1HB ASP 5 -10.817 -0.630 -2.904 31 H CYS 6 H CYS 6 -11.853 0.989 -0.403 32 HA CYS 6 HA CYS 6 -9.290 2.203 0.488 33 HB2 CYS 6 2HB CYS 6 -9.570 4.131 -0.953 34 HB3 CYS 6 1HB CYS 6 -9.626 2.688 -1.965 35 H SER 7 H SER 7 -9.742 4.374 1.564 36 HA SER 7 HA SER 7 -12.403 4.239 2.919 37 HB2 SER 7 2HB SER 7 -11.225 5.610 4.711 38 HB3 SER 7 1HB SER 7 -10.650 3.956 4.526 39 HG SER 7 HG SER 7 -8.778 4.769 4.073 40 H SER 8 H SER 8 -10.612 6.021 0.681 41 HA SER 8 HA SER 8 -12.086 8.530 1.328 42 HB2 SER 8 2HB SER 8 -9.501 7.918 0.018 43 HB3 SER 8 1HB SER 8 -10.429 9.225 -0.711 44 HG SER 8 HG SER 8 -9.920 9.016 2.072 45 HA PRO 9 HA PRO 9 -14.685 7.527 -2.134 46 HB2 PRO 9 2HB PRO 9 -16.160 9.846 -2.056 47 HB3 PRO 9 1HB PRO 9 -16.409 8.492 -0.942 48 HG2 PRO 9 2HG PRO 9 -15.123 11.130 -0.425 49 HG3 PRO 9 1HG PRO 9 -15.934 10.037 0.708 50 HD2 PRO 9 2HD PRO 9 -13.133 10.330 0.393 51 HD3 PRO 9 1HD PRO 9 -13.958 9.037 1.289 52 H GLU 10 H GLU 10 -12.682 10.372 -1.848 53 HA GLU 10 HA GLU 10 -13.100 11.167 -4.657 54 HB2 GLU 10 2HB GLU 10 -11.812 12.321 -2.263 55 HB3 GLU 10 1HB GLU 10 -10.967 12.642 -3.777 56 HG2 GLU 10 2HG GLU 10 -13.366 13.229 -4.671 57 HG3 GLU 10 1HG GLU 10 -13.747 13.431 -2.961 58 H ASN 11 H ASN 11 -11.585 8.636 -3.403 59 HA ASN 11 HA ASN 11 -8.933 8.900 -4.574 60 HB2 ASN 11 2HB ASN 11 -9.396 7.416 -2.633 61 HB3 ASN 11 1HB ASN 11 -10.405 6.408 -3.671 62 HD21 ASN 11 1HD2 ASN 11 -7.838 5.658 -2.312 63 HD22 ASN 11 2HD2 ASN 11 -6.789 5.175 -3.556 64 HA PRO 12 HA PRO 12 -10.439 7.811 -8.641 65 HB2 PRO 12 2HB PRO 12 -8.017 8.142 -9.893 66 HB3 PRO 12 1HB PRO 12 -9.080 9.489 -9.449 67 HG2 PRO 12 2HG PRO 12 -6.531 8.614 -8.179 68 HG3 PRO 12 1HG PRO 12 -7.289 10.215 -8.184 69 HD2 PRO 12 2HD PRO 12 -7.340 8.340 -6.049 70 HD3 PRO 12 1HD PRO 12 -8.308 9.824 -6.173 71 H CYS 13 H CYS 13 -9.064 5.818 -6.592 72 HA CYS 13 HA CYS 13 -8.146 3.869 -8.662 73 HB2 CYS 13 2HB CYS 13 -7.354 4.172 -5.751 74 HB3 CYS 13 1HB CYS 13 -6.893 2.795 -6.751 75 H CYS 14 H CYS 14 -10.544 4.569 -6.328 76 HA CYS 14 HA CYS 14 -11.499 1.748 -6.535 77 HB2 CYS 14 2HB CYS 14 -12.312 1.928 -4.182 78 HB3 CYS 14 1HB CYS 14 -10.555 2.024 -4.306 79 H ASP 15 H ASP 15 -13.724 1.495 -6.696 80 HA ASP 15 HA ASP 15 -15.234 3.726 -7.749 81 HB2 ASP 15 2HB ASP 15 -15.454 1.137 -8.187 82 HB3 ASP 15 1HB ASP 15 -16.500 1.183 -6.770 83 H ALA 16 H ALA 16 -16.595 5.085 -6.653 84 HA ALA 16 HA ALA 16 -16.599 5.061 -3.752 85 HB1 ALA 16 1HB ALA 16 -17.187 6.924 -5.794 86 HB2 ALA 16 2HB ALA 16 -17.191 7.211 -4.053 87 HB3 ALA 16 3HB ALA 16 -18.676 6.727 -4.870 88 H ALA 17 H ALA 17 -18.847 4.037 -6.271 89 HA ALA 17 HA ALA 17 -21.142 3.696 -4.588 90 HB1 ALA 17 1HB ALA 17 -21.173 3.683 -7.101 91 HB2 ALA 17 2HB ALA 17 -22.032 2.322 -6.380 92 HB3 ALA 17 3HB ALA 17 -20.420 2.089 -7.056 93 H THR 18 H THR 18 -18.509 1.478 -5.509 94 HA THR 18 HA THR 18 -19.593 -0.505 -3.570 95 HB THR 18 HB THR 18 -18.248 -2.144 -4.674 96 HG1 THR 18 1HG THR 18 -16.620 -1.593 -6.056 97 HG21 THR 18 3HG2 THR 18 -19.323 -2.180 -6.705 98 HG22 THR 18 1HG2 THR 18 -18.924 -0.500 -7.064 99 HG23 THR 18 2HG2 THR 18 -20.237 -0.875 -5.947 100 H CYS 19 H CYS 19 -17.257 1.947 -3.781 101 HA CYS 19 HA CYS 19 -15.513 2.554 -2.322 102 HB2 CYS 19 2HB CYS 19 -17.225 2.112 -0.591 103 HB3 CYS 19 1HB CYS 19 -16.786 0.405 -0.594 104 H LYS 20 H LYS 20 -15.235 0.338 -4.314 105 HA LYS 20 HA LYS 20 -12.850 -0.963 -3.060 106 HB2 LYS 20 2HB LYS 20 -15.085 -2.225 -4.639 107 HB3 LYS 20 1HB LYS 20 -13.483 -2.962 -4.599 108 HG2 LYS 20 2HG LYS 20 -14.287 -2.189 -1.936 109 HG3 LYS 20 1HG LYS 20 -15.523 -3.214 -2.668 110 HD2 LYS 20 2HD LYS 20 -12.567 -3.887 -2.623 111 HD3 LYS 20 1HD LYS 20 -13.741 -4.512 -1.466 112 HE2 LYS 20 2HE LYS 20 -14.236 -4.809 -4.417 113 HE3 LYS 20 1HE LYS 20 -13.173 -5.940 -3.582 114 HZ1 LYS 20 3HZ LYS 20 -15.986 -5.851 -3.591 115 HZ2 LYS 20 1HZ LYS 20 -15.437 -5.619 -2.003 116 HZ3 LYS 20 2HZ LYS 20 -14.963 -7.000 -2.871 117 H LEU 21 H LEU 21 -11.889 -2.287 -5.308 118 HA LEU 21 HA LEU 21 -10.695 -0.145 -6.791 119 HB2 LEU 21 2HB LEU 21 -10.821 -3.133 -7.151 120 HB3 LEU 21 1HB LEU 21 -10.088 -2.115 -8.392 121 HG LEU 21 HG LEU 21 -9.140 -1.300 -5.795 122 HD11 LEU 21 1HD1 LEU 21 -9.683 -4.062 -5.926 123 HD12 LEU 21 2HD1 LEU 21 -8.683 -3.234 -4.733 124 HD13 LEU 21 3HD1 LEU 21 -7.944 -3.909 -6.186 125 HD21 LEU 21 3HD2 LEU 21 -8.201 -1.226 -8.285 126 HD22 LEU 21 1HD2 LEU 21 -7.464 -2.755 -7.806 127 HD23 LEU 21 2HD2 LEU 21 -7.103 -1.283 -6.906 128 H ARG 22 H ARG 22 -11.422 0.914 -8.607 129 HA ARG 22 HA ARG 22 -14.013 0.002 -9.718 130 HB2 ARG 22 2HB ARG 22 -14.297 2.241 -9.323 131 HB3 ARG 22 1HB ARG 22 -12.599 2.620 -9.569 132 HG2 ARG 22 2HG ARG 22 -12.837 2.768 -11.890 133 HG3 ARG 22 1HG ARG 22 -14.243 1.703 -11.911 134 HD2 ARG 22 2HD ARG 22 -15.707 3.396 -11.388 135 HD3 ARG 22 1HD ARG 22 -14.517 4.268 -10.421 136 HE ARG 22 HE ARG 22 -13.868 5.432 -12.371 137 HH11 ARG 22 1HH2 ARG 22 -16.744 4.548 -13.231 138 HH12 ARG 22 2HH2 ARG 22 -16.422 4.050 -14.859 139 HH21 ARG 22 1HH1 ARG 22 -12.983 3.953 -14.429 140 HH22 ARG 22 2HH1 ARG 22 -14.293 3.713 -15.537 141 HA PRO 23 HA PRO 23 -11.484 0.129 -13.726 142 HB2 PRO 23 2HB PRO 23 -8.894 1.033 -13.665 143 HB3 PRO 23 1HB PRO 23 -10.289 2.096 -13.922 144 HG2 PRO 23 2HG PRO 23 -8.603 1.768 -11.482 145 HG3 PRO 23 1HG PRO 23 -9.530 3.176 -12.025 146 HD2 PRO 23 2HD PRO 23 -10.318 1.362 -10.007 147 HD3 PRO 23 1HD PRO 23 -11.354 2.559 -10.807 148 H GLY 24 H GLY 24 -9.178 -0.939 -14.559 149 HA2 GLY 24 2HA GLY 24 -8.981 -3.459 -13.096 150 HA3 GLY 24 1HA GLY 24 -8.092 -3.042 -14.562 151 H ALA 25 H ALA 25 -8.271 -1.786 -11.209 152 HA ALA 25 HA ALA 25 -5.335 -1.363 -11.291 153 HB1 ALA 25 1HB ALA 25 -6.114 0.552 -10.328 154 HB2 ALA 25 2HB ALA 25 -6.126 -0.421 -8.857 155 HB3 ALA 25 3HB ALA 25 -7.609 -0.210 -9.787 156 H GLN 26 H GLN 26 -4.252 -1.818 -9.056 157 HA GLN 26 HA GLN 26 -4.906 -4.630 -8.343 158 HB2 GLN 26 2HB GLN 26 -2.461 -2.973 -8.420 159 HB3 GLN 26 1HB GLN 26 -2.585 -4.026 -7.012 160 HG2 GLN 26 2HG GLN 26 -1.451 -5.190 -8.859 161 HG3 GLN 26 1HG GLN 26 -2.999 -5.959 -8.501 162 HE21 GLN 26 1HE2 GLN 26 -1.332 -3.838 -10.827 163 HE22 GLN 26 2HE2 GLN 26 -2.479 -4.016 -12.067 164 H CYS 27 H CYS 27 -4.363 -1.440 -6.894 165 HA CYS 27 HA CYS 27 -5.981 -2.297 -4.563 166 HB2 CYS 27 2HB CYS 27 -3.973 -2.643 -3.485 167 HB3 CYS 27 1HB CYS 27 -3.091 -1.545 -4.534 168 H GLY 28 H GLY 28 -6.734 -0.379 -3.310 169 HA2 GLY 28 2HA GLY 28 -7.152 1.921 -5.133 170 HA3 GLY 28 1HA GLY 28 -8.112 1.567 -3.703 171 H GLU 29 H GLU 29 -5.955 1.130 -1.918 172 HA GLU 29 HA GLU 29 -4.371 3.617 -2.008 173 HB2 GLU 29 2HB GLU 29 -5.141 4.233 0.267 174 HB3 GLU 29 1HB GLU 29 -6.428 4.310 -0.924 175 HG2 GLU 29 2HG GLU 29 -7.585 3.039 0.565 176 HG3 GLU 29 1HG GLU 29 -6.626 1.713 -0.094 177 H GLY 30 H GLY 30 -2.449 3.445 -0.822 178 HA2 GLY 30 2HA GLY 30 -1.771 1.815 1.295 179 HA3 GLY 30 1HA GLY 30 -1.650 0.732 -0.094 180 H LEU 31 H LEU 31 0.637 1.339 1.377 181 HA LEU 31 HA LEU 31 2.102 3.581 0.312 182 HB2 LEU 31 2HB LEU 31 2.856 1.073 1.805 183 HB3 LEU 31 1HB LEU 31 4.099 2.155 1.179 184 HG LEU 31 HG LEU 31 1.808 3.162 2.870 185 HD11 LEU 31 1HD1 LEU 31 3.483 1.331 3.867 186 HD12 LEU 31 2HD1 LEU 31 2.951 2.714 4.823 187 HD13 LEU 31 3HD1 LEU 31 4.527 2.743 4.031 188 HD21 LEU 31 3HD2 LEU 31 2.781 5.156 2.479 189 HD22 LEU 31 1HD2 LEU 31 3.936 4.361 1.410 190 HD23 LEU 31 2HD2 LEU 31 4.309 4.555 3.123 191 H CYS 32 H CYS 32 1.220 0.577 -1.007 192 HA CYS 32 HA CYS 32 3.381 0.797 -3.061 193 HB2 CYS 32 2HB CYS 32 2.619 -1.401 -1.494 194 HB3 CYS 32 1HB CYS 32 1.952 -1.727 -3.095 195 H CYS 33 H CYS 33 0.260 1.611 -2.588 196 HA CYS 33 HA CYS 33 -0.760 0.647 -5.194 197 HB2 CYS 33 2HB CYS 33 -2.132 2.555 -3.310 198 HB3 CYS 33 1HB CYS 33 -2.874 1.487 -4.499 199 H GLU 34 H GLU 34 0.781 1.846 -6.522 200 HA GLU 34 HA GLU 34 0.493 4.806 -6.441 201 HB2 GLU 34 2HB GLU 34 2.789 4.124 -6.487 202 HB3 GLU 34 1HB GLU 34 2.487 2.965 -7.782 203 HG2 GLU 34 2HG GLU 34 2.494 4.574 -9.410 204 HG3 GLU 34 1HG GLU 34 1.747 5.781 -8.362 205 H GLN 35 H GLN 35 -0.976 5.666 -7.812 206 HA GLN 35 HA GLN 35 -2.282 5.976 -9.733 207 HB2 GLN 35 2HB GLN 35 0.198 5.209 -10.653 208 HB3 GLN 35 1HB GLN 35 -0.862 4.007 -11.392 209 HG2 GLN 35 2HG GLN 35 -2.337 5.923 -12.152 210 HG3 GLN 35 1HG GLN 35 -1.064 7.021 -11.616 211 HE21 GLN 35 1HE2 GLN 35 1.147 5.205 -12.410 212 HE22 GLN 35 2HE2 GLN 35 1.198 5.234 -14.106 213 H CYS 36 H CYS 36 -2.978 3.954 -7.797 214 HA CYS 36 HA CYS 36 -4.529 2.207 -7.577 215 HB2 CYS 36 2HB CYS 36 -5.097 2.388 -10.528 216 HB3 CYS 36 1HB CYS 36 -6.210 2.037 -9.202 217 H LYS 37 H LYS 37 -1.758 1.633 -8.198 218 HA LYS 37 HA LYS 37 -2.136 -1.089 -9.313 219 HB2 LYS 37 2HB LYS 37 -0.825 1.076 -10.711 220 HB3 LYS 37 1HB LYS 37 0.342 -0.195 -10.343 221 HG2 LYS 37 2HG LYS 37 -1.608 -1.779 -11.185 222 HG3 LYS 37 1HG LYS 37 -2.128 -0.323 -12.033 223 HD2 LYS 37 2HD LYS 37 0.760 -0.853 -12.236 224 HD3 LYS 37 1HD LYS 37 -0.249 -2.094 -12.980 225 HE2 LYS 37 2HE LYS 37 -0.598 -0.740 -14.741 226 HE3 LYS 37 1HE LYS 37 -1.362 0.436 -13.672 227 HZ1 LYS 37 3HZ LYS 37 1.127 0.605 -14.958 228 HZ2 LYS 37 1HZ LYS 37 1.397 0.587 -13.284 229 HZ3 LYS 37 2HZ LYS 37 0.370 1.757 -13.965 230 H PHE 38 H PHE 38 -0.311 -2.524 -8.719 231 HA PHE 38 HA PHE 38 0.700 -1.874 -6.058 232 HB2 PHE 38 2HB PHE 38 1.052 -4.254 -7.890 233 HB3 PHE 38 1HB PHE 38 1.900 -4.124 -6.354 234 HD1 PHE 38 2HD PHE 38 -0.258 -2.716 -4.754 235 HD2 PHE 38 1HD PHE 38 -0.422 -6.062 -7.446 236 HE1 PHE 38 2HE PHE 38 -2.264 -3.565 -3.579 237 HE2 PHE 38 1HE PHE 38 -2.427 -6.913 -6.262 238 HZ PHE 38 HZ PHE 38 -3.350 -5.662 -4.330 239 H SER 39 H SER 39 2.484 -0.623 -5.791 240 HA SER 39 HA SER 39 4.296 0.057 -7.889 241 HB2 SER 39 2HB SER 39 4.098 0.517 -5.013 242 HB3 SER 39 1HB SER 39 5.768 0.298 -5.529 243 HG SER 39 HG SER 39 4.667 2.492 -5.672 244 H ARG 40 H ARG 40 6.723 -0.515 -7.785 245 HA ARG 40 HA ARG 40 6.970 -3.412 -7.921 246 HB2 ARG 40 2HB ARG 40 9.244 -1.419 -7.990 247 HB3 ARG 40 1HB ARG 40 9.170 -3.011 -8.746 248 HG2 ARG 40 2HG ARG 40 7.205 -2.111 -10.117 249 HG3 ARG 40 1HG ARG 40 7.664 -0.510 -9.533 250 HD2 ARG 40 2HD ARG 40 10.076 -1.602 -10.370 251 HD3 ARG 40 1HD ARG 40 8.928 -2.167 -11.585 252 HE ARG 40 HE ARG 40 9.009 0.029 -12.414 253 HH11 ARG 40 1HH1 ARG 40 11.102 0.602 -10.156 254 HH12 ARG 40 2HH1 ARG 40 10.419 2.046 -9.487 255 HH21 ARG 40 1HH2 ARG 40 7.351 1.637 -11.051 256 HH22 ARG 40 2HH2 ARG 40 8.296 2.632 -9.994 257 H ALA 41 H ALA 41 8.491 -4.681 -6.633 258 HA ALA 41 HA ALA 41 8.407 -4.006 -3.808 259 HB1 ALA 41 1HB ALA 41 8.524 -6.360 -5.017 260 HB2 ALA 41 2HB ALA 41 9.284 -6.133 -3.443 261 HB3 ALA 41 3HB ALA 41 10.262 -6.093 -4.909 262 H GLY 42 H GLY 42 10.491 -4.020 -2.487 263 HA2 GLY 42 2HA GLY 42 12.604 -3.077 -2.049 264 HA3 GLY 42 1HA GLY 42 12.946 -3.205 -3.778 265 H LYS 43 H LYS 43 10.004 -1.643 -2.850 266 HA LYS 43 HA LYS 43 11.172 0.922 -3.830 267 HB2 LYS 43 2HB LYS 43 9.227 0.992 -4.965 268 HB3 LYS 43 1HB LYS 43 8.590 -0.372 -4.061 269 HG2 LYS 43 2HG LYS 43 7.106 1.488 -3.666 270 HG3 LYS 43 1HG LYS 43 8.031 1.256 -2.189 271 HD2 LYS 43 2HD LYS 43 8.881 3.332 -2.341 272 HD3 LYS 43 1HD LYS 43 9.469 3.008 -3.973 273 HE2 LYS 43 2HE LYS 43 7.895 4.406 -4.762 274 HE3 LYS 43 1HE LYS 43 6.667 3.273 -4.198 275 HZ1 LYS 43 3HZ LYS 43 6.347 4.433 -2.268 276 HZ2 LYS 43 1HZ LYS 43 6.694 5.707 -3.333 277 HZ3 LYS 43 2HZ LYS 43 7.897 5.127 -2.282 278 H ILE 44 H ILE 44 11.638 2.537 -2.443 279 HA ILE 44 HA ILE 44 11.440 2.236 0.362 280 HB ILE 44 HB ILE 44 12.249 4.343 -1.511 281 HG12 ILE 44 2HG1 ILE 44 13.812 3.016 -0.193 282 HG13 ILE 44 1HG1 ILE 44 13.919 4.705 0.311 283 HG21 ILE 44 1HG2 ILE 44 10.676 5.824 -0.563 284 HG22 ILE 44 2HG2 ILE 44 12.118 6.089 0.418 285 HG23 ILE 44 3HG2 ILE 44 10.806 5.084 1.032 286 HD11 ILE 44 3HD1 ILE 44 13.472 4.039 2.416 287 HD12 ILE 44 1HD1 ILE 44 13.160 2.389 1.875 288 HD13 ILE 44 2HD1 ILE 44 11.860 3.581 1.870 289 H CYS 45 H CYS 45 9.364 1.655 0.994 290 HA CYS 45 HA CYS 45 7.036 3.214 0.181 291 HB2 CYS 45 2HB CYS 45 5.893 1.829 1.994 292 HB3 CYS 45 1HB CYS 45 6.624 0.899 0.685 293 H ARG 46 H ARG 46 9.128 2.955 2.992 294 HA ARG 46 HA ARG 46 8.414 5.661 3.834 295 HB2 ARG 46 2HB ARG 46 6.870 3.547 4.860 296 HB3 ARG 46 1HB ARG 46 8.018 3.942 6.140 297 HG2 ARG 46 2HG ARG 46 6.923 5.849 6.615 298 HG3 ARG 46 1HG ARG 46 7.001 6.364 4.930 299 HD2 ARG 46 2HD ARG 46 4.864 5.739 4.531 300 HD3 ARG 46 1HD ARG 46 5.076 4.198 5.364 301 HE ARG 46 HE ARG 46 4.699 5.481 7.509 302 HH11 ARG 46 1HH1 ARG 46 4.533 7.667 4.990 303 HH12 ARG 46 2HH1 ARG 46 2.983 8.316 5.412 304 HH21 ARG 46 1HH2 ARG 46 2.347 5.928 7.843 305 HH22 ARG 46 2HH2 ARG 46 1.745 7.332 7.026 306 H ILE 47 H ILE 47 10.269 6.529 4.647 307 HA ILE 47 HA ILE 47 12.655 5.008 4.955 308 HB ILE 47 HB ILE 47 12.249 7.610 4.697 309 HG12 ILE 47 2HG1 ILE 47 14.546 7.585 6.319 310 HG13 ILE 47 1HG1 ILE 47 14.439 5.961 5.636 311 HG21 ILE 47 1HG2 ILE 47 11.114 7.663 6.997 312 HG22 ILE 47 2HG2 ILE 47 12.368 8.871 6.715 313 HG23 ILE 47 3HG2 ILE 47 12.725 7.437 7.678 314 HD11 ILE 47 3HD1 ILE 47 13.868 8.139 3.726 315 HD12 ILE 47 1HD1 ILE 47 14.847 6.688 3.518 316 HD13 ILE 47 2HD1 ILE 47 15.526 8.100 4.326 317 H ALA 48 H ALA 48 13.656 4.136 6.797 318 HA ALA 48 HA ALA 48 11.874 3.338 8.943 319 HB1 ALA 48 1HB ALA 48 14.891 3.086 8.859 320 HB2 ALA 48 2HB ALA 48 13.797 1.959 8.056 321 HB3 ALA 48 3HB ALA 48 13.763 2.121 9.812 322 H ARG 49 H ARG 49 11.884 4.047 11.100 323 HA ARG 49 HA ARG 49 13.005 6.754 11.505 324 HB2 ARG 49 2HB ARG 49 11.240 5.076 13.316 325 HB3 ARG 49 1HB ARG 49 11.618 6.786 13.526 326 HG2 ARG 49 2HG ARG 49 10.123 5.559 11.189 327 HG3 ARG 49 1HG ARG 49 9.423 6.554 12.466 328 HD2 ARG 49 2HD ARG 49 11.376 8.221 11.652 329 HD3 ARG 49 1HD ARG 49 11.096 7.358 10.141 330 HE ARG 49 HE ARG 49 8.727 8.095 10.271 331 HH11 ARG 49 1HH2 ARG 49 11.128 10.231 10.969 332 HH12 ARG 49 2HH2 ARG 49 10.160 11.348 11.872 333 HH21 ARG 49 1HH1 ARG 49 7.414 9.235 12.047 334 HH22 ARG 49 2HH1 ARG 49 8.057 10.784 12.482 335 H GLY 50 H GLY 50 15.156 6.649 12.061 336 HA2 GLY 50 2HA GLY 50 16.280 6.248 14.428 337 HA3 GLY 50 1HA GLY 50 16.035 4.560 13.980 338 H ASP 51 H ASP 51 17.821 3.660 13.088 339 HA ASP 51 HA ASP 51 19.358 5.178 11.072 340 HB2 ASP 51 2HB ASP 51 20.247 4.849 13.795 341 HB3 ASP 51 1HB ASP 51 21.317 3.956 12.714 342 H TRP 52 H TRP 52 17.678 2.949 10.727 343 HA TRP 52 HA TRP 52 19.696 0.832 10.108 344 HB2 TRP 52 2HB TRP 52 17.437 -0.636 10.300 345 HB3 TRP 52 1HB TRP 52 18.510 -0.357 11.671 346 HD1 TRP 52 HD TRP 52 15.464 1.369 10.027 347 HE1 TRP 52 1HE TRP 52 14.004 2.380 11.896 348 HE3 TRP 52 3HE TRP 52 18.301 0.178 14.099 349 HZ2 TRP 52 2HZ TRP 52 14.037 2.648 14.741 350 HZ3 TRP 52 3HZ TRP 52 17.564 0.822 16.376 351 HH2 TRP 52 HH TRP 52 15.437 2.056 16.701 352 H ASN 53 H ASN 53 18.188 -0.822 8.540 353 HA ASN 53 HA ASN 53 18.150 0.501 6.030 354 HB2 ASN 53 2HB ASN 53 16.667 -2.012 6.862 355 HB3 ASN 53 1HB ASN 53 16.987 -1.514 5.201 356 HD21 ASN 53 1HD2 ASN 53 17.996 -3.980 6.449 357 HD22 ASN 53 2HD2 ASN 53 19.690 -3.873 6.443 358 H ASP 54 H ASP 54 16.431 1.278 4.748 359 HA ASP 54 HA ASP 54 14.175 2.404 6.245 360 HB2 ASP 54 2HB ASP 54 14.606 2.442 3.247 361 HB3 ASP 54 1HB ASP 54 13.647 3.564 4.212 362 H ASP 55 H ASP 55 11.943 2.191 4.964 363 HA ASP 55 HA ASP 55 11.354 -0.694 4.932 364 HB2 ASP 55 2HB ASP 55 9.482 1.650 4.483 365 HB3 ASP 55 1HB ASP 55 9.019 -0.014 4.846 366 H ARG 56 H ARG 56 10.800 -1.860 3.098 367 HA ARG 56 HA ARG 56 10.922 -0.382 0.492 368 HB2 ARG 56 2HB ARG 56 11.827 -3.222 1.049 369 HB3 ARG 56 1HB ARG 56 11.977 -2.349 -0.475 370 HG2 ARG 56 2HG ARG 56 13.117 -0.941 1.851 371 HG3 ARG 56 1HG ARG 56 13.933 -2.449 1.436 372 HD2 ARG 56 2HD ARG 56 14.420 -1.711 -0.764 373 HD3 ARG 56 1HD ARG 56 13.258 -0.389 -0.664 374 HE ARG 56 HE ARG 56 14.828 0.833 0.715 375 HH11 ARG 56 1HH2 ARG 56 15.818 -2.410 0.295 376 HH12 ARG 56 2HH2 ARG 56 17.513 -2.058 0.365 377 HH21 ARG 56 1HH1 ARG 56 17.059 1.376 0.535 378 HH22 ARG 56 2HH1 ARG 56 18.215 0.086 0.502 379 H CYS 57 H CYS 57 9.352 -0.819 -0.975 380 HA CYS 57 HA CYS 57 6.892 -1.999 -0.124 381 HB2 CYS 57 2HB CYS 57 7.887 -0.592 -2.380 382 HB3 CYS 57 1HB CYS 57 7.112 -2.054 -2.978 383 H THR 58 H THR 58 6.062 -4.038 -0.468 384 HA THR 58 HA THR 58 7.902 -6.226 -0.813 385 HB THR 58 HB THR 58 5.158 -7.012 -1.227 386 HG1 THR 58 1HG THR 58 4.541 -5.123 -0.276 387 HG21 THR 58 3HG2 THR 58 7.179 -7.293 1.004 388 HG22 THR 58 1HG2 THR 58 6.751 -8.490 -0.219 389 HG23 THR 58 2HG2 THR 58 5.594 -8.066 1.043 390 H GLY 59 H GLY 59 5.744 -4.511 -3.002 391 HA2 GLY 59 1HA GLY 59 6.442 -4.610 -5.407 392 HA3 GLY 59 2HA GLY 59 6.701 -6.335 -5.170 393 H GLN 60 H GLN 60 4.344 -6.923 -3.692 394 HA GLN 60 HA GLN 60 2.215 -6.286 -5.696 395 HB2 GLN 60 2HB GLN 60 1.427 -8.719 -4.933 396 HB3 GLN 60 1HB GLN 60 2.580 -8.499 -6.249 397 HG2 GLN 60 2HG GLN 60 4.445 -8.942 -4.807 398 HG3 GLN 60 1HG GLN 60 3.431 -8.860 -3.366 399 HE21 GLN 60 1HE2 GLN 60 3.047 -10.616 -6.504 400 HE22 GLN 60 2HE2 GLN 60 2.810 -12.136 -5.785 401 H SER 61 H SER 61 3.142 -6.024 -2.510 402 HA SER 61 HA SER 61 0.403 -6.396 -1.429 403 HB2 SER 61 2HB SER 61 1.670 -7.115 0.308 404 HB3 SER 61 1HB SER 61 3.118 -6.333 -0.317 405 HG SER 61 HG SER 61 2.762 -4.998 1.276 406 H ALA 62 H ALA 62 -0.962 -4.683 -1.543 407 HA ALA 62 HA ALA 62 -0.362 -2.100 -2.395 408 HB1 ALA 62 1HB ALA 62 -2.369 -1.516 -0.703 409 HB2 ALA 62 2HB ALA 62 -2.534 -3.272 -0.726 410 HB3 ALA 62 3HB ALA 62 -2.637 -2.356 -2.225 411 H ASP 63 H ASP 63 -0.374 -3.303 0.966 412 HA ASP 63 HA ASP 63 0.644 -0.734 1.954 413 HB2 ASP 63 2HB ASP 63 0.520 -3.356 3.463 414 HB3 ASP 63 1HB ASP 63 0.545 -1.723 4.131 415 H CYS 64 H CYS 64 2.623 -1.315 3.693 416 HA CYS 64 HA CYS 64 4.681 -2.775 2.096 417 HB2 CYS 64 2HB CYS 64 5.081 -0.429 1.691 418 HB3 CYS 64 1HB CYS 64 4.945 -0.059 3.409 419 HA PRO 65 HA PRO 65 5.334 -4.740 5.952 420 HB2 PRO 65 2HB PRO 65 7.475 -6.215 5.100 421 HB3 PRO 65 1HB PRO 65 5.803 -6.634 4.729 422 HG2 PRO 65 2HG PRO 65 7.907 -5.486 2.967 423 HG3 PRO 65 1HG PRO 65 6.476 -6.437 2.533 424 HD2 PRO 65 2HD PRO 65 6.748 -3.631 2.290 425 HD3 PRO 65 1HD PRO 65 5.237 -4.557 2.160 426 H ARG 66 H ARG 66 6.691 -4.366 7.725 427 HA ARG 66 HA ARG 66 9.154 -2.751 7.193 428 HB2 ARG 66 2HB ARG 66 7.849 -2.554 9.858 429 HB3 ARG 66 1HB ARG 66 8.643 -1.306 8.901 430 HG2 ARG 66 2HG ARG 66 6.618 -1.532 7.298 431 HG3 ARG 66 1HG ARG 66 5.831 -2.359 8.643 432 HD2 ARG 66 2HD ARG 66 6.391 -0.376 10.092 433 HD3 ARG 66 1HD ARG 66 6.954 0.455 8.642 434 HE ARG 66 HE ARG 66 4.694 0.936 8.234 435 HH11 ARG 66 1HH1 ARG 66 4.150 -0.410 11.010 436 HH12 ARG 66 2HH1 ARG 66 2.847 -1.464 10.569 437 HH21 ARG 66 1HH2 ARG 66 3.390 -1.141 7.159 438 HH22 ARG 66 2HH2 ARG 66 2.417 -1.879 8.388 439 H ASN 67 H ASN 67 10.764 -2.961 9.054 440 HA ASN 67 HA ASN 67 11.225 -5.799 9.558 441 HB2 ASN 67 2HB ASN 67 12.698 -3.275 10.362 442 HB3 ASN 67 1HB ASN 67 13.241 -4.890 10.820 443 HD21 ASN 67 1HD2 ASN 67 13.727 -2.549 8.504 444 HD22 ASN 67 2HD2 ASN 67 14.235 -3.531 7.216 445 HA PRO 68 HA PRO 68 9.501 -5.992 13.598 446 HB2 PRO 68 2HB PRO 68 11.199 -7.805 14.772 447 HB3 PRO 68 1HB PRO 68 9.982 -8.252 13.564 448 HG2 PRO 68 2HG PRO 68 12.937 -8.016 13.251 449 HG3 PRO 68 1HG PRO 68 11.792 -9.027 12.356 450 HD2 PRO 68 2HD PRO 68 12.917 -6.601 11.442 451 HD3 PRO 68 1HD PRO 68 11.525 -7.437 10.722 452 H TRP 69 H TRP 69 11.001 -3.679 13.386 453 HA TRP 69 HA TRP 69 12.415 -3.618 16.009 454 HB2 TRP 69 2HB TRP 69 13.341 -2.292 13.438 455 HB3 TRP 69 1HB TRP 69 14.125 -2.141 15.011 456 HD1 TRP 69 HD TRP 69 14.638 -3.926 11.987 457 HE1 TRP 69 1HE TRP 69 15.816 -6.190 12.358 458 HE3 TRP 69 3HE TRP 69 13.905 -4.466 16.988 459 HZ2 TRP 69 2HZ TRP 69 16.371 -7.998 14.513 460 HZ3 TRP 69 3HZ TRP 69 14.760 -6.464 18.190 461 HH2 TRP 69 HH TRP 69 15.989 -8.231 16.956 462 H ASN 70 H ASN 70 12.165 -0.955 13.731 463 HA ASN 70 HA ASN 70 10.709 0.616 15.738 464 HB2 ASN 70 2HB ASN 70 11.105 2.495 14.302 465 HB3 ASN 70 1HB ASN 70 12.579 1.527 14.265 466 HD21 ASN 70 1HD2 ASN 70 12.869 0.077 12.329 467 HD22 ASN 70 2HD2 ASN 70 12.122 0.496 10.864 468 H GLY 71 H GLY 71 8.520 0.763 15.784 469 HA2 GLY 71 2HA GLY 71 6.991 0.577 13.258 470 HA3 GLY 71 1HA GLY 71 6.632 -0.635 14.488 Start of MODEL 5 1 H GLY 1 1HT GLY 1 -14.428 -12.619 -0.659 2 HA2 GLY 1 1HA GLY 1 -14.699 -12.410 1.516 3 HA3 GLY 1 2HA GLY 1 -12.954 -12.484 1.759 4 H LYS 2 H LYS 2 -12.098 -10.234 0.385 5 HA LYS 2 HA LYS 2 -12.906 -8.121 2.234 6 HB2 LYS 2 2HB LYS 2 -10.859 -8.447 0.082 7 HB3 LYS 2 1HB LYS 2 -11.340 -6.804 0.509 8 HG2 LYS 2 2HG LYS 2 -10.990 -7.623 2.972 9 HG3 LYS 2 1HG LYS 2 -10.021 -8.891 2.224 10 HD2 LYS 2 2HD LYS 2 -9.143 -6.616 0.923 11 HD3 LYS 2 1HD LYS 2 -9.413 -6.043 2.570 12 HE2 LYS 2 2HE LYS 2 -7.217 -6.844 2.688 13 HE3 LYS 2 1HE LYS 2 -8.147 -8.230 3.259 14 HZ1 LYS 2 3HZ LYS 2 -7.695 -9.409 1.416 15 HZ2 LYS 2 1HZ LYS 2 -6.361 -8.369 1.297 16 HZ3 LYS 2 2HZ LYS 2 -7.760 -8.058 0.387 17 H GLU 3 H GLU 3 -14.480 -6.626 1.855 18 HA GLU 3 HA GLU 3 -15.567 -6.445 -0.926 19 HB2 GLU 3 2HB GLU 3 -16.859 -6.900 1.552 20 HB3 GLU 3 1HB GLU 3 -17.292 -5.262 1.062 21 HG2 GLU 3 2HG GLU 3 -17.596 -6.485 -1.309 22 HG3 GLU 3 1HG GLU 3 -17.921 -7.861 -0.254 23 H CYS 4 H CYS 4 -13.400 -4.877 0.812 24 HA CYS 4 HA CYS 4 -14.224 -2.249 -0.296 25 HB2 CYS 4 2HB CYS 4 -13.733 -2.901 2.574 26 HB3 CYS 4 1HB CYS 4 -13.119 -1.360 1.975 27 H ASP 5 H ASP 5 -12.550 -1.490 -1.501 28 HA ASP 5 HA ASP 5 -9.827 -2.565 -0.951 29 HB2 ASP 5 2HB ASP 5 -11.205 -2.320 -3.323 30 HB3 ASP 5 1HB ASP 5 -10.195 -0.874 -3.332 31 H CYS 6 H CYS 6 -11.732 0.228 -0.541 32 HA CYS 6 HA CYS 6 -9.268 1.799 0.075 33 HB2 CYS 6 2HB CYS 6 -10.353 3.816 -0.796 34 HB3 CYS 6 1HB CYS 6 -10.278 2.588 -2.059 35 H SER 7 H SER 7 -9.788 3.636 1.618 36 HA SER 7 HA SER 7 -11.787 2.675 3.607 37 HB2 SER 7 2HB SER 7 -9.292 4.354 3.809 38 HB3 SER 7 1HB SER 7 -10.499 4.371 5.093 39 HG SER 7 HG SER 7 -10.262 2.104 5.229 40 H SER 8 H SER 8 -11.069 5.287 1.437 41 HA SER 8 HA SER 8 -13.206 6.939 2.702 42 HB2 SER 8 2HB SER 8 -10.945 7.618 0.816 43 HB3 SER 8 1HB SER 8 -12.285 8.725 1.104 44 HG SER 8 HG SER 8 -10.131 8.203 2.634 45 HA PRO 9 HA PRO 9 -15.778 5.838 -0.722 46 HB2 PRO 9 2HB PRO 9 -17.761 7.677 -0.241 47 HB3 PRO 9 1HB PRO 9 -17.561 6.188 0.699 48 HG2 PRO 9 2HG PRO 9 -16.924 8.993 1.477 49 HG3 PRO 9 1HG PRO 9 -17.319 7.607 2.505 50 HD2 PRO 9 2HD PRO 9 -14.722 8.653 2.034 51 HD3 PRO 9 1HD PRO 9 -15.106 7.105 2.816 52 H GLU 10 H GLU 10 -14.925 9.235 -0.120 53 HA GLU 10 HA GLU 10 -15.739 10.264 -2.664 54 HB2 GLU 10 2HB GLU 10 -13.410 11.276 -1.012 55 HB3 GLU 10 1HB GLU 10 -14.426 12.198 -2.123 56 HG2 GLU 10 2HG GLU 10 -16.004 10.847 -0.076 57 HG3 GLU 10 1HG GLU 10 -14.817 11.946 0.627 58 H ASN 11 H ASN 11 -13.228 8.140 -1.796 59 HA ASN 11 HA ASN 11 -11.289 8.871 -3.805 60 HB2 ASN 11 2HB ASN 11 -10.781 7.456 -1.806 61 HB3 ASN 11 1HB ASN 11 -11.754 6.167 -2.515 62 HD21 ASN 11 1HD2 ASN 11 -9.066 5.600 -2.057 63 HD22 ASN 11 2HD2 ASN 11 -8.218 5.553 -3.528 64 HA PRO 12 HA PRO 12 -13.792 7.235 -7.136 65 HB2 PRO 12 2HB PRO 12 -12.096 8.062 -9.138 66 HB3 PRO 12 1HB PRO 12 -13.263 9.128 -8.334 67 HG2 PRO 12 2HG PRO 12 -10.301 8.996 -8.002 68 HG3 PRO 12 1HG PRO 12 -11.398 10.365 -7.759 69 HD2 PRO 12 2HD PRO 12 -10.281 8.762 -5.715 70 HD3 PRO 12 1HD PRO 12 -11.633 9.898 -5.526 71 H CYS 13 H CYS 13 -10.315 6.659 -6.719 72 HA CYS 13 HA CYS 13 -9.869 4.643 -8.609 73 HB2 CYS 13 2HB CYS 13 -8.261 5.682 -6.833 74 HB3 CYS 13 1HB CYS 13 -8.818 4.365 -5.799 75 H CYS 14 H CYS 14 -11.843 4.559 -5.752 76 HA CYS 14 HA CYS 14 -12.360 1.658 -6.268 77 HB2 CYS 14 2HB CYS 14 -12.694 1.306 -3.909 78 HB3 CYS 14 1HB CYS 14 -11.153 2.141 -4.096 79 H ASP 15 H ASP 15 -14.411 1.233 -6.811 80 HA ASP 15 HA ASP 15 -16.388 3.291 -7.054 81 HB2 ASP 15 2HB ASP 15 -16.105 0.849 -8.142 82 HB3 ASP 15 1HB ASP 15 -17.245 0.451 -6.862 83 H ALA 16 H ALA 16 -17.988 3.929 -5.645 84 HA ALA 16 HA ALA 16 -17.767 3.146 -2.859 85 HB1 ALA 16 1HB ALA 16 -19.593 4.715 -2.483 86 HB2 ALA 16 2HB ALA 16 -19.956 4.753 -4.209 87 HB3 ALA 16 3HB ALA 16 -18.444 5.436 -3.611 88 H ALA 17 H ALA 17 -20.112 2.503 -5.461 89 HA ALA 17 HA ALA 17 -22.112 1.190 -4.010 90 HB1 ALA 17 1HB ALA 17 -22.027 1.633 -6.529 91 HB2 ALA 17 2HB ALA 17 -22.712 0.083 -6.043 92 HB3 ALA 17 3HB ALA 17 -21.060 0.163 -6.655 93 H THR 18 H THR 18 -19.075 -0.191 -5.282 94 HA THR 18 HA THR 18 -19.589 -2.629 -3.648 95 HB THR 18 HB THR 18 -19.037 -3.202 -5.906 96 HG1 THR 18 1HG THR 18 -17.836 -4.267 -4.180 97 HG21 THR 18 3HG2 THR 18 -16.613 -2.268 -6.625 98 HG22 THR 18 1HG2 THR 18 -17.149 -0.930 -5.608 99 HG23 THR 18 2HG2 THR 18 -18.112 -1.419 -7.003 100 H CYS 19 H CYS 19 -17.916 0.303 -3.543 101 HA CYS 19 HA CYS 19 -16.286 1.116 -2.059 102 HB2 CYS 19 2HB CYS 19 -17.718 0.012 -0.370 103 HB3 CYS 19 1HB CYS 19 -16.872 -1.507 -0.649 104 H LYS 20 H LYS 20 -15.681 -0.917 -4.319 105 HA LYS 20 HA LYS 20 -12.934 -1.584 -3.333 106 HB2 LYS 20 2HB LYS 20 -14.643 -3.225 -5.222 107 HB3 LYS 20 1HB LYS 20 -13.002 -3.620 -4.711 108 HG2 LYS 20 2HG LYS 20 -14.647 -3.087 -2.399 109 HG3 LYS 20 1HG LYS 20 -15.412 -4.313 -3.409 110 HD2 LYS 20 2HD LYS 20 -12.478 -4.565 -2.940 111 HD3 LYS 20 1HD LYS 20 -13.553 -4.952 -1.596 112 HE2 LYS 20 2HE LYS 20 -14.629 -6.676 -2.796 113 HE3 LYS 20 1HE LYS 20 -14.042 -6.080 -4.349 114 HZ1 LYS 20 3HZ LYS 20 -12.586 -7.555 -2.259 115 HZ2 LYS 20 1HZ LYS 20 -11.737 -6.549 -3.329 116 HZ3 LYS 20 2HZ LYS 20 -12.653 -7.848 -3.931 117 H LEU 21 H LEU 21 -11.489 -2.104 -5.363 118 HA LEU 21 HA LEU 21 -11.286 0.298 -6.905 119 HB2 LEU 21 2HB LEU 21 -10.019 -2.433 -7.161 120 HB3 LEU 21 1HB LEU 21 -9.653 -1.124 -8.285 121 HG LEU 21 HG LEU 21 -9.537 -0.376 -5.427 122 HD11 LEU 21 1HD1 LEU 21 -8.540 -2.802 -5.772 123 HD12 LEU 21 2HD1 LEU 21 -7.665 -1.607 -4.814 124 HD13 LEU 21 3HD1 LEU 21 -7.193 -1.915 -6.484 125 HD21 LEU 21 3HD2 LEU 21 -8.711 1.303 -6.777 126 HD22 LEU 21 1HD2 LEU 21 -8.134 0.175 -8.004 127 HD23 LEU 21 2HD2 LEU 21 -7.213 0.410 -6.519 128 H ARG 22 H ARG 22 -12.346 0.874 -8.734 129 HA ARG 22 HA ARG 22 -14.250 -0.993 -9.939 130 HB2 ARG 22 2HB ARG 22 -14.063 1.788 -9.709 131 HB3 ARG 22 1HB ARG 22 -13.839 1.470 -11.429 132 HG2 ARG 22 2HG ARG 22 -15.943 -0.213 -10.403 133 HG3 ARG 22 1HG ARG 22 -16.275 1.468 -9.986 134 HD2 ARG 22 2HD ARG 22 -15.799 2.068 -12.394 135 HD3 ARG 22 1HD ARG 22 -15.733 0.341 -12.745 136 HE ARG 22 HE ARG 22 -18.124 0.230 -11.979 137 HH11 ARG 22 1HH2 ARG 22 -17.453 2.210 -14.363 138 HH12 ARG 22 2HH2 ARG 22 -18.610 3.450 -14.016 139 HH21 ARG 22 1HH1 ARG 22 -19.296 2.283 -10.824 140 HH22 ARG 22 2HH1 ARG 22 -19.654 3.492 -12.012 141 HA PRO 23 HA PRO 23 -11.341 -0.497 -13.690 142 HB2 PRO 23 2HB PRO 23 -9.012 0.915 -13.330 143 HB3 PRO 23 1HB PRO 23 -10.538 1.656 -13.842 144 HG2 PRO 23 2HG PRO 23 -9.192 1.782 -11.187 145 HG3 PRO 23 1HG PRO 23 -10.317 2.930 -11.929 146 HD2 PRO 23 2HD PRO 23 -10.952 1.024 -9.928 147 HD3 PRO 23 1HD PRO 23 -12.115 1.967 -10.885 148 H GLY 24 H GLY 24 -8.560 -0.825 -13.947 149 HA2 GLY 24 2HA GLY 24 -8.182 -3.351 -12.464 150 HA3 GLY 24 1HA GLY 24 -7.194 -2.785 -13.811 151 H ALA 25 H ALA 25 -7.921 -0.571 -11.236 152 HA ALA 25 HA ALA 25 -5.115 -0.172 -10.662 153 HB1 ALA 25 1HB ALA 25 -6.188 1.780 -10.153 154 HB2 ALA 25 2HB ALA 25 -6.394 1.028 -8.572 155 HB3 ALA 25 3HB ALA 25 -7.699 0.962 -9.757 156 H GLN 26 H GLN 26 -3.884 -1.043 -9.002 157 HA GLN 26 HA GLN 26 -4.867 -3.426 -7.688 158 HB2 GLN 26 2HB GLN 26 -2.332 -1.804 -7.473 159 HB3 GLN 26 1HB GLN 26 -2.637 -3.175 -6.408 160 HG2 GLN 26 2HG GLN 26 -3.104 -3.637 -9.305 161 HG3 GLN 26 1HG GLN 26 -1.423 -3.437 -8.806 162 HE21 GLN 26 1HE2 GLN 26 -0.836 -5.681 -9.019 163 HE22 GLN 26 2HE2 GLN 26 -1.483 -6.888 -8.016 164 H CYS 27 H CYS 27 -4.245 -0.087 -6.608 165 HA CYS 27 HA CYS 27 -6.064 -0.580 -4.341 166 HB2 CYS 27 2HB CYS 27 -4.474 -0.730 -2.753 167 HB3 CYS 27 1HB CYS 27 -3.253 -0.739 -4.015 168 H GLY 28 H GLY 28 -6.684 1.468 -3.273 169 HA2 GLY 28 2HA GLY 28 -6.550 3.730 -5.206 170 HA3 GLY 28 1HA GLY 28 -7.811 3.515 -3.996 171 H GLU 29 H GLU 29 -5.670 2.722 -2.013 172 HA GLU 29 HA GLU 29 -4.209 5.269 -1.680 173 HB2 GLU 29 2HB GLU 29 -5.160 5.805 0.413 174 HB3 GLU 29 1HB GLU 29 -6.539 5.397 -0.598 175 HG2 GLU 29 2HG GLU 29 -7.078 4.050 1.169 176 HG3 GLU 29 1HG GLU 29 -5.957 2.943 0.377 177 H GLY 30 H GLY 30 -2.270 4.969 -0.581 178 HA2 GLY 30 2HA GLY 30 -1.560 3.163 1.371 179 HA3 GLY 30 1HA GLY 30 -1.445 2.207 -0.106 180 H LEU 31 H LEU 31 0.874 2.544 1.248 181 HA LEU 31 HA LEU 31 2.319 4.913 0.294 182 HB2 LEU 31 2HB LEU 31 2.845 2.643 2.114 183 HB3 LEU 31 1HB LEU 31 4.252 3.213 1.219 184 HG LEU 31 HG LEU 31 3.924 4.387 3.412 185 HD11 LEU 31 1HD1 LEU 31 4.827 5.391 1.097 186 HD12 LEU 31 2HD1 LEU 31 4.696 6.381 2.551 187 HD13 LEU 31 3HD1 LEU 31 3.439 6.455 1.316 188 HD21 LEU 31 3HD2 LEU 31 1.544 4.474 3.603 189 HD22 LEU 31 1HD2 LEU 31 1.372 5.228 2.018 190 HD23 LEU 31 2HD2 LEU 31 2.059 6.144 3.360 191 H CYS 32 H CYS 32 2.332 1.414 -0.386 192 HA CYS 32 HA CYS 32 4.226 1.813 -2.616 193 HB2 CYS 32 2HB CYS 32 4.299 -0.194 -1.068 194 HB3 CYS 32 1HB CYS 32 2.791 -0.728 -1.806 195 H CYS 33 H CYS 33 1.639 3.108 -2.843 196 HA CYS 33 HA CYS 33 0.429 1.490 -5.043 197 HB2 CYS 33 2HB CYS 33 -0.763 3.526 -3.160 198 HB3 CYS 33 1HB CYS 33 -1.588 3.014 -4.632 199 H GLU 34 H GLU 34 1.747 2.267 -6.729 200 HA GLU 34 HA GLU 34 1.917 5.196 -7.140 201 HB2 GLU 34 2HB GLU 34 3.804 3.345 -7.530 202 HB3 GLU 34 1HB GLU 34 3.022 3.232 -9.108 203 HG2 GLU 34 2HG GLU 34 3.345 6.003 -8.343 204 HG3 GLU 34 1HG GLU 34 4.896 5.165 -8.286 205 H GLN 35 H GLN 35 0.224 6.101 -8.205 206 HA GLN 35 HA GLN 35 -1.487 6.380 -9.785 207 HB2 GLN 35 2HB GLN 35 0.627 5.106 -11.139 208 HB3 GLN 35 1HB GLN 35 -0.818 4.192 -11.568 209 HG2 GLN 35 2HG GLN 35 -0.571 7.209 -11.755 210 HG3 GLN 35 1HG GLN 35 -0.410 6.102 -13.119 211 HE21 GLN 35 1HE2 GLN 35 -2.328 6.531 -14.286 212 HE22 GLN 35 2HE2 GLN 35 -3.887 6.388 -13.628 213 H CYS 36 H CYS 36 -1.889 4.681 -7.530 214 HA CYS 36 HA CYS 36 -3.505 3.182 -6.734 215 HB2 CYS 36 2HB CYS 36 -4.501 3.880 -9.459 216 HB3 CYS 36 1HB CYS 36 -5.169 2.441 -8.698 217 H LYS 37 H LYS 37 -0.949 2.328 -8.149 218 HA LYS 37 HA LYS 37 -1.809 -0.489 -8.674 219 HB2 LYS 37 2HB LYS 37 0.298 1.167 -10.082 220 HB3 LYS 37 1HB LYS 37 0.211 -0.590 -10.220 221 HG2 LYS 37 2HG LYS 37 -2.418 0.375 -10.643 222 HG3 LYS 37 1HG LYS 37 -1.350 1.400 -11.602 223 HD2 LYS 37 2HD LYS 37 -0.269 -1.027 -12.136 224 HD3 LYS 37 1HD LYS 37 -1.954 -1.489 -11.889 225 HE2 LYS 37 2HE LYS 37 -2.631 -0.483 -13.805 226 HE3 LYS 37 1HE LYS 37 -1.625 0.937 -13.517 227 HZ1 LYS 37 3HZ LYS 37 -0.281 0.150 -15.075 228 HZ2 LYS 37 1HZ LYS 37 -1.110 -1.325 -15.157 229 HZ3 LYS 37 2HZ LYS 37 0.132 -1.113 -14.018 230 H PHE 38 H PHE 38 -0.169 -2.110 -8.079 231 HA PHE 38 HA PHE 38 1.201 -1.397 -5.599 232 HB2 PHE 38 2HB PHE 38 1.115 -3.946 -7.237 233 HB3 PHE 38 1HB PHE 38 2.006 -3.798 -5.728 234 HD1 PHE 38 2HD PHE 38 -0.310 -1.743 -4.701 235 HD2 PHE 38 1HD PHE 38 -0.190 -5.787 -6.151 236 HE1 PHE 38 2HE PHE 38 -2.370 -2.262 -3.432 237 HE2 PHE 38 1HE PHE 38 -2.252 -6.302 -4.879 238 HZ PHE 38 HZ PHE 38 -3.344 -4.540 -3.519 239 H SER 39 H SER 39 3.128 -0.338 -5.684 240 HA SER 39 HA SER 39 4.777 -0.180 -8.006 241 HB2 SER 39 2HB SER 39 6.128 0.036 -5.374 242 HB3 SER 39 1HB SER 39 6.123 1.159 -6.731 243 HG SER 39 HG SER 39 4.922 2.097 -5.136 244 H ARG 40 H ARG 40 7.330 -0.905 -7.405 245 HA ARG 40 HA ARG 40 7.148 -3.842 -7.507 246 HB2 ARG 40 2HB ARG 40 9.336 -1.823 -7.976 247 HB3 ARG 40 1HB ARG 40 9.730 -3.530 -7.775 248 HG2 ARG 40 2HG ARG 40 7.885 -3.938 -9.560 249 HG3 ARG 40 1HG ARG 40 8.076 -2.224 -9.927 250 HD2 ARG 40 2HD ARG 40 10.016 -4.471 -10.303 251 HD3 ARG 40 1HD ARG 40 9.648 -3.119 -11.374 252 HE ARG 40 HE ARG 40 10.829 -1.867 -9.238 253 HH11 ARG 40 1HH2 ARG 40 12.083 -4.685 -8.912 254 HH12 ARG 40 2HH2 ARG 40 13.590 -4.447 -9.732 255 HH21 ARG 40 1HH1 ARG 40 12.589 -1.507 -11.273 256 HH22 ARG 40 2HH1 ARG 40 13.877 -2.646 -11.068 257 H ALA 41 H ALA 41 8.441 -5.205 -6.068 258 HA ALA 41 HA ALA 41 8.311 -4.367 -3.304 259 HB1 ALA 41 1HB ALA 41 8.250 -6.788 -4.375 260 HB2 ALA 41 2HB ALA 41 8.962 -6.548 -2.780 261 HB3 ALA 41 3HB ALA 41 10.001 -6.684 -4.196 262 H GLY 42 H GLY 42 10.320 -4.452 -1.873 263 HA2 GLY 42 2HA GLY 42 12.501 -3.692 -1.392 264 HA3 GLY 42 1HA GLY 42 12.904 -3.977 -3.088 265 H LYS 43 H LYS 43 10.123 -2.074 -2.254 266 HA LYS 43 HA LYS 43 11.540 0.341 -3.346 267 HB2 LYS 43 2HB LYS 43 9.692 -0.155 -4.734 268 HB3 LYS 43 1HB LYS 43 8.659 -0.554 -3.367 269 HG2 LYS 43 2HG LYS 43 7.895 1.559 -3.337 270 HG3 LYS 43 1HG LYS 43 9.526 2.148 -3.027 271 HD2 LYS 43 2HD LYS 43 9.430 1.430 -5.769 272 HD3 LYS 43 1HD LYS 43 7.972 2.363 -5.437 273 HE2 LYS 43 2HE LYS 43 9.163 4.263 -4.816 274 HE3 LYS 43 1HE LYS 43 10.597 3.340 -4.363 275 HZ1 LYS 43 3HZ LYS 43 11.187 4.313 -6.362 276 HZ2 LYS 43 1HZ LYS 43 9.655 4.088 -7.055 277 HZ3 LYS 43 2HZ LYS 43 10.692 2.760 -6.841 278 H ILE 44 H ILE 44 12.119 1.812 -1.811 279 HA ILE 44 HA ILE 44 11.377 1.769 0.896 280 HB ILE 44 HB ILE 44 13.226 3.157 0.069 281 HG12 ILE 44 2HG1 ILE 44 12.433 5.383 1.192 282 HG13 ILE 44 1HG1 ILE 44 10.955 4.485 1.541 283 HG21 ILE 44 1HG2 ILE 44 12.982 4.801 -1.501 284 HG22 ILE 44 2HG2 ILE 44 11.397 5.285 -0.895 285 HG23 ILE 44 3HG2 ILE 44 11.548 3.868 -1.935 286 HD11 ILE 44 3HD1 ILE 44 12.035 2.990 2.957 287 HD12 ILE 44 1HD1 ILE 44 12.956 4.462 3.264 288 HD13 ILE 44 2HD1 ILE 44 13.602 3.228 2.182 289 H CYS 45 H CYS 45 9.205 1.559 1.358 290 HA CYS 45 HA CYS 45 7.412 3.709 0.324 291 HB2 CYS 45 2HB CYS 45 5.619 1.900 1.125 292 HB3 CYS 45 1HB CYS 45 6.321 1.863 -0.485 293 H ARG 46 H ARG 46 9.107 2.810 2.986 294 HA ARG 46 HA ARG 46 7.568 4.606 4.668 295 HB2 ARG 46 2HB ARG 46 7.332 1.668 4.998 296 HB3 ARG 46 1HB ARG 46 7.609 2.588 6.476 297 HG2 ARG 46 2HG ARG 46 5.724 4.138 5.677 298 HG3 ARG 46 1HG ARG 46 5.342 2.882 4.499 299 HD2 ARG 46 2HD ARG 46 4.015 2.099 6.189 300 HD3 ARG 46 1HD ARG 46 5.524 1.373 6.743 301 HE ARG 46 HE ARG 46 5.331 4.019 7.805 302 HH11 ARG 46 1HH1 ARG 46 2.543 2.615 8.047 303 HH12 ARG 46 2HH1 ARG 46 2.649 2.037 9.676 304 HH21 ARG 46 1HH2 ARG 46 6.074 2.533 9.906 305 HH22 ARG 46 2HH2 ARG 46 4.650 1.990 10.728 306 H ILE 47 H ILE 47 8.905 5.516 6.205 307 HA ILE 47 HA ILE 47 11.707 4.513 6.228 308 HB ILE 47 HB ILE 47 11.101 6.946 5.655 309 HG12 ILE 47 2HG1 ILE 47 12.921 7.070 7.985 310 HG13 ILE 47 1HG1 ILE 47 13.317 5.831 6.794 311 HG21 ILE 47 1HG2 ILE 47 9.478 6.981 7.690 312 HG22 ILE 47 2HG2 ILE 47 10.461 8.411 7.378 313 HG23 ILE 47 3HG2 ILE 47 10.932 7.277 8.643 314 HD11 ILE 47 3HD1 ILE 47 13.094 8.813 6.386 315 HD12 ILE 47 1HD1 ILE 47 13.009 7.689 5.030 316 HD13 ILE 47 2HD1 ILE 47 14.461 7.759 6.028 317 H ALA 48 H ALA 48 12.800 4.216 8.263 318 HA ALA 48 HA ALA 48 10.916 3.803 10.550 319 HB1 ALA 48 1HB ALA 48 11.822 1.687 9.833 320 HB2 ALA 48 2HB ALA 48 12.635 2.124 11.335 321 HB3 ALA 48 3HB ALA 48 13.459 2.342 9.791 322 H ARG 49 H ARG 49 11.299 5.013 12.340 323 HA ARG 49 HA ARG 49 13.591 6.839 12.370 324 HB2 ARG 49 2HB ARG 49 11.205 6.392 14.160 325 HB3 ARG 49 1HB ARG 49 12.530 7.443 14.662 326 HG2 ARG 49 2HG ARG 49 11.953 8.163 11.998 327 HG3 ARG 49 1HG ARG 49 10.389 7.992 12.798 328 HD2 ARG 49 2HD ARG 49 12.345 9.356 14.484 329 HD3 ARG 49 1HD ARG 49 12.067 10.205 12.963 330 HE ARG 49 HE ARG 49 9.624 9.363 14.362 331 HH11 ARG 49 1HH2 ARG 49 10.848 11.203 16.275 332 HH12 ARG 49 2HH2 ARG 49 10.355 12.764 15.708 333 HH21 ARG 49 1HH1 ARG 49 9.480 11.632 12.550 334 HH22 ARG 49 2HH1 ARG 49 9.581 13.006 13.599 335 H GLY 50 H GLY 50 15.486 6.466 13.434 336 HA2 GLY 50 2HA GLY 50 16.262 5.536 15.758 337 HA3 GLY 50 1HA GLY 50 15.653 4.015 15.119 338 H ASP 51 H ASP 51 16.512 3.701 12.734 339 HA ASP 51 HA ASP 51 18.843 4.631 11.652 340 HB2 ASP 51 2HB ASP 51 20.573 3.002 12.682 341 HB3 ASP 51 1HB ASP 51 20.151 4.442 13.609 342 H TRP 52 H TRP 52 17.523 1.576 12.835 343 HA TRP 52 HA TRP 52 18.471 -0.281 11.048 344 HB2 TRP 52 2HB TRP 52 15.874 -1.037 11.005 345 HB3 TRP 52 1HB TRP 52 16.923 -1.297 12.397 346 HD1 TRP 52 HD TRP 52 14.419 1.314 11.063 347 HE1 TRP 52 1HE TRP 52 13.304 2.471 13.080 348 HE3 TRP 52 3HE TRP 52 17.012 -0.877 14.872 349 HZ2 TRP 52 2HZ TRP 52 13.494 2.467 15.937 350 HZ3 TRP 52 3HZ TRP 52 16.529 -0.283 17.228 351 HH2 TRP 52 HH TRP 52 14.775 1.385 17.766 352 H ASN 53 H ASN 53 17.538 -1.145 9.002 353 HA ASN 53 HA ASN 53 17.493 0.759 6.935 354 HB2 ASN 53 2HB ASN 53 16.810 -2.102 7.203 355 HB3 ASN 53 1HB ASN 53 16.033 -1.279 5.851 356 HD21 ASN 53 1HD2 ASN 53 19.220 -0.374 7.164 357 HD22 ASN 53 2HD2 ASN 53 20.100 -0.812 5.780 358 H ASP 54 H ASP 54 15.758 1.572 5.624 359 HA ASP 54 HA ASP 54 13.452 2.465 7.112 360 HB2 ASP 54 2HB ASP 54 13.848 2.465 4.107 361 HB3 ASP 54 1HB ASP 54 12.775 3.515 5.034 362 H ASP 55 H ASP 55 11.749 1.929 4.522 363 HA ASP 55 HA ASP 55 11.122 -0.935 5.093 364 HB2 ASP 55 2HB ASP 55 9.127 1.338 4.887 365 HB3 ASP 55 1HB ASP 55 8.704 -0.368 5.009 366 H ARG 56 H ARG 56 11.104 -2.054 3.207 367 HA ARG 56 HA ARG 56 10.826 -0.513 0.672 368 HB2 ARG 56 2HB ARG 56 11.764 -3.368 0.952 369 HB3 ARG 56 1HB ARG 56 12.039 -2.253 -0.385 370 HG2 ARG 56 2HG ARG 56 13.023 -1.424 2.307 371 HG3 ARG 56 1HG ARG 56 13.912 -2.698 1.473 372 HD2 ARG 56 2HD ARG 56 14.527 -1.306 -0.286 373 HD3 ARG 56 1HD ARG 56 13.158 -0.222 -0.042 374 HE ARG 56 HE ARG 56 14.618 0.135 2.257 375 HH11 ARG 56 1HH1 ARG 56 14.576 1.416 -0.777 376 HH12 ARG 56 2HH1 ARG 56 16.213 1.982 -0.785 377 HH21 ARG 56 1HH2 ARG 56 17.086 0.304 2.121 378 HH22 ARG 56 2HH2 ARG 56 17.634 1.353 0.856 379 H CYS 57 H CYS 57 9.308 -1.111 -0.883 380 HA CYS 57 HA CYS 57 6.836 -2.187 -0.027 381 HB2 CYS 57 2HB CYS 57 7.195 -0.791 -2.102 382 HB3 CYS 57 1HB CYS 57 7.909 -2.209 -2.864 383 H THR 58 H THR 58 5.999 -4.242 -0.097 384 HA THR 58 HA THR 58 7.868 -6.450 -0.109 385 HB THR 58 HB THR 58 5.089 -7.247 -0.289 386 HG1 THR 58 1HG THR 58 4.445 -6.123 1.599 387 HG21 THR 58 3HG2 THR 58 6.722 -8.637 0.784 388 HG22 THR 58 1HG2 THR 58 5.647 -8.046 2.052 389 HG23 THR 58 2HG2 THR 58 7.238 -7.318 1.835 390 H GLY 59 H GLY 59 5.782 -4.980 -2.476 391 HA2 GLY 59 1HA GLY 59 6.463 -5.524 -4.851 392 HA3 GLY 59 2HA GLY 59 6.433 -7.217 -4.357 393 H GLN 60 H GLN 60 4.033 -6.952 -2.726 394 HA GLN 60 HA GLN 60 1.985 -6.289 -4.790 395 HB2 GLN 60 2HB GLN 60 2.058 -8.794 -3.077 396 HB3 GLN 60 1HB GLN 60 0.750 -8.341 -4.169 397 HG2 GLN 60 2HG GLN 60 2.579 -8.241 -5.999 398 HG3 GLN 60 1HG GLN 60 3.572 -9.153 -4.858 399 HE21 GLN 60 1HE2 GLN 60 3.290 -11.396 -4.883 400 HE22 GLN 60 2HE2 GLN 60 1.964 -12.197 -5.577 401 H SER 61 H SER 61 3.139 -5.619 -1.796 402 HA SER 61 HA SER 61 0.462 -5.376 -0.520 403 HB2 SER 61 2HB SER 61 2.382 -6.337 0.782 404 HB3 SER 61 1HB SER 61 3.195 -4.781 0.650 405 HG SER 61 HG SER 61 1.632 -5.403 2.533 406 H ALA 62 H ALA 62 -0.591 -3.466 -0.719 407 HA ALA 62 HA ALA 62 0.571 -1.158 -1.950 408 HB1 ALA 62 1HB ALA 62 -1.728 -1.098 -2.122 409 HB2 ALA 62 2HB ALA 62 -1.521 -0.062 -0.711 410 HB3 ALA 62 3HB ALA 62 -1.971 -1.754 -0.503 411 H ASP 63 H ASP 63 -0.024 -2.002 1.457 412 HA ASP 63 HA ASP 63 1.106 0.528 2.395 413 HB2 ASP 63 2HB ASP 63 0.736 -1.945 4.084 414 HB3 ASP 63 1HB ASP 63 0.646 -0.252 4.575 415 H CYS 64 H CYS 64 3.030 0.380 3.984 416 HA CYS 64 HA CYS 64 5.074 -1.407 2.745 417 HB2 CYS 64 2HB CYS 64 5.255 1.198 2.740 418 HB3 CYS 64 1HB CYS 64 5.741 1.002 4.411 419 HA PRO 65 HA PRO 65 5.149 -3.517 6.590 420 HB2 PRO 65 2HB PRO 65 7.204 -5.183 5.875 421 HB3 PRO 65 1HB PRO 65 5.534 -5.436 5.371 422 HG2 PRO 65 2HG PRO 65 7.863 -4.454 3.800 423 HG3 PRO 65 1HG PRO 65 6.401 -5.285 3.241 424 HD2 PRO 65 2HD PRO 65 6.896 -2.523 3.032 425 HD3 PRO 65 1HD PRO 65 5.320 -3.314 2.834 426 H ARG 66 H ARG 66 6.354 -3.235 8.481 427 HA ARG 66 HA ARG 66 8.841 -1.617 8.221 428 HB2 ARG 66 2HB ARG 66 8.500 -1.197 10.678 429 HB3 ARG 66 1HB ARG 66 7.173 -0.616 9.669 430 HG2 ARG 66 2HG ARG 66 6.856 -3.410 10.521 431 HG3 ARG 66 1HG ARG 66 6.887 -2.266 11.862 432 HD2 ARG 66 2HD ARG 66 5.003 -1.108 11.092 433 HD3 ARG 66 1HD ARG 66 5.202 -1.691 9.439 434 HE ARG 66 HE ARG 66 4.655 -4.014 10.653 435 HH11 ARG 66 1HH1 ARG 66 2.473 -2.286 9.381 436 HH12 ARG 66 2HH1 ARG 66 1.301 -2.246 10.656 437 HH21 ARG 66 1HH2 ARG 66 3.512 -3.364 13.081 438 HH22 ARG 66 2HH2 ARG 66 1.890 -2.856 12.751 439 H ASN 67 H ASN 67 10.714 -2.208 9.464 440 HA ASN 67 HA ASN 67 11.295 -5.020 9.478 441 HB2 ASN 67 2HB ASN 67 13.420 -4.375 10.450 442 HB3 ASN 67 1HB ASN 67 12.980 -3.141 9.273 443 HD21 ASN 67 1HD2 ASN 67 14.142 -3.485 12.379 444 HD22 ASN 67 2HD2 ASN 67 13.623 -2.010 13.035 445 HA PRO 68 HA PRO 68 9.902 -6.165 13.487 446 HB2 PRO 68 2HB PRO 68 11.810 -8.035 14.165 447 HB3 PRO 68 1HB PRO 68 10.525 -8.323 12.978 448 HG2 PRO 68 2HG PRO 68 13.426 -7.868 12.535 449 HG3 PRO 68 1HG PRO 68 12.244 -8.666 11.486 450 HD2 PRO 68 2HD PRO 68 13.259 -6.021 11.199 451 HD3 PRO 68 1HD PRO 68 11.930 -6.752 10.282 452 H TRP 69 H TRP 69 12.115 -3.946 13.301 453 HA TRP 69 HA TRP 69 12.818 -4.075 16.193 454 HB2 TRP 69 2HB TRP 69 14.752 -3.002 14.147 455 HB3 TRP 69 1HB TRP 69 15.073 -3.523 15.801 456 HD1 TRP 69 HD TRP 69 13.904 -6.280 16.013 457 HE1 TRP 69 1HE TRP 69 14.708 -8.258 14.581 458 HE3 TRP 69 3HE TRP 69 16.020 -3.743 12.126 459 HZ2 TRP 69 2HZ TRP 69 16.061 -8.713 12.112 460 HZ3 TRP 69 3HZ TRP 69 17.057 -4.979 10.240 461 HH2 TRP 69 HH TRP 69 17.072 -7.460 10.233 462 H ASN 70 H ASN 70 11.445 -2.301 13.667 463 HA ASN 70 HA ASN 70 12.118 0.335 14.797 464 HB2 ASN 70 2HB ASN 70 11.936 0.215 12.388 465 HB3 ASN 70 1HB ASN 70 10.327 -0.499 12.502 466 HD21 ASN 70 1HD2 ASN 70 9.393 1.341 11.311 467 HD22 ASN 70 2HD2 ASN 70 9.196 2.850 12.062 468 H GLY 71 H GLY 71 8.879 -0.305 13.692 469 HA2 GLY 71 2HA GLY 71 7.366 -1.022 15.815 470 HA3 GLY 71 1HA GLY 71 7.839 0.609 16.293 Start of MODEL 6 1 H GLY 1 1HT GLY 1 -17.330 -7.125 7.823 2 HA2 GLY 1 1HA GLY 1 -18.461 -5.301 5.902 3 HA3 GLY 1 2HA GLY 1 -17.168 -5.042 7.073 4 H LYS 2 H LYS 2 -17.444 -7.431 4.432 5 HA LYS 2 HA LYS 2 -14.757 -6.567 3.508 6 HB2 LYS 2 2HB LYS 2 -16.445 -9.025 3.037 7 HB3 LYS 2 1HB LYS 2 -15.039 -8.672 2.031 8 HG2 LYS 2 2HG LYS 2 -14.599 -8.440 4.950 9 HG3 LYS 2 1HG LYS 2 -14.904 -10.074 4.360 10 HD2 LYS 2 2HD LYS 2 -12.827 -10.197 3.508 11 HD3 LYS 2 1HD LYS 2 -13.096 -8.730 2.564 12 HE2 LYS 2 2HE LYS 2 -12.153 -7.358 4.167 13 HE3 LYS 2 1HE LYS 2 -12.590 -8.434 5.494 14 HZ1 LYS 2 3HZ LYS 2 -10.915 -9.991 4.160 15 HZ2 LYS 2 1HZ LYS 2 -10.410 -8.933 5.385 16 HZ3 LYS 2 2HZ LYS 2 -10.258 -8.477 3.756 17 H GLU 3 H GLU 3 -16.160 -4.556 2.768 18 HA GLU 3 HA GLU 3 -16.718 -4.993 -0.116 19 HB2 GLU 3 2HB GLU 3 -18.771 -4.681 1.777 20 HB3 GLU 3 1HB GLU 3 -18.610 -3.101 1.008 21 HG2 GLU 3 2HG GLU 3 -18.575 -4.406 -1.223 22 HG3 GLU 3 1HG GLU 3 -19.204 -5.762 -0.285 23 H CYS 4 H CYS 4 -14.775 -3.525 1.884 24 HA CYS 4 HA CYS 4 -14.817 -0.963 0.345 25 HB2 CYS 4 2HB CYS 4 -14.729 -1.414 3.276 26 HB3 CYS 4 1HB CYS 4 -13.612 -0.201 2.653 27 H ASP 5 H ASP 5 -13.065 -1.173 -0.994 28 HA ASP 5 HA ASP 5 -10.609 -2.480 0.044 29 HB2 ASP 5 2HB ASP 5 -11.817 -2.104 -2.582 30 HB3 ASP 5 1HB ASP 5 -10.124 -1.611 -2.575 31 H CYS 6 H CYS 6 -11.962 0.614 -0.371 32 HA CYS 6 HA CYS 6 -9.293 1.845 0.145 33 HB2 CYS 6 2HB CYS 6 -9.774 3.672 -1.355 34 HB3 CYS 6 1HB CYS 6 -10.031 2.178 -2.256 35 H SER 7 H SER 7 -9.353 3.417 1.755 36 HA SER 7 HA SER 7 -11.921 3.690 3.193 37 HB2 SER 7 2HB SER 7 -9.871 3.193 4.476 38 HB3 SER 7 1HB SER 7 -9.144 4.689 3.896 39 HG SER 7 HG SER 7 -10.106 4.953 5.949 40 H SER 8 H SER 8 -10.625 5.266 0.642 41 HA SER 8 HA SER 8 -11.513 7.949 1.613 42 HB2 SER 8 2HB SER 8 -9.138 7.616 0.685 43 HB3 SER 8 1HB SER 8 -9.906 7.420 -0.889 44 HG SER 8 HG SER 8 -11.037 9.508 -0.044 45 HA PRO 9 HA PRO 9 -14.934 7.045 -1.159 46 HB2 PRO 9 2HB PRO 9 -16.475 9.153 -0.296 47 HB3 PRO 9 1HB PRO 9 -16.376 7.600 0.552 48 HG2 PRO 9 2HG PRO 9 -15.135 10.217 1.272 49 HG3 PRO 9 1HG PRO 9 -15.615 8.875 2.325 50 HD2 PRO 9 2HD PRO 9 -12.977 9.452 1.501 51 HD3 PRO 9 1HD PRO 9 -13.526 7.930 2.234 52 H GLU 10 H GLU 10 -13.017 9.922 -0.838 53 HA GLU 10 HA GLU 10 -14.165 11.157 -3.271 54 HB2 GLU 10 2HB GLU 10 -13.523 12.602 -1.353 55 HB3 GLU 10 1HB GLU 10 -11.856 12.049 -1.512 56 HG2 GLU 10 2HG GLU 10 -11.483 13.278 -3.417 57 HG3 GLU 10 1HG GLU 10 -13.150 13.117 -3.971 58 H ASN 11 H ASN 11 -12.575 8.552 -3.106 59 HA ASN 11 HA ASN 11 -10.304 9.272 -4.894 60 HB2 ASN 11 2HB ASN 11 -10.128 7.797 -2.717 61 HB3 ASN 11 1HB ASN 11 -10.759 6.527 -3.762 62 HD21 ASN 11 1HD2 ASN 11 -8.309 5.885 -2.995 63 HD22 ASN 11 2HD2 ASN 11 -7.122 6.255 -4.148 64 HA PRO 12 HA PRO 12 -12.991 7.622 -8.082 65 HB2 PRO 12 2HB PRO 12 -11.307 8.254 -10.163 66 HB3 PRO 12 1HB PRO 12 -12.391 9.423 -9.390 67 HG2 PRO 12 2HG PRO 12 -9.432 9.140 -9.118 68 HG3 PRO 12 1HG PRO 12 -10.445 10.582 -8.925 69 HD2 PRO 12 2HD PRO 12 -9.367 9.031 -6.823 70 HD3 PRO 12 1HD PRO 12 -10.656 10.243 -6.666 71 H CYS 13 H CYS 13 -10.116 6.437 -6.894 72 HA CYS 13 HA CYS 13 -9.488 4.499 -8.967 73 HB2 CYS 13 2HB CYS 13 -8.401 5.373 -6.403 74 HB3 CYS 13 1HB CYS 13 -8.340 3.620 -6.584 75 H CYS 14 H CYS 14 -11.622 4.632 -6.213 76 HA CYS 14 HA CYS 14 -12.295 1.758 -6.698 77 HB2 CYS 14 2HB CYS 14 -12.934 1.701 -4.239 78 HB3 CYS 14 1HB CYS 14 -11.205 1.826 -4.563 79 H ASP 15 H ASP 15 -14.443 1.358 -7.032 80 HA ASP 15 HA ASP 15 -16.287 3.371 -7.668 81 HB2 ASP 15 2HB ASP 15 -16.401 0.781 -8.012 82 HB3 ASP 15 1HB ASP 15 -17.200 0.778 -6.440 83 H ALA 16 H ALA 16 -17.342 4.830 -6.415 84 HA ALA 16 HA ALA 16 -17.080 4.805 -3.536 85 HB1 ALA 16 1HB ALA 16 -18.077 6.895 -3.599 86 HB2 ALA 16 2HB ALA 16 -19.198 6.436 -4.881 87 HB3 ALA 16 3HB ALA 16 -17.514 6.788 -5.266 88 H ALA 17 H ALA 17 -19.504 3.680 -5.805 89 HA ALA 17 HA ALA 17 -21.656 3.387 -3.907 90 HB1 ALA 17 1HB ALA 17 -21.234 2.886 -6.682 91 HB2 ALA 17 2HB ALA 17 -22.760 2.866 -5.799 92 HB3 ALA 17 3HB ALA 17 -21.812 1.387 -5.956 93 H THR 18 H THR 18 -19.210 1.104 -5.162 94 HA THR 18 HA THR 18 -20.059 -0.877 -3.125 95 HB THR 18 HB THR 18 -18.777 -2.470 -4.331 96 HG1 THR 18 1HG THR 18 -17.323 -1.700 -5.999 97 HG21 THR 18 3HG2 THR 18 -20.184 -2.459 -6.083 98 HG22 THR 18 1HG2 THR 18 -19.329 -1.096 -6.806 99 HG23 THR 18 2HG2 THR 18 -20.636 -0.808 -5.656 100 H CYS 19 H CYS 19 -17.843 1.658 -3.451 101 HA CYS 19 HA CYS 19 -16.071 2.355 -2.078 102 HB2 CYS 19 2HB CYS 19 -17.649 1.806 -0.263 103 HB3 CYS 19 1HB CYS 19 -17.130 0.124 -0.311 104 H LYS 20 H LYS 20 -15.732 0.150 -4.112 105 HA LYS 20 HA LYS 20 -13.194 -0.924 -2.961 106 HB2 LYS 20 2HB LYS 20 -15.331 -2.453 -4.451 107 HB3 LYS 20 1HB LYS 20 -13.680 -3.052 -4.283 108 HG2 LYS 20 2HG LYS 20 -14.437 -2.233 -1.703 109 HG3 LYS 20 1HG LYS 20 -15.839 -3.083 -2.351 110 HD2 LYS 20 2HD LYS 20 -13.080 -4.256 -2.643 111 HD3 LYS 20 1HD LYS 20 -13.992 -4.476 -1.149 112 HE2 LYS 20 2HE LYS 20 -15.434 -5.942 -2.106 113 HE3 LYS 20 1HE LYS 20 -15.568 -4.983 -3.579 114 HZ1 LYS 20 3HZ LYS 20 -13.717 -7.134 -2.921 115 HZ2 LYS 20 1HZ LYS 20 -13.090 -5.847 -3.831 116 HZ3 LYS 20 2HZ LYS 20 -14.424 -6.725 -4.411 117 H LEU 21 H LEU 21 -11.929 -2.020 -4.942 118 HA LEU 21 HA LEU 21 -11.231 0.092 -6.721 119 HB2 LEU 21 2HB LEU 21 -10.644 -2.848 -6.592 120 HB3 LEU 21 1HB LEU 21 -10.206 -1.957 -8.049 121 HG LEU 21 HG LEU 21 -9.441 -0.481 -5.670 122 HD11 LEU 21 1HD1 LEU 21 -9.316 -3.114 -5.111 123 HD12 LEU 21 2HD1 LEU 21 -8.114 -1.962 -4.525 124 HD13 LEU 21 3HD1 LEU 21 -7.781 -2.931 -5.960 125 HD21 LEU 21 3HD2 LEU 21 -7.981 0.190 -7.248 126 HD22 LEU 21 1HD2 LEU 21 -8.507 -1.110 -8.317 127 HD23 LEU 21 2HD2 LEU 21 -7.205 -1.391 -7.162 128 H ARG 22 H ARG 22 -12.505 0.880 -8.321 129 HA ARG 22 HA ARG 22 -14.567 -0.836 -9.535 130 HB2 ARG 22 2HB ARG 22 -14.883 1.629 -8.848 131 HB3 ARG 22 1HB ARG 22 -13.983 2.019 -10.311 132 HG2 ARG 22 2HG ARG 22 -15.653 0.436 -11.507 133 HG3 ARG 22 1HG ARG 22 -16.643 0.635 -10.060 134 HD2 ARG 22 2HD ARG 22 -16.314 3.164 -10.387 135 HD3 ARG 22 1HD ARG 22 -15.727 2.759 -12.001 136 HE ARG 22 HE ARG 22 -18.424 1.826 -11.131 137 HH11 ARG 22 1HH1 ARG 22 -16.566 2.077 -13.811 138 HH12 ARG 22 2HH1 ARG 22 -17.647 3.062 -14.738 139 HH21 ARG 22 1HH2 ARG 22 -19.732 3.755 -12.054 140 HH22 ARG 22 2HH2 ARG 22 -19.442 4.013 -13.741 141 HA PRO 23 HA PRO 23 -11.898 0.126 -13.372 142 HB2 PRO 23 2HB PRO 23 -9.401 1.199 -12.960 143 HB3 PRO 23 1HB PRO 23 -10.857 2.177 -13.217 144 HG2 PRO 23 2HG PRO 23 -9.343 1.698 -10.701 145 HG3 PRO 23 1HG PRO 23 -10.393 3.056 -11.137 146 HD2 PRO 23 2HD PRO 23 -11.071 0.864 -9.458 147 HD3 PRO 23 1HD PRO 23 -12.186 2.092 -10.090 148 H GLY 24 H GLY 24 -9.183 -0.442 -13.885 149 HA2 GLY 24 2HA GLY 24 -9.016 -3.201 -12.816 150 HA3 GLY 24 1HA GLY 24 -8.121 -2.578 -14.202 151 H ALA 25 H ALA 25 -8.221 -0.589 -11.371 152 HA ALA 25 HA ALA 25 -5.339 -0.708 -11.099 153 HB1 ALA 25 1HB ALA 25 -6.561 1.358 -10.562 154 HB2 ALA 25 2HB ALA 25 -5.703 0.773 -9.138 155 HB3 ALA 25 3HB ALA 25 -7.442 0.525 -9.280 156 H GLN 26 H GLN 26 -4.124 -1.705 -9.426 157 HA GLN 26 HA GLN 26 -5.356 -4.089 -8.278 158 HB2 GLN 26 2HB GLN 26 -2.641 -2.977 -8.558 159 HB3 GLN 26 1HB GLN 26 -2.903 -3.856 -7.052 160 HG2 GLN 26 2HG GLN 26 -2.879 -5.835 -8.123 161 HG3 GLN 26 1HG GLN 26 -4.090 -5.279 -9.278 162 HE21 GLN 26 1HE2 GLN 26 -3.233 -3.945 -11.160 163 HE22 GLN 26 2HE2 GLN 26 -1.657 -4.248 -11.714 164 H CYS 27 H CYS 27 -4.497 -0.877 -7.156 165 HA CYS 27 HA CYS 27 -6.003 -1.386 -4.677 166 HB2 CYS 27 2HB CYS 27 -4.153 -1.777 -3.437 167 HB3 CYS 27 1HB CYS 27 -3.099 -1.398 -4.791 168 H GLY 28 H GLY 28 -6.762 0.579 -3.732 169 HA2 GLY 28 2HA GLY 28 -6.701 2.873 -5.590 170 HA3 GLY 28 1HA GLY 28 -7.782 2.694 -4.212 171 H GLU 29 H GLU 29 -5.608 1.923 -2.413 172 HA GLU 29 HA GLU 29 -3.875 4.312 -2.370 173 HB2 GLU 29 2HB GLU 29 -4.607 5.007 -0.198 174 HB3 GLU 29 1HB GLU 29 -6.043 4.857 -1.197 175 HG2 GLU 29 2HG GLU 29 -6.856 3.543 0.454 176 HG3 GLU 29 1HG GLU 29 -5.763 2.311 -0.178 177 H GLY 30 H GLY 30 -1.985 3.981 -1.081 178 HA2 GLY 30 2HA GLY 30 -1.444 2.102 0.854 179 HA3 GLY 30 1HA GLY 30 -1.323 1.169 -0.637 180 H LEU 31 H LEU 31 0.911 1.537 1.010 181 HA LEU 31 HA LEU 31 2.545 3.771 0.206 182 HB2 LEU 31 2HB LEU 31 2.944 1.214 1.673 183 HB3 LEU 31 1HB LEU 31 4.380 1.932 0.946 184 HG LEU 31 HG LEU 31 3.875 2.677 3.327 185 HD11 LEU 31 1HD1 LEU 31 4.636 4.880 2.908 186 HD12 LEU 31 2HD1 LEU 31 3.784 4.971 1.367 187 HD13 LEU 31 3HD1 LEU 31 5.216 3.952 1.525 188 HD21 LEU 31 3HD2 LEU 31 1.814 4.495 2.128 189 HD22 LEU 31 1HD2 LEU 31 1.998 3.963 3.799 190 HD23 LEU 31 2HD2 LEU 31 1.333 2.864 2.592 191 H CYS 32 H CYS 32 2.006 0.544 -1.095 192 HA CYS 32 HA CYS 32 4.031 1.099 -3.218 193 HB2 CYS 32 2HB CYS 32 2.703 -1.568 -2.956 194 HB3 CYS 32 1HB CYS 32 4.354 -1.183 -3.437 195 H CYS 33 H CYS 33 1.613 2.498 -3.413 196 HA CYS 33 HA CYS 33 0.300 1.059 -5.681 197 HB2 CYS 33 2HB CYS 33 -0.974 2.874 -3.613 198 HB3 CYS 33 1HB CYS 33 -1.795 2.285 -5.058 199 H GLU 34 H GLU 34 1.327 2.096 -7.381 200 HA GLU 34 HA GLU 34 1.200 5.084 -7.413 201 HB2 GLU 34 2HB GLU 34 3.031 3.150 -8.866 202 HB3 GLU 34 1HB GLU 34 2.961 4.878 -9.218 203 HG2 GLU 34 2HG GLU 34 3.408 5.254 -6.724 204 HG3 GLU 34 1HG GLU 34 3.816 3.539 -6.645 205 H GLN 35 H GLN 35 -0.167 5.981 -8.926 206 HA GLN 35 HA GLN 35 -1.694 6.085 -10.713 207 HB2 GLN 35 2HB GLN 35 0.514 5.226 -11.867 208 HB3 GLN 35 1HB GLN 35 -0.351 3.690 -11.949 209 HG2 GLN 35 2HG GLN 35 -1.881 4.476 -13.470 210 HG3 GLN 35 1HG GLN 35 -1.845 6.115 -12.819 211 HE21 GLN 35 1HE2 GLN 35 -1.198 7.386 -14.592 212 HE22 GLN 35 2HE2 GLN 35 0.184 7.086 -15.529 213 H CYS 36 H CYS 36 -1.902 4.150 -8.363 214 HA CYS 36 HA CYS 36 -3.559 2.676 -7.608 215 HB2 CYS 36 2HB CYS 36 -4.763 3.962 -9.789 216 HB3 CYS 36 1HB CYS 36 -4.997 2.247 -10.088 217 H LYS 37 H LYS 37 -1.110 1.696 -8.497 218 HA LYS 37 HA LYS 37 -1.927 -1.013 -9.389 219 HB2 LYS 37 2HB LYS 37 -0.621 0.855 -11.092 220 HB3 LYS 37 1HB LYS 37 0.580 -0.356 -10.637 221 HG2 LYS 37 2HG LYS 37 -0.350 -1.572 -12.323 222 HG3 LYS 37 1HG LYS 37 -1.596 -1.937 -11.128 223 HD2 LYS 37 2HD LYS 37 -3.015 -1.074 -12.685 224 HD3 LYS 37 1HD LYS 37 -2.461 0.482 -12.063 225 HE2 LYS 37 2HE LYS 37 -1.554 0.971 -14.060 226 HE3 LYS 37 1HE LYS 37 -0.532 -0.463 -13.952 227 HZ1 LYS 37 3HZ LYS 37 -2.502 -0.077 -15.766 228 HZ2 LYS 37 1HZ LYS 37 -3.269 -1.048 -14.605 229 HZ3 LYS 37 2HZ LYS 37 -1.837 -1.584 -15.347 230 H PHE 38 H PHE 38 -0.107 -2.598 -8.963 231 HA PHE 38 HA PHE 38 1.083 -2.005 -6.364 232 HB2 PHE 38 2HB PHE 38 1.162 -4.394 -8.206 233 HB3 PHE 38 1HB PHE 38 2.143 -4.323 -6.747 234 HD1 PHE 38 2HD PHE 38 0.287 -2.829 -4.931 235 HD2 PHE 38 1HD PHE 38 -0.448 -6.049 -7.679 236 HE1 PHE 38 2HE PHE 38 -1.662 -3.538 -3.581 237 HE2 PHE 38 1HE PHE 38 -2.398 -6.758 -6.322 238 HZ PHE 38 HZ PHE 38 -3.007 -5.501 -4.273 239 H SER 39 H SER 39 2.928 -0.813 -6.229 240 HA SER 39 HA SER 39 4.697 -0.304 -8.411 241 HB2 SER 39 2HB SER 39 5.229 -0.205 -5.423 242 HB3 SER 39 1HB SER 39 6.287 0.477 -6.653 243 HG SER 39 HG SER 39 4.740 1.946 -7.167 244 H ARG 40 H ARG 40 7.254 -0.937 -7.722 245 HA ARG 40 HA ARG 40 7.198 -3.906 -7.889 246 HB2 ARG 40 2HB ARG 40 9.667 -3.558 -8.501 247 HB3 ARG 40 1HB ARG 40 8.487 -2.942 -9.659 248 HG2 ARG 40 2HG ARG 40 8.819 -0.705 -8.992 249 HG3 ARG 40 1HG ARG 40 9.572 -1.177 -7.469 250 HD2 ARG 40 2HD ARG 40 11.574 -0.967 -8.480 251 HD3 ARG 40 1HD ARG 40 11.151 -2.361 -9.474 252 HE ARG 40 HE ARG 40 10.536 -0.866 -11.250 253 HH11 ARG 40 1HH1 ARG 40 9.552 1.179 -9.047 254 HH12 ARG 40 2HH1 ARG 40 10.555 2.529 -9.459 255 HH21 ARG 40 1HH2 ARG 40 12.667 0.676 -11.492 256 HH22 ARG 40 2HH2 ARG 40 12.321 2.244 -10.843 257 H ALA 41 H ALA 41 8.997 -5.046 -6.645 258 HA ALA 41 HA ALA 41 8.867 -4.277 -3.863 259 HB1 ALA 41 1HB ALA 41 10.964 -6.183 -4.809 260 HB2 ALA 41 2HB ALA 41 9.279 -6.641 -5.056 261 HB3 ALA 41 3HB ALA 41 9.873 -6.311 -3.429 262 H GLY 42 H GLY 42 10.953 -4.025 -2.549 263 HA2 GLY 42 2HA GLY 42 13.030 -2.949 -2.198 264 HA3 GLY 42 1HA GLY 42 13.259 -2.924 -3.944 265 H LYS 43 H LYS 43 10.279 -1.674 -2.581 266 HA LYS 43 HA LYS 43 11.171 1.030 -3.494 267 HB2 LYS 43 2HB LYS 43 9.150 1.114 -4.469 268 HB3 LYS 43 1HB LYS 43 8.714 -0.434 -3.761 269 HG2 LYS 43 2HG LYS 43 7.068 1.192 -3.050 270 HG3 LYS 43 1HG LYS 43 8.068 0.814 -1.652 271 HD2 LYS 43 2HD LYS 43 8.498 3.015 -1.452 272 HD3 LYS 43 1HD LYS 43 9.388 2.923 -2.973 273 HE2 LYS 43 2HE LYS 43 7.652 3.797 -4.201 274 HE3 LYS 43 1HE LYS 43 6.420 3.086 -3.159 275 HZ1 LYS 43 3HZ LYS 43 6.330 4.921 -1.935 276 HZ2 LYS 43 1HZ LYS 43 7.253 5.687 -3.135 277 HZ3 LYS 43 2HZ LYS 43 8.020 5.006 -1.781 278 H ILE 44 H ILE 44 11.727 2.505 -1.999 279 HA ILE 44 HA ILE 44 11.626 2.028 0.804 280 HB ILE 44 HB ILE 44 13.205 3.631 -0.052 281 HG12 ILE 44 2HG1 ILE 44 12.547 5.702 1.262 282 HG13 ILE 44 1HG1 ILE 44 10.990 4.929 1.561 283 HG21 ILE 44 1HG2 ILE 44 11.915 5.894 -0.834 284 HG22 ILE 44 2HG2 ILE 44 10.787 4.667 -1.410 285 HG23 ILE 44 3HG2 ILE 44 12.464 4.647 -1.955 286 HD11 ILE 44 3HD1 ILE 44 12.687 2.914 2.248 287 HD12 ILE 44 1HD1 ILE 44 12.046 4.088 3.397 288 HD13 ILE 44 2HD1 ILE 44 13.651 4.319 2.703 289 H CYS 45 H CYS 45 9.434 1.408 1.268 290 HA CYS 45 HA CYS 45 7.188 3.154 0.718 291 HB2 CYS 45 2HB CYS 45 6.040 1.684 2.429 292 HB3 CYS 45 1HB CYS 45 6.768 0.808 1.084 293 H ARG 46 H ARG 46 9.315 2.612 3.480 294 HA ARG 46 HA ARG 46 8.723 5.280 4.522 295 HB2 ARG 46 2HB ARG 46 7.342 2.924 5.545 296 HB3 ARG 46 1HB ARG 46 8.282 3.726 6.804 297 HG2 ARG 46 2HG ARG 46 7.172 5.888 5.600 298 HG3 ARG 46 1HG ARG 46 5.905 4.693 5.317 299 HD2 ARG 46 2HD ARG 46 6.609 4.224 7.952 300 HD3 ARG 46 1HD ARG 46 6.727 5.979 7.822 301 HE ARG 46 HE ARG 46 4.260 4.382 7.510 302 HH11 ARG 46 1HH2 ARG 46 4.659 6.661 5.451 303 HH12 ARG 46 2HH2 ARG 46 3.778 7.934 6.227 304 HH21 ARG 46 1HH1 ARG 46 3.658 6.341 9.302 305 HH22 ARG 46 2HH1 ARG 46 3.213 7.753 8.403 306 H ILE 47 H ILE 47 9.986 5.544 6.696 307 HA ILE 47 HA ILE 47 12.621 4.224 6.315 308 HB ILE 47 HB ILE 47 12.331 6.774 6.501 309 HG12 ILE 47 2HG1 ILE 47 14.191 6.088 8.666 310 HG13 ILE 47 1HG1 ILE 47 14.378 5.062 7.243 311 HG21 ILE 47 1HG2 ILE 47 10.745 6.462 8.515 312 HG22 ILE 47 2HG2 ILE 47 11.964 7.731 8.637 313 HG23 ILE 47 3HG2 ILE 47 12.208 6.191 9.462 314 HD11 ILE 47 3HD1 ILE 47 14.997 6.824 5.879 315 HD12 ILE 47 1HD1 ILE 47 15.632 7.403 7.419 316 HD13 ILE 47 2HD1 ILE 47 14.088 8.008 6.820 317 H ALA 48 H ALA 48 13.766 3.436 8.272 318 HA ALA 48 HA ALA 48 11.851 2.128 10.124 319 HB1 ALA 48 1HB ALA 48 13.837 0.964 8.864 320 HB2 ALA 48 2HB ALA 48 13.518 0.542 10.547 321 HB3 ALA 48 3HB ALA 48 14.822 1.662 10.150 322 H ARG 49 H ARG 49 11.911 2.472 12.360 323 HA ARG 49 HA ARG 49 13.347 4.926 13.210 324 HB2 ARG 49 2HB ARG 49 11.248 3.279 14.658 325 HB3 ARG 49 1HB ARG 49 11.876 4.845 15.178 326 HG2 ARG 49 2HG ARG 49 10.553 5.973 13.731 327 HG3 ARG 49 1HG ARG 49 10.926 4.868 12.407 328 HD2 ARG 49 2HD ARG 49 8.737 4.262 12.662 329 HD3 ARG 49 1HD ARG 49 9.389 3.252 13.952 330 HE ARG 49 HE ARG 49 8.523 4.810 15.561 331 HH11 ARG 49 1HH2 ARG 49 6.714 4.843 12.859 332 HH12 ARG 49 2HH2 ARG 49 6.165 6.483 12.971 333 HH21 ARG 49 1HH1 ARG 49 8.403 7.342 15.477 334 HH22 ARG 49 2HH1 ARG 49 7.120 7.896 14.453 335 H GLY 50 H GLY 50 15.330 4.616 14.090 336 HA2 GLY 50 2HA GLY 50 16.144 3.492 16.356 337 HA3 GLY 50 1HA GLY 50 15.934 2.024 15.404 338 H ASP 51 H ASP 51 17.513 1.482 13.926 339 HA ASP 51 HA ASP 51 19.359 3.288 12.719 340 HB2 ASP 51 2HB ASP 51 19.940 2.861 15.421 341 HB3 ASP 51 1HB ASP 51 21.041 1.783 14.562 342 H TRP 52 H TRP 52 18.021 1.300 11.549 343 HA TRP 52 HA TRP 52 20.091 -0.812 11.137 344 HB2 TRP 52 2HB TRP 52 17.694 -1.994 10.369 345 HB3 TRP 52 1HB TRP 52 18.574 -2.319 11.857 346 HD1 TRP 52 HD TRP 52 15.890 0.153 10.559 347 HE1 TRP 52 1HE TRP 52 14.312 0.717 12.516 348 HE3 TRP 52 3HE TRP 52 18.184 -2.435 14.315 349 HZ2 TRP 52 2HZ TRP 52 14.058 0.150 15.307 350 HZ3 TRP 52 3HZ TRP 52 17.255 -2.403 16.613 351 HH2 TRP 52 HH TRP 52 15.196 -1.117 17.112 352 H ASN 53 H ASN 53 17.088 -0.593 9.365 353 HA ASN 53 HA ASN 53 18.535 0.620 7.063 354 HB2 ASN 53 2HB ASN 53 16.811 -1.870 6.882 355 HB3 ASN 53 1HB ASN 53 17.648 -1.078 5.546 356 HD21 ASN 53 1HD2 ASN 53 19.780 -1.745 5.146 357 HD22 ASN 53 2HD2 ASN 53 20.700 -2.705 6.201 358 H ASP 54 H ASP 54 16.430 0.397 5.214 359 HA ASP 54 HA ASP 54 14.431 2.214 6.475 360 HB2 ASP 54 2HB ASP 54 14.889 1.717 3.521 361 HB3 ASP 54 1HB ASP 54 13.993 3.046 4.258 362 H ASP 55 H ASP 55 12.590 1.717 4.163 363 HA ASP 55 HA ASP 55 11.712 -1.061 4.808 364 HB2 ASP 55 2HB ASP 55 9.878 1.349 4.680 365 HB3 ASP 55 1HB ASP 55 9.403 -0.309 5.040 366 H ARG 56 H ARG 56 11.688 -2.128 2.901 367 HA ARG 56 HA ARG 56 11.186 -0.597 0.403 368 HB2 ARG 56 2HB ARG 56 12.298 -3.370 0.874 369 HB3 ARG 56 1HB ARG 56 12.049 -2.648 -0.713 370 HG2 ARG 56 2HG ARG 56 13.719 -1.325 1.432 371 HG3 ARG 56 1HG ARG 56 14.406 -2.424 0.236 372 HD2 ARG 56 2HD ARG 56 14.393 -0.820 -1.348 373 HD3 ARG 56 1HD ARG 56 12.697 -0.450 -1.035 374 HE ARG 56 HE ARG 56 13.386 1.302 0.424 375 HH11 ARG 56 1HH2 ARG 56 15.745 -0.795 1.179 376 HH12 ARG 56 2HH2 ARG 56 17.083 0.290 1.005 377 HH21 ARG 56 1HH1 ARG 56 15.224 2.760 -0.561 378 HH22 ARG 56 2HH1 ARG 56 16.789 2.301 0.022 379 H CYS 57 H CYS 57 9.413 -0.985 -0.874 380 HA CYS 57 HA CYS 57 7.155 -2.405 0.229 381 HB2 CYS 57 2HB CYS 57 7.775 -1.000 -2.321 382 HB3 CYS 57 1HB CYS 57 6.482 -2.191 -2.371 383 H THR 58 H THR 58 6.251 -4.392 -0.544 384 HA THR 58 HA THR 58 8.192 -6.408 -1.261 385 HB THR 58 HB THR 58 5.586 -7.393 -1.766 386 HG1 THR 58 1HG THR 58 4.657 -5.660 -0.793 387 HG21 THR 58 3HG2 THR 58 6.194 -8.087 0.838 388 HG22 THR 58 1HG2 THR 58 7.779 -7.719 0.155 389 HG23 THR 58 2HG2 THR 58 6.755 -8.941 -0.601 390 H GLY 59 H GLY 59 6.059 -4.330 -3.048 391 HA2 GLY 59 2HA GLY 59 6.322 -3.918 -5.407 392 HA3 GLY 59 1HA GLY 59 7.132 -5.477 -5.561 393 H GLN 60 H GLN 60 4.772 -6.476 -3.744 394 HA GLN 60 HA GLN 60 2.771 -6.678 -5.958 395 HB2 GLN 60 2HB GLN 60 4.053 -8.792 -4.281 396 HB3 GLN 60 1HB GLN 60 2.357 -9.005 -4.711 397 HG2 GLN 60 2HG GLN 60 3.717 -10.064 -6.419 398 HG3 GLN 60 1HG GLN 60 2.976 -8.620 -7.111 399 HE21 GLN 60 1HE2 GLN 60 4.570 -7.894 -8.569 400 HE22 GLN 60 2HE2 GLN 60 6.177 -7.565 -8.134 401 H SER 61 H SER 61 3.373 -5.781 -2.752 402 HA SER 61 HA SER 61 0.492 -6.121 -2.027 403 HB2 SER 61 2HB SER 61 2.785 -5.422 -0.178 404 HB3 SER 61 1HB SER 61 1.158 -5.920 0.280 405 HG SER 61 HG SER 61 3.093 -7.507 0.115 406 H ALA 62 H ALA 62 -0.762 -4.312 -1.933 407 HA ALA 62 HA ALA 62 0.117 -1.775 -2.821 408 HB1 ALA 62 1HB ALA 62 -2.288 -2.819 -1.425 409 HB2 ALA 62 2HB ALA 62 -2.172 -1.821 -2.874 410 HB3 ALA 62 3HB ALA 62 -2.004 -1.084 -1.281 411 H ASP 63 H ASP 63 -0.408 -2.926 0.522 412 HA ASP 63 HA ASP 63 0.710 -0.468 1.641 413 HB2 ASP 63 2HB ASP 63 0.140 -3.120 3.005 414 HB3 ASP 63 1HB ASP 63 0.413 -1.569 3.800 415 H CYS 64 H CYS 64 2.522 -0.995 3.456 416 HA CYS 64 HA CYS 64 4.656 -2.509 2.009 417 HB2 CYS 64 2HB CYS 64 5.249 -0.186 2.086 418 HB3 CYS 64 1HB CYS 64 4.816 -0.068 3.789 419 HA PRO 65 HA PRO 65 4.718 -5.156 5.486 420 HB2 PRO 65 2HB PRO 65 6.957 -6.523 4.705 421 HB3 PRO 65 1HB PRO 65 5.360 -6.808 4.014 422 HG2 PRO 65 2HG PRO 65 7.722 -5.442 2.834 423 HG3 PRO 65 1HG PRO 65 6.357 -6.226 2.020 424 HD2 PRO 65 2HD PRO 65 6.716 -3.439 2.376 425 HD3 PRO 65 1HD PRO 65 5.237 -4.253 1.823 426 H ARG 66 H ARG 66 6.273 -5.735 7.266 427 HA ARG 66 HA ARG 66 8.566 -3.852 7.532 428 HB2 ARG 66 2HB ARG 66 7.846 -3.476 9.935 429 HB3 ARG 66 1HB ARG 66 6.790 -2.740 8.726 430 HG2 ARG 66 2HG ARG 66 5.219 -4.590 8.899 431 HG3 ARG 66 1HG ARG 66 6.301 -5.449 9.997 432 HD2 ARG 66 2HD ARG 66 5.680 -2.711 10.866 433 HD3 ARG 66 1HD ARG 66 4.268 -3.764 10.787 434 HE ARG 66 HE ARG 66 6.604 -4.906 12.165 435 HH11 ARG 66 1HH1 ARG 66 3.791 -5.788 12.669 436 HH12 ARG 66 2HH1 ARG 66 3.432 -5.024 14.181 437 HH21 ARG 66 1HH2 ARG 66 6.077 -2.790 13.983 438 HH22 ARG 66 2HH2 ARG 66 4.726 -3.326 14.924 439 H ASN 67 H ASN 67 10.324 -4.790 8.566 440 HA ASN 67 HA ASN 67 10.397 -7.635 8.873 441 HB2 ASN 67 2HB ASN 67 12.554 -7.041 10.235 442 HB3 ASN 67 1HB ASN 67 12.508 -6.676 8.510 443 HD21 ASN 67 1HD2 ASN 67 14.177 -4.967 9.104 444 HD22 ASN 67 2HD2 ASN 67 13.626 -3.474 9.695 445 HA PRO 68 HA PRO 68 8.935 -8.171 12.976 446 HB2 PRO 68 2HB PRO 68 10.465 -10.305 13.776 447 HB3 PRO 68 1HB PRO 68 9.136 -10.434 12.611 448 HG2 PRO 68 2HG PRO 68 12.072 -10.522 12.119 449 HG3 PRO 68 1HG PRO 68 10.754 -11.223 11.165 450 HD2 PRO 68 2HD PRO 68 12.163 -8.830 10.574 451 HD3 PRO 68 1HD PRO 68 10.669 -9.391 9.794 452 H TRP 69 H TRP 69 11.280 -6.246 12.697 453 HA TRP 69 HA TRP 69 12.251 -6.508 15.505 454 HB2 TRP 69 2HB TRP 69 14.010 -5.434 13.301 455 HB3 TRP 69 1HB TRP 69 14.480 -6.019 14.898 456 HD1 TRP 69 HD TRP 69 14.613 -7.077 11.477 457 HE1 TRP 69 1HE TRP 69 14.745 -9.642 11.256 458 HE3 TRP 69 3HE TRP 69 13.216 -8.438 16.195 459 HZ2 TRP 69 2HZ TRP 69 14.313 -11.964 12.869 460 HZ3 TRP 69 3HZ TRP 69 13.085 -10.833 16.827 461 HH2 TRP 69 HH TRP 69 13.631 -12.595 15.171 462 H ASN 70 H ASN 70 10.066 -4.932 14.467 463 HA ASN 70 HA ASN 70 11.195 -2.173 14.714 464 HB2 ASN 70 2HB ASN 70 9.515 -3.210 12.756 465 HB3 ASN 70 1HB ASN 70 8.409 -2.356 13.832 466 HD21 ASN 70 1HD2 ASN 70 11.207 -1.935 11.685 467 HD22 ASN 70 2HD2 ASN 70 11.115 -0.241 11.616 468 H GLY 71 H GLY 71 10.437 -4.142 16.876 469 HA2 GLY 71 2HA GLY 71 9.411 -4.016 18.983 470 HA3 GLY 71 1HA GLY 71 9.196 -2.294 18.671 Start of MODEL 7 1 H GLY 1 1HT GLY 1 -11.278 -12.372 4.735 2 HA2 GLY 1 1HA GLY 1 -9.757 -10.851 3.178 3 HA3 GLY 1 2HA GLY 1 -11.486 -11.088 2.918 4 H LYS 2 H LYS 2 -10.514 -8.765 1.969 5 HA LYS 2 HA LYS 2 -11.422 -6.751 3.986 6 HB2 LYS 2 2HB LYS 2 -9.867 -5.155 2.713 7 HB3 LYS 2 1HB LYS 2 -9.085 -6.356 3.741 8 HG2 LYS 2 2HG LYS 2 -9.626 -6.920 0.828 9 HG3 LYS 2 1HG LYS 2 -8.172 -6.058 1.335 10 HD2 LYS 2 2HD LYS 2 -8.427 -8.288 3.064 11 HD3 LYS 2 1HD LYS 2 -8.706 -8.887 1.428 12 HE2 LYS 2 2HE LYS 2 -6.419 -8.977 1.386 13 HE3 LYS 2 1HE LYS 2 -6.587 -7.273 0.962 14 HZ1 LYS 2 3HZ LYS 2 -5.128 -7.217 2.725 15 HZ2 LYS 2 1HZ LYS 2 -5.897 -8.479 3.557 16 HZ3 LYS 2 2HZ LYS 2 -6.613 -6.939 3.502 17 H GLU 3 H GLU 3 -13.413 -6.117 3.285 18 HA GLU 3 HA GLU 3 -14.074 -6.145 0.424 19 HB2 GLU 3 2HB GLU 3 -15.554 -5.715 2.979 20 HB3 GLU 3 1HB GLU 3 -16.224 -4.980 1.522 21 HG2 GLU 3 2HG GLU 3 -17.142 -7.240 1.850 22 HG3 GLU 3 1HG GLU 3 -16.155 -7.178 0.388 23 H CYS 4 H CYS 4 -12.203 -4.114 2.046 24 HA CYS 4 HA CYS 4 -13.300 -1.724 0.630 25 HB2 CYS 4 2HB CYS 4 -12.458 -2.070 3.430 26 HB3 CYS 4 1HB CYS 4 -11.757 -0.659 2.637 27 H ASP 5 H ASP 5 -11.957 -1.296 -1.055 28 HA ASP 5 HA ASP 5 -9.106 -2.069 -0.874 29 HB2 ASP 5 2HB ASP 5 -10.721 -2.381 -2.933 30 HB3 ASP 5 1HB ASP 5 -10.310 -0.696 -3.258 31 H CYS 6 H CYS 6 -10.943 0.603 -0.085 32 HA CYS 6 HA CYS 6 -8.531 2.303 -0.052 33 HB2 CYS 6 2HB CYS 6 -9.561 4.157 -1.212 34 HB3 CYS 6 1HB CYS 6 -9.697 2.737 -2.247 35 H SER 7 H SER 7 -9.162 4.471 1.121 36 HA SER 7 HA SER 7 -11.115 3.772 3.279 37 HB2 SER 7 2HB SER 7 -8.582 3.921 3.823 38 HB3 SER 7 1HB SER 7 -8.794 5.660 3.644 39 HG SER 7 HG SER 7 -9.152 4.522 5.807 40 H SER 8 H SER 8 -10.704 5.783 0.671 41 HA SER 8 HA SER 8 -12.263 7.959 2.006 42 HB2 SER 8 2HB SER 8 -9.982 8.029 0.150 43 HB3 SER 8 1HB SER 8 -11.310 9.092 -0.308 44 HG SER 8 HG SER 8 -11.157 9.517 2.176 45 HA PRO 9 HA PRO 9 -15.422 6.724 -0.862 46 HB2 PRO 9 2HB PRO 9 -17.206 8.703 -0.188 47 HB3 PRO 9 1HB PRO 9 -16.936 7.254 0.796 48 HG2 PRO 9 2HG PRO 9 -16.034 10.052 1.291 49 HG3 PRO 9 1HG PRO 9 -16.343 8.750 2.452 50 HD2 PRO 9 2HD PRO 9 -13.796 9.597 1.540 51 HD3 PRO 9 1HD PRO 9 -14.144 8.110 2.448 52 H GLU 10 H GLU 10 -13.524 9.506 -1.012 53 HA GLU 10 HA GLU 10 -14.975 10.660 -3.332 54 HB2 GLU 10 2HB GLU 10 -13.525 11.827 -1.276 55 HB3 GLU 10 1HB GLU 10 -12.393 11.861 -2.628 56 HG2 GLU 10 2HG GLU 10 -13.784 13.897 -2.602 57 HG3 GLU 10 1HG GLU 10 -14.112 12.932 -4.042 58 H ASN 11 H ASN 11 -12.664 8.323 -2.733 59 HA ASN 11 HA ASN 11 -10.960 8.866 -5.049 60 HB2 ASN 11 2HB ASN 11 -10.556 7.502 -2.742 61 HB3 ASN 11 1HB ASN 11 -10.987 6.170 -3.814 62 HD21 ASN 11 1HD2 ASN 11 -8.471 5.853 -3.151 63 HD22 ASN 11 2HD2 ASN 11 -7.373 6.470 -4.289 64 HA PRO 12 HA PRO 12 -13.902 6.780 -7.697 65 HB2 PRO 12 2HB PRO 12 -12.511 7.245 -10.023 66 HB3 PRO 12 1HB PRO 12 -13.541 8.456 -9.242 67 HG2 PRO 12 2HG PRO 12 -10.565 8.296 -9.321 68 HG3 PRO 12 1HG PRO 12 -11.609 9.716 -9.133 69 HD2 PRO 12 2HD PRO 12 -10.209 8.400 -7.053 70 HD3 PRO 12 1HD PRO 12 -11.502 9.600 -6.845 71 H CYS 13 H CYS 13 -10.425 6.200 -7.599 72 HA CYS 13 HA CYS 13 -10.214 3.909 -9.213 73 HB2 CYS 13 2HB CYS 13 -8.434 5.250 -7.775 74 HB3 CYS 13 1HB CYS 13 -8.766 3.983 -6.591 75 H CYS 14 H CYS 14 -11.685 4.298 -6.067 76 HA CYS 14 HA CYS 14 -12.234 1.357 -6.054 77 HB2 CYS 14 2HB CYS 14 -12.245 1.413 -3.634 78 HB3 CYS 14 1HB CYS 14 -10.743 2.152 -4.187 79 H ASP 15 H ASP 15 -14.345 0.886 -6.301 80 HA ASP 15 HA ASP 15 -16.393 2.816 -6.595 81 HB2 ASP 15 2HB ASP 15 -16.288 0.205 -7.115 82 HB3 ASP 15 1HB ASP 15 -17.065 0.097 -5.537 83 H ALA 16 H ALA 16 -17.605 3.922 -5.095 84 HA ALA 16 HA ALA 16 -16.901 3.708 -2.281 85 HB1 ALA 16 1HB ALA 16 -19.081 5.271 -3.698 86 HB2 ALA 16 2HB ALA 16 -17.502 5.883 -3.200 87 HB3 ALA 16 3HB ALA 16 -18.697 5.429 -1.984 88 H ALA 17 H ALA 17 -19.624 2.691 -4.295 89 HA ALA 17 HA ALA 17 -21.389 1.896 -2.208 90 HB1 ALA 17 1HB ALA 17 -22.641 0.876 -3.876 91 HB2 ALA 17 2HB ALA 17 -21.214 0.292 -4.734 92 HB3 ALA 17 3HB ALA 17 -21.677 1.991 -4.845 93 H THR 18 H THR 18 -18.805 0.109 -3.893 94 HA THR 18 HA THR 18 -19.163 -2.134 -1.968 95 HB THR 18 HB THR 18 -17.815 -3.445 -3.481 96 HG1 THR 18 1HG THR 18 -16.547 -2.553 -4.943 97 HG21 THR 18 3HG2 THR 18 -20.111 -1.905 -4.435 98 HG22 THR 18 1HG2 THR 18 -19.765 -3.625 -4.606 99 HG23 THR 18 2HG2 THR 18 -19.079 -2.470 -5.750 100 H CYS 19 H CYS 19 -17.242 0.621 -2.519 101 HA CYS 19 HA CYS 19 -15.355 1.448 -1.398 102 HB2 CYS 19 2HB CYS 19 -16.569 0.649 0.622 103 HB3 CYS 19 1HB CYS 19 -15.823 -0.934 0.423 104 H LYS 20 H LYS 20 -15.200 -0.726 -3.522 105 HA LYS 20 HA LYS 20 -12.397 -1.543 -2.873 106 HB2 LYS 20 2HB LYS 20 -14.633 -3.240 -3.974 107 HB3 LYS 20 1HB LYS 20 -12.941 -3.659 -4.244 108 HG2 LYS 20 2HG LYS 20 -13.093 -3.044 -1.517 109 HG3 LYS 20 1HG LYS 20 -14.550 -3.984 -1.847 110 HD2 LYS 20 2HD LYS 20 -12.895 -5.608 -1.337 111 HD3 LYS 20 1HD LYS 20 -13.004 -5.619 -3.097 112 HE2 LYS 20 2HE LYS 20 -10.995 -4.411 -3.352 113 HE3 LYS 20 1HE LYS 20 -11.022 -3.841 -1.684 114 HZ1 LYS 20 3HZ LYS 20 -11.031 -6.582 -1.519 115 HZ2 LYS 20 1HZ LYS 20 -9.721 -5.552 -1.202 116 HZ3 LYS 20 2HZ LYS 20 -9.911 -6.230 -2.747 117 H LEU 21 H LEU 21 -11.287 -2.323 -5.011 118 HA LEU 21 HA LEU 21 -11.249 -0.132 -6.825 119 HB2 LEU 21 2HB LEU 21 -10.167 -2.941 -6.930 120 HB3 LEU 21 1HB LEU 21 -10.023 -1.874 -8.329 121 HG LEU 21 HG LEU 21 -9.229 -0.818 -5.642 122 HD11 LEU 21 1HD1 LEU 21 -8.162 -3.218 -6.622 123 HD12 LEU 21 2HD1 LEU 21 -7.449 -2.180 -5.388 124 HD13 LEU 21 3HD1 LEU 21 -6.986 -1.985 -7.079 125 HD21 LEU 21 3HD2 LEU 21 -9.193 0.109 -8.271 126 HD22 LEU 21 1HD2 LEU 21 -7.517 -0.349 -7.966 127 HD23 LEU 21 2HD2 LEU 21 -8.319 0.818 -6.914 128 H ARG 22 H ARG 22 -12.842 0.405 -8.218 129 HA ARG 22 HA ARG 22 -14.870 -1.504 -9.057 130 HB2 ARG 22 2HB ARG 22 -14.714 1.263 -8.895 131 HB3 ARG 22 1HB ARG 22 -14.702 0.957 -10.632 132 HG2 ARG 22 2HG ARG 22 -16.637 -0.739 -9.269 133 HG3 ARG 22 1HG ARG 22 -16.952 0.970 -8.971 134 HD2 ARG 22 2HD ARG 22 -17.210 1.454 -11.257 135 HD3 ARG 22 1HD ARG 22 -16.362 -0.010 -11.756 136 HE ARG 22 HE ARG 22 -18.444 -1.202 -10.702 137 HH11 ARG 22 1HH1 ARG 22 -18.232 1.455 -12.832 138 HH12 ARG 22 2HH1 ARG 22 -19.940 1.575 -13.093 139 HH21 ARG 22 1HH2 ARG 22 -20.736 -0.877 -10.777 140 HH22 ARG 22 2HH2 ARG 22 -21.357 0.254 -11.931 141 HA PRO 23 HA PRO 23 -12.655 -1.061 -13.271 142 HB2 PRO 23 2HB PRO 23 -10.238 0.257 -13.292 143 HB3 PRO 23 1HB PRO 23 -11.796 1.053 -13.573 144 HG2 PRO 23 2HG PRO 23 -10.055 1.137 -11.155 145 HG3 PRO 23 1HG PRO 23 -11.233 2.327 -11.732 146 HD2 PRO 23 2HD PRO 23 -11.632 0.478 -9.633 147 HD3 PRO 23 1HD PRO 23 -12.898 1.437 -10.430 148 H GLY 24 H GLY 24 -9.920 -1.480 -13.934 149 HA2 GLY 24 2HA GLY 24 -9.442 -4.011 -12.456 150 HA3 GLY 24 1HA GLY 24 -8.755 -3.597 -14.025 151 H ALA 25 H ALA 25 -8.676 -1.133 -11.599 152 HA ALA 25 HA ALA 25 -5.798 -1.004 -11.671 153 HB1 ALA 25 1HB ALA 25 -6.435 0.439 -9.453 154 HB2 ALA 25 2HB ALA 25 -7.993 0.427 -10.279 155 HB3 ALA 25 3HB ALA 25 -6.567 1.071 -11.094 156 H GLN 26 H GLN 26 -4.282 -1.759 -10.145 157 HA GLN 26 HA GLN 26 -5.138 -4.029 -8.539 158 HB2 GLN 26 2HB GLN 26 -2.700 -3.078 -9.631 159 HB3 GLN 26 1HB GLN 26 -2.477 -3.158 -7.883 160 HG2 GLN 26 2HG GLN 26 -2.675 -5.433 -7.827 161 HG3 GLN 26 1HG GLN 26 -3.890 -5.458 -9.104 162 HE21 GLN 26 1HE2 GLN 26 -0.489 -4.240 -9.002 163 HE22 GLN 26 2HE2 GLN 26 0.016 -5.115 -10.367 164 H CYS 27 H CYS 27 -4.851 -0.653 -7.958 165 HA CYS 27 HA CYS 27 -5.745 -0.959 -5.225 166 HB2 CYS 27 2HB CYS 27 -3.670 0.173 -4.242 167 HB3 CYS 27 1HB CYS 27 -3.498 -1.526 -4.686 168 H GLY 28 H GLY 28 -6.593 0.979 -4.452 169 HA2 GLY 28 2HA GLY 28 -6.556 3.243 -6.367 170 HA3 GLY 28 1HA GLY 28 -7.684 3.055 -5.025 171 H GLU 29 H GLU 29 -5.511 2.317 -3.185 172 HA GLU 29 HA GLU 29 -3.842 4.747 -3.077 173 HB2 GLU 29 2HB GLU 29 -4.638 5.479 -0.976 174 HB3 GLU 29 1HB GLU 29 -6.098 5.127 -1.886 175 HG2 GLU 29 2HG GLU 29 -6.364 2.998 -0.789 176 HG3 GLU 29 1HG GLU 29 -4.784 3.138 -0.017 177 H GLY 30 H GLY 30 -2.119 4.484 -1.363 178 HA2 GLY 30 1HA GLY 30 -1.646 2.289 0.249 179 HA3 GLY 30 2HA GLY 30 -1.198 1.719 -1.351 180 H LEU 31 H LEU 31 0.713 1.929 0.708 181 HA LEU 31 HA LEU 31 2.178 4.400 0.610 182 HB2 LEU 31 2HB LEU 31 2.607 1.674 1.642 183 HB3 LEU 31 1HB LEU 31 4.083 2.460 1.091 184 HG LEU 31 HG LEU 31 3.733 2.984 3.446 185 HD11 LEU 31 1HD1 LEU 31 4.485 5.072 3.066 186 HD12 LEU 31 2HD1 LEU 31 2.889 5.595 2.527 187 HD13 LEU 31 3HD1 LEU 31 4.018 4.878 1.377 188 HD21 LEU 31 3HD2 LEU 31 1.607 3.059 4.195 189 HD22 LEU 31 1HD2 LEU 31 0.980 3.201 2.552 190 HD23 LEU 31 2HD2 LEU 31 1.464 4.647 3.440 191 H CYS 32 H CYS 32 1.795 1.773 -1.586 192 HA CYS 32 HA CYS 32 3.778 3.054 -3.380 193 HB2 CYS 32 2HB CYS 32 3.698 0.087 -2.804 194 HB3 CYS 32 1HB CYS 32 4.741 0.878 -3.989 195 H CYS 33 H CYS 33 1.135 3.466 -3.786 196 HA CYS 33 HA CYS 33 0.472 1.544 -5.983 197 HB2 CYS 33 2HB CYS 33 -1.209 1.635 -4.121 198 HB3 CYS 33 1HB CYS 33 -1.470 3.337 -4.494 199 H GLU 34 H GLU 34 1.455 2.569 -7.712 200 HA GLU 34 HA GLU 34 0.893 5.461 -8.129 201 HB2 GLU 34 2HB GLU 34 3.020 3.567 -9.060 202 HB3 GLU 34 1HB GLU 34 2.614 4.943 -10.087 203 HG2 GLU 34 2HG GLU 34 2.814 6.322 -7.871 204 HG3 GLU 34 1HG GLU 34 3.742 4.934 -7.301 205 H GLN 35 H GLN 35 -0.418 6.093 -9.808 206 HA GLN 35 HA GLN 35 -1.926 5.872 -11.584 207 HB2 GLN 35 2HB GLN 35 0.277 3.981 -12.212 208 HB3 GLN 35 1HB GLN 35 -1.240 3.707 -13.069 209 HG2 GLN 35 2HG GLN 35 0.047 6.439 -12.906 210 HG3 GLN 35 1HG GLN 35 0.418 5.298 -14.199 211 HE21 GLN 35 1HE2 GLN 35 -1.871 7.655 -13.122 212 HE22 GLN 35 2HE2 GLN 35 -3.036 7.390 -14.328 213 H CYS 36 H CYS 36 -2.342 4.537 -9.010 214 HA CYS 36 HA CYS 36 -3.902 3.077 -8.057 215 HB2 CYS 36 2HB CYS 36 -4.855 3.331 -10.883 216 HB3 CYS 36 1HB CYS 36 -5.525 2.045 -9.886 217 H LYS 37 H LYS 37 -1.305 2.196 -9.494 218 HA LYS 37 HA LYS 37 -2.026 -0.704 -9.635 219 HB2 LYS 37 2HB LYS 37 -0.510 0.998 -11.460 220 HB3 LYS 37 1HB LYS 37 0.410 -0.420 -10.953 221 HG2 LYS 37 2HG LYS 37 -0.776 -1.251 -12.792 222 HG3 LYS 37 1HG LYS 37 -1.821 -1.709 -11.448 223 HD2 LYS 37 2HD LYS 37 -3.490 -0.537 -12.398 224 HD3 LYS 37 1HD LYS 37 -2.549 0.934 -12.158 225 HE2 LYS 37 2HE LYS 37 -1.705 0.911 -14.324 226 HE3 LYS 37 1HE LYS 37 -1.898 -0.833 -14.491 227 HZ1 LYS 37 3HZ LYS 37 -4.432 0.121 -14.081 228 HZ2 LYS 37 1HZ LYS 37 -3.775 -0.387 -15.560 229 HZ3 LYS 37 2HZ LYS 37 -3.726 1.256 -15.131 230 H PHE 38 H PHE 38 -0.178 -2.147 -8.995 231 HA PHE 38 HA PHE 38 0.959 -1.196 -6.478 232 HB2 PHE 38 2HB PHE 38 1.022 -3.806 -7.986 233 HB3 PHE 38 1HB PHE 38 1.999 -3.563 -6.537 234 HD1 PHE 38 1HD PHE 38 0.082 -1.773 -5.001 235 HD2 PHE 38 2HD PHE 38 -0.554 -5.402 -7.213 236 HE1 PHE 38 1HE PHE 38 -1.901 -2.277 -3.610 237 HE2 PHE 38 2HE PHE 38 -2.538 -5.904 -5.813 238 HZ PHE 38 HZ PHE 38 -3.211 -4.341 -4.011 239 H SER 39 H SER 39 2.943 -0.269 -6.275 240 HA SER 39 HA SER 39 4.663 0.167 -8.526 241 HB2 SER 39 2HB SER 39 5.689 0.241 -5.693 242 HB3 SER 39 1HB SER 39 6.075 1.305 -7.043 243 HG SER 39 HG SER 39 4.095 2.267 -6.840 244 H ARG 40 H ARG 40 7.096 -0.655 -6.676 245 HA ARG 40 HA ARG 40 7.015 -3.546 -7.431 246 HB2 ARG 40 2HB ARG 40 9.278 -3.441 -8.193 247 HB3 ARG 40 1HB ARG 40 8.461 -2.058 -8.924 248 HG2 ARG 40 2HG ARG 40 9.260 -0.751 -6.827 249 HG3 ARG 40 1HG ARG 40 10.386 -2.092 -6.606 250 HD2 ARG 40 2HD ARG 40 10.193 -0.872 -9.326 251 HD3 ARG 40 1HD ARG 40 11.043 0.034 -8.074 252 HE ARG 40 HE ARG 40 11.814 -2.713 -8.970 253 HH11 ARG 40 1HH1 ARG 40 12.409 -0.626 -6.459 254 HH12 ARG 40 2HH1 ARG 40 14.113 -0.477 -6.729 255 HH21 ARG 40 1HH2 ARG 40 14.043 -2.111 -9.787 256 HH22 ARG 40 2HH2 ARG 40 15.038 -1.317 -8.612 257 H ALA 41 H ALA 41 8.272 -4.944 -6.048 258 HA ALA 41 HA ALA 41 8.201 -4.205 -3.264 259 HB1 ALA 41 1HB ALA 41 8.645 -6.422 -2.857 260 HB2 ALA 41 2HB ALA 41 9.886 -6.506 -4.107 261 HB3 ALA 41 3HB ALA 41 8.181 -6.586 -4.551 262 H GLY 42 H GLY 42 10.238 -4.432 -1.860 263 HA2 GLY 42 2HA GLY 42 12.438 -3.718 -1.375 264 HA3 GLY 42 1HA GLY 42 12.807 -3.908 -3.092 265 H LYS 43 H LYS 43 10.032 -2.060 -2.177 266 HA LYS 43 HA LYS 43 11.405 0.386 -3.196 267 HB2 LYS 43 2HB LYS 43 9.518 0.202 -4.488 268 HB3 LYS 43 1HB LYS 43 8.623 -0.670 -3.249 269 HG2 LYS 43 2HG LYS 43 7.855 1.256 -2.258 270 HG3 LYS 43 1HG LYS 43 9.285 2.177 -2.691 271 HD2 LYS 43 2HD LYS 43 7.979 1.381 -5.106 272 HD3 LYS 43 1HD LYS 43 6.780 2.116 -4.041 273 HE2 LYS 43 2HE LYS 43 9.467 3.370 -4.664 274 HE3 LYS 43 1HE LYS 43 7.979 3.766 -5.522 275 HZ1 LYS 43 3HZ LYS 43 8.161 5.352 -3.833 276 HZ2 LYS 43 1HZ LYS 43 8.620 4.208 -2.668 277 HZ3 LYS 43 2HZ LYS 43 7.022 4.239 -3.244 278 H ILE 44 H ILE 44 12.044 1.865 -1.736 279 HA ILE 44 HA ILE 44 11.619 1.728 1.041 280 HB ILE 44 HB ILE 44 13.388 3.115 0.187 281 HG12 ILE 44 2HG1 ILE 44 12.789 5.363 1.224 282 HG13 ILE 44 1HG1 ILE 44 11.167 4.721 1.482 283 HG21 ILE 44 1HG2 ILE 44 11.752 3.700 -1.865 284 HG22 ILE 44 2HG2 ILE 44 13.150 4.695 -1.459 285 HG23 ILE 44 3HG2 ILE 44 11.541 5.170 -0.916 286 HD11 ILE 44 3HD1 ILE 44 12.910 4.497 3.403 287 HD12 ILE 44 1HD1 ILE 44 13.578 3.190 2.425 288 HD13 ILE 44 2HD1 ILE 44 11.914 3.098 3.002 289 H CYS 45 H CYS 45 9.367 1.349 1.413 290 HA CYS 45 HA CYS 45 7.296 3.148 0.505 291 HB2 CYS 45 2HB CYS 45 5.973 2.050 2.385 292 HB3 CYS 45 1HB CYS 45 6.647 0.935 1.195 293 H ARG 46 H ARG 46 9.211 2.879 3.479 294 HA ARG 46 HA ARG 46 8.699 5.722 4.053 295 HB2 ARG 46 2HB ARG 46 7.340 3.540 5.449 296 HB3 ARG 46 1HB ARG 46 8.260 4.567 6.550 297 HG2 ARG 46 2HG ARG 46 6.842 6.311 6.277 298 HG3 ARG 46 1HG ARG 46 6.774 6.089 4.528 299 HD2 ARG 46 2HD ARG 46 4.578 5.593 5.190 300 HD3 ARG 46 1HD ARG 46 5.320 3.996 5.097 301 HE ARG 46 HE ARG 46 5.729 4.420 7.669 302 HH11 ARG 46 1HH2 ARG 46 3.092 3.198 6.788 303 HH12 ARG 46 2HH2 ARG 46 1.956 4.187 7.644 304 HH21 ARG 46 1HH1 ARG 46 4.255 6.684 8.345 305 HH22 ARG 46 2HH1 ARG 46 2.615 6.160 8.525 306 H ILE 47 H ILE 47 10.041 6.376 6.042 307 HA ILE 47 HA ILE 47 12.635 4.949 5.878 308 HB ILE 47 HB ILE 47 12.260 7.537 5.656 309 HG12 ILE 47 2HG1 ILE 47 14.452 7.375 7.493 310 HG13 ILE 47 1HG1 ILE 47 14.410 5.891 6.539 311 HG21 ILE 47 1HG2 ILE 47 12.299 8.774 7.707 312 HG22 ILE 47 2HG2 ILE 47 12.534 7.309 8.660 313 HG23 ILE 47 3HG2 ILE 47 10.990 7.601 7.860 314 HD11 ILE 47 3HD1 ILE 47 15.699 7.946 5.581 315 HD12 ILE 47 1HD1 ILE 47 14.094 8.571 5.202 316 HD13 ILE 47 2HD1 ILE 47 14.634 7.044 4.504 317 H ALA 48 H ALA 48 13.811 5.343 8.266 318 HA ALA 48 HA ALA 48 11.956 4.034 10.215 319 HB1 ALA 48 1HB ALA 48 14.922 3.616 9.754 320 HB2 ALA 48 2HB ALA 48 13.630 2.439 9.517 321 HB3 ALA 48 3HB ALA 48 14.052 2.970 11.145 322 H ARG 49 H ARG 49 13.624 4.211 12.469 323 HA ARG 49 HA ARG 49 13.829 7.174 12.803 324 HB2 ARG 49 2HB ARG 49 11.998 6.284 14.139 325 HB3 ARG 49 1HB ARG 49 13.062 5.056 14.828 326 HG2 ARG 49 2HG ARG 49 13.986 6.513 16.304 327 HG3 ARG 49 1HG ARG 49 14.072 7.808 15.108 328 HD2 ARG 49 2HD ARG 49 12.507 8.455 16.860 329 HD3 ARG 49 1HD ARG 49 11.608 8.153 15.373 330 HE ARG 49 HE ARG 49 11.683 5.728 16.851 331 HH11 ARG 49 1HH2 ARG 49 11.238 7.990 18.934 332 HH12 ARG 49 2HH2 ARG 49 9.509 7.965 19.042 333 HH21 ARG 49 1HH1 ARG 49 9.091 6.093 16.154 334 HH22 ARG 49 2HH1 ARG 49 8.293 6.892 17.468 335 H GLY 50 H GLY 50 15.332 4.071 13.403 336 HA2 GLY 50 2HA GLY 50 17.937 4.560 13.253 337 HA3 GLY 50 1HA GLY 50 17.613 5.399 14.767 338 H ASP 51 H ASP 51 17.944 2.325 13.228 339 HA ASP 51 HA ASP 51 18.919 0.768 15.189 340 HB2 ASP 51 2HB ASP 51 16.090 1.374 15.838 341 HB3 ASP 51 1HB ASP 51 16.565 -0.318 15.988 342 H TRP 52 H TRP 52 16.103 0.808 13.070 343 HA TRP 52 HA TRP 52 17.000 -1.825 11.969 344 HB2 TRP 52 2HB TRP 52 14.663 -2.239 11.342 345 HB3 TRP 52 1HB TRP 52 14.765 -1.908 13.071 346 HD1 TRP 52 HD TRP 52 13.386 -0.543 9.834 347 HE1 TRP 52 1HE TRP 52 11.948 1.539 10.324 348 HE3 TRP 52 3HE TRP 52 14.492 0.152 14.767 349 HZ2 TRP 52 2HZ TRP 52 11.346 3.270 12.521 350 HZ3 TRP 52 3HZ TRP 52 13.475 2.020 16.036 351 HH2 TRP 52 HH TRP 52 11.903 3.580 14.919 352 H ASN 53 H ASN 53 16.717 -2.054 9.612 353 HA ASN 53 HA ASN 53 17.685 0.169 8.140 354 HB2 ASN 53 2HB ASN 53 17.236 -2.512 7.612 355 HB3 ASN 53 1HB ASN 53 16.089 -1.701 6.544 356 HD21 ASN 53 1HD2 ASN 53 19.458 -0.946 7.624 357 HD22 ASN 53 2HD2 ASN 53 20.054 -0.683 6.056 358 H ASP 54 H ASP 54 16.189 0.636 5.941 359 HA ASP 54 HA ASP 54 14.074 2.355 6.955 360 HB2 ASP 54 2HB ASP 54 14.527 1.613 4.057 361 HB3 ASP 54 1HB ASP 54 13.845 3.105 4.706 362 H ASP 55 H ASP 55 12.329 1.793 4.550 363 HA ASP 55 HA ASP 55 11.176 -0.829 5.378 364 HB2 ASP 55 2HB ASP 55 9.570 1.712 4.975 365 HB3 ASP 55 1HB ASP 55 8.933 0.132 5.432 366 H ARG 56 H ARG 56 11.141 -2.041 3.558 367 HA ARG 56 HA ARG 56 10.903 -0.694 0.919 368 HB2 ARG 56 2HB ARG 56 11.429 -3.621 1.461 369 HB3 ARG 56 1HB ARG 56 11.742 -2.721 -0.022 370 HG2 ARG 56 2HG ARG 56 13.042 -1.572 2.352 371 HG3 ARG 56 1HG ARG 56 13.608 -3.192 1.943 372 HD2 ARG 56 2HD ARG 56 13.484 -1.979 -0.529 373 HD3 ARG 56 1HD ARG 56 14.012 -0.656 0.513 374 HE ARG 56 HE ARG 56 15.463 -3.258 0.252 375 HH11 ARG 56 1HH1 ARG 56 16.626 -0.925 -1.131 376 HH12 ARG 56 2HH1 ARG 56 17.727 -0.287 0.044 377 HH21 ARG 56 1HH2 ARG 56 16.303 -1.994 2.703 378 HH22 ARG 56 2HH2 ARG 56 17.544 -0.892 2.212 379 H CYS 57 H CYS 57 9.248 -1.175 -0.532 380 HA CYS 57 HA CYS 57 6.762 -2.133 0.660 381 HB2 CYS 57 2HB CYS 57 7.553 -0.670 -1.727 382 HB3 CYS 57 1HB CYS 57 6.394 -1.936 -2.110 383 H THR 58 H THR 58 5.583 -3.975 -0.111 384 HA THR 58 HA THR 58 7.256 -6.274 -0.663 385 HB THR 58 HB THR 58 4.461 -6.795 -1.129 386 HG1 THR 58 1HG THR 58 3.658 -6.001 0.802 387 HG21 THR 58 3HG2 THR 58 5.794 -7.456 1.449 388 HG22 THR 58 1HG2 THR 58 6.531 -8.094 -0.021 389 HG23 THR 58 2HG2 THR 58 4.857 -8.489 0.370 390 H GLY 59 H GLY 59 5.624 -3.960 -2.615 391 HA2 GLY 59 2HA GLY 59 5.994 -3.771 -4.983 392 HA3 GLY 59 1HA GLY 59 6.436 -5.476 -5.026 393 H GLN 60 H GLN 60 4.081 -6.393 -3.554 394 HA GLN 60 HA GLN 60 2.066 -5.958 -5.717 395 HB2 GLN 60 2HB GLN 60 1.191 -8.167 -5.161 396 HB3 GLN 60 1HB GLN 60 2.925 -8.285 -5.458 397 HG2 GLN 60 2HG GLN 60 3.006 -7.806 -2.820 398 HG3 GLN 60 1HG GLN 60 1.416 -8.568 -2.902 399 HE21 GLN 60 1HE2 GLN 60 1.618 -10.590 -4.676 400 HE22 GLN 60 2HE2 GLN 60 2.878 -11.660 -4.287 401 H SER 61 H SER 61 2.714 -5.102 -2.552 402 HA SER 61 HA SER 61 -0.208 -4.964 -1.910 403 HB2 SER 61 2HB SER 61 2.239 -5.259 -0.192 404 HB3 SER 61 1HB SER 61 0.782 -4.531 0.479 405 HG SER 61 HG SER 61 1.224 -7.022 0.392 406 H ALA 62 H ALA 62 -1.064 -2.956 -2.087 407 HA ALA 62 HA ALA 62 0.351 -0.596 -2.712 408 HB1 ALA 62 1HB ALA 62 -2.347 -1.287 -2.134 409 HB2 ALA 62 2HB ALA 62 -1.752 0.224 -2.820 410 HB3 ALA 62 3HB ALA 62 -1.934 0.058 -1.074 411 H ASP 63 H ASP 63 -0.567 -1.918 0.457 412 HA ASP 63 HA ASP 63 0.604 0.344 1.885 413 HB2 ASP 63 2HB ASP 63 -0.561 -2.315 2.687 414 HB3 ASP 63 1HB ASP 63 0.358 -1.364 3.855 415 H CYS 64 H CYS 64 2.235 -0.554 3.768 416 HA CYS 64 HA CYS 64 4.311 -2.176 2.365 417 HB2 CYS 64 2HB CYS 64 5.150 0.003 2.105 418 HB3 CYS 64 1HB CYS 64 4.553 0.523 3.676 419 HA PRO 65 HA PRO 65 4.387 -4.398 6.117 420 HB2 PRO 65 2HB PRO 65 6.673 -5.794 5.552 421 HB3 PRO 65 1HB PRO 65 5.108 -6.185 4.841 422 HG2 PRO 65 2HG PRO 65 7.479 -4.874 3.610 423 HG3 PRO 65 1HG PRO 65 6.183 -5.803 2.838 424 HD2 PRO 65 2HD PRO 65 6.414 -2.991 2.864 425 HD3 PRO 65 1HD PRO 65 4.973 -3.919 2.399 426 H ARG 66 H ARG 66 4.884 -2.696 7.625 427 HA ARG 66 HA ARG 66 7.620 -1.671 7.827 428 HB2 ARG 66 2HB ARG 66 6.631 -0.557 9.925 429 HB3 ARG 66 1HB ARG 66 5.936 -0.091 8.372 430 HG2 ARG 66 2HG ARG 66 4.634 -2.451 9.498 431 HG3 ARG 66 1HG ARG 66 4.517 -1.052 10.565 432 HD2 ARG 66 2HD ARG 66 3.967 0.146 8.210 433 HD3 ARG 66 1HD ARG 66 3.357 -1.472 7.861 434 HE ARG 66 HE ARG 66 2.215 -0.978 10.283 435 HH11 ARG 66 1HH1 ARG 66 2.919 1.849 8.837 436 HH12 ARG 66 2HH1 ARG 66 1.298 2.318 8.449 437 HH21 ARG 66 1HH2 ARG 66 -0.058 -0.790 9.173 438 HH22 ARG 66 2HH2 ARG 66 -0.386 0.825 8.639 439 H ASN 67 H ASN 67 8.944 -1.912 9.735 440 HA ASN 67 HA ASN 67 9.056 -4.618 10.731 441 HB2 ASN 67 2HB ASN 67 10.947 -3.780 12.072 442 HB3 ASN 67 1HB ASN 67 11.057 -3.181 10.422 443 HD21 ASN 67 1HD2 ASN 67 10.743 -2.239 13.750 444 HD22 ASN 67 2HD2 ASN 67 10.631 -0.569 13.487 445 HA PRO 68 HA PRO 68 6.618 -4.242 14.378 446 HB2 PRO 68 2HB PRO 68 8.023 -5.856 16.109 447 HB3 PRO 68 1HB PRO 68 7.041 -6.473 14.769 448 HG2 PRO 68 2HG PRO 68 9.997 -6.328 15.028 449 HG3 PRO 68 1HG PRO 68 9.011 -7.393 14.012 450 HD2 PRO 68 2HD PRO 68 10.415 -5.070 13.172 451 HD3 PRO 68 1HD PRO 68 9.254 -6.005 12.216 452 H TRP 69 H TRP 69 8.860 -2.196 14.116 453 HA TRP 69 HA TRP 69 9.009 -1.516 17.006 454 HB2 TRP 69 2HB TRP 69 11.339 -1.044 15.146 455 HB3 TRP 69 1HB TRP 69 11.326 -1.067 16.911 456 HD1 TRP 69 HD TRP 69 10.092 -3.605 17.748 457 HE1 TRP 69 1HE TRP 69 10.971 -5.935 17.110 458 HE3 TRP 69 3HE TRP 69 12.783 -2.411 13.577 459 HZ2 TRP 69 2HZ TRP 69 12.583 -7.139 15.098 460 HZ3 TRP 69 3HZ TRP 69 13.973 -4.182 12.314 461 HH2 TRP 69 HH TRP 69 13.867 -6.541 13.073 462 H ASN 70 H ASN 70 8.159 -0.554 13.902 463 HA ASN 70 HA ASN 70 8.206 2.310 14.752 464 HB2 ASN 70 2HB ASN 70 8.489 2.933 12.384 465 HB3 ASN 70 1HB ASN 70 9.818 1.910 12.923 466 HD21 ASN 70 1HD2 ASN 70 9.529 1.873 10.242 467 HD22 ASN 70 2HD2 ASN 70 8.754 0.462 9.705 468 H GLY 71 H GLY 71 6.657 3.157 12.462 469 HA2 GLY 71 2HA GLY 71 4.235 1.614 12.230 470 HA3 GLY 71 1HA GLY 71 4.032 2.905 13.415 Start of MODEL 8 1 H GLY 1 1HT GLY 1 -16.647 -5.861 6.856 2 HA2 GLY 1 1HA GLY 1 -14.938 -4.293 6.053 3 HA3 GLY 1 2HA GLY 1 -13.772 -5.152 7.058 4 H LYS 2 H LYS 2 -16.465 -6.407 5.076 5 HA LYS 2 HA LYS 2 -14.431 -8.024 3.590 6 HB2 LYS 2 2HB LYS 2 -17.074 -8.720 4.773 7 HB3 LYS 2 1HB LYS 2 -16.685 -9.451 3.215 8 HG2 LYS 2 2HG LYS 2 -14.471 -10.166 4.201 9 HG3 LYS 2 1HG LYS 2 -15.066 -9.622 5.769 10 HD2 LYS 2 2HD LYS 2 -15.638 -11.893 5.788 11 HD3 LYS 2 1HD LYS 2 -17.129 -11.138 5.222 12 HE2 LYS 2 2HE LYS 2 -16.040 -11.470 2.843 13 HE3 LYS 2 1HE LYS 2 -15.094 -12.707 3.672 14 HZ1 LYS 2 3HZ LYS 2 -16.898 -14.000 4.003 15 HZ2 LYS 2 1HZ LYS 2 -17.458 -13.195 2.620 16 HZ3 LYS 2 2HZ LYS 2 -17.967 -12.689 4.159 17 H GLU 3 H GLU 3 -15.194 -5.404 2.788 18 HA GLU 3 HA GLU 3 -15.913 -5.868 0.049 19 HB2 GLU 3 2HB GLU 3 -18.155 -6.145 1.320 20 HB3 GLU 3 1HB GLU 3 -18.068 -4.403 1.575 21 HG2 GLU 3 2HG GLU 3 -18.653 -3.965 -0.563 22 HG3 GLU 3 1HG GLU 3 -17.497 -5.139 -1.194 23 H CYS 4 H CYS 4 -13.855 -4.506 1.358 24 HA CYS 4 HA CYS 4 -14.122 -1.885 0.116 25 HB2 CYS 4 2HB CYS 4 -15.174 -1.379 2.255 26 HB3 CYS 4 1HB CYS 4 -13.830 -2.118 3.126 27 H ASP 5 H ASP 5 -12.192 -1.589 -0.836 28 HA ASP 5 HA ASP 5 -9.796 -2.886 0.377 29 HB2 ASP 5 2HB ASP 5 -10.685 -3.281 -2.097 30 HB3 ASP 5 1HB ASP 5 -9.807 -1.783 -2.409 31 H CYS 6 H CYS 6 -11.267 0.146 -0.233 32 HA CYS 6 HA CYS 6 -8.701 1.498 0.481 33 HB2 CYS 6 2HB CYS 6 -9.156 3.298 -1.032 34 HB3 CYS 6 1HB CYS 6 -9.383 1.813 -1.954 35 H SER 7 H SER 7 -8.902 2.713 2.305 36 HA SER 7 HA SER 7 -11.525 2.982 3.569 37 HB2 SER 7 2HB SER 7 -9.883 2.642 5.178 38 HB3 SER 7 1HB SER 7 -8.695 3.620 4.321 39 HG SER 7 HG SER 7 -10.265 4.354 6.298 40 H SER 8 H SER 8 -9.562 4.907 1.487 41 HA SER 8 HA SER 8 -10.823 7.435 2.312 42 HB2 SER 8 2HB SER 8 -9.293 7.295 -0.225 43 HB3 SER 8 1HB SER 8 -9.197 8.472 1.083 44 HG SER 8 HG SER 8 -7.561 6.499 0.623 45 HA PRO 9 HA PRO 9 -14.133 6.612 -0.589 46 HB2 PRO 9 2HB PRO 9 -15.633 8.797 0.146 47 HB3 PRO 9 1HB PRO 9 -15.606 7.278 1.058 48 HG2 PRO 9 2HG PRO 9 -14.319 9.886 1.716 49 HG3 PRO 9 1HG PRO 9 -14.852 8.593 2.802 50 HD2 PRO 9 2HD PRO 9 -12.183 9.091 2.002 51 HD3 PRO 9 1HD PRO 9 -12.775 7.625 2.812 52 H GLU 10 H GLU 10 -12.209 9.511 -0.276 53 HA GLU 10 HA GLU 10 -13.213 10.617 -2.834 54 HB2 GLU 10 2HB GLU 10 -12.348 11.864 -0.582 55 HB3 GLU 10 1HB GLU 10 -10.846 11.823 -1.506 56 HG2 GLU 10 2HG GLU 10 -12.803 12.560 -3.371 57 HG3 GLU 10 1HG GLU 10 -13.207 13.471 -1.915 58 H ASN 11 H ASN 11 -11.799 8.036 -2.741 59 HA ASN 11 HA ASN 11 -9.274 8.720 -4.163 60 HB2 ASN 11 2HB ASN 11 -8.688 7.208 -2.489 61 HB3 ASN 11 1HB ASN 11 -10.223 6.349 -2.587 62 HD21 ASN 11 1HD2 ASN 11 -8.986 4.302 -2.784 63 HD22 ASN 11 2HD2 ASN 11 -8.270 3.880 -4.262 64 HA PRO 12 HA PRO 12 -11.499 7.533 -7.837 65 HB2 PRO 12 2HB PRO 12 -9.399 7.942 -9.562 66 HB3 PRO 12 1HB PRO 12 -10.394 9.252 -8.906 67 HG2 PRO 12 2HG PRO 12 -7.614 8.465 -8.178 68 HG3 PRO 12 1HG PRO 12 -8.406 10.044 -8.041 69 HD2 PRO 12 2HD PRO 12 -7.962 8.214 -5.922 70 HD3 PRO 12 1HD PRO 12 -9.016 9.643 -5.869 71 H CYS 13 H CYS 13 -8.189 6.325 -7.239 72 HA CYS 13 HA CYS 13 -8.132 4.169 -9.023 73 HB2 CYS 13 2HB CYS 13 -7.018 4.375 -6.213 74 HB3 CYS 13 1HB CYS 13 -6.627 3.060 -7.318 75 H CYS 14 H CYS 14 -9.892 4.466 -5.981 76 HA CYS 14 HA CYS 14 -10.889 1.684 -6.412 77 HB2 CYS 14 2HB CYS 14 -11.181 1.427 -4.086 78 HB3 CYS 14 1HB CYS 14 -9.644 2.274 -4.228 79 H ASP 15 H ASP 15 -13.149 1.691 -4.925 80 HA ASP 15 HA ASP 15 -14.842 3.817 -6.175 81 HB2 ASP 15 2HB ASP 15 -14.981 1.393 -7.108 82 HB3 ASP 15 1HB ASP 15 -15.810 1.023 -5.600 83 H ALA 16 H ALA 16 -15.810 5.026 -4.631 84 HA ALA 16 HA ALA 16 -15.804 4.272 -1.843 85 HB1 ALA 16 1HB ALA 16 -15.981 6.645 -3.076 86 HB2 ALA 16 2HB ALA 16 -16.621 6.394 -1.452 87 HB3 ALA 16 3HB ALA 16 -17.703 6.346 -2.844 88 H ALA 17 H ALA 17 -18.106 3.978 -4.480 89 HA ALA 17 HA ALA 17 -20.488 3.514 -3.032 90 HB1 ALA 17 1HB ALA 17 -19.951 1.770 -5.386 91 HB2 ALA 17 2HB ALA 17 -19.885 3.510 -5.658 92 HB3 ALA 17 3HB ALA 17 -21.357 2.771 -5.029 93 H THR 18 H THR 18 -18.136 1.075 -4.197 94 HA THR 18 HA THR 18 -19.265 -0.827 -2.201 95 HB THR 18 HB THR 18 -19.171 -1.969 -4.232 96 HG1 THR 18 1HG THR 18 -16.512 -2.481 -3.560 97 HG21 THR 18 3HG2 THR 18 -18.126 -0.232 -5.560 98 HG22 THR 18 1HG2 THR 18 -17.239 -1.735 -5.814 99 HG23 THR 18 2HG2 THR 18 -16.579 -0.491 -4.753 100 H CYS 19 H CYS 19 -16.814 1.407 -2.449 101 HA CYS 19 HA CYS 19 -14.947 1.817 -1.093 102 HB2 CYS 19 2HB CYS 19 -16.652 0.608 0.573 103 HB3 CYS 19 1HB CYS 19 -15.430 -0.658 0.510 104 H LYS 20 H LYS 20 -15.104 -0.381 -3.347 105 HA LYS 20 HA LYS 20 -12.438 -1.576 -2.666 106 HB2 LYS 20 2HB LYS 20 -14.626 -2.826 -4.358 107 HB3 LYS 20 1HB LYS 20 -13.033 -3.522 -4.053 108 HG2 LYS 20 2HG LYS 20 -14.152 -2.837 -1.523 109 HG3 LYS 20 1HG LYS 20 -15.388 -3.712 -2.426 110 HD2 LYS 20 2HD LYS 20 -12.602 -4.784 -2.505 111 HD3 LYS 20 1HD LYS 20 -13.522 -5.000 -1.016 112 HE2 LYS 20 2HE LYS 20 -15.419 -5.745 -2.751 113 HE3 LYS 20 1HE LYS 20 -14.006 -6.151 -3.724 114 HZ1 LYS 20 3HZ LYS 20 -13.224 -7.209 -1.479 115 HZ2 LYS 20 1HZ LYS 20 -14.247 -8.060 -2.531 116 HZ3 LYS 20 2HZ LYS 20 -14.893 -7.276 -1.168 117 H LEU 21 H LEU 21 -11.542 -2.479 -5.013 118 HA LEU 21 HA LEU 21 -10.733 -0.152 -6.425 119 HB2 LEU 21 2HB LEU 21 -10.541 -3.086 -6.847 120 HB3 LEU 21 1HB LEU 21 -10.321 -2.075 -8.278 121 HG LEU 21 HG LEU 21 -8.864 -0.809 -6.227 122 HD11 LEU 21 1HD1 LEU 21 -9.179 -3.461 -5.473 123 HD12 LEU 21 2HD1 LEU 21 -7.888 -2.387 -4.933 124 HD13 LEU 21 3HD1 LEU 21 -7.623 -3.461 -6.306 125 HD21 LEU 21 3HD2 LEU 21 -8.441 -2.069 -8.826 126 HD22 LEU 21 1HD2 LEU 21 -7.037 -2.248 -7.773 127 HD23 LEU 21 2HD2 LEU 21 -7.667 -0.642 -8.138 128 H ARG 22 H ARG 22 -11.658 0.990 -8.084 129 HA ARG 22 HA ARG 22 -14.345 0.161 -8.979 130 HB2 ARG 22 2HB ARG 22 -13.064 2.649 -8.598 131 HB3 ARG 22 1HB ARG 22 -13.355 2.512 -10.332 132 HG2 ARG 22 2HG ARG 22 -15.661 1.558 -8.897 133 HG3 ARG 22 1HG ARG 22 -15.235 3.172 -8.328 134 HD2 ARG 22 2HD ARG 22 -15.096 3.895 -10.743 135 HD3 ARG 22 1HD ARG 22 -15.763 2.323 -11.186 136 HE ARG 22 HE ARG 22 -17.469 3.510 -9.233 137 HH11 ARG 22 1HH2 ARG 22 -16.736 5.807 -11.145 138 HH12 ARG 22 2HH2 ARG 22 -18.043 5.709 -12.277 139 HH21 ARG 22 1HH1 ARG 22 -19.024 2.539 -11.273 140 HH22 ARG 22 2HH1 ARG 22 -19.339 3.859 -12.350 141 HA PRO 23 HA PRO 23 -12.146 0.143 -13.195 142 HB2 PRO 23 2HB PRO 23 -9.479 0.787 -13.295 143 HB3 PRO 23 1HB PRO 23 -10.775 1.990 -13.416 144 HG2 PRO 23 2HG PRO 23 -8.949 1.424 -11.132 145 HG3 PRO 23 1HG PRO 23 -9.802 2.921 -11.542 146 HD2 PRO 23 2HD PRO 23 -10.560 1.048 -9.549 147 HD3 PRO 23 1HD PRO 23 -11.534 2.402 -10.153 148 H GLY 24 H GLY 24 -9.800 -0.987 -14.121 149 HA2 GLY 24 2HA GLY 24 -9.777 -3.585 -12.701 150 HA3 GLY 24 1HA GLY 24 -9.111 -3.281 -14.308 151 H ALA 25 H ALA 25 -8.494 -1.176 -11.575 152 HA ALA 25 HA ALA 25 -5.633 -1.383 -11.932 153 HB1 ALA 25 1HB ALA 25 -5.823 0.613 -10.902 154 HB2 ALA 25 2HB ALA 25 -6.163 -0.247 -9.401 155 HB3 ALA 25 3HB ALA 25 -7.489 0.262 -10.445 156 H GLN 26 H GLN 26 -4.223 -1.846 -9.920 157 HA GLN 26 HA GLN 26 -4.992 -4.516 -8.901 158 HB2 GLN 26 2HB GLN 26 -2.512 -3.087 -9.454 159 HB3 GLN 26 1HB GLN 26 -2.493 -3.825 -7.853 160 HG2 GLN 26 2HG GLN 26 -3.434 -5.393 -10.244 161 HG3 GLN 26 1HG GLN 26 -1.714 -5.249 -9.880 162 HE21 GLN 26 1HE2 GLN 26 -1.169 -7.239 -8.939 163 HE22 GLN 26 2HE2 GLN 26 -1.997 -7.939 -7.635 164 H CYS 27 H CYS 27 -3.986 -1.344 -7.671 165 HA CYS 27 HA CYS 27 -5.252 -2.032 -5.052 166 HB2 CYS 27 2HB CYS 27 -3.421 -0.729 -3.974 167 HB3 CYS 27 1HB CYS 27 -2.834 -2.175 -4.799 168 H GLY 28 H GLY 28 -6.444 -0.358 -4.119 169 HA2 GLY 28 2HA GLY 28 -7.000 1.958 -5.863 170 HA3 GLY 28 1HA GLY 28 -7.898 1.523 -4.412 171 H GLU 29 H GLU 29 -5.540 1.150 -2.817 172 HA GLU 29 HA GLU 29 -4.206 3.778 -2.811 173 HB2 GLU 29 2HB GLU 29 -4.832 4.205 -0.492 174 HB3 GLU 29 1HB GLU 29 -6.275 4.077 -1.478 175 HG2 GLU 29 2HG GLU 29 -7.021 2.441 -0.135 176 HG3 GLU 29 1HG GLU 29 -5.642 1.453 -0.618 177 H GLY 30 H GLY 30 -2.647 3.672 -0.688 178 HA2 GLY 30 1HA GLY 30 -1.664 1.576 0.634 179 HA3 GLY 30 2HA GLY 30 -1.249 1.079 -0.999 180 H LEU 31 H LEU 31 0.571 1.792 1.235 181 HA LEU 31 HA LEU 31 1.732 4.357 0.884 182 HB2 LEU 31 2HB LEU 31 2.683 1.721 1.900 183 HB3 LEU 31 1HB LEU 31 3.920 2.888 1.444 184 HG LEU 31 HG LEU 31 2.650 4.589 2.857 185 HD11 LEU 31 1HD1 LEU 31 0.549 3.202 2.929 186 HD12 LEU 31 2HD1 LEU 31 1.107 3.734 4.516 187 HD13 LEU 31 3HD1 LEU 31 1.393 2.075 3.990 188 HD21 LEU 31 3HD2 LEU 31 3.532 2.350 4.629 189 HD22 LEU 31 1HD2 LEU 31 3.973 4.057 4.675 190 HD23 LEU 31 2HD2 LEU 31 4.702 2.989 3.476 191 H CYS 32 H CYS 32 1.836 1.481 -1.077 192 HA CYS 32 HA CYS 32 3.752 2.868 -2.889 193 HB2 CYS 32 2HB CYS 32 3.432 -0.029 -2.195 194 HB3 CYS 32 1HB CYS 32 4.135 0.440 -3.739 195 H CYS 33 H CYS 33 0.566 2.441 -2.654 196 HA CYS 33 HA CYS 33 0.023 1.264 -5.264 197 HB2 CYS 33 2HB CYS 33 -1.632 1.243 -3.361 198 HB3 CYS 33 1HB CYS 33 -1.866 2.966 -3.618 199 H GLU 34 H GLU 34 0.929 2.374 -6.931 200 HA GLU 34 HA GLU 34 0.364 5.305 -7.104 201 HB2 GLU 34 2HB GLU 34 2.778 4.720 -6.956 202 HB3 GLU 34 1HB GLU 34 2.605 3.716 -8.395 203 HG2 GLU 34 2HG GLU 34 3.385 5.734 -9.286 204 HG3 GLU 34 1HG GLU 34 1.639 5.884 -9.487 205 H GLN 35 H GLN 35 -0.755 6.001 -8.908 206 HA GLN 35 HA GLN 35 -1.995 5.857 -10.895 207 HB2 GLN 35 2HB GLN 35 -0.003 3.640 -11.470 208 HB3 GLN 35 1HB GLN 35 -1.102 4.342 -12.657 209 HG2 GLN 35 2HG GLN 35 0.676 6.174 -11.087 210 HG3 GLN 35 1HG GLN 35 1.372 5.254 -12.421 211 HE21 GLN 35 1HE2 GLN 35 1.573 6.926 -13.988 212 HE22 GLN 35 2HE2 GLN 35 0.253 7.810 -14.584 213 H CYS 36 H CYS 36 -2.587 4.163 -8.463 214 HA CYS 36 HA CYS 36 -4.256 2.619 -7.885 215 HB2 CYS 36 2HB CYS 36 -4.941 2.355 -10.812 216 HB3 CYS 36 1HB CYS 36 -6.006 2.197 -9.412 217 H LYS 37 H LYS 37 -1.482 1.934 -9.205 218 HA LYS 37 HA LYS 37 -2.100 -0.974 -9.546 219 HB2 LYS 37 2HB LYS 37 0.239 0.454 -10.822 220 HB3 LYS 37 1HB LYS 37 -0.379 -1.155 -11.191 221 HG2 LYS 37 2HG LYS 37 -2.447 0.884 -11.451 222 HG3 LYS 37 1HG LYS 37 -1.070 1.207 -12.505 223 HD2 LYS 37 2HD LYS 37 -2.363 -1.521 -12.331 224 HD3 LYS 37 1HD LYS 37 -2.903 -0.294 -13.477 225 HE2 LYS 37 2HE LYS 37 -0.335 -0.155 -14.071 226 HE3 LYS 37 1HE LYS 37 -0.299 -1.777 -13.380 227 HZ1 LYS 37 3HZ LYS 37 -1.157 -2.558 -15.247 228 HZ2 LYS 37 1HZ LYS 37 -1.181 -0.999 -15.916 229 HZ3 LYS 37 2HZ LYS 37 -2.530 -1.575 -15.059 230 H PHE 38 H PHE 38 -0.159 -2.374 -8.985 231 HA PHE 38 HA PHE 38 0.835 -1.553 -6.364 232 HB2 PHE 38 2HB PHE 38 1.056 -4.030 -8.054 233 HB3 PHE 38 1HB PHE 38 2.111 -3.824 -6.657 234 HD1 PHE 38 2HD PHE 38 0.478 -2.476 -4.693 235 HD2 PHE 38 1HD PHE 38 -0.630 -5.552 -7.478 236 HE1 PHE 38 2HE PHE 38 -1.362 -3.180 -3.187 237 HE2 PHE 38 1HE PHE 38 -2.469 -6.255 -5.971 238 HZ PHE 38 HZ PHE 38 -2.836 -5.068 -3.825 239 H SER 39 H SER 39 2.772 -0.620 -5.959 240 HA SER 39 HA SER 39 4.523 0.284 -8.027 241 HB2 SER 39 2HB SER 39 5.929 1.058 -6.278 242 HB3 SER 39 1HB SER 39 4.322 1.089 -5.560 243 HG SER 39 HG SER 39 4.932 -1.198 -4.941 244 H ARG 40 H ARG 40 7.023 -0.652 -6.579 245 HA ARG 40 HA ARG 40 7.058 -3.445 -7.640 246 HB2 ARG 40 2HB ARG 40 9.395 -3.071 -8.299 247 HB3 ARG 40 1HB ARG 40 8.356 -1.865 -9.061 248 HG2 ARG 40 2HG ARG 40 9.203 -0.937 -6.461 249 HG3 ARG 40 1HG ARG 40 10.606 -1.381 -7.432 250 HD2 ARG 40 2HD ARG 40 8.909 -0.032 -9.207 251 HD3 ARG 40 1HD ARG 40 8.833 0.903 -7.714 252 HE ARG 40 HE ARG 40 11.540 0.444 -8.057 253 HH11 ARG 40 1HH1 ARG 40 8.941 2.007 -9.673 254 HH12 ARG 40 2HH1 ARG 40 9.967 2.948 -10.703 255 HH21 ARG 40 1HH2 ARG 40 12.903 1.533 -9.521 256 HH22 ARG 40 2HH2 ARG 40 12.210 2.681 -10.617 257 H ALA 41 H ALA 41 8.578 -4.867 -6.491 258 HA ALA 41 HA ALA 41 8.466 -4.501 -3.629 259 HB1 ALA 41 1HB ALA 41 9.270 -6.669 -3.485 260 HB2 ALA 41 2HB ALA 41 10.359 -6.468 -4.858 261 HB3 ALA 41 3HB ALA 41 8.633 -6.703 -5.130 262 H GLY 42 H GLY 42 10.229 -4.294 -2.207 263 HA2 GLY 42 2HA GLY 42 12.236 -3.403 -1.481 264 HA3 GLY 42 1HA GLY 42 12.906 -3.631 -3.082 265 H LYS 43 H LYS 43 9.916 -1.906 -2.596 266 HA LYS 43 HA LYS 43 11.253 0.533 -3.654 267 HB2 LYS 43 2HB LYS 43 9.370 0.138 -4.955 268 HB3 LYS 43 1HB LYS 43 8.431 -0.485 -3.609 269 HG2 LYS 43 2HG LYS 43 7.460 1.540 -3.417 270 HG3 LYS 43 1HG LYS 43 9.016 2.226 -2.988 271 HD2 LYS 43 2HD LYS 43 9.549 2.656 -5.308 272 HD3 LYS 43 1HD LYS 43 8.102 1.799 -5.839 273 HE2 LYS 43 2HE LYS 43 6.794 3.609 -5.499 274 HE3 LYS 43 1HE LYS 43 7.484 3.892 -3.901 275 HZ1 LYS 43 3HZ LYS 43 8.095 5.743 -5.153 276 HZ2 LYS 43 1HZ LYS 43 8.481 4.822 -6.523 277 HZ3 LYS 43 2HZ LYS 43 9.489 4.772 -5.156 278 H ILE 44 H ILE 44 11.729 2.183 -2.339 279 HA ILE 44 HA ILE 44 11.476 2.170 0.449 280 HB ILE 44 HB ILE 44 12.970 3.748 -0.478 281 HG12 ILE 44 2HG1 ILE 44 12.268 5.873 0.441 282 HG13 ILE 44 1HG1 ILE 44 10.567 5.425 0.304 283 HG21 ILE 44 1HG2 ILE 44 10.612 4.482 -2.193 284 HG22 ILE 44 2HG2 ILE 44 12.242 4.023 -2.686 285 HG23 ILE 44 3HG2 ILE 44 11.948 5.614 -1.985 286 HD11 ILE 44 3HD1 ILE 44 12.597 3.998 2.046 287 HD12 ILE 44 1HD1 ILE 44 10.875 3.632 1.942 288 HD13 ILE 44 2HD1 ILE 44 11.411 5.166 2.628 289 H CYS 45 H CYS 45 9.626 1.994 1.555 290 HA CYS 45 HA CYS 45 7.227 3.508 0.592 291 HB2 CYS 45 2HB CYS 45 6.160 1.853 2.406 292 HB3 CYS 45 1HB CYS 45 6.355 1.409 0.717 293 H ARG 46 H ARG 46 9.518 3.138 3.130 294 HA ARG 46 HA ARG 46 8.389 5.467 4.493 295 HB2 ARG 46 2HB ARG 46 7.182 3.398 5.411 296 HB3 ARG 46 1HB ARG 46 8.735 2.941 6.112 297 HG2 ARG 46 2HG ARG 46 8.822 4.905 7.460 298 HG3 ARG 46 1HG ARG 46 7.504 5.664 6.566 299 HD2 ARG 46 2HD ARG 46 5.937 4.644 7.830 300 HD3 ARG 46 1HD ARG 46 6.726 3.075 7.665 301 HE ARG 46 HE ARG 46 7.108 4.975 9.872 302 HH11 ARG 46 1HH1 ARG 46 6.771 2.040 10.268 303 HH12 ARG 46 2HH1 ARG 46 8.388 1.524 10.612 304 HH21 ARG 46 1HH2 ARG 46 9.856 4.414 9.379 305 HH22 ARG 46 2HH2 ARG 46 10.135 2.868 10.109 306 H ILE 47 H ILE 47 9.879 6.350 6.078 307 HA ILE 47 HA ILE 47 12.671 5.572 5.479 308 HB ILE 47 HB ILE 47 11.546 8.021 5.578 309 HG12 ILE 47 2HG1 ILE 47 13.791 7.577 4.776 310 HG13 ILE 47 1HG1 ILE 47 13.871 8.889 5.953 311 HG21 ILE 47 1HG2 ILE 47 11.109 7.645 8.081 312 HG22 ILE 47 2HG2 ILE 47 11.920 9.148 7.637 313 HG23 ILE 47 3HG2 ILE 47 12.853 7.803 8.294 314 HD11 ILE 47 3HD1 ILE 47 14.800 6.056 6.204 315 HD12 ILE 47 1HD1 ILE 47 14.226 6.879 7.653 316 HD13 ILE 47 2HD1 ILE 47 15.582 7.543 6.741 317 H ALA 48 H ALA 48 13.968 4.576 6.981 318 HA ALA 48 HA ALA 48 12.707 3.757 9.520 319 HB1 ALA 48 1HB ALA 48 14.066 2.226 7.948 320 HB2 ALA 48 2HB ALA 48 14.423 2.132 9.672 321 HB3 ALA 48 3HB ALA 48 15.489 3.040 8.599 322 H ARG 49 H ARG 49 13.227 4.634 11.480 323 HA ARG 49 HA ARG 49 15.207 6.836 11.511 324 HB2 ARG 49 2HB ARG 49 14.252 7.379 13.703 325 HB3 ARG 49 1HB ARG 49 12.958 7.185 12.520 326 HG2 ARG 49 2HG ARG 49 13.269 4.614 13.452 327 HG3 ARG 49 1HG ARG 49 13.575 5.572 14.902 328 HD2 ARG 49 2HD ARG 49 11.099 5.505 13.183 329 HD3 ARG 49 1HD ARG 49 11.236 5.279 14.927 330 HE ARG 49 HE ARG 49 11.149 7.859 13.523 331 HH11 ARG 49 1HH1 ARG 49 9.856 6.857 16.184 332 HH12 ARG 49 2HH1 ARG 49 10.676 7.882 17.314 333 HH21 ARG 49 1HH2 ARG 49 13.119 8.863 15.058 334 HH22 ARG 49 2HH2 ARG 49 12.522 9.016 16.677 335 H GLY 50 H GLY 50 17.257 6.415 12.172 336 HA2 GLY 50 2HA GLY 50 18.321 5.451 14.399 337 HA3 GLY 50 1HA GLY 50 17.763 3.926 13.711 338 H ASP 51 H ASP 51 19.275 2.874 12.533 339 HA ASP 51 HA ASP 51 21.106 4.400 10.786 340 HB2 ASP 51 2HB ASP 51 21.889 3.309 13.356 341 HB3 ASP 51 1HB ASP 51 22.785 2.531 12.050 342 H TRP 52 H TRP 52 18.980 2.667 10.129 343 HA TRP 52 HA TRP 52 20.494 0.369 8.962 344 HB2 TRP 52 2HB TRP 52 18.000 -0.668 9.108 345 HB3 TRP 52 1HB TRP 52 19.191 -0.871 10.391 346 HD1 TRP 52 HD TRP 52 16.359 1.555 9.403 347 HE1 TRP 52 1HE TRP 52 15.293 2.482 11.562 348 HE3 TRP 52 3HE TRP 52 19.397 -0.614 12.880 349 HZ2 TRP 52 2HZ TRP 52 15.685 2.324 14.391 350 HZ3 TRP 52 3HZ TRP 52 19.035 -0.209 15.299 351 HH2 TRP 52 HH TRP 52 17.184 1.256 16.058 352 H ASN 53 H ASN 53 18.446 -0.607 7.316 353 HA ASN 53 HA ASN 53 18.455 1.428 5.223 354 HB2 ASN 53 2HB ASN 53 18.524 -1.266 5.138 355 HB3 ASN 53 1HB ASN 53 16.791 -1.020 4.921 356 HD21 ASN 53 1HD2 ASN 53 18.167 -2.056 2.743 357 HD22 ASN 53 2HD2 ASN 53 18.331 -0.877 1.534 358 H ASP 54 H ASP 54 16.451 2.108 4.108 359 HA ASP 54 HA ASP 54 14.465 3.083 5.967 360 HB2 ASP 54 2HB ASP 54 14.380 2.979 2.934 361 HB3 ASP 54 1HB ASP 54 13.360 3.980 3.966 362 H ASP 55 H ASP 55 12.304 2.452 3.773 363 HA ASP 55 HA ASP 55 11.715 -0.310 4.758 364 HB2 ASP 55 2HB ASP 55 10.086 2.159 4.756 365 HB3 ASP 55 1HB ASP 55 9.249 0.710 4.204 366 H ARG 56 H ARG 56 11.853 -1.686 3.085 367 HA ARG 56 HA ARG 56 11.440 -0.767 0.301 368 HB2 ARG 56 2HB ARG 56 12.820 -2.943 1.678 369 HB3 ARG 56 1HB ARG 56 11.902 -3.514 0.291 370 HG2 ARG 56 2HG ARG 56 13.846 -2.895 -0.799 371 HG3 ARG 56 1HG ARG 56 12.995 -1.353 -0.844 372 HD2 ARG 56 2HD ARG 56 15.453 -1.393 -0.021 373 HD3 ARG 56 1HD ARG 56 14.263 -0.458 0.868 374 HE ARG 56 HE ARG 56 14.978 -3.217 1.751 375 HH11 ARG 56 1HH2 ARG 56 15.503 0.108 2.199 376 HH12 ARG 56 2HH2 ARG 56 15.390 0.053 3.926 377 HH21 ARG 56 1HH1 ARG 56 14.445 -3.280 4.024 378 HH22 ARG 56 2HH1 ARG 56 14.792 -1.864 4.959 379 H CYS 57 H CYS 57 9.576 -1.102 -0.811 380 HA CYS 57 HA CYS 57 7.268 -2.249 0.513 381 HB2 CYS 57 2HB CYS 57 7.795 -0.806 -1.961 382 HB3 CYS 57 1HB CYS 57 6.677 -2.140 -2.216 383 H THR 58 H THR 58 6.179 -4.175 0.013 384 HA THR 58 HA THR 58 7.822 -6.418 -0.722 385 HB THR 58 HB THR 58 5.014 -6.996 -1.006 386 HG1 THR 58 1HG THR 58 4.320 -6.224 0.975 387 HG21 THR 58 3HG2 THR 58 5.940 -7.889 1.484 388 HG22 THR 58 1HG2 THR 58 7.365 -7.879 0.445 389 HG23 THR 58 2HG2 THR 58 5.936 -8.800 -0.026 390 H GLY 59 H GLY 59 6.061 -4.113 -2.540 391 HA2 GLY 59 2HA GLY 59 6.206 -3.898 -4.921 392 HA3 GLY 59 1HA GLY 59 6.695 -5.589 -5.022 393 H GLN 60 H GLN 60 4.689 -6.902 -3.703 394 HA GLN 60 HA GLN 60 2.390 -6.407 -5.510 395 HB2 GLN 60 2HB GLN 60 3.022 -8.738 -3.674 396 HB3 GLN 60 1HB GLN 60 1.637 -8.652 -4.762 397 HG2 GLN 60 2HG GLN 60 2.891 -9.174 -6.572 398 HG3 GLN 60 1HG GLN 60 4.175 -8.058 -6.101 399 HE21 GLN 60 1HE2 GLN 60 5.571 -8.888 -4.170 400 HE22 GLN 60 2HE2 GLN 60 5.920 -10.550 -4.143 401 H SER 61 H SER 61 3.266 -5.247 -2.603 402 HA SER 61 HA SER 61 0.470 -5.403 -1.539 403 HB2 SER 61 2HB SER 61 1.843 -6.440 0.082 404 HB3 SER 61 1HB SER 61 3.134 -5.260 -0.130 405 HG SER 61 HG SER 61 1.830 -4.933 1.771 406 H ALA 62 H ALA 62 -0.612 -3.504 -1.513 407 HA ALA 62 HA ALA 62 0.551 -1.034 -2.429 408 HB1 ALA 62 1HB ALA 62 -1.818 -0.682 -0.760 409 HB2 ALA 62 2HB ALA 62 -2.035 -1.999 -1.911 410 HB3 ALA 62 3HB ALA 62 -1.622 -0.386 -2.486 411 H ASP 63 H ASP 63 -0.158 -2.350 0.788 412 HA ASP 63 HA ASP 63 0.763 0.079 2.132 413 HB2 ASP 63 2HB ASP 63 0.291 -2.702 3.257 414 HB3 ASP 63 1HB ASP 63 0.486 -1.220 4.194 415 H CYS 64 H CYS 64 2.528 -0.670 4.034 416 HA CYS 64 HA CYS 64 4.710 -2.052 2.544 417 HB2 CYS 64 2HB CYS 64 5.173 0.286 2.341 418 HB3 CYS 64 1HB CYS 64 4.876 0.567 4.051 419 HA PRO 65 HA PRO 65 5.050 -4.325 6.261 420 HB2 PRO 65 2HB PRO 65 7.290 -5.695 5.494 421 HB3 PRO 65 1HB PRO 65 5.674 -6.094 4.911 422 HG2 PRO 65 2HG PRO 65 7.924 -4.763 3.495 423 HG3 PRO 65 1HG PRO 65 6.566 -5.686 2.830 424 HD2 PRO 65 2HD PRO 65 6.801 -2.870 2.875 425 HD3 PRO 65 1HD PRO 65 5.333 -3.797 2.504 426 H ARG 66 H ARG 66 7.012 -4.868 7.820 427 HA ARG 66 HA ARG 66 8.882 -2.537 7.884 428 HB2 ARG 66 2HB ARG 66 8.655 -2.591 10.389 429 HB3 ARG 66 1HB ARG 66 7.178 -2.108 9.555 430 HG2 ARG 66 2HG ARG 66 7.503 -5.021 10.027 431 HG3 ARG 66 1HG ARG 66 7.235 -4.032 11.462 432 HD2 ARG 66 2HD ARG 66 5.298 -2.958 10.140 433 HD3 ARG 66 1HD ARG 66 5.461 -4.325 9.037 434 HE ARG 66 HE ARG 66 4.472 -5.693 10.685 435 HH11 ARG 66 1HH1 ARG 66 4.347 -2.524 11.717 436 HH12 ARG 66 2HH1 ARG 66 4.231 -2.883 13.407 437 HH21 ARG 66 1HH2 ARG 66 4.880 -6.262 13.005 438 HH22 ARG 66 2HH2 ARG 66 4.532 -4.998 14.135 439 H ASN 67 H ASN 67 10.772 -3.013 9.415 440 HA ASN 67 HA ASN 67 11.881 -5.626 8.697 441 HB2 ASN 67 2HB ASN 67 12.878 -3.072 9.780 442 HB3 ASN 67 1HB ASN 67 13.678 -4.495 10.447 443 HD21 ASN 67 1HD2 ASN 67 15.634 -3.773 9.184 444 HD22 ASN 67 2HD2 ASN 67 15.725 -4.127 7.527 445 HA PRO 68 HA PRO 68 11.081 -7.647 12.524 446 HB2 PRO 68 2HB PRO 68 13.316 -9.232 12.724 447 HB3 PRO 68 1HB PRO 68 12.009 -9.533 11.568 448 HG2 PRO 68 2HG PRO 68 14.738 -8.462 11.067 449 HG3 PRO 68 1HG PRO 68 13.644 -9.306 9.959 450 HD2 PRO 68 2HD PRO 68 14.113 -6.499 10.061 451 HD3 PRO 68 1HD PRO 68 12.849 -7.327 9.127 452 H TRP 69 H TRP 69 12.284 -5.027 12.892 453 HA TRP 69 HA TRP 69 13.854 -5.568 15.363 454 HB2 TRP 69 2HB TRP 69 14.471 -3.444 13.284 455 HB3 TRP 69 1HB TRP 69 15.332 -3.669 14.807 456 HD1 TRP 69 HD TRP 69 15.950 -4.328 11.419 457 HE1 TRP 69 1HE TRP 69 17.341 -6.462 11.024 458 HE3 TRP 69 3HE TRP 69 15.365 -6.596 15.944 459 HZ2 TRP 69 2HZ TRP 69 18.102 -8.828 12.446 460 HZ3 TRP 69 3HZ TRP 69 16.430 -8.790 16.404 461 HH2 TRP 69 HH TRP 69 17.797 -9.907 14.661 462 H ASN 70 H ASN 70 13.335 -2.339 14.144 463 HA ASN 70 HA ASN 70 12.070 -1.407 16.494 464 HB2 ASN 70 2HB ASN 70 11.602 0.604 15.277 465 HB3 ASN 70 1HB ASN 70 13.121 -0.017 14.629 466 HD21 ASN 70 1HD2 ASN 70 13.023 -1.147 12.506 467 HD22 ASN 70 2HD2 ASN 70 11.733 -0.848 11.443 468 H GLY 71 H GLY 71 9.989 -1.563 17.218 469 HA2 GLY 71 2HA GLY 71 7.970 -2.693 15.323 470 HA3 GLY 71 1HA GLY 71 7.952 -2.978 17.064 Start of MODEL 9 1 H GLY 1 1HT GLY 1 -13.975 -10.791 5.492 2 HA2 GLY 1 1HA GLY 1 -14.404 -8.726 4.823 3 HA3 GLY 1 2HA GLY 1 -12.908 -8.304 5.656 4 H LYS 2 H LYS 2 -14.348 -9.001 2.527 5 HA LYS 2 HA LYS 2 -12.027 -7.654 1.246 6 HB2 LYS 2 2HB LYS 2 -11.753 -10.166 1.093 7 HB3 LYS 2 1HB LYS 2 -13.244 -10.205 0.151 8 HG2 LYS 2 2HG LYS 2 -12.244 -9.344 -1.704 9 HG3 LYS 2 1HG LYS 2 -11.256 -8.221 -0.768 10 HD2 LYS 2 2HD LYS 2 -10.203 -10.652 -0.029 11 HD3 LYS 2 1HD LYS 2 -10.619 -10.934 -1.719 12 HE2 LYS 2 2HE LYS 2 -9.361 -8.324 -1.267 13 HE3 LYS 2 1HE LYS 2 -8.320 -9.680 -0.829 14 HZ1 LYS 2 3HZ LYS 2 -8.846 -10.660 -3.024 15 HZ2 LYS 2 1HZ LYS 2 -7.999 -9.195 -3.125 16 HZ3 LYS 2 2HZ LYS 2 -9.669 -9.230 -3.435 17 H GLU 3 H GLU 3 -14.659 -6.649 1.826 18 HA GLU 3 HA GLU 3 -15.863 -6.551 -0.912 19 HB2 GLU 3 2HB GLU 3 -17.372 -7.390 0.881 20 HB3 GLU 3 1HB GLU 3 -17.147 -5.872 1.752 21 HG2 GLU 3 2HG GLU 3 -18.659 -4.818 0.455 22 HG3 GLU 3 1HG GLU 3 -17.868 -5.381 -1.018 23 H CYS 4 H CYS 4 -14.193 -4.750 1.467 24 HA CYS 4 HA CYS 4 -14.781 -2.233 -0.050 25 HB2 CYS 4 2HB CYS 4 -14.381 -2.650 2.925 26 HB3 CYS 4 1HB CYS 4 -14.291 -1.064 2.167 27 H ASP 5 H ASP 5 -12.946 -2.405 -1.354 28 HA ASP 5 HA ASP 5 -10.327 -3.083 -0.356 29 HB2 ASP 5 2HB ASP 5 -11.039 -3.260 -2.757 30 HB3 ASP 5 1HB ASP 5 -11.033 -1.498 -2.843 31 H CYS 6 H CYS 6 -12.176 -0.131 -0.465 32 HA CYS 6 HA CYS 6 -9.784 1.327 0.592 33 HB2 CYS 6 2HB CYS 6 -10.572 3.337 -0.492 34 HB3 CYS 6 1HB CYS 6 -10.544 2.058 -1.704 35 H SER 7 H SER 7 -10.606 3.365 1.882 36 HA SER 7 HA SER 7 -12.907 2.469 3.571 37 HB2 SER 7 2HB SER 7 -10.290 2.902 4.357 38 HB3 SER 7 1HB SER 7 -11.079 4.420 4.777 39 HG SER 7 HG SER 7 -12.121 3.418 6.303 40 H SER 8 H SER 8 -11.700 4.946 1.525 41 HA SER 8 HA SER 8 -13.615 6.925 2.651 42 HB2 SER 8 2HB SER 8 -11.075 7.094 1.209 43 HB3 SER 8 1HB SER 8 -12.310 8.150 0.530 44 HG SER 8 HG SER 8 -11.976 9.391 2.181 45 HA PRO 9 HA PRO 9 -16.346 5.896 -0.699 46 HB2 PRO 9 2HB PRO 9 -18.206 7.846 -0.160 47 HB3 PRO 9 1HB PRO 9 -18.076 6.338 0.762 48 HG2 PRO 9 2HG PRO 9 -17.242 9.094 1.542 49 HG3 PRO 9 1HG PRO 9 -17.723 7.734 2.570 50 HD2 PRO 9 2HD PRO 9 -15.069 8.593 2.090 51 HD3 PRO 9 1HD PRO 9 -15.550 7.054 2.836 52 H GLU 10 H GLU 10 -14.833 8.992 -0.198 53 HA GLU 10 HA GLU 10 -15.727 10.022 -2.824 54 HB2 GLU 10 2HB GLU 10 -14.601 11.159 -0.376 55 HB3 GLU 10 1HB GLU 10 -13.811 11.774 -1.828 56 HG2 GLU 10 2HG GLU 10 -15.786 13.145 -1.194 57 HG3 GLU 10 1HG GLU 10 -15.982 12.396 -2.780 58 H ASN 11 H ASN 11 -14.146 7.643 -2.895 59 HA ASN 11 HA ASN 11 -11.524 8.652 -3.898 60 HB2 ASN 11 2HB ASN 11 -11.434 6.909 -2.131 61 HB3 ASN 11 1HB ASN 11 -12.348 5.826 -3.180 62 HD21 ASN 11 1HD2 ASN 11 -9.638 5.278 -2.253 63 HD22 ASN 11 2HD2 ASN 11 -8.635 5.244 -3.623 64 HA PRO 12 HA PRO 12 -13.268 7.746 -7.905 65 HB2 PRO 12 2HB PRO 12 -11.088 8.622 -9.333 66 HB3 PRO 12 1HB PRO 12 -12.305 9.707 -8.637 67 HG2 PRO 12 2HG PRO 12 -9.523 9.168 -7.712 68 HG3 PRO 12 1HG PRO 12 -10.524 10.609 -7.474 69 HD2 PRO 12 2HD PRO 12 -10.040 8.582 -5.553 70 HD3 PRO 12 1HD PRO 12 -11.272 9.857 -5.443 71 H CYS 13 H CYS 13 -11.055 5.991 -6.259 72 HA CYS 13 HA CYS 13 -10.265 4.357 -8.631 73 HB2 CYS 13 2HB CYS 13 -8.523 5.332 -6.937 74 HB3 CYS 13 1HB CYS 13 -9.064 4.016 -5.893 75 H CYS 14 H CYS 14 -11.947 4.295 -5.549 76 HA CYS 14 HA CYS 14 -12.612 1.421 -6.070 77 HB2 CYS 14 2HB CYS 14 -12.831 1.103 -3.690 78 HB3 CYS 14 1HB CYS 14 -11.285 1.906 -3.970 79 H ASP 15 H ASP 15 -14.724 0.973 -6.395 80 HA ASP 15 HA ASP 15 -16.703 2.991 -6.697 81 HB2 ASP 15 2HB ASP 15 -16.609 0.453 -7.473 82 HB3 ASP 15 1HB ASP 15 -17.488 0.197 -5.961 83 H ALA 16 H ALA 16 -17.956 4.012 -5.192 84 HA ALA 16 HA ALA 16 -17.532 3.616 -2.382 85 HB1 ALA 16 1HB ALA 16 -18.365 5.721 -2.617 86 HB2 ALA 16 2HB ALA 16 -19.937 4.929 -2.515 87 HB3 ALA 16 3HB ALA 16 -19.242 5.308 -4.091 88 H ALA 17 H ALA 17 -20.015 2.475 -4.638 89 HA ALA 17 HA ALA 17 -21.822 1.393 -2.725 90 HB1 ALA 17 1HB ALA 17 -21.750 1.520 -5.464 91 HB2 ALA 17 2HB ALA 17 -22.915 0.566 -4.544 92 HB3 ALA 17 3HB ALA 17 -21.462 -0.198 -5.186 93 H THR 18 H THR 18 -19.399 -0.437 -4.643 94 HA THR 18 HA THR 18 -19.440 -2.538 -2.558 95 HB THR 18 HB THR 18 -19.527 -3.395 -4.795 96 HG1 THR 18 1HG THR 18 -18.025 -4.405 -3.334 97 HG21 THR 18 3HG2 THR 18 -17.211 -1.517 -5.289 98 HG22 THR 18 1HG2 THR 18 -18.788 -1.520 -6.078 99 HG23 THR 18 2HG2 THR 18 -17.637 -2.816 -6.403 100 H CYS 19 H CYS 19 -18.061 0.272 -2.520 101 HA CYS 19 HA CYS 19 -15.929 1.166 -1.954 102 HB2 CYS 19 2HB CYS 19 -15.074 -0.230 0.141 103 HB3 CYS 19 1HB CYS 19 -16.472 0.820 0.256 104 H LYS 20 H LYS 20 -15.678 -0.793 -4.089 105 HA LYS 20 HA LYS 20 -12.942 -1.784 -3.395 106 HB2 LYS 20 2HB LYS 20 -15.076 -3.238 -4.980 107 HB3 LYS 20 1HB LYS 20 -13.397 -3.767 -4.850 108 HG2 LYS 20 2HG LYS 20 -14.392 -3.210 -2.217 109 HG3 LYS 20 1HG LYS 20 -15.532 -4.277 -3.038 110 HD2 LYS 20 2HD LYS 20 -12.559 -4.803 -3.086 111 HD3 LYS 20 1HD LYS 20 -13.583 -5.399 -1.780 112 HE2 LYS 20 2HE LYS 20 -14.716 -6.877 -3.152 113 HE3 LYS 20 1HE LYS 20 -14.468 -5.891 -4.593 114 HZ1 LYS 20 3HZ LYS 20 -12.735 -7.151 -5.089 115 HZ2 LYS 20 1HZ LYS 20 -12.930 -8.052 -3.665 116 HZ3 LYS 20 2HZ LYS 20 -11.960 -6.658 -3.660 117 H LEU 21 H LEU 21 -11.606 -2.171 -5.419 118 HA LEU 21 HA LEU 21 -11.569 0.171 -7.029 119 HB2 LEU 21 2HB LEU 21 -10.341 -2.558 -7.511 120 HB3 LEU 21 1HB LEU 21 -9.978 -1.127 -8.477 121 HG LEU 21 HG LEU 21 -9.776 -0.600 -5.612 122 HD11 LEU 21 1HD1 LEU 21 -9.101 -3.060 -5.780 123 HD12 LEU 21 2HD1 LEU 21 -7.884 -1.974 -5.106 124 HD13 LEU 21 3HD1 LEU 21 -7.749 -2.522 -6.777 125 HD21 LEU 21 3HD2 LEU 21 -8.094 0.770 -6.338 126 HD22 LEU 21 1HD2 LEU 21 -8.817 0.480 -7.920 127 HD23 LEU 21 2HD2 LEU 21 -7.417 -0.460 -7.405 128 H ARG 22 H ARG 22 -13.017 0.738 -8.534 129 HA ARG 22 HA ARG 22 -14.819 -1.216 -9.736 130 HB2 ARG 22 2HB ARG 22 -14.978 1.485 -9.201 131 HB3 ARG 22 1HB ARG 22 -14.742 1.458 -10.949 132 HG2 ARG 22 2HG ARG 22 -16.567 -0.556 -10.627 133 HG3 ARG 22 1HG ARG 22 -17.056 0.568 -9.356 134 HD2 ARG 22 2HD ARG 22 -17.479 2.303 -10.874 135 HD3 ARG 22 1HD ARG 22 -16.459 1.589 -12.122 136 HE ARG 22 HE ARG 22 -19.214 1.170 -11.994 137 HH11 ARG 22 1HH2 ARG 22 -17.663 -0.037 -14.175 138 HH12 ARG 22 2HH2 ARG 22 -17.804 -1.736 -13.870 139 HH21 ARG 22 1HH1 ARG 22 -18.838 -1.329 -10.585 140 HH22 ARG 22 2HH1 ARG 22 -18.469 -2.468 -11.836 141 HA PRO 23 HA PRO 23 -12.358 -0.053 -13.659 142 HB2 PRO 23 2HB PRO 23 -10.121 1.511 -13.342 143 HB3 PRO 23 1HB PRO 23 -11.742 2.166 -13.630 144 HG2 PRO 23 2HG PRO 23 -10.157 2.130 -11.108 145 HG3 PRO 23 1HG PRO 23 -11.445 3.239 -11.608 146 HD2 PRO 23 2HD PRO 23 -11.704 1.068 -9.798 147 HD3 PRO 23 1HD PRO 23 -13.034 2.007 -10.512 148 H GLY 24 H GLY 24 -9.828 -0.385 -14.428 149 HA2 GLY 24 2HA GLY 24 -9.029 -2.898 -13.171 150 HA3 GLY 24 1HA GLY 24 -8.252 -2.142 -14.561 151 H ALA 25 H ALA 25 -8.802 -1.195 -11.151 152 HA ALA 25 HA ALA 25 -5.945 -0.328 -11.054 153 HB1 ALA 25 1HB ALA 25 -7.096 1.557 -10.399 154 HB2 ALA 25 2HB ALA 25 -6.981 0.759 -8.831 155 HB3 ALA 25 3HB ALA 25 -8.463 0.633 -9.776 156 H GLN 26 H GLN 26 -4.570 -1.266 -9.520 157 HA GLN 26 HA GLN 26 -5.489 -3.731 -8.296 158 HB2 GLN 26 2HB GLN 26 -3.203 -3.966 -7.531 159 HB3 GLN 26 1HB GLN 26 -3.189 -3.393 -9.199 160 HG2 GLN 26 2HG GLN 26 -1.753 -1.853 -8.351 161 HG3 GLN 26 1HG GLN 26 -3.238 -1.024 -7.912 162 HE21 GLN 26 1HE2 GLN 26 -0.978 -0.550 -6.302 163 HE22 GLN 26 2HE2 GLN 26 -1.170 -1.324 -4.808 164 H CYS 27 H CYS 27 -4.767 -0.451 -7.088 165 HA CYS 27 HA CYS 27 -6.237 -1.175 -4.633 166 HB2 CYS 27 2HB CYS 27 -4.484 -1.129 -3.220 167 HB3 CYS 27 1HB CYS 27 -3.433 -1.109 -4.615 168 H GLY 28 H GLY 28 -6.971 0.739 -3.439 169 HA2 GLY 28 2HA GLY 28 -7.346 3.055 -5.258 170 HA3 GLY 28 1HA GLY 28 -8.306 2.723 -3.819 171 H GLU 29 H GLU 29 -5.968 2.120 -2.186 172 HA GLU 29 HA GLU 29 -4.431 4.638 -2.167 173 HB2 GLU 29 2HB GLU 29 -5.097 5.282 0.017 174 HB3 GLU 29 1HB GLU 29 -6.595 4.914 -0.824 175 HG2 GLU 29 2HG GLU 29 -7.062 3.518 0.888 176 HG3 GLU 29 1HG GLU 29 -5.825 2.457 0.214 177 H GLY 30 H GLY 30 -2.537 4.473 -0.723 178 HA2 GLY 30 2HA GLY 30 -1.761 2.443 0.955 179 HA3 GLY 30 1HA GLY 30 -1.506 1.733 -0.636 180 H LEU 31 H LEU 31 0.712 2.088 0.966 181 HA LEU 31 HA LEU 31 1.998 4.647 0.529 182 HB2 LEU 31 2HB LEU 31 2.585 2.209 1.925 183 HB3 LEU 31 1HB LEU 31 3.954 2.607 0.891 184 HG LEU 31 HG LEU 31 4.319 3.730 2.982 185 HD11 LEU 31 1HD1 LEU 31 4.779 5.806 2.124 186 HD12 LEU 31 2HD1 LEU 31 3.148 6.019 1.489 187 HD13 LEU 31 3HD1 LEU 31 4.313 5.029 0.612 188 HD21 LEU 31 3HD2 LEU 31 2.270 3.791 4.097 189 HD22 LEU 31 1HD2 LEU 31 1.408 4.410 2.689 190 HD23 LEU 31 2HD2 LEU 31 2.451 5.480 3.624 191 H CYS 32 H CYS 32 2.185 1.460 -1.053 192 HA CYS 32 HA CYS 32 3.772 2.754 -3.222 193 HB2 CYS 32 2HB CYS 32 3.615 -0.050 -2.175 194 HB3 CYS 32 1HB CYS 32 4.108 0.226 -3.847 195 H CYS 33 H CYS 33 1.417 3.585 -3.679 196 HA CYS 33 HA CYS 33 0.234 1.713 -5.686 197 HB2 CYS 33 2HB CYS 33 -1.112 3.264 -3.504 198 HB3 CYS 33 1HB CYS 33 -1.961 3.063 -5.035 199 H GLU 34 H GLU 34 1.363 2.821 -7.362 200 HA GLU 34 HA GLU 34 0.912 5.734 -7.636 201 HB2 GLU 34 2HB GLU 34 2.575 3.835 -9.322 202 HB3 GLU 34 1HB GLU 34 2.555 5.593 -9.460 203 HG2 GLU 34 2HG GLU 34 3.638 5.898 -7.403 204 HG3 GLU 34 1HG GLU 34 3.194 4.292 -6.824 205 H GLN 35 H GLN 35 -0.782 6.417 -8.826 206 HA GLN 35 HA GLN 35 -2.490 6.424 -10.424 207 HB2 GLN 35 2HB GLN 35 -0.219 5.674 -11.769 208 HB3 GLN 35 1HB GLN 35 -1.291 4.313 -12.100 209 HG2 GLN 35 2HG GLN 35 -2.008 5.684 -13.793 210 HG3 GLN 35 1HG GLN 35 -3.023 6.342 -12.510 211 HE21 GLN 35 1HE2 GLN 35 -2.295 8.023 -14.654 212 HE22 GLN 35 2HE2 GLN 35 -1.196 9.192 -14.104 213 H CYS 36 H CYS 36 -2.577 4.607 -8.171 214 HA CYS 36 HA CYS 36 -3.926 2.857 -7.401 215 HB2 CYS 36 2HB CYS 36 -5.127 3.399 -10.113 216 HB3 CYS 36 1HB CYS 36 -5.701 2.066 -9.113 217 H LYS 37 H LYS 37 -1.361 2.357 -8.776 218 HA LYS 37 HA LYS 37 -1.901 -0.447 -9.666 219 HB2 LYS 37 2HB LYS 37 0.109 1.571 -10.695 220 HB3 LYS 37 1HB LYS 37 0.281 -0.160 -10.989 221 HG2 LYS 37 2HG LYS 37 -2.162 1.479 -11.722 222 HG3 LYS 37 1HG LYS 37 -0.894 1.006 -12.854 223 HD2 LYS 37 2HD LYS 37 -1.509 -1.398 -11.680 224 HD3 LYS 37 1HD LYS 37 -3.083 -0.602 -11.707 225 HE2 LYS 37 2HE LYS 37 -1.291 -0.682 -14.138 226 HE3 LYS 37 1HE LYS 37 -2.452 -1.963 -13.790 227 HZ1 LYS 37 3HZ LYS 37 -4.102 -0.028 -13.552 228 HZ2 LYS 37 1HZ LYS 37 -3.649 -0.519 -15.111 229 HZ3 LYS 37 2HZ LYS 37 -2.954 0.871 -14.422 230 H PHE 38 H PHE 38 -0.064 -1.930 -9.177 231 HA PHE 38 HA PHE 38 0.896 -1.474 -6.460 232 HB2 PHE 38 2HB PHE 38 0.962 -3.703 -8.446 233 HB3 PHE 38 1HB PHE 38 2.173 -3.719 -7.169 234 HD1 PHE 38 2HD PHE 38 0.695 -2.576 -4.875 235 HD2 PHE 38 1HD PHE 38 -0.591 -5.362 -7.885 236 HE1 PHE 38 2HE PHE 38 -0.971 -3.521 -3.301 237 HE2 PHE 38 1HE PHE 38 -2.249 -6.305 -6.305 238 HZ PHE 38 HZ PHE 38 -2.440 -5.384 -4.012 239 H SER 39 H SER 39 2.794 -0.433 -6.006 240 HA SER 39 HA SER 39 4.608 0.431 -8.051 241 HB2 SER 39 2HB SER 39 5.416 0.059 -5.168 242 HB3 SER 39 1HB SER 39 5.928 1.308 -6.299 243 HG SER 39 HG SER 39 3.467 1.723 -6.265 244 H ARG 40 H ARG 40 6.961 -0.620 -6.203 245 HA ARG 40 HA ARG 40 6.924 -3.432 -7.155 246 HB2 ARG 40 2HB ARG 40 9.117 -3.246 -8.169 247 HB3 ARG 40 1HB ARG 40 8.094 -1.991 -8.866 248 HG2 ARG 40 2HG ARG 40 9.434 -0.361 -8.078 249 HG3 ARG 40 1HG ARG 40 9.392 -1.040 -6.450 250 HD2 ARG 40 2HD ARG 40 11.615 -1.412 -6.853 251 HD3 ARG 40 1HD ARG 40 10.998 -2.853 -7.663 252 HE ARG 40 HE ARG 40 11.890 -1.922 -9.623 253 HH11 ARG 40 1HH2 ARG 40 9.712 0.061 -9.918 254 HH12 ARG 40 2HH2 ARG 40 10.564 1.569 -9.919 255 HH21 ARG 40 1HH1 ARG 40 13.469 0.233 -8.578 256 HH22 ARG 40 2HH1 ARG 40 12.689 1.666 -9.159 257 H ALA 41 H ALA 41 8.444 -4.783 -5.966 258 HA ALA 41 HA ALA 41 8.716 -4.014 -3.201 259 HB1 ALA 41 1HB ALA 41 8.866 -6.413 -4.679 260 HB2 ALA 41 2HB ALA 41 9.014 -6.238 -2.930 261 HB3 ALA 41 3HB ALA 41 10.457 -6.211 -3.945 262 H GLY 42 H GLY 42 10.954 -4.094 -2.095 263 HA2 GLY 42 2HA GLY 42 13.156 -3.230 -1.976 264 HA3 GLY 42 1HA GLY 42 13.259 -3.433 -3.726 265 H LYS 43 H LYS 43 10.579 -1.762 -2.264 266 HA LYS 43 HA LYS 43 11.654 0.789 -3.436 267 HB2 LYS 43 2HB LYS 43 9.712 0.469 -4.643 268 HB3 LYS 43 1HB LYS 43 8.928 -0.434 -3.353 269 HG2 LYS 43 2HG LYS 43 7.812 1.717 -3.590 270 HG3 LYS 43 1HG LYS 43 8.701 1.715 -2.067 271 HD2 LYS 43 2HD LYS 43 9.720 3.602 -2.764 272 HD3 LYS 43 1HD LYS 43 10.549 2.620 -3.974 273 HE2 LYS 43 2HE LYS 43 9.406 4.468 -5.087 274 HE3 LYS 43 1HE LYS 43 8.612 2.950 -5.514 275 HZ1 LYS 43 3HZ LYS 43 7.683 5.109 -3.756 276 HZ2 LYS 43 1HZ LYS 43 7.177 3.523 -3.432 277 HZ3 LYS 43 2HZ LYS 43 6.830 4.232 -4.937 278 H ILE 44 H ILE 44 11.963 2.475 -2.060 279 HA ILE 44 HA ILE 44 11.771 2.050 0.764 280 HB ILE 44 HB ILE 44 13.416 3.575 -0.304 281 HG12 ILE 44 2HG1 ILE 44 13.311 5.302 1.376 282 HG13 ILE 44 1HG1 ILE 44 11.570 5.083 1.567 283 HG21 ILE 44 1HG2 ILE 44 11.722 5.880 -0.528 284 HG22 ILE 44 2HG2 ILE 44 11.068 4.582 -1.528 285 HG23 ILE 44 3HG2 ILE 44 12.728 5.130 -1.767 286 HD11 ILE 44 3HD1 ILE 44 11.830 3.295 2.925 287 HD12 ILE 44 1HD1 ILE 44 13.491 3.856 3.108 288 HD13 ILE 44 2HD1 ILE 44 13.108 2.612 1.919 289 H CYS 45 H CYS 45 9.453 1.516 1.047 290 HA CYS 45 HA CYS 45 7.272 3.126 0.303 291 HB2 CYS 45 2HB CYS 45 6.299 2.342 2.600 292 HB3 CYS 45 1HB CYS 45 6.575 1.184 1.306 293 H ARG 46 H ARG 46 9.529 3.569 2.973 294 HA ARG 46 HA ARG 46 8.778 6.389 3.139 295 HB2 ARG 46 2HB ARG 46 7.413 4.552 4.798 296 HB3 ARG 46 1HB ARG 46 8.591 5.361 5.833 297 HG2 ARG 46 2HG ARG 46 7.759 7.539 5.188 298 HG3 ARG 46 1HG ARG 46 6.702 6.825 3.968 299 HD2 ARG 46 2HD ARG 46 5.301 5.830 5.611 300 HD3 ARG 46 1HD ARG 46 6.484 6.095 6.892 301 HE ARG 46 HE ARG 46 5.577 8.247 7.159 302 HH11 ARG 46 1HH1 ARG 46 6.266 9.188 4.399 303 HH12 ARG 46 2HH1 ARG 46 4.707 9.568 3.745 304 HH21 ARG 46 1HH2 ARG 46 2.969 7.790 6.164 305 HH22 ARG 46 2HH2 ARG 46 2.840 8.775 4.745 306 H ILE 47 H ILE 47 10.679 7.427 3.467 307 HA ILE 47 HA ILE 47 13.138 6.181 3.944 308 HB ILE 47 HB ILE 47 12.284 8.784 3.510 309 HG12 ILE 47 2HG1 ILE 47 14.305 7.850 2.588 310 HG13 ILE 47 1HG1 ILE 47 14.758 9.283 3.512 311 HG21 ILE 47 1HG2 ILE 47 13.178 10.182 5.253 312 HG22 ILE 47 2HG2 ILE 47 13.822 8.787 6.119 313 HG23 ILE 47 3HG2 ILE 47 12.078 9.036 6.023 314 HD11 ILE 47 3HD1 ILE 47 16.290 7.838 4.417 315 HD12 ILE 47 1HD1 ILE 47 15.307 6.415 4.074 316 HD13 ILE 47 2HD1 ILE 47 14.931 7.431 5.465 317 H ALA 48 H ALA 48 14.219 5.504 5.779 318 HA ALA 48 HA ALA 48 12.662 5.100 8.187 319 HB1 ALA 48 1HB ALA 48 15.367 4.395 7.210 320 HB2 ALA 48 2HB ALA 48 14.190 3.409 8.077 321 HB3 ALA 48 3HB ALA 48 15.207 4.546 8.960 322 H ARG 49 H ARG 49 12.211 6.823 9.484 323 HA ARG 49 HA ARG 49 14.424 8.761 10.024 324 HB2 ARG 49 2HB ARG 49 11.491 9.327 10.474 325 HB3 ARG 49 1HB ARG 49 12.817 10.479 10.318 326 HG2 ARG 49 2HG ARG 49 12.648 10.511 8.065 327 HG3 ARG 49 1HG ARG 49 12.567 8.753 7.969 328 HD2 ARG 49 2HD ARG 49 10.263 8.712 8.077 329 HD3 ARG 49 1HD ARG 49 10.178 10.187 9.039 330 HE ARG 49 HE ARG 49 11.103 11.091 6.610 331 HH11 ARG 49 1HH1 ARG 49 8.310 9.622 7.935 332 HH12 ARG 49 2HH1 ARG 49 7.341 9.851 6.519 333 HH21 ARG 49 1HH2 ARG 49 9.933 11.172 4.632 334 HH22 ARG 49 2HH2 ARG 49 8.258 10.728 4.648 335 H GLY 50 H GLY 50 15.328 7.885 11.884 336 HA2 GLY 50 2HA GLY 50 14.628 8.340 14.401 337 HA3 GLY 50 1HA GLY 50 13.509 7.025 14.067 338 H ASP 51 H ASP 51 15.121 5.396 12.495 339 HA ASP 51 HA ASP 51 17.740 4.891 13.336 340 HB2 ASP 51 2HB ASP 51 15.984 4.522 15.487 341 HB3 ASP 51 1HB ASP 51 16.354 2.894 14.918 342 H TRP 52 H TRP 52 14.704 3.083 13.010 343 HA TRP 52 HA TRP 52 15.623 0.704 11.933 344 HB2 TRP 52 2HB TRP 52 13.483 0.956 10.366 345 HB3 TRP 52 1HB TRP 52 13.318 0.688 12.100 346 HD1 TRP 52 HD TRP 52 12.824 3.302 9.401 347 HE1 TRP 52 1HE TRP 52 11.579 5.324 10.402 348 HE3 TRP 52 3HE TRP 52 12.937 2.050 14.352 349 HZ2 TRP 52 2HZ TRP 52 10.737 6.285 12.962 350 HZ3 TRP 52 3HZ TRP 52 11.905 3.533 16.047 351 HH2 TRP 52 HH TRP 52 10.807 5.647 15.360 352 H ASN 53 H ASN 53 15.524 0.039 9.529 353 HA ASN 53 HA ASN 53 17.243 1.928 8.042 354 HB2 ASN 53 2HB ASN 53 16.687 -0.983 7.965 355 HB3 ASN 53 1HB ASN 53 17.009 -0.229 6.404 356 HD21 ASN 53 1HD2 ASN 53 18.908 1.716 7.060 357 HD22 ASN 53 2HD2 ASN 53 20.301 0.974 7.687 358 H ASP 54 H ASP 54 16.781 2.169 5.648 359 HA ASP 54 HA ASP 54 14.457 3.519 5.065 360 HB2 ASP 54 2HB ASP 54 14.813 2.484 2.654 361 HB3 ASP 54 1HB ASP 54 16.019 3.575 3.335 362 H ASP 55 H ASP 55 12.309 2.971 4.950 363 HA ASP 55 HA ASP 55 11.485 0.219 5.383 364 HB2 ASP 55 2HB ASP 55 9.748 2.543 4.509 365 HB3 ASP 55 1HB ASP 55 9.231 1.072 5.335 366 H ARG 56 H ARG 56 11.591 -1.250 3.763 367 HA ARG 56 HA ARG 56 11.469 -0.428 0.944 368 HB2 ARG 56 2HB ARG 56 12.876 -2.348 2.218 369 HB3 ARG 56 1HB ARG 56 11.480 -3.297 1.713 370 HG2 ARG 56 2HG ARG 56 12.307 -3.397 -0.362 371 HG3 ARG 56 1HG ARG 56 12.231 -1.638 -0.475 372 HD2 ARG 56 2HD ARG 56 14.535 -2.510 -0.856 373 HD3 ARG 56 1HD ARG 56 14.445 -1.443 0.545 374 HE ARG 56 HE ARG 56 14.067 -3.946 1.640 375 HH11 ARG 56 1HH1 ARG 56 16.587 -1.972 0.700 376 HH12 ARG 56 2HH1 ARG 56 17.801 -3.207 0.698 377 HH21 ARG 56 1HH2 ARG 56 15.540 -5.800 1.137 378 HH22 ARG 56 2HH2 ARG 56 17.208 -5.375 0.946 379 H CYS 57 H CYS 57 10.002 -1.394 -0.553 380 HA CYS 57 HA CYS 57 7.320 -1.960 0.617 381 HB2 CYS 57 2HB CYS 57 8.265 -0.456 -1.672 382 HB3 CYS 57 1HB CYS 57 7.151 -1.715 -2.188 383 H THR 58 H THR 58 6.107 -3.732 -0.350 384 HA THR 58 HA THR 58 7.814 -6.031 -0.995 385 HB THR 58 HB THR 58 5.020 -6.605 -1.285 386 HG1 THR 58 1HG THR 58 4.550 -5.966 0.968 387 HG21 THR 58 3HG2 THR 58 5.577 -8.334 0.096 388 HG22 THR 58 1HG2 THR 58 6.433 -7.286 1.229 389 HG23 THR 58 2HG2 THR 58 7.225 -7.809 -0.259 390 H GLY 59 H GLY 59 5.898 -3.701 -2.689 391 HA2 GLY 59 2HA GLY 59 6.005 -3.385 -5.071 392 HA3 GLY 59 1HA GLY 59 6.584 -5.043 -5.240 393 H GLN 60 H GLN 60 4.816 -6.674 -4.277 394 HA GLN 60 HA GLN 60 2.396 -6.204 -5.868 395 HB2 GLN 60 2HB GLN 60 3.043 -8.531 -4.031 396 HB3 GLN 60 1HB GLN 60 1.820 -8.494 -5.302 397 HG2 GLN 60 2HG GLN 60 3.359 -9.169 -6.794 398 HG3 GLN 60 1HG GLN 60 4.303 -7.714 -6.472 399 HE21 GLN 60 1HE2 GLN 60 6.236 -7.951 -5.278 400 HE22 GLN 60 2HE2 GLN 60 6.750 -9.417 -4.593 401 H SER 61 H SER 61 3.270 -5.005 -3.004 402 HA SER 61 HA SER 61 0.529 -5.320 -1.839 403 HB2 SER 61 2HB SER 61 3.240 -5.203 -0.561 404 HB3 SER 61 1HB SER 61 1.847 -4.592 0.326 405 HG SER 61 HG SER 61 0.855 -6.681 -0.241 406 H ALA 62 H ALA 62 -0.575 -3.438 -1.396 407 HA ALA 62 HA ALA 62 0.469 -0.947 -2.486 408 HB1 ALA 62 1HB ALA 62 -1.900 -1.321 -2.683 409 HB2 ALA 62 2HB ALA 62 -1.694 -0.011 -1.520 410 HB3 ALA 62 3HB ALA 62 -2.054 -1.642 -0.956 411 H ASP 63 H ASP 63 -0.415 -2.061 0.798 412 HA ASP 63 HA ASP 63 0.805 0.321 1.998 413 HB2 ASP 63 2HB ASP 63 -0.344 -2.213 3.207 414 HB3 ASP 63 1HB ASP 63 0.282 -0.864 4.156 415 H CYS 64 H CYS 64 2.724 0.258 3.303 416 HA CYS 64 HA CYS 64 4.685 -1.689 2.336 417 HB2 CYS 64 2HB CYS 64 5.298 0.639 2.535 418 HB3 CYS 64 1HB CYS 64 4.934 0.647 4.245 419 HA PRO 65 HA PRO 65 4.058 -4.467 5.626 420 HB2 PRO 65 2HB PRO 65 6.167 -6.084 5.001 421 HB3 PRO 65 1HB PRO 65 4.637 -6.098 4.125 422 HG2 PRO 65 2HG PRO 65 7.280 -5.002 3.313 423 HG3 PRO 65 1HG PRO 65 5.941 -5.565 2.302 424 HD2 PRO 65 2HD PRO 65 6.586 -2.870 2.858 425 HD3 PRO 65 1HD PRO 65 5.084 -3.462 2.115 426 H ARG 66 H ARG 66 6.248 -2.074 5.909 427 HA ARG 66 HA ARG 66 7.327 -3.306 8.384 428 HB2 ARG 66 2HB ARG 66 9.515 -1.881 7.598 429 HB3 ARG 66 1HB ARG 66 9.335 -3.630 7.412 430 HG2 ARG 66 2HG ARG 66 8.174 -3.040 5.149 431 HG3 ARG 66 1HG ARG 66 8.959 -1.471 5.342 432 HD2 ARG 66 2HD ARG 66 10.225 -4.190 5.048 433 HD3 ARG 66 1HD ARG 66 10.537 -2.724 4.120 434 HE ARG 66 HE ARG 66 11.972 -1.968 5.868 435 HH11 ARG 66 1HH1 ARG 66 11.926 -5.177 6.038 436 HH12 ARG 66 2HH1 ARG 66 12.073 -5.338 7.756 437 HH21 ARG 66 1HH2 ARG 66 11.398 -1.996 8.393 438 HH22 ARG 66 2HH2 ARG 66 11.773 -3.537 9.088 439 H ASN 67 H ASN 67 5.309 -1.304 8.243 440 HA ASN 67 HA ASN 67 6.898 1.077 9.070 441 HB2 ASN 67 2HB ASN 67 4.477 0.772 7.553 442 HB3 ASN 67 1HB ASN 67 4.217 1.837 8.929 443 HD21 ASN 67 1HD2 ASN 67 7.365 1.446 7.320 444 HD22 ASN 67 2HD2 ASN 67 7.441 3.025 6.705 445 HA PRO 68 HA PRO 68 4.424 -0.345 12.847 446 HB2 PRO 68 2HB PRO 68 6.149 -2.068 14.107 447 HB3 PRO 68 1HB PRO 68 4.875 -2.623 13.013 448 HG2 PRO 68 2HG PRO 68 7.803 -2.451 12.530 449 HG3 PRO 68 1HG PRO 68 6.615 -3.562 11.832 450 HD2 PRO 68 2HD PRO 68 7.675 -1.295 10.541 451 HD3 PRO 68 1HD PRO 68 6.220 -2.189 10.064 452 H TRP 69 H TRP 69 7.468 0.649 11.805 453 HA TRP 69 HA TRP 69 8.378 1.688 14.440 454 HB2 TRP 69 2HB TRP 69 9.816 2.367 11.925 455 HB3 TRP 69 1HB TRP 69 10.465 1.829 13.474 456 HD1 TRP 69 HD TRP 69 9.873 0.610 10.060 457 HE1 TRP 69 1HE TRP 69 10.105 -1.956 9.963 458 HE3 TRP 69 3HE TRP 69 9.715 -0.401 14.995 459 HZ2 TRP 69 2HZ TRP 69 10.202 -4.173 11.797 460 HZ3 TRP 69 3HZ TRP 69 9.871 -2.743 15.840 461 HH2 TRP 69 HH TRP 69 10.110 -4.628 14.240 462 H ASN 70 H ASN 70 8.036 2.860 11.152 463 HA ASN 70 HA ASN 70 8.032 5.636 11.712 464 HB2 ASN 70 2HB ASN 70 6.302 4.499 9.527 465 HB3 ASN 70 1HB ASN 70 7.292 5.958 9.508 466 HD21 ASN 70 1HD2 ASN 70 9.140 5.692 8.253 467 HD22 ASN 70 2HD2 ASN 70 9.997 4.238 8.070 468 H GLY 71 H GLY 71 5.620 3.277 12.360 469 HA2 GLY 71 2HA GLY 71 3.709 3.644 13.750 470 HA3 GLY 71 1HA GLY 71 3.888 5.379 13.494 Start of MODEL 10 1 H GLY 1 1HT GLY 1 -17.363 -6.485 4.536 2 HA2 GLY 1 1HA GLY 1 -14.631 -5.447 4.957 3 HA3 GLY 1 2HA GLY 1 -15.219 -7.100 5.130 4 H LYS 2 H LYS 2 -16.645 -7.400 2.747 5 HA LYS 2 HA LYS 2 -14.413 -7.325 0.775 6 HB2 LYS 2 2HB LYS 2 -16.169 -9.367 1.548 7 HB3 LYS 2 1HB LYS 2 -16.745 -8.857 -0.039 8 HG2 LYS 2 2HG LYS 2 -14.580 -9.220 -1.029 9 HG3 LYS 2 1HG LYS 2 -13.841 -9.477 0.553 10 HD2 LYS 2 2HD LYS 2 -15.289 -11.479 0.873 11 HD3 LYS 2 1HD LYS 2 -15.930 -11.246 -0.755 12 HE2 LYS 2 2HE LYS 2 -14.229 -12.609 -1.395 13 HE3 LYS 2 1HE LYS 2 -13.225 -11.171 -1.213 14 HZ1 LYS 2 3HZ LYS 2 -12.417 -11.869 0.789 15 HZ2 LYS 2 1HZ LYS 2 -12.644 -13.372 0.036 16 HZ3 LYS 2 2HZ LYS 2 -13.787 -12.804 1.157 17 H GLU 3 H GLU 3 -16.450 -5.124 1.468 18 HA GLU 3 HA GLU 3 -17.459 -4.747 -1.325 19 HB2 GLU 3 2HB GLU 3 -18.781 -4.419 1.298 20 HB3 GLU 3 1HB GLU 3 -19.032 -3.085 0.172 21 HG2 GLU 3 2HG GLU 3 -19.674 -4.791 -1.575 22 HG3 GLU 3 1HG GLU 3 -19.624 -6.017 -0.308 23 H CYS 4 H CYS 4 -15.550 -3.511 1.239 24 HA CYS 4 HA CYS 4 -15.151 -0.980 -0.311 25 HB2 CYS 4 2HB CYS 4 -15.254 -1.384 2.691 26 HB3 CYS 4 1HB CYS 4 -14.613 0.075 1.941 27 H ASP 5 H ASP 5 -13.291 -1.665 -1.360 28 HA ASP 5 HA ASP 5 -11.147 -3.031 0.091 29 HB2 ASP 5 2HB ASP 5 -11.630 -3.506 -2.301 30 HB3 ASP 5 1HB ASP 5 -11.171 -1.851 -2.705 31 H CYS 6 H CYS 6 -12.098 0.203 -0.263 32 HA CYS 6 HA CYS 6 -9.369 1.079 0.581 33 HB2 CYS 6 2HB CYS 6 -9.601 3.117 -0.726 34 HB3 CYS 6 1HB CYS 6 -9.839 1.732 -1.791 35 H SER 7 H SER 7 -9.552 3.358 1.646 36 HA SER 7 HA SER 7 -11.989 3.334 3.379 37 HB2 SER 7 2HB SER 7 -9.145 3.571 3.957 38 HB3 SER 7 1HB SER 7 -10.056 4.923 4.625 39 HG SER 7 HG SER 7 -9.837 2.655 5.732 40 H SER 8 H SER 8 -10.175 5.184 1.094 41 HA SER 8 HA SER 8 -11.423 7.724 1.948 42 HB2 SER 8 2HB SER 8 -9.638 7.198 -0.439 43 HB3 SER 8 1HB SER 8 -10.045 8.766 0.251 44 HG SER 8 HG SER 8 -8.207 8.353 1.261 45 HA PRO 9 HA PRO 9 -14.738 6.827 -0.926 46 HB2 PRO 9 2HB PRO 9 -16.269 8.992 -0.200 47 HB3 PRO 9 1HB PRO 9 -16.207 7.484 0.729 48 HG2 PRO 9 2HG PRO 9 -14.957 10.121 1.346 49 HG3 PRO 9 1HG PRO 9 -15.464 8.834 2.452 50 HD2 PRO 9 2HD PRO 9 -12.808 9.362 1.629 51 HD3 PRO 9 1HD PRO 9 -13.373 7.895 2.458 52 H GLU 10 H GLU 10 -12.448 9.260 -0.982 53 HA GLU 10 HA GLU 10 -13.639 10.487 -3.438 54 HB2 GLU 10 2HB GLU 10 -13.265 12.081 -1.555 55 HB3 GLU 10 1HB GLU 10 -11.551 11.664 -1.577 56 HG2 GLU 10 2HG GLU 10 -11.242 13.229 -3.165 57 HG3 GLU 10 1HG GLU 10 -12.241 12.262 -4.251 58 H ASN 11 H ASN 11 -11.952 7.998 -3.041 59 HA ASN 11 HA ASN 11 -9.466 8.778 -4.454 60 HB2 ASN 11 2HB ASN 11 -9.845 6.991 -2.460 61 HB3 ASN 11 1HB ASN 11 -10.042 5.925 -3.850 62 HD21 ASN 11 1HD2 ASN 11 -7.948 4.891 -3.275 63 HD22 ASN 11 2HD2 ASN 11 -6.487 5.671 -3.641 64 HA PRO 12 HA PRO 12 -11.333 7.543 -8.280 65 HB2 PRO 12 2HB PRO 12 -9.045 7.707 -9.797 66 HB3 PRO 12 1HB PRO 12 -9.980 9.122 -9.283 67 HG2 PRO 12 2HG PRO 12 -7.366 8.125 -8.252 68 HG3 PRO 12 1HG PRO 12 -8.020 9.772 -8.248 69 HD2 PRO 12 2HD PRO 12 -7.955 8.002 -6.039 70 HD3 PRO 12 1HD PRO 12 -8.880 9.515 -6.139 71 H CYS 13 H CYS 13 -8.528 5.972 -6.878 72 HA CYS 13 HA CYS 13 -8.311 3.776 -8.701 73 HB2 CYS 13 2HB CYS 13 -7.645 3.919 -5.744 74 HB3 CYS 13 1HB CYS 13 -7.104 2.655 -6.848 75 H CYS 14 H CYS 14 -10.192 4.205 -5.705 76 HA CYS 14 HA CYS 14 -11.612 1.654 -6.369 77 HB2 CYS 14 2HB CYS 14 -12.116 1.425 -4.026 78 HB3 CYS 14 1HB CYS 14 -10.396 1.798 -4.144 79 H ASP 15 H ASP 15 -13.784 1.761 -6.765 80 HA ASP 15 HA ASP 15 -15.076 4.235 -7.302 81 HB2 ASP 15 2HB ASP 15 -15.718 1.833 -8.045 82 HB3 ASP 15 1HB ASP 15 -16.565 1.738 -6.500 83 H ALA 16 H ALA 16 -16.241 5.611 -5.986 84 HA ALA 16 HA ALA 16 -16.000 5.297 -3.110 85 HB1 ALA 16 1HB ALA 16 -16.544 7.500 -3.052 86 HB2 ALA 16 2HB ALA 16 -17.968 7.264 -4.067 87 HB3 ALA 16 3HB ALA 16 -16.375 7.439 -4.806 88 H ALA 17 H ALA 17 -18.576 4.827 -5.486 89 HA ALA 17 HA ALA 17 -20.703 4.467 -3.579 90 HB1 ALA 17 1HB ALA 17 -21.783 3.210 -5.538 91 HB2 ALA 17 2HB ALA 17 -20.323 3.595 -6.449 92 HB3 ALA 17 3HB ALA 17 -21.346 4.892 -5.834 93 H THR 18 H THR 18 -18.429 2.231 -5.142 94 HA THR 18 HA THR 18 -19.476 0.058 -3.381 95 HB THR 18 HB THR 18 -19.023 -1.454 -5.035 96 HG1 THR 18 1HG THR 18 -16.764 0.165 -5.495 97 HG21 THR 18 3HG2 THR 18 -18.689 0.899 -6.883 98 HG22 THR 18 1HG2 THR 18 -20.233 0.588 -6.091 99 HG23 THR 18 2HG2 THR 18 -19.537 -0.619 -7.173 100 H CYS 19 H CYS 19 -17.270 2.344 -3.161 101 HA CYS 19 HA CYS 19 -15.043 2.515 -2.366 102 HB2 CYS 19 2HB CYS 19 -14.892 1.041 -0.181 103 HB3 CYS 19 1HB CYS 19 -15.952 2.436 -0.241 104 H LYS 20 H LYS 20 -15.097 0.615 -4.503 105 HA LYS 20 HA LYS 20 -12.906 -1.159 -3.537 106 HB2 LYS 20 2HB LYS 20 -15.264 -2.043 -5.223 107 HB3 LYS 20 1HB LYS 20 -13.831 -3.023 -4.911 108 HG2 LYS 20 2HG LYS 20 -14.860 -1.978 -2.425 109 HG3 LYS 20 1HG LYS 20 -16.142 -2.819 -3.297 110 HD2 LYS 20 2HD LYS 20 -13.386 -3.977 -2.794 111 HD3 LYS 20 1HD LYS 20 -14.807 -4.330 -1.809 112 HE2 LYS 20 2HE LYS 20 -15.560 -5.827 -3.313 113 HE3 LYS 20 1HE LYS 20 -15.409 -4.657 -4.626 114 HZ1 LYS 20 3HZ LYS 20 -12.836 -5.361 -3.977 115 HZ2 LYS 20 1HZ LYS 20 -13.708 -5.863 -5.341 116 HZ3 LYS 20 2HZ LYS 20 -13.699 -6.823 -3.940 117 H LEU 21 H LEU 21 -11.604 -2.025 -5.414 118 HA LEU 21 HA LEU 21 -10.817 0.082 -7.160 119 HB2 LEU 21 2HB LEU 21 -10.234 -2.830 -6.926 120 HB3 LEU 21 1HB LEU 21 -9.867 -2.071 -8.474 121 HG LEU 21 HG LEU 21 -8.751 -0.218 -6.979 122 HD11 LEU 21 1HD1 LEU 21 -9.607 -2.071 -5.022 123 HD12 LEU 21 2HD1 LEU 21 -8.578 -0.661 -4.778 124 HD13 LEU 21 3HD1 LEU 21 -7.854 -2.234 -5.117 125 HD21 LEU 21 3HD2 LEU 21 -7.670 -1.885 -8.578 126 HD22 LEU 21 1HD2 LEU 21 -7.396 -2.916 -7.175 127 HD23 LEU 21 2HD2 LEU 21 -6.645 -1.322 -7.258 128 H ARG 22 H ARG 22 -12.117 0.912 -8.727 129 HA ARG 22 HA ARG 22 -14.157 -0.768 -9.993 130 HB2 ARG 22 2HB ARG 22 -14.010 1.918 -9.426 131 HB3 ARG 22 1HB ARG 22 -13.692 1.887 -11.162 132 HG2 ARG 22 2HG ARG 22 -15.813 0.049 -10.618 133 HG3 ARG 22 1HG ARG 22 -16.199 1.583 -9.837 134 HD2 ARG 22 2HD ARG 22 -15.981 2.790 -11.894 135 HD3 ARG 22 1HD ARG 22 -15.255 1.402 -12.705 136 HE ARG 22 HE ARG 22 -18.102 1.846 -12.314 137 HH11 ARG 22 1HH1 ARG 22 -16.469 0.304 -14.489 138 HH12 ARG 22 2HH1 ARG 22 -17.113 -1.288 -14.267 139 HH21 ARG 22 1HH2 ARG 22 -18.567 -0.560 -11.204 140 HH22 ARG 22 2HH2 ARG 22 -18.300 -1.777 -12.407 141 HA PRO 23 HA PRO 23 -11.420 0.072 -13.814 142 HB2 PRO 23 2HB PRO 23 -9.024 1.358 -13.412 143 HB3 PRO 23 1HB PRO 23 -10.545 2.202 -13.752 144 HG2 PRO 23 2HG PRO 23 -9.060 1.983 -11.181 145 HG3 PRO 23 1HG PRO 23 -10.200 3.229 -11.716 146 HD2 PRO 23 2HD PRO 23 -10.756 1.087 -9.929 147 HD3 PRO 23 1HD PRO 23 -11.943 2.189 -10.660 148 H GLY 24 H GLY 24 -9.420 -1.006 -14.717 149 HA2 GLY 24 2HA GLY 24 -8.761 -3.389 -13.274 150 HA3 GLY 24 1HA GLY 24 -7.942 -2.828 -14.732 151 H ALA 25 H ALA 25 -8.116 -2.236 -11.221 152 HA ALA 25 HA ALA 25 -5.233 -1.442 -11.344 153 HB1 ALA 25 1HB ALA 25 -5.984 0.505 -10.457 154 HB2 ALA 25 2HB ALA 25 -6.190 -0.412 -8.965 155 HB3 ALA 25 3HB ALA 25 -7.556 -0.185 -10.057 156 H GLN 26 H GLN 26 -4.131 -1.860 -9.144 157 HA GLN 26 HA GLN 26 -4.846 -4.610 -8.312 158 HB2 GLN 26 2HB GLN 26 -2.403 -2.908 -8.204 159 HB3 GLN 26 1HB GLN 26 -2.601 -4.104 -6.926 160 HG2 GLN 26 2HG GLN 26 -1.392 -5.177 -8.707 161 HG3 GLN 26 1HG GLN 26 -3.034 -5.821 -8.740 162 HE21 GLN 26 1HE2 GLN 26 -3.668 -6.031 -10.890 163 HE22 GLN 26 2HE2 GLN 26 -3.378 -4.885 -12.107 164 H CYS 27 H CYS 27 -4.280 -1.404 -6.865 165 HA CYS 27 HA CYS 27 -6.003 -2.253 -4.596 166 HB2 CYS 27 2HB CYS 27 -4.195 -2.376 -3.247 167 HB3 CYS 27 1HB CYS 27 -3.140 -1.729 -4.494 168 H GLY 28 H GLY 28 -6.631 -0.238 -3.272 169 HA2 GLY 28 2HA GLY 28 -7.270 1.936 -5.186 170 HA3 GLY 28 1HA GLY 28 -8.115 1.636 -3.673 171 H GLU 29 H GLU 29 -5.899 1.361 -1.990 172 HA GLU 29 HA GLU 29 -4.310 3.823 -2.322 173 HB2 GLU 29 2HB GLU 29 -4.989 4.653 -0.113 174 HB3 GLU 29 1HB GLU 29 -6.367 4.553 -1.197 175 HG2 GLU 29 2HG GLU 29 -7.374 2.936 0.033 176 HG3 GLU 29 1HG GLU 29 -5.857 2.084 0.323 177 H GLY 30 H GLY 30 -2.403 3.809 -0.996 178 HA2 GLY 30 2HA GLY 30 -1.653 2.266 1.122 179 HA3 GLY 30 1HA GLY 30 -1.569 1.104 -0.204 180 H LEU 31 H LEU 31 0.649 2.237 1.423 181 HA LEU 31 HA LEU 31 2.120 4.220 0.043 182 HB2 LEU 31 2HB LEU 31 2.964 1.863 1.734 183 HB3 LEU 31 1HB LEU 31 4.152 2.958 1.024 184 HG LEU 31 HG LEU 31 1.835 4.109 2.543 185 HD11 LEU 31 1HD1 LEU 31 3.118 2.198 3.825 186 HD12 LEU 31 2HD1 LEU 31 2.788 3.729 4.636 187 HD13 LEU 31 3HD1 LEU 31 4.387 3.414 3.964 188 HD21 LEU 31 3HD2 LEU 31 4.357 4.977 1.395 189 HD22 LEU 31 1HD2 LEU 31 4.274 5.389 3.107 190 HD23 LEU 31 2HD2 LEU 31 3.020 5.952 2.003 191 H CYS 32 H CYS 32 1.515 0.889 -0.748 192 HA CYS 32 HA CYS 32 3.542 1.026 -2.930 193 HB2 CYS 32 2HB CYS 32 2.976 -0.993 -1.111 194 HB3 CYS 32 1HB CYS 32 2.179 -1.530 -2.592 195 H CYS 33 H CYS 33 0.836 2.313 -2.925 196 HA CYS 33 HA CYS 33 -0.321 0.830 -5.249 197 HB2 CYS 33 2HB CYS 33 -1.702 2.699 -3.302 198 HB3 CYS 33 1HB CYS 33 -2.475 1.887 -4.663 199 H GLU 34 H GLU 34 1.118 1.955 -6.703 200 HA GLU 34 HA GLU 34 0.794 4.901 -6.862 201 HB2 GLU 34 2HB GLU 34 2.626 3.050 -8.418 202 HB3 GLU 34 1HB GLU 34 2.667 4.813 -8.444 203 HG2 GLU 34 2HG GLU 34 2.852 3.438 -5.794 204 HG3 GLU 34 1HG GLU 34 4.276 3.433 -6.836 205 H GLN 35 H GLN 35 -0.950 5.507 -8.049 206 HA GLN 35 HA GLN 35 -2.282 5.744 -9.975 207 HB2 GLN 35 2HB GLN 35 0.057 4.850 -11.033 208 HB3 GLN 35 1HB GLN 35 -1.010 3.508 -11.446 209 HG2 GLN 35 2HG GLN 35 -2.341 6.031 -11.933 210 HG3 GLN 35 1HG GLN 35 -0.799 5.976 -12.789 211 HE21 GLN 35 1HE2 GLN 35 -0.668 3.163 -13.313 212 HE22 GLN 35 2HE2 GLN 35 -1.919 2.759 -14.387 213 H CYS 36 H CYS 36 -2.613 3.742 -7.749 214 HA CYS 36 HA CYS 36 -4.346 2.235 -7.215 215 HB2 CYS 36 2HB CYS 36 -5.084 2.088 -10.133 216 HB3 CYS 36 1HB CYS 36 -6.127 1.912 -8.717 217 H LYS 37 H LYS 37 -1.585 1.608 -8.501 218 HA LYS 37 HA LYS 37 -2.194 -1.270 -9.042 219 HB2 LYS 37 2HB LYS 37 0.074 0.333 -10.258 220 HB3 LYS 37 1HB LYS 37 -0.369 -1.332 -10.638 221 HG2 LYS 37 2HG LYS 37 -2.656 0.432 -10.913 222 HG3 LYS 37 1HG LYS 37 -1.312 0.982 -11.916 223 HD2 LYS 37 2HD LYS 37 -1.275 -1.759 -12.294 224 HD3 LYS 37 1HD LYS 37 -3.000 -1.400 -12.204 225 HE2 LYS 37 2HE LYS 37 -2.945 -0.003 -14.067 226 HE3 LYS 37 1HE LYS 37 -1.226 0.346 -13.881 227 HZ1 LYS 37 3HZ LYS 37 -0.765 -1.972 -14.493 228 HZ2 LYS 37 1HZ LYS 37 -1.551 -1.123 -15.732 229 HZ3 LYS 37 2HZ LYS 37 -2.423 -2.221 -14.773 230 H PHE 38 H PHE 38 -0.369 -2.734 -8.439 231 HA PHE 38 HA PHE 38 0.755 -1.942 -5.862 232 HB2 PHE 38 2HB PHE 38 1.053 -4.443 -7.546 233 HB3 PHE 38 1HB PHE 38 1.836 -4.233 -5.984 234 HD1 PHE 38 2HD PHE 38 -0.343 -2.679 -4.575 235 HD2 PHE 38 1HD PHE 38 -0.497 -6.181 -7.058 236 HE1 PHE 38 2HE PHE 38 -2.424 -3.395 -3.435 237 HE2 PHE 38 1HE PHE 38 -2.577 -6.899 -5.913 238 HZ PHE 38 HZ PHE 38 -3.540 -5.505 -4.103 239 H SER 39 H SER 39 2.607 -0.762 -5.724 240 HA SER 39 HA SER 39 4.326 -0.228 -7.935 241 HB2 SER 39 2HB SER 39 5.060 -0.126 -4.995 242 HB3 SER 39 1HB SER 39 5.853 0.741 -6.306 243 HG SER 39 HG SER 39 4.421 2.160 -5.439 244 H ARG 40 H ARG 40 6.923 -0.748 -7.182 245 HA ARG 40 HA ARG 40 7.024 -3.688 -7.539 246 HB2 ARG 40 2HB ARG 40 8.371 -1.785 -8.849 247 HB3 ARG 40 1HB ARG 40 9.494 -2.007 -7.507 248 HG2 ARG 40 2HG ARG 40 10.319 -3.740 -8.708 249 HG3 ARG 40 1HG ARG 40 8.869 -4.606 -8.197 250 HD2 ARG 40 2HD ARG 40 7.844 -3.259 -10.293 251 HD3 ARG 40 1HD ARG 40 9.519 -3.389 -10.833 252 HE ARG 40 HE ARG 40 7.947 -5.801 -10.017 253 HH11 ARG 40 1HH2 ARG 40 10.789 -4.671 -11.395 254 HH12 ARG 40 2HH2 ARG 40 10.752 -5.725 -12.769 255 HH21 ARG 40 1HH1 ARG 40 7.562 -6.911 -12.104 256 HH22 ARG 40 2HH1 ARG 40 8.925 -6.994 -13.170 257 H ALA 41 H ALA 41 8.929 -4.785 -6.340 258 HA ALA 41 HA ALA 41 8.626 -4.157 -3.473 259 HB1 ALA 41 1HB ALA 41 10.487 -6.311 -4.284 260 HB2 ALA 41 2HB ALA 41 8.822 -6.531 -4.821 261 HB3 ALA 41 3HB ALA 41 9.177 -6.344 -3.103 262 H GLY 42 H GLY 42 10.625 -4.097 -2.091 263 HA2 GLY 42 2HA GLY 42 12.766 -3.229 -1.619 264 HA3 GLY 42 1HA GLY 42 13.175 -3.488 -3.318 265 H LYS 43 H LYS 43 10.289 -1.727 -2.608 266 HA LYS 43 HA LYS 43 11.601 0.723 -3.693 267 HB2 LYS 43 2HB LYS 43 9.692 0.775 -4.908 268 HB3 LYS 43 1HB LYS 43 8.950 -0.470 -3.912 269 HG2 LYS 43 2HG LYS 43 7.564 1.483 -3.700 270 HG3 LYS 43 1HG LYS 43 8.461 1.362 -2.196 271 HD2 LYS 43 2HD LYS 43 8.755 3.614 -2.738 272 HD3 LYS 43 1HD LYS 43 10.204 2.892 -3.440 273 HE2 LYS 43 2HE LYS 43 9.567 3.455 -5.530 274 HE3 LYS 43 1HE LYS 43 7.959 2.772 -5.287 275 HZ1 LYS 43 3HZ LYS 43 8.500 5.399 -5.542 276 HZ2 LYS 43 1HZ LYS 43 8.429 5.229 -3.856 277 HZ3 LYS 43 2HZ LYS 43 7.103 4.764 -4.812 278 H ILE 44 H ILE 44 11.859 2.557 -2.442 279 HA ILE 44 HA ILE 44 11.625 2.312 0.400 280 HB ILE 44 HB ILE 44 12.355 4.472 -1.512 281 HG12 ILE 44 2HG1 ILE 44 14.019 3.030 -0.419 282 HG13 ILE 44 1HG1 ILE 44 14.204 4.695 0.137 283 HG21 ILE 44 1HG2 ILE 44 10.969 5.933 -0.351 284 HG22 ILE 44 2HG2 ILE 44 12.402 5.988 0.676 285 HG23 ILE 44 3HG2 ILE 44 11.031 4.977 1.129 286 HD11 ILE 44 3HD1 ILE 44 12.302 3.579 1.864 287 HD12 ILE 44 1HD1 ILE 44 13.991 3.920 2.244 288 HD13 ILE 44 2HD1 ILE 44 13.520 2.320 1.669 289 H CYS 45 H CYS 45 9.681 2.059 1.325 290 HA CYS 45 HA CYS 45 7.406 3.716 0.339 291 HB2 CYS 45 2HB CYS 45 6.140 2.009 1.938 292 HB3 CYS 45 1HB CYS 45 6.529 1.577 0.277 293 H ARG 46 H ARG 46 9.544 3.151 2.935 294 HA ARG 46 HA ARG 46 8.470 5.443 4.391 295 HB2 ARG 46 2HB ARG 46 7.473 2.897 5.070 296 HB3 ARG 46 1HB ARG 46 8.662 3.286 6.315 297 HG2 ARG 46 2HG ARG 46 7.206 5.666 5.823 298 HG3 ARG 46 1HG ARG 46 6.018 4.370 5.958 299 HD2 ARG 46 2HD ARG 46 8.157 4.196 7.961 300 HD3 ARG 46 1HD ARG 46 7.196 5.669 8.091 301 HE ARG 46 HE ARG 46 5.178 4.175 8.240 302 HH11 ARG 46 1HH2 ARG 46 6.840 1.708 7.422 303 HH12 ARG 46 2HH2 ARG 46 6.959 0.890 8.944 304 HH21 ARG 46 1HH1 ARG 46 5.967 3.646 10.801 305 HH22 ARG 46 2HH1 ARG 46 6.464 1.988 10.857 306 H ILE 47 H ILE 47 9.955 6.127 6.086 307 HA ILE 47 HA ILE 47 12.712 5.281 5.506 308 HB ILE 47 HB ILE 47 11.895 7.708 5.888 309 HG12 ILE 47 2HG1 ILE 47 14.142 7.436 7.720 310 HG13 ILE 47 1HG1 ILE 47 14.343 6.414 6.298 311 HG21 ILE 47 1HG2 ILE 47 11.635 8.467 8.110 312 HG22 ILE 47 2HG2 ILE 47 12.344 6.999 8.786 313 HG23 ILE 47 3HG2 ILE 47 10.731 6.953 8.073 314 HD11 ILE 47 3HD1 ILE 47 13.309 9.056 5.609 315 HD12 ILE 47 1HD1 ILE 47 14.703 8.195 4.955 316 HD13 ILE 47 2HD1 ILE 47 14.868 9.148 6.431 317 H ALA 48 H ALA 48 14.202 4.801 7.366 318 HA ALA 48 HA ALA 48 12.824 2.989 9.277 319 HB1 ALA 48 1HB ALA 48 15.560 2.706 9.666 320 HB2 ALA 48 2HB ALA 48 15.426 3.028 7.937 321 HB3 ALA 48 3HB ALA 48 14.554 1.671 8.651 322 H ARG 49 H ARG 49 12.126 4.314 10.953 323 HA ARG 49 HA ARG 49 13.699 6.503 11.996 324 HB2 ARG 49 2HB ARG 49 11.242 5.024 12.910 325 HB3 ARG 49 1HB ARG 49 12.035 6.172 13.990 326 HG2 ARG 49 2HG ARG 49 11.449 6.999 11.167 327 HG3 ARG 49 1HG ARG 49 10.140 6.999 12.349 328 HD2 ARG 49 2HD ARG 49 10.889 9.065 12.907 329 HD3 ARG 49 1HD ARG 49 12.184 8.211 13.744 330 HE ARG 49 HE ARG 49 13.206 8.401 11.228 331 HH11 ARG 49 1HH1 ARG 49 11.259 10.699 10.836 332 HH12 ARG 49 2HH1 ARG 49 12.238 12.056 11.285 333 HH21 ARG 49 1HH2 ARG 49 14.648 10.130 12.870 334 HH22 ARG 49 2HH2 ARG 49 14.157 11.733 12.436 335 H GLY 50 H GLY 50 15.720 5.888 12.732 336 HA2 GLY 50 2HA GLY 50 16.481 5.166 15.140 337 HA3 GLY 50 1HA GLY 50 15.879 3.592 14.622 338 H ASP 51 H ASP 51 17.406 2.278 13.745 339 HA ASP 51 HA ASP 51 19.516 3.429 12.027 340 HB2 ASP 51 2HB ASP 51 19.965 2.677 14.784 341 HB3 ASP 51 1HB ASP 51 20.899 1.633 13.711 342 H TRP 52 H TRP 52 17.440 1.845 11.180 343 HA TRP 52 HA TRP 52 18.823 -0.750 10.650 344 HB2 TRP 52 2HB TRP 52 16.157 -1.386 10.392 345 HB3 TRP 52 1HB TRP 52 17.140 -1.734 11.812 346 HD1 TRP 52 HD TRP 52 14.733 0.954 10.458 347 HE1 TRP 52 1HE TRP 52 13.663 2.168 12.465 348 HE3 TRP 52 3HE TRP 52 17.310 -1.230 14.285 349 HZ2 TRP 52 2HZ TRP 52 13.873 2.208 15.317 350 HZ3 TRP 52 3HZ TRP 52 16.857 -0.587 16.635 351 HH2 TRP 52 HH TRP 52 15.143 1.128 17.156 352 H ASN 53 H ASN 53 17.252 -1.813 8.734 353 HA ASN 53 HA ASN 53 17.815 -0.162 6.434 354 HB2 ASN 53 2HB ASN 53 16.802 -2.859 6.963 355 HB3 ASN 53 1HB ASN 53 16.021 -2.101 5.575 356 HD21 ASN 53 1HD2 ASN 53 18.051 -0.605 4.426 357 HD22 ASN 53 2HD2 ASN 53 19.342 -1.608 3.967 358 H ASP 54 H ASP 54 16.471 1.227 5.333 359 HA ASP 54 HA ASP 54 14.139 2.294 6.559 360 HB2 ASP 54 2HB ASP 54 15.268 2.404 3.770 361 HB3 ASP 54 1HB ASP 54 13.687 3.109 4.112 362 H ASP 55 H ASP 55 11.945 2.296 5.199 363 HA ASP 55 HA ASP 55 11.044 -0.485 5.176 364 HB2 ASP 55 2HB ASP 55 9.806 2.183 5.159 365 HB3 ASP 55 1HB ASP 55 8.952 1.000 4.169 366 H ARG 56 H ARG 56 10.768 -1.752 3.382 367 HA ARG 56 HA ARG 56 11.160 -0.447 0.711 368 HB2 ARG 56 2HB ARG 56 12.017 -3.178 1.712 369 HB3 ARG 56 1HB ARG 56 12.050 -2.713 0.011 370 HG2 ARG 56 2HG ARG 56 13.408 -1.035 2.121 371 HG3 ARG 56 1HG ARG 56 14.230 -2.401 1.364 372 HD2 ARG 56 2HD ARG 56 14.136 -1.416 -0.785 373 HD3 ARG 56 1HD ARG 56 12.898 -0.261 -0.294 374 HE ARG 56 HE ARG 56 14.741 0.761 1.173 375 HH11 ARG 56 1HH1 ARG 56 16.349 -1.650 -0.290 376 HH12 ARG 56 2HH1 ARG 56 17.443 -0.673 -1.211 377 HH21 ARG 56 1HH2 ARG 56 15.734 2.283 -0.602 378 HH22 ARG 56 2HH2 ARG 56 17.094 1.554 -1.388 379 H CYS 57 H CYS 57 9.544 -0.717 -0.707 380 HA CYS 57 HA CYS 57 7.048 -1.875 0.002 381 HB2 CYS 57 2HB CYS 57 8.191 -0.491 -2.224 382 HB3 CYS 57 1HB CYS 57 7.316 -1.892 -2.831 383 H THR 58 H THR 58 6.085 -3.840 -0.677 384 HA THR 58 HA THR 58 7.964 -6.065 -0.997 385 HB THR 58 HB THR 58 5.215 -6.857 -1.282 386 HG1 THR 58 1HG THR 58 4.430 -5.187 -0.230 387 HG21 THR 58 3HG2 THR 58 7.364 -7.143 0.820 388 HG22 THR 58 1HG2 THR 58 6.806 -8.350 -0.340 389 HG23 THR 58 2HG2 THR 58 5.769 -7.875 1.005 390 H GLY 59 H GLY 59 6.057 -4.078 -3.061 391 HA2 GLY 59 2HA GLY 59 5.964 -4.088 -5.421 392 HA3 GLY 59 1HA GLY 59 7.012 -5.506 -5.411 393 H GLN 60 H GLN 60 4.189 -5.636 -3.434 394 HA GLN 60 HA GLN 60 2.513 -6.873 -5.508 395 HB2 GLN 60 2HB GLN 60 4.281 -8.504 -4.065 396 HB3 GLN 60 1HB GLN 60 2.716 -8.732 -3.283 397 HG2 GLN 60 2HG GLN 60 2.337 -8.683 -6.132 398 HG3 GLN 60 1HG GLN 60 3.603 -9.848 -5.741 399 HE21 GLN 60 1HE2 GLN 60 2.971 -11.808 -4.734 400 HE22 GLN 60 2HE2 GLN 60 1.372 -12.164 -4.290 401 H SER 61 H SER 61 3.022 -6.070 -2.092 402 HA SER 61 HA SER 61 0.134 -6.227 -1.533 403 HB2 SER 61 2HB SER 61 2.579 -5.539 0.088 404 HB3 SER 61 1HB SER 61 0.966 -5.197 0.707 405 HG SER 61 HG SER 61 1.287 -7.224 1.363 406 H ALA 62 H ALA 62 -0.992 -4.276 -0.623 407 HA ALA 62 HA ALA 62 -0.460 -1.949 -2.331 408 HB1 ALA 62 1HB ALA 62 -2.650 -2.872 -0.553 409 HB2 ALA 62 2HB ALA 62 -2.734 -2.078 -2.123 410 HB3 ALA 62 3HB ALA 62 -2.446 -1.123 -0.670 411 H ASP 63 H ASP 63 -0.675 -2.508 1.203 412 HA ASP 63 HA ASP 63 0.534 0.101 1.745 413 HB2 ASP 63 2HB ASP 63 0.346 -2.098 3.786 414 HB3 ASP 63 1HB ASP 63 0.144 -0.360 4.003 415 H CYS 64 H CYS 64 2.498 -0.075 3.441 416 HA CYS 64 HA CYS 64 4.515 -1.814 2.094 417 HB2 CYS 64 2HB CYS 64 5.137 0.476 1.885 418 HB3 CYS 64 1HB CYS 64 4.763 0.816 3.571 419 HA PRO 65 HA PRO 65 4.783 -4.121 5.787 420 HB2 PRO 65 2HB PRO 65 7.008 -5.529 5.044 421 HB3 PRO 65 1HB PRO 65 5.391 -5.893 4.444 422 HG2 PRO 65 2HG PRO 65 7.684 -4.603 3.057 423 HG3 PRO 65 1HG PRO 65 6.309 -5.486 2.371 424 HD2 PRO 65 2HD PRO 65 6.616 -2.675 2.444 425 HD3 PRO 65 1HD PRO 65 5.130 -3.562 2.045 426 H ARG 66 H ARG 66 5.645 -3.413 7.703 427 HA ARG 66 HA ARG 66 8.078 -1.749 7.671 428 HB2 ARG 66 2HB ARG 66 7.567 -1.589 10.170 429 HB3 ARG 66 1HB ARG 66 6.342 -0.919 9.090 430 HG2 ARG 66 2HG ARG 66 4.840 -2.629 9.508 431 HG3 ARG 66 1HG ARG 66 6.112 -3.800 9.860 432 HD2 ARG 66 2HD ARG 66 6.565 -2.128 11.895 433 HD3 ARG 66 1HD ARG 66 4.857 -1.766 11.652 434 HE ARG 66 HE ARG 66 4.884 -4.513 11.703 435 HH11 ARG 66 1HH2 ARG 66 5.144 -1.923 13.850 436 HH12 ARG 66 2HH2 ARG 66 5.503 -2.893 15.239 437 HH21 ARG 66 1HH1 ARG 66 5.800 -5.838 13.436 438 HH22 ARG 66 2HH1 ARG 66 5.875 -5.109 15.005 439 H ASN 67 H ASN 67 9.884 -2.227 9.124 440 HA ASN 67 HA ASN 67 10.566 -5.079 9.086 441 HB2 ASN 67 2HB ASN 67 12.029 -2.566 9.914 442 HB3 ASN 67 1HB ASN 67 12.709 -4.168 10.192 443 HD21 ASN 67 1HD2 ASN 67 14.276 -2.811 8.527 444 HD22 ASN 67 2HD2 ASN 67 14.021 -3.209 6.898 445 HA PRO 68 HA PRO 68 9.591 -5.897 13.298 446 HB2 PRO 68 2HB PRO 68 11.519 -7.760 13.891 447 HB3 PRO 68 1HB PRO 68 10.121 -8.096 12.855 448 HG2 PRO 68 2HG PRO 68 12.971 -7.689 12.085 449 HG3 PRO 68 1HG PRO 68 11.700 -8.589 11.242 450 HD2 PRO 68 2HD PRO 68 12.633 -5.988 10.585 451 HD3 PRO 68 1HD PRO 68 11.184 -6.782 9.931 452 H TRP 69 H TRP 69 11.592 -3.633 12.807 453 HA TRP 69 HA TRP 69 12.863 -3.736 15.503 454 HB2 TRP 69 2HB TRP 69 14.170 -2.467 13.086 455 HB3 TRP 69 1HB TRP 69 14.895 -2.800 14.661 456 HD1 TRP 69 HD TRP 69 15.038 -4.109 11.357 457 HE1 TRP 69 1HE TRP 69 15.607 -6.623 11.311 458 HE3 TRP 69 3HE TRP 69 14.087 -5.312 16.222 459 HZ2 TRP 69 2HZ TRP 69 15.653 -8.851 13.104 460 HZ3 TRP 69 3HZ TRP 69 14.401 -7.636 17.029 461 HH2 TRP 69 HH TRP 69 15.180 -9.406 15.478 462 H ASN 70 H ASN 70 10.385 -2.475 14.329 463 HA ASN 70 HA ASN 70 11.030 0.406 14.483 464 HB2 ASN 70 2HB ASN 70 8.425 -1.053 13.959 465 HB3 ASN 70 1HB ASN 70 8.611 0.702 13.940 466 HD21 ASN 70 1HD2 ASN 70 11.006 1.073 12.589 467 HD22 ASN 70 2HD2 ASN 70 10.907 0.428 11.022 468 H GLY 71 H GLY 71 7.990 -0.710 15.738 469 HA2 GLY 71 2HA GLY 71 8.015 -1.248 18.302 470 HA3 GLY 71 1HA GLY 71 8.797 0.330 18.408 Start of MODEL 11 1 H GLY 1 1HT GLY 1 -7.857 -5.751 5.757 2 HA2 GLY 1 1HA GLY 1 -8.626 -5.258 3.758 3 HA3 GLY 1 2HA GLY 1 -8.196 -6.885 3.232 4 H LYS 2 H LYS 2 -10.785 -4.915 4.609 5 HA LYS 2 HA LYS 2 -12.709 -7.140 4.364 6 HB2 LYS 2 2HB LYS 2 -13.176 -4.246 5.150 7 HB3 LYS 2 1HB LYS 2 -14.315 -5.580 5.345 8 HG2 LYS 2 2HG LYS 2 -13.416 -5.955 7.374 9 HG3 LYS 2 1HG LYS 2 -11.937 -6.462 6.556 10 HD2 LYS 2 2HD LYS 2 -11.169 -4.098 6.526 11 HD3 LYS 2 1HD LYS 2 -12.621 -3.634 7.414 12 HE2 LYS 2 2HE LYS 2 -11.736 -5.635 9.004 13 HE3 LYS 2 1HE LYS 2 -10.196 -5.060 8.366 14 HZ1 LYS 2 3HZ LYS 2 -10.336 -3.191 9.543 15 HZ2 LYS 2 1HZ LYS 2 -11.564 -3.953 10.430 16 HZ3 LYS 2 2HZ LYS 2 -11.965 -2.935 9.131 17 H GLU 3 H GLU 3 -14.848 -5.096 3.629 18 HA GLU 3 HA GLU 3 -14.512 -5.390 0.713 19 HB2 GLU 3 2HB GLU 3 -16.738 -5.126 2.569 20 HB3 GLU 3 1HB GLU 3 -16.899 -4.010 1.212 21 HG2 GLU 3 2HG GLU 3 -17.877 -5.922 0.319 22 HG3 GLU 3 1HG GLU 3 -16.206 -6.124 -0.212 23 H CYS 4 H CYS 4 -12.977 -3.375 2.415 24 HA CYS 4 HA CYS 4 -13.648 -1.002 0.727 25 HB2 CYS 4 2HB CYS 4 -13.020 -1.087 3.688 26 HB3 CYS 4 1HB CYS 4 -12.885 0.390 2.741 27 H ASP 5 H ASP 5 -11.956 -1.532 -0.692 28 HA ASP 5 HA ASP 5 -9.276 -2.132 0.221 29 HB2 ASP 5 2HB ASP 5 -10.601 -2.404 -2.160 30 HB3 ASP 5 1HB ASP 5 -9.581 -1.003 -2.491 31 H CYS 6 H CYS 6 -11.048 0.809 -0.303 32 HA CYS 6 HA CYS 6 -8.513 2.320 0.170 33 HB2 CYS 6 2HB CYS 6 -9.250 4.072 -1.306 34 HB3 CYS 6 1HB CYS 6 -9.401 2.552 -2.186 35 H SER 7 H SER 7 -9.009 4.566 1.090 36 HA SER 7 HA SER 7 -11.316 4.350 2.984 37 HB2 SER 7 2HB SER 7 -8.540 5.484 3.349 38 HB3 SER 7 1HB SER 7 -9.864 5.896 4.435 39 HG SER 7 HG SER 7 -9.242 4.112 5.384 40 H SER 8 H SER 8 -10.145 6.036 0.332 41 HA SER 8 HA SER 8 -11.489 8.562 1.179 42 HB2 SER 8 2HB SER 8 -9.609 8.019 -1.135 43 HB3 SER 8 1HB SER 8 -10.335 9.580 -0.770 44 HG SER 8 HG SER 8 -8.238 9.361 0.128 45 HA PRO 9 HA PRO 9 -14.755 7.189 -1.541 46 HB2 PRO 9 2HB PRO 9 -16.434 9.299 -1.004 47 HB3 PRO 9 1HB PRO 9 -16.246 7.900 0.069 48 HG2 PRO 9 2HG PRO 9 -15.195 10.670 0.397 49 HG3 PRO 9 1HG PRO 9 -15.580 9.462 1.634 50 HD2 PRO 9 2HD PRO 9 -12.986 10.108 0.694 51 HD3 PRO 9 1HD PRO 9 -13.419 8.699 1.685 52 H GLU 10 H GLU 10 -13.027 10.203 -1.630 53 HA GLU 10 HA GLU 10 -14.246 11.119 -4.139 54 HB2 GLU 10 2HB GLU 10 -11.661 12.126 -2.939 55 HB3 GLU 10 1HB GLU 10 -12.802 12.998 -3.961 56 HG2 GLU 10 2HG GLU 10 -13.954 13.686 -2.156 57 HG3 GLU 10 1HG GLU 10 -14.173 12.018 -1.628 58 H ASN 11 H ASN 11 -12.228 8.639 -3.431 59 HA ASN 11 HA ASN 11 -10.291 9.007 -5.603 60 HB2 ASN 11 2HB ASN 11 -9.929 7.764 -3.354 61 HB3 ASN 11 1HB ASN 11 -10.812 6.440 -4.112 62 HD21 ASN 11 1HD2 ASN 11 -8.480 5.460 -3.723 63 HD22 ASN 11 2HD2 ASN 11 -7.386 5.629 -5.009 64 HA PRO 12 HA PRO 12 -13.305 7.196 -8.401 65 HB2 PRO 12 2HB PRO 12 -11.848 7.727 -10.672 66 HB3 PRO 12 1HB PRO 12 -12.870 8.926 -9.862 67 HG2 PRO 12 2HG PRO 12 -9.896 8.694 -9.872 68 HG3 PRO 12 1HG PRO 12 -10.909 10.132 -9.659 69 HD2 PRO 12 2HD PRO 12 -9.600 8.718 -7.591 70 HD3 PRO 12 1HD PRO 12 -10.889 9.922 -7.376 71 H CYS 13 H CYS 13 -10.139 6.239 -7.633 72 HA CYS 13 HA CYS 13 -9.971 4.045 -9.566 73 HB2 CYS 13 2HB CYS 13 -8.265 5.172 -7.400 74 HB3 CYS 13 1HB CYS 13 -8.034 3.467 -7.787 75 H CYS 14 H CYS 14 -11.459 4.566 -6.531 76 HA CYS 14 HA CYS 14 -11.925 1.629 -6.315 77 HB2 CYS 14 2HB CYS 14 -11.658 1.672 -3.931 78 HB3 CYS 14 1HB CYS 14 -10.236 2.458 -4.613 79 H ASP 15 H ASP 15 -14.057 1.188 -6.317 80 HA ASP 15 HA ASP 15 -16.100 3.109 -6.531 81 HB2 ASP 15 2HB ASP 15 -16.079 0.466 -6.826 82 HB3 ASP 15 1HB ASP 15 -16.695 0.511 -5.172 83 H ALA 16 H ALA 16 -17.070 4.417 -5.044 84 HA ALA 16 HA ALA 16 -16.152 4.492 -2.313 85 HB1 ALA 16 1HB ALA 16 -16.921 6.552 -3.231 86 HB2 ALA 16 2HB ALA 16 -18.151 6.088 -2.055 87 HB3 ALA 16 3HB ALA 16 -18.436 5.830 -3.776 88 H ALA 17 H ALA 17 -19.193 3.385 -3.825 89 HA ALA 17 HA ALA 17 -20.560 2.637 -1.468 90 HB1 ALA 17 1HB ALA 17 -20.850 0.761 -3.729 91 HB2 ALA 17 2HB ALA 17 -21.086 2.457 -4.153 92 HB3 ALA 17 3HB ALA 17 -22.077 1.716 -2.895 93 H THR 18 H THR 18 -18.570 0.520 -3.576 94 HA THR 18 HA THR 18 -18.419 -1.466 -1.394 95 HB THR 18 HB THR 18 -17.489 -2.946 -3.010 96 HG1 THR 18 1HG THR 18 -16.419 -2.266 -4.745 97 HG21 THR 18 3HG2 THR 18 -19.558 -1.091 -4.181 98 HG22 THR 18 1HG2 THR 18 -19.784 -2.710 -3.521 99 HG23 THR 18 2HG2 THR 18 -18.979 -2.497 -5.076 100 H CYS 19 H CYS 19 -16.919 1.333 -1.833 101 HA CYS 19 HA CYS 19 -14.719 2.160 -1.542 102 HB2 CYS 19 2HB CYS 19 -13.776 0.996 0.668 103 HB3 CYS 19 1HB CYS 19 -15.079 2.168 0.724 104 H LYS 20 H LYS 20 -14.802 -0.225 -3.319 105 HA LYS 20 HA LYS 20 -12.036 -1.200 -2.715 106 HB2 LYS 20 2HB LYS 20 -14.351 -2.723 -3.937 107 HB3 LYS 20 1HB LYS 20 -12.686 -3.305 -3.936 108 HG2 LYS 20 2HG LYS 20 -12.696 -3.753 -1.685 109 HG3 LYS 20 1HG LYS 20 -13.788 -2.417 -1.317 110 HD2 LYS 20 2HD LYS 20 -14.928 -4.561 -0.960 111 HD3 LYS 20 1HD LYS 20 -15.666 -3.697 -2.309 112 HE2 LYS 20 2HE LYS 20 -13.587 -5.195 -3.458 113 HE3 LYS 20 1HE LYS 20 -14.350 -6.283 -2.298 114 HZ1 LYS 20 3HZ LYS 20 -15.588 -4.870 -4.579 115 HZ2 LYS 20 1HZ LYS 20 -16.525 -5.484 -3.306 116 HZ3 LYS 20 2HZ LYS 20 -15.578 -6.536 -4.245 117 H LEU 21 H LEU 21 -11.209 -2.272 -4.969 118 HA LEU 21 HA LEU 21 -10.929 -0.028 -6.760 119 HB2 LEU 21 2HB LEU 21 -10.070 -2.915 -6.854 120 HB3 LEU 21 1HB LEU 21 -9.812 -1.842 -8.231 121 HG LEU 21 HG LEU 21 -9.024 -0.533 -5.776 122 HD11 LEU 21 1HD1 LEU 21 -8.626 -3.252 -5.597 123 HD12 LEU 21 2HD1 LEU 21 -7.664 -2.037 -4.753 124 HD13 LEU 21 3HD1 LEU 21 -7.101 -2.699 -6.287 125 HD21 LEU 21 3HD2 LEU 21 -8.282 -0.694 -8.489 126 HD22 LEU 21 1HD2 LEU 21 -6.877 -1.251 -7.583 127 HD23 LEU 21 2HD2 LEU 21 -7.561 0.339 -7.254 128 H ARG 22 H ARG 22 -12.380 0.590 -8.251 129 HA ARG 22 HA ARG 22 -14.548 -1.205 -9.065 130 HB2 ARG 22 2HB ARG 22 -14.312 1.536 -8.791 131 HB3 ARG 22 1HB ARG 22 -14.281 1.314 -10.541 132 HG2 ARG 22 2HG ARG 22 -16.374 0.151 -8.679 133 HG3 ARG 22 1HG ARG 22 -16.598 1.578 -9.693 134 HD2 ARG 22 2HD ARG 22 -16.257 0.257 -11.709 135 HD3 ARG 22 1HD ARG 22 -15.871 -1.169 -10.748 136 HE ARG 22 HE ARG 22 -18.560 0.075 -10.459 137 HH11 ARG 22 1HH1 ARG 22 -17.562 -1.802 -12.849 138 HH12 ARG 22 2HH1 ARG 22 -18.357 -3.265 -12.374 139 HH21 ARG 22 1HH2 ARG 22 -19.131 -2.124 -9.192 140 HH22 ARG 22 2HH2 ARG 22 -19.245 -3.448 -10.303 141 HA PRO 23 HA PRO 23 -12.346 -0.714 -13.279 142 HB2 PRO 23 2HB PRO 23 -9.879 0.502 -13.291 143 HB3 PRO 23 1HB PRO 23 -11.407 1.373 -13.504 144 HG2 PRO 23 2HG PRO 23 -9.612 1.294 -11.130 145 HG3 PRO 23 1HG PRO 23 -10.769 2.541 -11.621 146 HD2 PRO 23 2HD PRO 23 -11.161 0.582 -9.607 147 HD3 PRO 23 1HD PRO 23 -12.405 1.654 -10.283 148 H GLY 24 H GLY 24 -9.657 -1.220 -14.020 149 HA2 GLY 24 2HA GLY 24 -9.280 -3.866 -12.764 150 HA3 GLY 24 1HA GLY 24 -8.483 -3.295 -14.228 151 H ALA 25 H ALA 25 -8.461 -1.070 -11.613 152 HA ALA 25 HA ALA 25 -5.582 -1.116 -11.453 153 HB1 ALA 25 1HB ALA 25 -6.353 0.969 -10.839 154 HB2 ALA 25 2HB ALA 25 -6.247 0.249 -9.232 155 HB3 ALA 25 3HB ALA 25 -7.799 0.319 -10.065 156 H GLN 26 H GLN 26 -4.259 -2.206 -10.014 157 HA GLN 26 HA GLN 26 -5.377 -4.436 -8.538 158 HB2 GLN 26 2HB GLN 26 -2.739 -3.465 -9.273 159 HB3 GLN 26 1HB GLN 26 -2.770 -3.972 -7.584 160 HG2 GLN 26 2HG GLN 26 -2.269 -5.960 -8.756 161 HG3 GLN 26 1HG GLN 26 -4.003 -6.076 -8.450 162 HE21 GLN 26 1HE2 GLN 26 -1.767 -4.782 -10.975 163 HE22 GLN 26 2HE2 GLN 26 -2.759 -5.220 -12.281 164 H CYS 27 H CYS 27 -4.610 -1.142 -7.807 165 HA CYS 27 HA CYS 27 -5.796 -1.422 -5.138 166 HB2 CYS 27 2HB CYS 27 -3.797 -0.269 -4.079 167 HB3 CYS 27 1HB CYS 27 -3.524 -1.949 -4.550 168 H GLY 28 H GLY 28 -6.401 0.684 -4.281 169 HA2 GLY 28 2HA GLY 28 -6.540 2.743 -6.417 170 HA3 GLY 28 1HA GLY 28 -7.582 2.676 -5.000 171 H GLU 29 H GLU 29 -5.612 2.322 -3.031 172 HA GLU 29 HA GLU 29 -3.743 4.582 -3.376 173 HB2 GLU 29 2HB GLU 29 -4.565 5.715 -1.394 174 HB3 GLU 29 1HB GLU 29 -5.877 5.540 -2.548 175 HG2 GLU 29 2HG GLU 29 -6.926 4.809 -0.612 176 HG3 GLU 29 1HG GLU 29 -6.302 3.283 -1.238 177 H GLY 30 H GLY 30 -2.021 4.548 -1.811 178 HA2 GLY 30 2HA GLY 30 -1.709 3.053 0.478 179 HA3 GLY 30 1HA GLY 30 -1.443 1.868 -0.800 180 H LEU 31 H LEU 31 0.644 2.478 0.923 181 HA LEU 31 HA LEU 31 2.351 4.593 -0.017 182 HB2 LEU 31 2HB LEU 31 2.789 2.107 1.626 183 HB3 LEU 31 1HB LEU 31 4.160 3.084 1.107 184 HG LEU 31 HG LEU 31 1.763 4.176 2.606 185 HD11 LEU 31 1HD1 LEU 31 3.237 4.255 4.556 186 HD12 LEU 31 2HD1 LEU 31 4.559 3.564 3.616 187 HD13 LEU 31 3HD1 LEU 31 3.128 2.595 3.970 188 HD21 LEU 31 3HD2 LEU 31 3.988 5.362 1.175 189 HD22 LEU 31 1HD2 LEU 31 4.048 5.801 2.883 190 HD23 LEU 31 2HD2 LEU 31 2.607 6.156 1.932 191 H CYS 32 H CYS 32 1.700 1.379 -1.185 192 HA CYS 32 HA CYS 32 3.984 1.655 -3.097 193 HB2 CYS 32 2HB CYS 32 2.555 -0.944 -2.637 194 HB3 CYS 32 1HB CYS 32 4.217 -0.666 -3.148 195 H CYS 33 H CYS 33 0.976 2.566 -3.140 196 HA CYS 33 HA CYS 33 0.288 1.175 -5.686 197 HB2 CYS 33 2HB CYS 33 -1.384 1.165 -3.761 198 HB3 CYS 33 1HB CYS 33 -1.594 2.889 -4.057 199 H GLU 34 H GLU 34 1.247 2.340 -7.291 200 HA GLU 34 HA GLU 34 0.828 5.298 -7.288 201 HB2 GLU 34 2HB GLU 34 2.825 3.640 -8.866 202 HB3 GLU 34 1HB GLU 34 2.705 5.399 -8.877 203 HG2 GLU 34 2HG GLU 34 2.865 4.825 -6.178 204 HG3 GLU 34 1HG GLU 34 3.949 3.631 -6.895 205 H GLN 35 H GLN 35 -0.642 6.045 -8.754 206 HA GLN 35 HA GLN 35 -2.007 6.112 -10.668 207 HB2 GLN 35 2HB GLN 35 0.328 4.747 -11.506 208 HB3 GLN 35 1HB GLN 35 -1.036 3.793 -12.088 209 HG2 GLN 35 2HG GLN 35 -0.548 6.745 -12.571 210 HG3 GLN 35 1HG GLN 35 -0.511 5.454 -13.772 211 HE21 GLN 35 1HE2 GLN 35 -2.671 4.198 -13.985 212 HE22 GLN 35 2HE2 GLN 35 -4.105 5.091 -13.819 213 H CYS 36 H CYS 36 -2.236 4.182 -8.272 214 HA CYS 36 HA CYS 36 -3.940 2.749 -7.533 215 HB2 CYS 36 2HB CYS 36 -5.010 2.814 -10.362 216 HB3 CYS 36 1HB CYS 36 -5.888 2.406 -8.884 217 H LYS 37 H LYS 37 -1.410 1.788 -8.574 218 HA LYS 37 HA LYS 37 -2.283 -0.976 -9.244 219 HB2 LYS 37 2HB LYS 37 -0.727 0.828 -10.961 220 HB3 LYS 37 1HB LYS 37 0.068 -0.720 -10.675 221 HG2 LYS 37 2HG LYS 37 -2.669 -1.298 -11.114 222 HG3 LYS 37 1HG LYS 37 -2.193 -0.150 -12.366 223 HD2 LYS 37 2HD LYS 37 -0.600 -2.635 -11.686 224 HD3 LYS 37 1HD LYS 37 -1.803 -2.571 -12.976 225 HE2 LYS 37 2HE LYS 37 -0.534 -0.631 -13.960 226 HE3 LYS 37 1HE LYS 37 0.724 -0.914 -12.757 227 HZ1 LYS 37 3HZ LYS 37 0.543 -2.118 -15.189 228 HZ2 LYS 37 1HZ LYS 37 -0.054 -3.302 -14.132 229 HZ3 LYS 37 2HZ LYS 37 1.495 -2.650 -13.886 230 H PHE 38 H PHE 38 -0.449 -2.553 -8.834 231 HA PHE 38 HA PHE 38 0.820 -1.878 -6.296 232 HB2 PHE 38 2HB PHE 38 0.992 -4.327 -8.073 233 HB3 PHE 38 1HB PHE 38 1.801 -4.191 -6.514 234 HD1 PHE 38 1HD PHE 38 -0.297 -2.616 -5.021 235 HD2 PHE 38 2HD PHE 38 -0.618 -6.020 -7.622 236 HE1 PHE 38 1HE PHE 38 -2.380 -3.299 -3.868 237 HE2 PHE 38 2HE PHE 38 -2.703 -6.703 -6.470 238 HZ PHE 38 HZ PHE 38 -3.585 -5.343 -4.592 239 H SER 39 H SER 39 2.700 -0.756 -6.200 240 HA SER 39 HA SER 39 4.386 -0.278 -8.467 241 HB2 SER 39 2HB SER 39 5.292 -0.146 -5.585 242 HB3 SER 39 1HB SER 39 5.859 0.817 -6.946 243 HG SER 39 HG SER 39 4.327 1.878 -5.519 244 H ARG 40 H ARG 40 6.989 -0.845 -7.346 245 HA ARG 40 HA ARG 40 6.980 -3.815 -7.680 246 HB2 ARG 40 2HB ARG 40 9.132 -1.745 -8.211 247 HB3 ARG 40 1HB ARG 40 9.408 -3.485 -8.292 248 HG2 ARG 40 2HG ARG 40 7.034 -2.798 -9.787 249 HG3 ARG 40 1HG ARG 40 8.396 -1.825 -10.341 250 HD2 ARG 40 2HD ARG 40 9.152 -3.608 -11.485 251 HD3 ARG 40 1HD ARG 40 9.397 -4.444 -9.952 252 HE ARG 40 HE ARG 40 6.683 -4.757 -10.497 253 HH11 ARG 40 1HH2 ARG 40 9.567 -6.319 -11.013 254 HH12 ARG 40 2HH2 ARG 40 9.028 -7.288 -12.343 255 HH21 ARG 40 1HH1 ARG 40 6.011 -5.612 -12.684 256 HH22 ARG 40 2HH1 ARG 40 7.014 -6.889 -13.289 257 H ALA 41 H ALA 41 8.608 -5.000 -6.362 258 HA ALA 41 HA ALA 41 8.514 -4.169 -3.594 259 HB1 ALA 41 1HB ALA 41 9.392 -6.256 -3.118 260 HB2 ALA 41 2HB ALA 41 10.483 -6.228 -4.504 261 HB3 ALA 41 3HB ALA 41 8.770 -6.578 -4.737 262 H GLY 42 H GLY 42 10.653 -4.101 -2.297 263 HA2 GLY 42 2HA GLY 42 12.753 -3.094 -1.934 264 HA3 GLY 42 1HA GLY 42 13.029 -3.186 -3.673 265 H LYS 43 H LYS 43 10.099 -1.679 -2.528 266 HA LYS 43 HA LYS 43 11.169 0.918 -3.543 267 HB2 LYS 43 2HB LYS 43 9.170 0.976 -4.580 268 HB3 LYS 43 1HB LYS 43 8.591 -0.409 -3.667 269 HG2 LYS 43 2HG LYS 43 7.111 1.430 -3.151 270 HG3 LYS 43 1HG LYS 43 8.123 1.208 -1.742 271 HD2 LYS 43 2HD LYS 43 9.462 3.088 -2.259 272 HD3 LYS 43 1HD LYS 43 8.891 3.136 -3.927 273 HE2 LYS 43 2HE LYS 43 6.671 3.819 -3.197 274 HE3 LYS 43 1HE LYS 43 7.143 3.651 -1.506 275 HZ1 LYS 43 3HZ LYS 43 7.216 5.965 -2.587 276 HZ2 LYS 43 1HZ LYS 43 8.652 5.425 -3.311 277 HZ3 LYS 43 2HZ LYS 43 8.525 5.479 -1.618 278 H ILE 44 H ILE 44 11.770 2.453 -2.088 279 HA ILE 44 HA ILE 44 11.506 2.063 0.728 280 HB ILE 44 HB ILE 44 13.079 3.647 -0.713 281 HG12 ILE 44 2HG1 ILE 44 13.463 3.267 1.619 282 HG13 ILE 44 1HG1 ILE 44 13.415 5.017 1.403 283 HG21 ILE 44 1HG2 ILE 44 12.421 5.929 -0.768 284 HG22 ILE 44 2HG2 ILE 44 11.021 5.629 0.262 285 HG23 ILE 44 3HG2 ILE 44 11.040 5.031 -1.397 286 HD11 ILE 44 3HD1 ILE 44 11.996 4.778 3.225 287 HD12 ILE 44 1HD1 ILE 44 11.400 3.208 2.684 288 HD13 ILE 44 2HD1 ILE 44 10.838 4.684 1.899 289 H CYS 45 H CYS 45 9.630 2.069 1.798 290 HA CYS 45 HA CYS 45 7.437 3.896 0.891 291 HB2 CYS 45 2HB CYS 45 6.140 2.301 2.593 292 HB3 CYS 45 1HB CYS 45 6.376 1.858 0.911 293 H ARG 46 H ARG 46 9.660 3.164 3.368 294 HA ARG 46 HA ARG 46 8.815 5.514 4.891 295 HB2 ARG 46 2HB ARG 46 7.397 3.438 5.636 296 HB3 ARG 46 1HB ARG 46 8.882 2.945 6.452 297 HG2 ARG 46 2HG ARG 46 8.497 4.412 8.113 298 HG3 ARG 46 1HG ARG 46 8.409 5.739 6.955 299 HD2 ARG 46 2HD ARG 46 6.140 5.764 6.979 300 HD3 ARG 46 1HD ARG 46 6.033 4.005 6.947 301 HE ARG 46 HE ARG 46 6.228 5.678 9.386 302 HH11 ARG 46 1HH1 ARG 46 7.819 3.055 9.458 303 HH12 ARG 46 2HH1 ARG 46 6.659 1.993 10.187 304 HH21 ARG 46 1HH2 ARG 46 3.975 4.120 9.639 305 HH22 ARG 46 2HH2 ARG 46 4.482 2.598 10.290 306 H ILE 47 H ILE 47 10.496 6.317 6.147 307 HA ILE 47 HA ILE 47 13.104 5.000 5.736 308 HB ILE 47 HB ILE 47 12.377 7.622 5.633 309 HG12 ILE 47 2HG1 ILE 47 14.474 6.709 4.798 310 HG13 ILE 47 1HG1 ILE 47 14.823 8.101 5.824 311 HG21 ILE 47 1HG2 ILE 47 13.252 8.781 7.600 312 HG22 ILE 47 2HG2 ILE 47 13.626 7.239 8.371 313 HG23 ILE 47 3HG2 ILE 47 11.948 7.698 8.083 314 HD11 ILE 47 3HD1 ILE 47 15.101 5.173 6.513 315 HD12 ILE 47 1HD1 ILE 47 15.096 6.434 7.745 316 HD13 ILE 47 2HD1 ILE 47 16.356 6.412 6.512 317 H ALA 48 H ALA 48 13.933 3.680 7.271 318 HA ALA 48 HA ALA 48 12.678 3.638 9.947 319 HB1 ALA 48 1HB ALA 48 14.871 1.772 9.575 320 HB2 ALA 48 2HB ALA 48 13.715 1.660 8.248 321 HB3 ALA 48 3HB ALA 48 13.172 1.437 9.911 322 H ARG 49 H ARG 49 14.002 3.722 11.885 323 HA ARG 49 HA ARG 49 16.653 5.043 11.481 324 HB2 ARG 49 2HB ARG 49 14.266 6.093 12.769 325 HB3 ARG 49 1HB ARG 49 15.618 6.023 13.899 326 HG2 ARG 49 2HG ARG 49 17.036 7.248 12.309 327 HG3 ARG 49 1HG ARG 49 15.712 7.290 11.145 328 HD2 ARG 49 2HD ARG 49 14.365 8.414 13.074 329 HD3 ARG 49 1HD ARG 49 15.952 8.734 13.774 330 HE ARG 49 HE ARG 49 14.902 9.904 11.264 331 HH11 ARG 49 1HH2 ARG 49 16.330 10.964 13.924 332 HH12 ARG 49 2HH2 ARG 49 17.752 11.635 13.199 333 HH21 ARG 49 1HH1 ARG 49 17.229 10.107 10.129 334 HH22 ARG 49 2HH1 ARG 49 18.262 11.149 11.048 335 H GLY 50 H GLY 50 18.256 4.022 12.597 336 HA2 GLY 50 2HA GLY 50 18.587 3.176 15.086 337 HA3 GLY 50 1HA GLY 50 17.466 1.930 14.550 338 H ASP 51 H ASP 51 18.410 1.602 11.923 339 HA ASP 51 HA ASP 51 21.111 1.352 11.427 340 HB2 ASP 51 2HB ASP 51 20.342 -0.361 13.616 341 HB3 ASP 51 1HB ASP 51 20.908 -1.336 12.260 342 H TRP 52 H TRP 52 18.277 -0.777 11.521 343 HA TRP 52 HA TRP 52 18.845 -2.226 9.150 344 HB2 TRP 52 2HB TRP 52 16.247 -2.406 9.042 345 HB3 TRP 52 1HB TRP 52 17.082 -3.105 10.429 346 HD1 TRP 52 HD TRP 52 14.874 -0.173 9.413 347 HE1 TRP 52 1HE TRP 52 13.962 0.961 11.542 348 HE3 TRP 52 3HE TRP 52 17.560 -2.672 12.965 349 HZ2 TRP 52 2HZ TRP 52 14.324 0.826 14.375 350 HZ3 TRP 52 3HZ TRP 52 17.258 -2.150 15.368 351 HH2 TRP 52 HH TRP 52 15.644 -0.406 16.077 352 H ASN 53 H ASN 53 18.289 -1.862 6.970 353 HA ASN 53 HA ASN 53 18.451 0.771 5.973 354 HB2 ASN 53 2HB ASN 53 17.319 -1.756 4.752 355 HB3 ASN 53 1HB ASN 53 17.451 -0.246 3.851 356 HD21 ASN 53 1HD2 ASN 53 19.409 0.040 2.775 357 HD22 ASN 53 2HD2 ASN 53 20.863 -0.740 3.174 358 H ASP 54 H ASP 54 16.497 1.483 4.337 359 HA ASP 54 HA ASP 54 14.375 2.351 6.106 360 HB2 ASP 54 2HB ASP 54 14.257 2.484 3.098 361 HB3 ASP 54 1HB ASP 54 13.590 3.616 4.275 362 H ASP 55 H ASP 55 12.010 2.121 4.885 363 HA ASP 55 HA ASP 55 11.506 -0.797 4.964 364 HB2 ASP 55 2HB ASP 55 9.826 1.669 5.250 365 HB3 ASP 55 1HB ASP 55 9.046 0.175 4.733 366 H ARG 56 H ARG 56 11.332 -1.924 3.096 367 HA ARG 56 HA ARG 56 10.960 -0.401 0.566 368 HB2 ARG 56 2HB ARG 56 11.771 -3.294 0.927 369 HB3 ARG 56 1HB ARG 56 11.874 -2.332 -0.546 370 HG2 ARG 56 2HG ARG 56 13.236 -1.134 1.778 371 HG3 ARG 56 1HG ARG 56 13.937 -2.656 1.228 372 HD2 ARG 56 2HD ARG 56 13.783 -1.625 -1.149 373 HD3 ARG 56 1HD ARG 56 13.588 -0.086 -0.309 374 HE ARG 56 HE ARG 56 15.841 -1.307 0.841 375 HH11 ARG 56 1HH1 ARG 56 15.255 1.146 -1.185 376 HH12 ARG 56 2HH1 ARG 56 16.620 0.923 -2.228 377 HH21 ARG 56 1HH2 ARG 56 17.412 -2.206 -0.961 378 HH22 ARG 56 2HH2 ARG 56 17.841 -0.975 -2.102 379 H CYS 57 H CYS 57 9.193 -0.745 -0.741 380 HA CYS 57 HA CYS 57 6.850 -1.999 0.378 381 HB2 CYS 57 2HB CYS 57 7.564 -0.739 -2.236 382 HB3 CYS 57 1HB CYS 57 6.131 -1.759 -2.172 383 H THR 58 H THR 58 5.807 -3.916 -0.394 384 HA THR 58 HA THR 58 7.617 -6.084 -1.008 385 HB THR 58 HB THR 58 4.914 -6.833 -1.539 386 HG1 THR 58 1HG THR 58 4.008 -6.097 0.440 387 HG21 THR 58 3HG2 THR 58 7.051 -7.353 0.453 388 HG22 THR 58 1HG2 THR 58 6.085 -8.490 -0.488 389 HG23 THR 58 2HG2 THR 58 5.408 -7.744 0.959 390 H GLY 59 H GLY 59 5.612 -3.943 -2.895 391 HA2 GLY 59 2HA GLY 59 5.948 -3.606 -5.261 392 HA3 GLY 59 1HA GLY 59 6.661 -5.215 -5.362 393 H GLN 60 H GLN 60 4.226 -6.012 -3.549 394 HA GLN 60 HA GLN 60 2.256 -6.181 -5.793 395 HB2 GLN 60 2HB GLN 60 1.633 -8.400 -4.494 396 HB3 GLN 60 1HB GLN 60 2.970 -8.390 -5.644 397 HG2 GLN 60 2HG GLN 60 4.577 -8.489 -3.994 398 HG3 GLN 60 1HG GLN 60 3.574 -7.633 -2.820 399 HE21 GLN 60 1HE2 GLN 60 4.998 -10.411 -2.802 400 HE22 GLN 60 2HE2 GLN 60 3.782 -11.467 -2.268 401 H SER 61 H SER 61 2.842 -5.406 -2.478 402 HA SER 61 HA SER 61 -0.070 -5.407 -1.874 403 HB2 SER 61 2HB SER 61 2.301 -5.817 -0.322 404 HB3 SER 61 1HB SER 61 1.468 -4.397 0.305 405 HG SER 61 HG SER 61 -0.443 -5.681 0.371 406 H ALA 62 H ALA 62 -1.219 -3.533 -1.925 407 HA ALA 62 HA ALA 62 -0.183 -1.115 -2.963 408 HB1 ALA 62 1HB ALA 62 -2.694 -2.064 -2.164 409 HB2 ALA 62 2HB ALA 62 -2.353 -0.496 -2.899 410 HB3 ALA 62 3HB ALA 62 -2.407 -0.655 -1.143 411 H ASP 63 H ASP 63 -0.815 -2.015 0.441 412 HA ASP 63 HA ASP 63 0.419 0.472 1.392 413 HB2 ASP 63 2HB ASP 63 -0.334 -1.969 3.020 414 HB3 ASP 63 1HB ASP 63 -0.118 -0.316 3.601 415 H CYS 64 H CYS 64 2.196 0.179 3.157 416 HA CYS 64 HA CYS 64 4.261 -1.637 2.007 417 HB2 CYS 64 2HB CYS 64 4.996 0.644 2.025 418 HB3 CYS 64 1HB CYS 64 4.457 0.877 3.685 419 HA PRO 65 HA PRO 65 3.955 -4.134 5.583 420 HB2 PRO 65 2HB PRO 65 6.161 -5.648 5.014 421 HB3 PRO 65 1HB PRO 65 4.607 -5.876 4.214 422 HG2 PRO 65 2HG PRO 65 7.119 -4.676 3.171 423 HG3 PRO 65 1HG PRO 65 5.780 -5.427 2.285 424 HD2 PRO 65 2HD PRO 65 6.252 -2.650 2.564 425 HD3 PRO 65 1HD PRO 65 4.777 -3.410 1.933 426 H ARG 66 H ARG 66 5.404 -4.758 7.468 427 HA ARG 66 HA ARG 66 7.738 -2.938 7.812 428 HB2 ARG 66 2HB ARG 66 6.937 -2.498 10.170 429 HB3 ARG 66 1HB ARG 66 5.934 -1.765 8.914 430 HG2 ARG 66 2HG ARG 66 5.221 -4.529 9.779 431 HG3 ARG 66 1HG ARG 66 4.876 -3.218 10.909 432 HD2 ARG 66 2HD ARG 66 3.691 -2.011 9.055 433 HD3 ARG 66 1HD ARG 66 3.923 -3.432 8.038 434 HE ARG 66 HE ARG 66 2.208 -3.342 10.476 435 HH11 ARG 66 1HH1 ARG 66 1.013 -3.698 7.757 436 HH12 ARG 66 2HH1 ARG 66 0.818 -5.416 7.664 437 HH21 ARG 66 1HH2 ARG 66 2.971 -6.068 10.304 438 HH22 ARG 66 2HH2 ARG 66 1.927 -6.758 9.107 439 H ASN 67 H ASN 67 9.336 -3.771 9.240 440 HA ASN 67 HA ASN 67 9.137 -6.688 9.676 441 HB2 ASN 67 2HB ASN 67 11.523 -5.057 10.489 442 HB3 ASN 67 1HB ASN 67 11.461 -6.692 9.830 443 HD21 ASN 67 1HD2 ASN 67 13.159 -4.623 8.724 444 HD22 ASN 67 2HD2 ASN 67 12.605 -4.283 7.156 445 HA PRO 68 HA PRO 68 8.387 -6.334 13.988 446 HB2 PRO 68 2HB PRO 68 9.683 -8.581 14.893 447 HB3 PRO 68 1HB PRO 68 8.149 -8.627 14.009 448 HG2 PRO 68 2HG PRO 68 10.884 -9.328 13.054 449 HG3 PRO 68 1HG PRO 68 9.313 -9.914 12.483 450 HD2 PRO 68 2HD PRO 68 10.916 -7.945 11.221 451 HD3 PRO 68 1HD PRO 68 9.220 -8.317 10.842 452 H TRP 69 H TRP 69 10.622 -4.698 13.180 453 HA TRP 69 HA TRP 69 12.312 -4.955 15.623 454 HB2 TRP 69 2HB TRP 69 13.377 -4.214 12.883 455 HB3 TRP 69 1HB TRP 69 14.315 -4.445 14.360 456 HD1 TRP 69 HD TRP 69 13.580 -6.220 11.346 457 HE1 TRP 69 1HE TRP 69 13.751 -8.777 11.645 458 HE3 TRP 69 3HE TRP 69 13.528 -6.516 16.442 459 HZ2 TRP 69 2HZ TRP 69 13.852 -10.694 13.771 460 HZ3 TRP 69 3HZ TRP 69 13.662 -8.713 17.578 461 HH2 TRP 69 HH TRP 69 13.824 -10.800 16.251 462 H ASN 70 H ASN 70 10.015 -3.257 15.110 463 HA ASN 70 HA ASN 70 11.358 -0.584 15.004 464 HB2 ASN 70 2HB ASN 70 9.044 -1.601 13.638 465 HB3 ASN 70 1HB ASN 70 8.545 -0.297 14.716 466 HD21 ASN 70 1HD2 ASN 70 11.538 -0.815 12.754 467 HD22 ASN 70 2HD2 ASN 70 11.455 0.690 11.972 468 H GLY 71 H GLY 71 11.769 -1.208 17.374 469 HA2 GLY 71 2HA GLY 71 11.306 -0.593 19.601 470 HA3 GLY 71 1HA GLY 71 9.827 0.178 19.028 Start of MODEL 12 1 H GLY 1 1HT GLY 1 -6.472 -6.127 2.962 2 HA2 GLY 1 1HA GLY 1 -9.192 -5.539 3.519 3 HA3 GLY 1 2HA GLY 1 -8.200 -5.026 2.153 4 H LYS 2 H LYS 2 -10.924 -6.734 2.908 5 HA LYS 2 HA LYS 2 -10.626 -8.513 0.527 6 HB2 LYS 2 2HB LYS 2 -11.045 -9.561 2.842 7 HB3 LYS 2 1HB LYS 2 -12.668 -8.884 2.713 8 HG2 LYS 2 2HG LYS 2 -12.722 -10.031 0.380 9 HG3 LYS 2 1HG LYS 2 -11.364 -10.980 0.986 10 HD2 LYS 2 2HD LYS 2 -14.086 -10.745 2.303 11 HD3 LYS 2 1HD LYS 2 -13.486 -12.148 1.418 12 HE2 LYS 2 2HE LYS 2 -11.565 -12.252 3.054 13 HE3 LYS 2 1HE LYS 2 -12.380 -11.002 3.996 14 HZ1 LYS 2 3HZ LYS 2 -12.806 -13.441 4.585 15 HZ2 LYS 2 1HZ LYS 2 -13.797 -13.466 3.208 16 HZ3 LYS 2 2HZ LYS 2 -14.143 -12.397 4.483 17 H GLU 3 H GLU 3 -13.398 -7.222 2.323 18 HA GLU 3 HA GLU 3 -14.822 -6.707 -0.184 19 HB2 GLU 3 2HB GLU 3 -16.654 -5.953 1.276 20 HB3 GLU 3 1HB GLU 3 -16.026 -7.504 1.834 21 HG2 GLU 3 2HG GLU 3 -15.727 -6.549 3.854 22 HG3 GLU 3 1HG GLU 3 -14.436 -5.593 3.126 23 H CYS 4 H CYS 4 -12.647 -4.982 1.793 24 HA CYS 4 HA CYS 4 -13.370 -2.493 0.330 25 HB2 CYS 4 2HB CYS 4 -14.177 -2.445 2.735 26 HB3 CYS 4 1HB CYS 4 -12.484 -2.516 3.223 27 H ASP 5 H ASP 5 -11.639 -1.900 -0.860 28 HA ASP 5 HA ASP 5 -8.941 -2.812 -0.001 29 HB2 ASP 5 2HB ASP 5 -10.134 -2.946 -2.453 30 HB3 ASP 5 1HB ASP 5 -9.248 -1.428 -2.602 31 H CYS 6 H CYS 6 -10.912 -0.018 -0.097 32 HA CYS 6 HA CYS 6 -8.546 1.630 0.643 33 HB2 CYS 6 2HB CYS 6 -10.732 2.720 -1.135 34 HB3 CYS 6 1HB CYS 6 -9.144 3.413 -0.805 35 H SER 7 H SER 7 -8.940 2.668 2.535 36 HA SER 7 HA SER 7 -11.547 2.502 3.795 37 HB2 SER 7 2HB SER 7 -9.900 2.502 5.412 38 HB3 SER 7 1HB SER 7 -8.866 3.604 4.508 39 HG SER 7 HG SER 7 -10.245 5.290 5.076 40 H SER 8 H SER 8 -10.159 4.681 1.571 41 HA SER 8 HA SER 8 -11.620 7.044 2.490 42 HB2 SER 8 2HB SER 8 -10.622 6.900 -0.302 43 HB3 SER 8 1HB SER 8 -10.444 8.185 0.890 44 HG SER 8 HG SER 8 -8.610 6.550 0.217 45 HA PRO 9 HA PRO 9 -15.296 5.549 0.394 46 HB2 PRO 9 2HB PRO 9 -16.942 7.507 1.407 47 HB3 PRO 9 1HB PRO 9 -16.486 6.047 2.304 48 HG2 PRO 9 2HG PRO 9 -15.512 8.847 2.654 49 HG3 PRO 9 1HG PRO 9 -15.616 7.538 3.844 50 HD2 PRO 9 2HD PRO 9 -13.263 8.381 2.528 51 HD3 PRO 9 1HD PRO 9 -13.464 6.864 3.430 52 H GLU 10 H GLU 10 -13.989 8.818 0.361 53 HA GLU 10 HA GLU 10 -15.570 9.549 -2.027 54 HB2 GLU 10 2HB GLU 10 -14.286 11.711 -1.828 55 HB3 GLU 10 1HB GLU 10 -15.233 11.309 -0.395 56 HG2 GLU 10 2HG GLU 10 -13.383 11.180 0.889 57 HG3 GLU 10 1HG GLU 10 -12.581 10.122 -0.272 58 H ASN 11 H ASN 11 -13.762 7.320 -2.281 59 HA ASN 11 HA ASN 11 -11.579 8.464 -3.959 60 HB2 ASN 11 2HB ASN 11 -10.934 6.890 -2.139 61 HB3 ASN 11 1HB ASN 11 -11.920 5.643 -2.902 62 HD21 ASN 11 1HD2 ASN 11 -8.916 5.760 -2.513 63 HD22 ASN 11 2HD2 ASN 11 -8.268 5.571 -4.069 64 HA PRO 12 HA PRO 12 -13.992 7.051 -7.423 65 HB2 PRO 12 2HB PRO 12 -12.170 7.793 -9.344 66 HB3 PRO 12 1HB PRO 12 -13.266 8.932 -8.541 67 HG2 PRO 12 2HG PRO 12 -10.338 8.536 -8.128 68 HG3 PRO 12 1HG PRO 12 -11.323 9.986 -7.867 69 HD2 PRO 12 2HD PRO 12 -10.409 8.221 -5.853 70 HD3 PRO 12 1HD PRO 12 -11.658 9.468 -5.660 71 H CYS 13 H CYS 13 -10.526 6.278 -7.098 72 HA CYS 13 HA CYS 13 -10.578 4.058 -8.935 73 HB2 CYS 13 2HB CYS 13 -8.635 5.426 -7.391 74 HB3 CYS 13 1HB CYS 13 -8.566 3.734 -6.894 75 H CYS 14 H CYS 14 -11.808 4.477 -5.788 76 HA CYS 14 HA CYS 14 -12.068 1.513 -5.509 77 HB2 CYS 14 2HB CYS 14 -10.865 3.391 -3.691 78 HB3 CYS 14 1HB CYS 14 -12.298 2.685 -2.943 79 H ASP 15 H ASP 15 -14.171 1.181 -6.084 80 HA ASP 15 HA ASP 15 -16.298 3.030 -5.850 81 HB2 ASP 15 2HB ASP 15 -16.114 0.624 -6.989 82 HB3 ASP 15 1HB ASP 15 -16.876 0.123 -5.478 83 H ALA 16 H ALA 16 -17.319 3.804 -4.075 84 HA ALA 16 HA ALA 16 -16.671 2.827 -1.425 85 HB1 ALA 16 1HB ALA 16 -18.765 4.788 -2.409 86 HB2 ALA 16 2HB ALA 16 -17.189 5.180 -1.723 87 HB3 ALA 16 3HB ALA 16 -18.441 4.467 -0.705 88 H ALA 17 H ALA 17 -19.489 2.554 -3.579 89 HA ALA 17 HA ALA 17 -21.325 1.320 -1.863 90 HB1 ALA 17 1HB ALA 17 -22.440 0.605 -3.780 91 HB2 ALA 17 2HB ALA 17 -20.945 0.189 -4.617 92 HB3 ALA 17 3HB ALA 17 -21.423 1.878 -4.454 93 H THR 18 H THR 18 -18.466 -0.041 -3.418 94 HA THR 18 HA THR 18 -18.995 -2.626 -2.013 95 HB THR 18 HB THR 18 -17.761 -3.726 -3.680 96 HG1 THR 18 1HG THR 18 -16.341 -2.569 -5.055 97 HG21 THR 18 3HG2 THR 18 -19.042 -3.294 -5.505 98 HG22 THR 18 1HG2 THR 18 -18.561 -1.599 -5.559 99 HG23 THR 18 2HG2 THR 18 -19.835 -2.118 -4.456 100 H CYS 19 H CYS 19 -17.045 0.177 -2.059 101 HA CYS 19 HA CYS 19 -15.311 0.828 -0.606 102 HB2 CYS 19 2HB CYS 19 -16.648 -1.041 0.852 103 HB3 CYS 19 1HB CYS 19 -15.078 -1.827 0.693 104 H LYS 20 H LYS 20 -15.159 -1.303 -3.027 105 HA LYS 20 HA LYS 20 -12.241 -1.828 -2.602 106 HB2 LYS 20 2HB LYS 20 -13.978 -3.409 -4.492 107 HB3 LYS 20 1HB LYS 20 -12.417 -3.852 -3.799 108 HG2 LYS 20 2HG LYS 20 -13.439 -4.015 -1.564 109 HG3 LYS 20 1HG LYS 20 -15.001 -3.544 -2.237 110 HD2 LYS 20 2HD LYS 20 -13.422 -6.054 -2.849 111 HD3 LYS 20 1HD LYS 20 -15.000 -5.946 -2.068 112 HE2 LYS 20 2HE LYS 20 -15.448 -4.592 -4.414 113 HE3 LYS 20 1HE LYS 20 -14.315 -5.840 -4.930 114 HZ1 LYS 20 3HZ LYS 20 -17.029 -6.102 -3.901 115 HZ2 LYS 20 1HZ LYS 20 -15.917 -7.293 -3.426 116 HZ3 LYS 20 2HZ LYS 20 -16.217 -7.022 -5.077 117 H LEU 21 H LEU 21 -11.519 -2.513 -5.156 118 HA LEU 21 HA LEU 21 -11.398 0.089 -6.442 119 HB2 LEU 21 2HB LEU 21 -10.379 -2.658 -7.175 120 HB3 LEU 21 1HB LEU 21 -10.189 -1.272 -8.250 121 HG LEU 21 HG LEU 21 -9.426 -0.667 -5.490 122 HD11 LEU 21 1HD1 LEU 21 -8.596 -2.848 -5.248 123 HD12 LEU 21 2HD1 LEU 21 -7.200 -1.975 -5.881 124 HD13 LEU 21 3HD1 LEU 21 -8.173 -2.979 -6.955 125 HD21 LEU 21 3HD2 LEU 21 -8.779 0.058 -8.183 126 HD22 LEU 21 1HD2 LEU 21 -7.294 -0.456 -7.383 127 HD23 LEU 21 2HD2 LEU 21 -8.264 0.844 -6.691 128 H ARG 22 H ARG 22 -12.904 0.871 -7.825 129 HA ARG 22 HA ARG 22 -15.074 -0.797 -8.786 130 HB2 ARG 22 2HB ARG 22 -14.799 1.892 -8.373 131 HB3 ARG 22 1HB ARG 22 -14.644 1.799 -10.129 132 HG2 ARG 22 2HG ARG 22 -16.830 0.221 -8.842 133 HG3 ARG 22 1HG ARG 22 -17.036 1.969 -8.964 134 HD2 ARG 22 2HD ARG 22 -17.100 1.943 -11.273 135 HD3 ARG 22 1HD ARG 22 -16.081 0.508 -11.390 136 HE ARG 22 HE ARG 22 -18.255 -0.636 -10.370 137 HH11 ARG 22 1HH2 ARG 22 -17.630 0.957 -13.258 138 HH12 ARG 22 2HH2 ARG 22 -19.276 1.004 -13.794 139 HH21 ARG 22 1HH1 ARG 22 -20.563 -0.166 -10.792 140 HH22 ARG 22 2HH1 ARG 22 -20.937 0.369 -12.398 141 HA PRO 23 HA PRO 23 -12.819 -0.288 -12.968 142 HB2 PRO 23 2HB PRO 23 -10.317 0.851 -12.930 143 HB3 PRO 23 1HB PRO 23 -11.810 1.782 -13.135 144 HG2 PRO 23 2HG PRO 23 -10.043 1.576 -10.746 145 HG3 PRO 23 1HG PRO 23 -11.141 2.882 -11.218 146 HD2 PRO 23 2HD PRO 23 -11.639 0.902 -9.251 147 HD3 PRO 23 1HD PRO 23 -12.831 2.032 -9.927 148 H GLY 24 H GLY 24 -10.223 -0.952 -13.742 149 HA2 GLY 24 2HA GLY 24 -9.841 -3.517 -12.298 150 HA3 GLY 24 1HA GLY 24 -9.188 -3.128 -13.891 151 H ALA 25 H ALA 25 -8.996 -1.089 -11.000 152 HA ALA 25 HA ALA 25 -6.080 -0.921 -11.343 153 HB1 ALA 25 1HB ALA 25 -8.177 0.581 -9.900 154 HB2 ALA 25 2HB ALA 25 -6.712 1.167 -10.688 155 HB3 ALA 25 3HB ALA 25 -6.627 0.487 -9.063 156 H GLN 26 H GLN 26 -4.556 -1.544 -9.708 157 HA GLN 26 HA GLN 26 -5.366 -3.914 -8.205 158 HB2 GLN 26 2HB GLN 26 -2.909 -2.758 -9.149 159 HB3 GLN 26 1HB GLN 26 -2.769 -3.075 -7.419 160 HG2 GLN 26 2HG GLN 26 -2.233 -5.179 -8.143 161 HG3 GLN 26 1HG GLN 26 -3.987 -5.359 -8.200 162 HE21 GLN 26 1HE2 GLN 26 -4.535 -6.396 -10.120 163 HE22 GLN 26 2HE2 GLN 26 -3.850 -6.065 -11.637 164 H CYS 27 H CYS 27 -5.020 -0.526 -7.545 165 HA CYS 27 HA CYS 27 -6.079 -0.893 -4.867 166 HB2 CYS 27 2HB CYS 27 -4.006 -1.317 -3.978 167 HB3 CYS 27 1HB CYS 27 -3.155 -0.512 -5.291 168 H GLY 28 H GLY 28 -6.790 1.090 -3.975 169 HA2 GLY 28 2HA GLY 28 -6.903 3.312 -5.934 170 HA3 GLY 28 1HA GLY 28 -7.963 3.127 -4.541 171 H GLU 29 H GLU 29 -5.769 2.491 -2.728 172 HA GLU 29 HA GLU 29 -4.089 4.918 -2.767 173 HB2 GLU 29 2HB GLU 29 -4.843 5.695 -0.634 174 HB3 GLU 29 1HB GLU 29 -6.282 5.445 -1.612 175 HG2 GLU 29 2HG GLU 29 -6.992 4.264 0.206 176 HG3 GLU 29 1HG GLU 29 -6.027 2.980 -0.522 177 H GLY 30 H GLY 30 -2.158 4.629 -1.570 178 HA2 GLY 30 2HA GLY 30 -1.549 2.895 0.481 179 HA3 GLY 30 1HA GLY 30 -1.479 1.854 -0.944 180 H LEU 31 H LEU 31 0.800 2.517 0.702 181 HA LEU 31 HA LEU 31 2.374 4.639 -0.397 182 HB2 LEU 31 2HB LEU 31 2.871 2.239 1.287 183 HB3 LEU 31 1HB LEU 31 4.267 2.888 0.428 184 HG LEU 31 HG LEU 31 3.911 3.872 2.726 185 HD11 LEU 31 1HD1 LEU 31 4.082 5.404 0.177 186 HD12 LEU 31 2HD1 LEU 31 5.243 5.290 1.500 187 HD13 LEU 31 3HD1 LEU 31 3.831 6.336 1.653 188 HD21 LEU 31 3HD2 LEU 31 1.487 3.950 2.777 189 HD22 LEU 31 1HD2 LEU 31 1.447 4.972 1.340 190 HD23 LEU 31 2HD2 LEU 31 2.087 5.608 2.855 191 H CYS 32 H CYS 32 1.724 1.376 -1.471 192 HA CYS 32 HA CYS 32 3.731 1.718 -3.658 193 HB2 CYS 32 2HB CYS 32 3.107 -0.483 -1.963 194 HB3 CYS 32 1HB CYS 32 2.603 -0.918 -3.597 195 H CYS 33 H CYS 33 1.128 3.011 -3.700 196 HA CYS 33 HA CYS 33 -0.187 1.459 -5.891 197 HB2 CYS 33 2HB CYS 33 -1.375 3.576 -4.072 198 HB3 CYS 33 1HB CYS 33 -2.242 2.710 -5.340 199 H GLU 34 H GLU 34 1.332 2.382 -7.438 200 HA GLU 34 HA GLU 34 1.206 5.312 -7.834 201 HB2 GLU 34 2HB GLU 34 2.667 3.454 -9.684 202 HB3 GLU 34 1HB GLU 34 3.098 5.087 -9.174 203 HG2 GLU 34 2HG GLU 34 3.431 4.116 -6.831 204 HG3 GLU 34 1HG GLU 34 3.337 2.524 -7.588 205 H GLN 35 H GLN 35 -0.470 6.051 -9.051 206 HA GLN 35 HA GLN 35 -2.038 6.163 -10.790 207 HB2 GLN 35 2HB GLN 35 0.231 5.123 -11.962 208 HB3 GLN 35 1HB GLN 35 -0.974 3.884 -12.320 209 HG2 GLN 35 2HG GLN 35 -1.864 5.190 -13.922 210 HG3 GLN 35 1HG GLN 35 -2.171 6.455 -12.733 211 HE21 GLN 35 1HE2 GLN 35 -1.560 7.734 -14.892 212 HE22 GLN 35 2HE2 GLN 35 0.080 8.143 -15.047 213 H CYS 36 H CYS 36 -2.504 4.564 -8.482 214 HA CYS 36 HA CYS 36 -4.049 2.987 -7.706 215 HB2 CYS 36 2HB CYS 36 -4.944 3.270 -10.580 216 HB3 CYS 36 1HB CYS 36 -5.749 2.186 -9.447 217 H LYS 37 H LYS 37 -1.461 2.283 -9.422 218 HA LYS 37 HA LYS 37 -2.142 -0.613 -9.723 219 HB2 LYS 37 2HB LYS 37 -0.800 1.197 -11.469 220 HB3 LYS 37 1HB LYS 37 0.393 0.030 -10.897 221 HG2 LYS 37 2HG LYS 37 -0.449 -1.251 -12.592 222 HG3 LYS 37 1HG LYS 37 -1.691 -1.633 -11.400 223 HD2 LYS 37 2HD LYS 37 -3.127 -0.888 -13.003 224 HD3 LYS 37 1HD LYS 37 -2.658 0.708 -12.419 225 HE2 LYS 37 2HE LYS 37 -0.614 0.120 -14.162 226 HE3 LYS 37 1HE LYS 37 -2.001 -0.622 -14.960 227 HZ1 LYS 37 3HZ LYS 37 -1.846 1.635 -15.663 228 HZ2 LYS 37 1HZ LYS 37 -1.751 2.195 -14.066 229 HZ3 LYS 37 2HZ LYS 37 -3.195 1.507 -14.639 230 H PHE 38 H PHE 38 -0.327 -2.107 -9.130 231 HA PHE 38 HA PHE 38 0.775 -1.352 -6.532 232 HB2 PHE 38 2HB PHE 38 0.842 -3.824 -8.247 233 HB3 PHE 38 1HB PHE 38 1.927 -3.679 -6.870 234 HD1 PHE 38 1HD PHE 38 -0.948 -1.781 -6.135 235 HD2 PHE 38 2HD PHE 38 0.424 -5.846 -6.378 236 HE1 PHE 38 1HE PHE 38 -2.763 -2.490 -4.611 237 HE2 PHE 38 2HE PHE 38 -1.398 -6.551 -4.855 238 HZ PHE 38 HZ PHE 38 -2.992 -4.872 -3.969 239 H SER 39 H SER 39 2.672 -0.261 -6.322 240 HA SER 39 HA SER 39 4.432 0.281 -8.511 241 HB2 SER 39 2HB SER 39 5.664 0.280 -5.824 242 HB3 SER 39 1HB SER 39 5.549 1.583 -7.006 243 HG SER 39 HG SER 39 4.129 2.276 -5.586 244 H ARG 40 H ARG 40 6.940 -0.463 -6.967 245 HA ARG 40 HA ARG 40 6.832 -3.401 -7.509 246 HB2 ARG 40 2HB ARG 40 8.334 -1.514 -8.918 247 HB3 ARG 40 1HB ARG 40 9.490 -2.246 -7.805 248 HG2 ARG 40 2HG ARG 40 9.535 -4.144 -9.013 249 HG3 ARG 40 1HG ARG 40 7.778 -4.284 -8.930 250 HD2 ARG 40 2HD ARG 40 8.422 -4.118 -11.264 251 HD3 ARG 40 1HD ARG 40 7.617 -2.620 -10.801 252 HE ARG 40 HE ARG 40 10.443 -2.344 -10.408 253 HH11 ARG 40 1HH2 ARG 40 9.346 -3.640 -13.185 254 HH12 ARG 40 2HH2 ARG 40 9.638 -2.271 -14.205 255 HH21 ARG 40 1HH1 ARG 40 10.259 -0.107 -11.566 256 HH22 ARG 40 2HH1 ARG 40 10.155 -0.269 -13.287 257 H ALA 41 H ALA 41 8.526 -4.616 -6.293 258 HA ALA 41 HA ALA 41 8.585 -3.732 -3.521 259 HB1 ALA 41 1HB ALA 41 9.084 -5.906 -3.042 260 HB2 ALA 41 2HB ALA 41 10.323 -5.993 -4.292 261 HB3 ALA 41 3HB ALA 41 8.625 -6.197 -4.720 262 H GLY 42 H GLY 42 10.837 -3.960 -2.356 263 HA2 GLY 42 2HA GLY 42 13.045 -3.161 -2.153 264 HA3 GLY 42 1HA GLY 42 13.180 -3.268 -3.906 265 H LYS 43 H LYS 43 10.522 -1.519 -2.477 266 HA LYS 43 HA LYS 43 11.832 1.013 -3.436 267 HB2 LYS 43 2HB LYS 43 9.984 1.091 -4.754 268 HB3 LYS 43 1HB LYS 43 9.141 -0.119 -3.797 269 HG2 LYS 43 2HG LYS 43 7.877 1.919 -3.622 270 HG3 LYS 43 1HG LYS 43 8.700 1.711 -2.080 271 HD2 LYS 43 2HD LYS 43 8.848 4.047 -3.021 272 HD3 LYS 43 1HD LYS 43 10.413 3.298 -2.705 273 HE2 LYS 43 2HE LYS 43 10.851 2.939 -4.974 274 HE3 LYS 43 1HE LYS 43 9.144 3.000 -5.413 275 HZ1 LYS 43 3HZ LYS 43 10.767 5.307 -4.482 276 HZ2 LYS 43 1HZ LYS 43 9.132 5.361 -4.929 277 HZ3 LYS 43 2HZ LYS 43 10.319 5.003 -6.092 278 H ILE 44 H ILE 44 12.452 2.345 -1.808 279 HA ILE 44 HA ILE 44 11.854 1.887 0.915 280 HB ILE 44 HB ILE 44 13.725 3.302 -0.160 281 HG12 ILE 44 2HG1 ILE 44 13.621 3.066 2.225 282 HG13 ILE 44 1HG1 ILE 44 13.830 4.784 1.891 283 HG21 ILE 44 1HG2 ILE 44 11.977 5.653 0.372 284 HG22 ILE 44 2HG2 ILE 44 11.783 4.809 -1.164 285 HG23 ILE 44 3HG2 ILE 44 13.348 5.492 -0.725 286 HD11 ILE 44 3HD1 ILE 44 11.264 4.940 1.997 287 HD12 ILE 44 1HD1 ILE 44 12.116 4.699 3.521 288 HD13 ILE 44 2HD1 ILE 44 11.318 3.338 2.734 289 H CYS 45 H CYS 45 9.524 1.555 0.851 290 HA CYS 45 HA CYS 45 7.592 3.502 0.105 291 HB2 CYS 45 2HB CYS 45 6.172 2.299 1.911 292 HB3 CYS 45 1HB CYS 45 6.730 1.356 0.531 293 H ARG 46 H ARG 46 9.298 3.028 3.186 294 HA ARG 46 HA ARG 46 8.626 5.813 3.910 295 HB2 ARG 46 2HB ARG 46 6.836 4.101 4.771 296 HB3 ARG 46 1HB ARG 46 8.073 3.684 5.958 297 HG2 ARG 46 2HG ARG 46 8.169 5.953 6.764 298 HG3 ARG 46 1HG ARG 46 7.139 6.519 5.449 299 HD2 ARG 46 2HD ARG 46 5.828 6.287 7.514 300 HD3 ARG 46 1HD ARG 46 5.287 5.117 6.311 301 HE ARG 46 HE ARG 46 6.939 3.529 7.619 302 HH11 ARG 46 1HH1 ARG 46 7.097 5.849 9.694 303 HH12 ARG 46 2HH1 ARG 46 6.019 5.240 10.906 304 HH21 ARG 46 1HH2 ARG 46 4.636 2.824 8.838 305 HH22 ARG 46 2HH2 ARG 46 4.626 3.527 10.421 306 H ILE 47 H ILE 47 9.961 6.618 5.653 307 HA ILE 47 HA ILE 47 12.578 5.292 5.743 308 HB ILE 47 HB ILE 47 11.886 7.900 5.648 309 HG12 ILE 47 2HG1 ILE 47 14.131 7.111 5.278 310 HG13 ILE 47 1HG1 ILE 47 14.213 8.359 6.521 311 HG21 ILE 47 1HG2 ILE 47 12.582 7.526 8.565 312 HG22 ILE 47 2HG2 ILE 47 10.912 7.656 8.013 313 HG23 ILE 47 3HG2 ILE 47 12.033 8.992 7.752 314 HD11 ILE 47 3HD1 ILE 47 15.462 6.740 7.574 315 HD12 ILE 47 1HD1 ILE 47 14.629 5.417 6.758 316 HD13 ILE 47 2HD1 ILE 47 13.862 6.238 8.118 317 H ALA 48 H ALA 48 13.420 4.223 7.523 318 HA ALA 48 HA ALA 48 11.586 3.285 9.544 319 HB1 ALA 48 1HB ALA 48 14.307 2.744 8.707 320 HB2 ALA 48 2HB ALA 48 13.185 1.699 9.578 321 HB3 ALA 48 3HB ALA 48 14.204 2.833 10.465 322 H ARG 49 H ARG 49 11.260 4.036 11.619 323 HA ARG 49 HA ARG 49 12.438 6.657 12.288 324 HB2 ARG 49 2HB ARG 49 10.362 4.954 13.703 325 HB3 ARG 49 1HB ARG 49 10.857 6.566 14.218 326 HG2 ARG 49 2HG ARG 49 9.977 6.192 11.382 327 HG3 ARG 49 1HG ARG 49 8.746 6.238 12.645 328 HD2 ARG 49 2HD ARG 49 10.828 8.361 12.060 329 HD3 ARG 49 1HD ARG 49 9.084 8.501 11.839 330 HE ARG 49 HE ARG 49 10.438 9.029 14.276 331 HH11 ARG 49 1HH2 ARG 49 7.409 8.551 12.984 332 HH12 ARG 49 2HH2 ARG 49 6.649 8.056 14.459 333 HH21 ARG 49 1HH1 ARG 49 9.625 7.815 16.222 334 HH22 ARG 49 2HH1 ARG 49 7.903 7.641 16.293 335 H GLY 50 H GLY 50 14.500 6.457 13.084 336 HA2 GLY 50 2HA GLY 50 15.314 5.888 15.552 337 HA3 GLY 50 1HA GLY 50 15.108 4.240 14.960 338 H ASP 51 H ASP 51 16.751 3.357 13.760 339 HA ASP 51 HA ASP 51 18.553 4.851 12.110 340 HB2 ASP 51 2HB ASP 51 19.137 5.066 14.849 341 HB3 ASP 51 1HB ASP 51 20.279 3.873 14.228 342 H TRP 52 H TRP 52 17.221 2.590 11.506 343 HA TRP 52 HA TRP 52 19.381 0.533 11.501 344 HB2 TRP 52 2HB TRP 52 17.247 -1.085 11.430 345 HB3 TRP 52 1HB TRP 52 17.971 -0.563 12.947 346 HD1 TRP 52 HD TRP 52 15.410 1.082 10.526 347 HE1 TRP 52 1HE TRP 52 13.453 1.979 11.941 348 HE3 TRP 52 3HE TRP 52 16.958 -0.335 15.185 349 HZ2 TRP 52 2HZ TRP 52 12.651 2.090 14.681 350 HZ3 TRP 52 3HZ TRP 52 15.579 0.183 17.177 351 HH2 TRP 52 HH TRP 52 13.429 1.393 16.932 352 H ASN 53 H ASN 53 16.413 -0.363 10.003 353 HA ASN 53 HA ASN 53 17.574 0.389 7.350 354 HB2 ASN 53 2HB ASN 53 16.448 -2.146 8.388 355 HB3 ASN 53 1HB ASN 53 15.907 -1.690 6.772 356 HD21 ASN 53 1HD2 ASN 53 17.256 -3.634 6.073 357 HD22 ASN 53 2HD2 ASN 53 18.924 -3.414 5.849 358 H ASP 54 H ASP 54 16.124 1.228 5.800 359 HA ASP 54 HA ASP 54 13.735 2.494 6.884 360 HB2 ASP 54 2HB ASP 54 14.121 2.377 3.933 361 HB3 ASP 54 1HB ASP 54 13.714 3.750 4.962 362 H ASP 55 H ASP 55 11.697 2.310 5.248 363 HA ASP 55 HA ASP 55 10.949 -0.551 5.368 364 HB2 ASP 55 2HB ASP 55 9.173 1.747 4.531 365 HB3 ASP 55 1HB ASP 55 8.692 0.183 5.188 366 H ARG 56 H ARG 56 10.791 -1.806 3.559 367 HA ARG 56 HA ARG 56 11.228 -0.471 0.921 368 HB2 ARG 56 2HB ARG 56 12.690 -2.445 2.046 369 HB3 ARG 56 1HB ARG 56 11.482 -3.418 1.207 370 HG2 ARG 56 2HG ARG 56 13.295 -3.090 -0.326 371 HG3 ARG 56 1HG ARG 56 11.974 -2.055 -0.869 372 HD2 ARG 56 2HD ARG 56 14.310 -0.992 -0.792 373 HD3 ARG 56 1HD ARG 56 13.011 -0.101 -0.002 374 HE ARG 56 HE ARG 56 14.220 -0.360 1.995 375 HH11 ARG 56 1HH1 ARG 56 15.269 -2.615 -0.370 376 HH12 ARG 56 2HH1 ARG 56 16.240 -3.532 0.732 377 HH21 ARG 56 1HH2 ARG 56 15.319 -1.674 3.510 378 HH22 ARG 56 2HH2 ARG 56 16.270 -3.000 2.926 379 H CYS 57 H CYS 57 9.699 -0.652 -0.631 380 HA CYS 57 HA CYS 57 7.064 -1.588 -0.017 381 HB2 CYS 57 2HB CYS 57 8.355 -0.194 -2.139 382 HB3 CYS 57 1HB CYS 57 7.513 -1.564 -2.851 383 H THR 58 H THR 58 6.032 -3.497 -0.660 384 HA THR 58 HA THR 58 7.788 -5.808 -1.066 385 HB THR 58 HB THR 58 5.075 -6.578 -1.280 386 HG1 THR 58 1HG THR 58 4.477 -4.566 -0.510 387 HG21 THR 58 3HG2 THR 58 5.577 -7.302 1.166 388 HG22 THR 58 1HG2 THR 58 7.189 -6.658 0.861 389 HG23 THR 58 2HG2 THR 58 6.568 -7.980 -0.126 390 H GLY 59 H GLY 59 5.746 -3.753 -2.989 391 HA2 GLY 59 2HA GLY 59 5.931 -3.686 -5.402 392 HA3 GLY 59 1HA GLY 59 6.477 -5.364 -5.376 393 H GLN 60 H GLN 60 4.541 -6.658 -3.951 394 HA GLN 60 HA GLN 60 2.183 -6.326 -5.729 395 HB2 GLN 60 2HB GLN 60 2.971 -8.590 -3.870 396 HB3 GLN 60 1HB GLN 60 1.549 -8.585 -4.915 397 HG2 GLN 60 2HG GLN 60 4.088 -7.934 -6.279 398 HG3 GLN 60 1HG GLN 60 3.980 -9.583 -5.659 399 HE21 GLN 60 1HE2 GLN 60 1.301 -10.219 -6.020 400 HE22 GLN 60 2HE2 GLN 60 0.890 -10.132 -7.665 401 H SER 61 H SER 61 3.099 -5.134 -2.825 402 HA SER 61 HA SER 61 0.366 -5.431 -1.644 403 HB2 SER 61 2HB SER 61 2.562 -4.237 -0.040 404 HB3 SER 61 1HB SER 61 1.296 -5.359 0.450 405 HG SER 61 HG SER 61 2.486 -7.015 -0.226 406 H ALA 62 H ALA 62 -0.926 -3.664 -1.893 407 HA ALA 62 HA ALA 62 -0.104 -1.223 -3.060 408 HB1 ALA 62 1HB ALA 62 -2.502 -2.206 -1.668 409 HB2 ALA 62 2HB ALA 62 -2.372 -1.179 -3.095 410 HB3 ALA 62 3HB ALA 62 -2.240 -0.471 -1.486 411 H ASP 63 H ASP 63 -0.619 -1.990 0.394 412 HA ASP 63 HA ASP 63 0.488 0.594 1.205 413 HB2 ASP 63 2HB ASP 63 -0.067 -1.864 2.899 414 HB3 ASP 63 1HB ASP 63 0.174 -0.216 3.482 415 H CYS 64 H CYS 64 2.171 -0.081 3.309 416 HA CYS 64 HA CYS 64 4.357 -1.595 1.949 417 HB2 CYS 64 2HB CYS 64 5.184 0.565 1.765 418 HB3 CYS 64 1HB CYS 64 4.382 1.119 3.228 419 HA PRO 65 HA PRO 65 4.399 -3.899 5.658 420 HB2 PRO 65 2HB PRO 65 6.682 -5.285 5.060 421 HB3 PRO 65 1HB PRO 65 5.115 -5.667 4.351 422 HG2 PRO 65 2HG PRO 65 7.481 -4.349 3.124 423 HG3 PRO 65 1HG PRO 65 6.167 -5.250 2.347 424 HD2 PRO 65 2HD PRO 65 6.430 -2.435 2.438 425 HD3 PRO 65 1HD PRO 65 4.985 -3.341 1.940 426 H ARG 66 H ARG 66 5.537 -3.795 7.668 427 HA ARG 66 HA ARG 66 8.126 -2.347 7.703 428 HB2 ARG 66 2HB ARG 66 6.663 -1.308 9.894 429 HB3 ARG 66 1HB ARG 66 7.228 -0.432 8.473 430 HG2 ARG 66 2HG ARG 66 4.882 -0.058 8.528 431 HG3 ARG 66 1HG ARG 66 5.112 -1.301 7.298 432 HD2 ARG 66 2HD ARG 66 3.470 -2.363 8.493 433 HD3 ARG 66 1HD ARG 66 4.842 -2.878 9.475 434 HE ARG 66 HE ARG 66 2.734 -1.160 10.369 435 HH11 ARG 66 1HH2 ARG 66 4.505 -2.622 12.241 436 HH12 ARG 66 2HH2 ARG 66 5.442 -1.350 12.950 437 HH21 ARG 66 1HH1 ARG 66 4.657 0.965 10.491 438 HH22 ARG 66 2HH1 ARG 66 5.529 0.680 11.961 439 H ASN 67 H ASN 67 9.446 -2.963 9.406 440 HA ASN 67 HA ASN 67 8.872 -5.450 10.728 441 HB2 ASN 67 2HB ASN 67 10.970 -5.012 11.959 442 HB3 ASN 67 1HB ASN 67 11.175 -4.670 10.241 443 HD21 ASN 67 1HD2 ASN 67 12.963 -3.161 10.902 444 HD22 ASN 67 2HD2 ASN 67 12.571 -1.613 11.478 445 HA PRO 68 HA PRO 68 6.800 -4.031 14.339 446 HB2 PRO 68 2HB PRO 68 7.682 -5.878 16.173 447 HB3 PRO 68 1HB PRO 68 6.505 -6.245 14.900 448 HG2 PRO 68 2HG PRO 68 9.380 -7.013 15.073 449 HG3 PRO 68 1HG PRO 68 8.055 -7.815 14.216 450 HD2 PRO 68 2HD PRO 68 10.033 -6.158 13.050 451 HD3 PRO 68 1HD PRO 68 8.541 -6.715 12.266 452 H TRP 69 H TRP 69 9.331 -2.613 13.857 453 HA TRP 69 HA TRP 69 10.042 -2.024 16.690 454 HB2 TRP 69 2HB TRP 69 12.046 -2.133 14.417 455 HB3 TRP 69 1HB TRP 69 12.390 -1.869 16.128 456 HD1 TRP 69 HD TRP 69 12.681 -4.496 13.752 457 HE1 TRP 69 1HE TRP 69 12.515 -6.833 14.831 458 HE3 TRP 69 3HE TRP 69 10.663 -3.236 18.264 459 HZ2 TRP 69 2HZ TRP 69 11.640 -8.009 17.288 460 HZ3 TRP 69 3HZ TRP 69 10.172 -4.980 19.955 461 HH2 TRP 69 HH TRP 69 10.657 -7.363 19.474 462 H ASN 70 H ASN 70 8.280 -0.725 14.639 463 HA ASN 70 HA ASN 70 9.700 1.905 14.526 464 HB2 ASN 70 2HB ASN 70 8.005 0.484 12.511 465 HB3 ASN 70 1HB ASN 70 7.932 2.246 12.574 466 HD21 ASN 70 1HD2 ASN 70 9.869 -0.464 11.570 467 HD22 ASN 70 2HD2 ASN 70 11.197 0.429 11.007 468 H GLY 71 H GLY 71 6.380 1.613 13.570 469 HA2 GLY 71 2HA GLY 71 5.069 1.978 16.055 470 HA3 GLY 71 1HA GLY 71 5.493 3.576 15.442 Start of MODEL 13 1 H GLY 1 1HT GLY 1 -7.388 -6.732 4.115 2 HA2 GLY 1 1HA GLY 1 -9.637 -5.543 5.275 3 HA3 GLY 1 2HA GLY 1 -9.109 -5.468 3.594 4 H LYS 2 H LYS 2 -11.803 -5.501 4.040 5 HA LYS 2 HA LYS 2 -12.594 -8.314 3.399 6 HB2 LYS 2 2HB LYS 2 -13.976 -6.134 4.934 7 HB3 LYS 2 1HB LYS 2 -14.936 -7.361 4.107 8 HG2 LYS 2 2HG LYS 2 -13.197 -8.997 5.300 9 HG3 LYS 2 1HG LYS 2 -13.089 -7.651 6.435 10 HD2 LYS 2 2HD LYS 2 -15.815 -8.514 5.574 11 HD3 LYS 2 1HD LYS 2 -14.946 -9.555 6.704 12 HE2 LYS 2 2HE LYS 2 -14.482 -7.354 8.017 13 HE3 LYS 2 1HE LYS 2 -15.813 -6.692 7.068 14 HZ1 LYS 2 3HZ LYS 2 -15.970 -9.159 8.713 15 HZ2 LYS 2 1HZ LYS 2 -17.246 -8.428 7.871 16 HZ3 LYS 2 2HZ LYS 2 -16.542 -7.634 9.196 17 H GLU 3 H GLU 3 -14.845 -5.710 2.985 18 HA GLU 3 HA GLU 3 -14.541 -6.010 0.027 19 HB2 GLU 3 2HB GLU 3 -16.880 -5.824 1.833 20 HB3 GLU 3 1HB GLU 3 -16.999 -4.874 0.351 21 HG2 GLU 3 2HG GLU 3 -15.912 -7.557 -0.105 22 HG3 GLU 3 1HG GLU 3 -17.543 -7.584 0.566 23 H CYS 4 H CYS 4 -13.116 -4.113 1.889 24 HA CYS 4 HA CYS 4 -13.896 -1.605 0.458 25 HB2 CYS 4 2HB CYS 4 -13.284 -1.966 3.403 26 HB3 CYS 4 1HB CYS 4 -13.192 -0.397 2.610 27 H ASP 5 H ASP 5 -12.165 -1.884 -0.988 28 HA ASP 5 HA ASP 5 -9.470 -2.471 -0.116 29 HB2 ASP 5 2HB ASP 5 -10.376 -2.917 -2.425 30 HB3 ASP 5 1HB ASP 5 -10.354 -1.177 -2.712 31 H CYS 6 H CYS 6 -11.344 0.467 -0.456 32 HA CYS 6 HA CYS 6 -8.888 2.002 0.295 33 HB2 CYS 6 2HB CYS 6 -9.646 3.872 -1.003 34 HB3 CYS 6 1HB CYS 6 -9.767 2.456 -2.046 35 H SER 7 H SER 7 -9.376 3.983 1.579 36 HA SER 7 HA SER 7 -11.751 3.521 3.335 37 HB2 SER 7 2HB SER 7 -9.574 3.338 4.485 38 HB3 SER 7 1HB SER 7 -9.142 4.954 3.935 39 HG SER 7 HG SER 7 -10.833 5.779 5.151 40 H SER 8 H SER 8 -11.114 5.261 0.754 41 HA SER 8 HA SER 8 -12.342 7.751 1.861 42 HB2 SER 8 2HB SER 8 -11.072 8.074 -0.741 43 HB3 SER 8 1HB SER 8 -10.836 9.000 0.738 44 HG SER 8 HG SER 8 -9.093 7.893 1.088 45 HA PRO 9 HA PRO 9 -15.636 6.497 -0.864 46 HB2 PRO 9 2HB PRO 9 -17.297 8.604 -0.261 47 HB3 PRO 9 1HB PRO 9 -17.095 7.187 0.785 48 HG2 PRO 9 2HG PRO 9 -16.026 9.948 1.138 49 HG3 PRO 9 1HG PRO 9 -16.394 8.723 2.363 50 HD2 PRO 9 2HD PRO 9 -13.816 9.374 1.388 51 HD3 PRO 9 1HD PRO 9 -14.238 7.948 2.361 52 H GLU 10 H GLU 10 -14.477 9.876 -0.769 53 HA GLU 10 HA GLU 10 -15.550 10.549 -3.371 54 HB2 GLU 10 2HB GLU 10 -14.400 12.615 -3.136 55 HB3 GLU 10 1HB GLU 10 -14.857 12.166 -1.494 56 HG2 GLU 10 2HG GLU 10 -12.540 11.037 -1.354 57 HG3 GLU 10 1HG GLU 10 -12.144 11.966 -2.800 58 H ASN 11 H ASN 11 -13.066 8.487 -2.504 59 HA ASN 11 HA ASN 11 -11.143 9.144 -4.567 60 HB2 ASN 11 2HB ASN 11 -10.524 7.832 -2.565 61 HB3 ASN 11 1HB ASN 11 -11.588 6.529 -3.097 62 HD21 ASN 11 1HD2 ASN 11 -8.944 5.816 -2.818 63 HD22 ASN 11 2HD2 ASN 11 -8.195 5.662 -4.334 64 HA PRO 12 HA PRO 12 -13.644 7.347 -7.810 65 HB2 PRO 12 2HB PRO 12 -11.925 8.022 -9.845 66 HB3 PRO 12 1HB PRO 12 -13.065 9.162 -9.110 67 HG2 PRO 12 2HG PRO 12 -10.108 8.972 -8.755 68 HG3 PRO 12 1HG PRO 12 -11.169 10.383 -8.600 69 HD2 PRO 12 2HD PRO 12 -10.103 8.876 -6.459 70 HD3 PRO 12 1HD PRO 12 -11.429 10.054 -6.346 71 H CYS 13 H CYS 13 -10.172 6.761 -7.384 72 HA CYS 13 HA CYS 13 -9.902 4.553 -9.147 73 HB2 CYS 13 2HB CYS 13 -8.412 5.669 -6.852 74 HB3 CYS 13 1HB CYS 13 -8.149 3.948 -7.142 75 H CYS 14 H CYS 14 -11.663 4.821 -6.219 76 HA CYS 14 HA CYS 14 -12.034 1.867 -6.259 77 HB2 CYS 14 2HB CYS 14 -11.894 1.698 -3.876 78 HB3 CYS 14 1HB CYS 14 -10.479 2.617 -4.385 79 H ASP 15 H ASP 15 -14.138 1.229 -6.049 80 HA ASP 15 HA ASP 15 -16.240 3.156 -6.371 81 HB2 ASP 15 2HB ASP 15 -16.115 0.590 -6.980 82 HB3 ASP 15 1HB ASP 15 -16.767 0.387 -5.349 83 H ALA 16 H ALA 16 -17.310 4.287 -4.834 84 HA ALA 16 HA ALA 16 -16.647 4.048 -2.036 85 HB1 ALA 16 1HB ALA 16 -17.345 6.205 -2.643 86 HB2 ALA 16 2HB ALA 16 -18.785 5.559 -1.857 87 HB3 ALA 16 3HB ALA 16 -18.685 5.599 -3.617 88 H ALA 17 H ALA 17 -19.222 2.787 -4.083 89 HA ALA 17 HA ALA 17 -20.988 1.928 -2.000 90 HB1 ALA 17 1HB ALA 17 -21.267 0.048 -4.026 91 HB2 ALA 17 2HB ALA 17 -20.673 1.475 -4.876 92 HB3 ALA 17 3HB ALA 17 -22.148 1.573 -3.913 93 H THR 18 H THR 18 -18.620 0.002 -3.885 94 HA THR 18 HA THR 18 -18.620 -1.995 -1.688 95 HB THR 18 HB THR 18 -18.854 -2.910 -3.937 96 HG1 THR 18 1HG THR 18 -17.161 -3.681 -2.224 97 HG21 THR 18 3HG2 THR 18 -16.291 -1.396 -4.487 98 HG22 THR 18 1HG2 THR 18 -17.863 -1.126 -5.238 99 HG23 THR 18 2HG2 THR 18 -16.971 -2.610 -5.569 100 H CYS 19 H CYS 19 -17.230 0.792 -1.913 101 HA CYS 19 HA CYS 19 -15.081 1.713 -1.510 102 HB2 CYS 19 2HB CYS 19 -14.105 0.399 0.607 103 HB3 CYS 19 1HB CYS 19 -15.462 1.501 0.741 104 H LYS 20 H LYS 20 -15.015 -0.492 -3.490 105 HA LYS 20 HA LYS 20 -12.243 -1.472 -2.903 106 HB2 LYS 20 2HB LYS 20 -14.519 -2.778 -4.396 107 HB3 LYS 20 1HB LYS 20 -12.845 -3.288 -4.623 108 HG2 LYS 20 2HG LYS 20 -12.894 -3.309 -1.948 109 HG3 LYS 20 1HG LYS 20 -14.611 -3.586 -2.237 110 HD2 LYS 20 2HD LYS 20 -14.231 -5.717 -2.851 111 HD3 LYS 20 1HD LYS 20 -13.011 -5.212 -4.021 112 HE2 LYS 20 2HE LYS 20 -11.368 -5.010 -2.137 113 HE3 LYS 20 1HE LYS 20 -12.589 -5.680 -1.055 114 HZ1 LYS 20 3HZ LYS 20 -11.227 -6.986 -3.327 115 HZ2 LYS 20 1HZ LYS 20 -12.701 -7.577 -2.735 116 HZ3 LYS 20 2HZ LYS 20 -11.343 -7.509 -1.715 117 H LEU 21 H LEU 21 -11.501 -2.275 -5.447 118 HA LEU 21 HA LEU 21 -11.055 0.315 -6.713 119 HB2 LEU 21 2HB LEU 21 -10.224 -2.512 -7.378 120 HB3 LEU 21 1HB LEU 21 -9.876 -1.162 -8.459 121 HG LEU 21 HG LEU 21 -9.178 -0.366 -5.807 122 HD11 LEU 21 1HD1 LEU 21 -9.075 -2.893 -5.478 123 HD12 LEU 21 2HD1 LEU 21 -7.583 -2.018 -5.142 124 HD13 LEU 21 3HD1 LEU 21 -7.764 -2.902 -6.657 125 HD21 LEU 21 3HD2 LEU 21 -8.115 -0.426 -8.484 126 HD22 LEU 21 1HD2 LEU 21 -6.864 -0.932 -7.348 127 HD23 LEU 21 2HD2 LEU 21 -7.661 0.627 -7.144 128 H ARG 22 H ARG 22 -12.522 1.222 -8.045 129 HA ARG 22 HA ARG 22 -14.697 -0.336 -9.198 130 HB2 ARG 22 2HB ARG 22 -14.318 2.339 -8.550 131 HB3 ARG 22 1HB ARG 22 -14.320 2.340 -10.315 132 HG2 ARG 22 2HG ARG 22 -16.396 0.640 -9.082 133 HG3 ARG 22 1HG ARG 22 -16.585 2.368 -8.785 134 HD2 ARG 22 2HD ARG 22 -15.911 2.261 -11.475 135 HD3 ARG 22 1HD ARG 22 -16.960 0.858 -11.266 136 HE ARG 22 HE ARG 22 -17.811 3.586 -10.383 137 HH11 ARG 22 1HH1 ARG 22 -18.117 1.744 -13.086 138 HH12 ARG 22 2HH1 ARG 22 -19.836 1.552 -13.018 139 HH21 ARG 22 1HH2 ARG 22 -20.120 2.844 -9.813 140 HH22 ARG 22 2HH2 ARG 22 -20.970 2.175 -11.165 141 HA PRO 23 HA PRO 23 -12.405 0.651 -13.273 142 HB2 PRO 23 2HB PRO 23 -9.922 1.817 -13.081 143 HB3 PRO 23 1HB PRO 23 -11.432 2.736 -13.206 144 HG2 PRO 23 2HG PRO 23 -9.689 2.310 -10.828 145 HG3 PRO 23 1HG PRO 23 -10.809 3.637 -11.175 146 HD2 PRO 23 2HD PRO 23 -11.293 1.454 -9.433 147 HD3 PRO 23 1HD PRO 23 -12.502 2.620 -10.012 148 H GLY 24 H GLY 24 -9.789 0.146 -14.098 149 HA2 GLY 24 2HA GLY 24 -9.396 -2.590 -13.032 150 HA3 GLY 24 1HA GLY 24 -8.702 -1.956 -14.524 151 H ALA 25 H ALA 25 -8.621 -0.719 -11.169 152 HA ALA 25 HA ALA 25 -5.666 -0.472 -11.452 153 HB1 ALA 25 1HB ALA 25 -7.771 1.004 -9.976 154 HB2 ALA 25 2HB ALA 25 -6.249 1.589 -10.647 155 HB3 ALA 25 3HB ALA 25 -6.265 0.764 -9.089 156 H GLN 26 H GLN 26 -4.277 -1.507 -9.957 157 HA GLN 26 HA GLN 26 -5.296 -3.903 -8.706 158 HB2 GLN 26 2HB GLN 26 -2.790 -2.959 -9.439 159 HB3 GLN 26 1HB GLN 26 -2.728 -2.926 -7.676 160 HG2 GLN 26 2HG GLN 26 -2.777 -5.194 -7.509 161 HG3 GLN 26 1HG GLN 26 -3.957 -5.357 -8.809 162 HE21 GLN 26 1HE2 GLN 26 -2.377 -7.204 -9.444 163 HE22 GLN 26 2HE2 GLN 26 -1.060 -6.787 -10.430 164 H CYS 27 H CYS 27 -4.213 -0.748 -7.461 165 HA CYS 27 HA CYS 27 -5.826 -1.280 -5.018 166 HB2 CYS 27 2HB CYS 27 -3.776 -1.661 -4.013 167 HB3 CYS 27 1HB CYS 27 -2.896 -0.682 -5.178 168 H GLY 28 H GLY 28 -6.609 0.685 -4.024 169 HA2 GLY 28 2HA GLY 28 -6.755 2.945 -5.940 170 HA3 GLY 28 1HA GLY 28 -7.837 2.695 -4.572 171 H GLU 29 H GLU 29 -5.812 2.133 -2.654 172 HA GLU 29 HA GLU 29 -4.066 4.508 -2.645 173 HB2 GLU 29 2HB GLU 29 -4.923 5.321 -0.542 174 HB3 GLU 29 1HB GLU 29 -6.263 5.205 -1.670 175 HG2 GLU 29 2HG GLU 29 -7.203 4.149 0.160 176 HG3 GLU 29 1HG GLU 29 -6.466 2.764 -0.649 177 H GLY 30 H GLY 30 -2.283 4.255 -1.202 178 HA2 GLY 30 2HA GLY 30 -1.891 2.481 0.874 179 HA3 GLY 30 1HA GLY 30 -1.643 1.477 -0.557 180 H LEU 31 H LEU 31 0.423 2.102 1.333 181 HA LEU 31 HA LEU 31 2.078 4.288 0.564 182 HB2 LEU 31 2HB LEU 31 2.776 1.592 1.759 183 HB3 LEU 31 1HB LEU 31 3.914 2.933 1.620 184 HG LEU 31 HG LEU 31 1.425 3.834 2.787 185 HD11 LEU 31 1HD1 LEU 31 2.231 1.199 3.555 186 HD12 LEU 31 2HD1 LEU 31 0.930 2.181 4.228 187 HD13 LEU 31 3HD1 LEU 31 2.556 2.289 4.903 188 HD21 LEU 31 3HD2 LEU 31 3.623 3.852 4.613 189 HD22 LEU 31 1HD2 LEU 31 2.966 5.204 3.690 190 HD23 LEU 31 2HD2 LEU 31 4.251 4.209 3.004 191 H CYS 32 H CYS 32 1.640 1.100 -0.820 192 HA CYS 32 HA CYS 32 3.829 1.684 -2.766 193 HB2 CYS 32 2HB CYS 32 4.020 -0.417 -1.427 194 HB3 CYS 32 1HB CYS 32 2.507 -0.969 -2.143 195 H CYS 33 H CYS 33 0.935 2.623 -2.801 196 HA CYS 33 HA CYS 33 -0.029 1.187 -5.220 197 HB2 CYS 33 2HB CYS 33 -1.367 3.297 -3.504 198 HB3 CYS 33 1HB CYS 33 -2.119 2.473 -4.871 199 H GLU 34 H GLU 34 1.223 1.990 -6.892 200 HA GLU 34 HA GLU 34 1.472 4.931 -7.197 201 HB2 GLU 34 2HB GLU 34 2.985 2.576 -8.102 202 HB3 GLU 34 1HB GLU 34 2.740 3.782 -9.364 203 HG2 GLU 34 2HG GLU 34 3.564 5.531 -7.751 204 HG3 GLU 34 1HG GLU 34 3.977 4.228 -6.636 205 H GLN 35 H GLN 35 -0.088 5.922 -8.382 206 HA GLN 35 HA GLN 35 -1.741 6.255 -10.010 207 HB2 GLN 35 2HB GLN 35 -0.210 4.008 -11.351 208 HB3 GLN 35 1HB GLN 35 -1.487 4.941 -12.130 209 HG2 GLN 35 2HG GLN 35 -0.005 6.991 -11.285 210 HG3 GLN 35 1HG GLN 35 1.276 5.781 -11.364 211 HE21 GLN 35 1HE2 GLN 35 2.209 6.957 -13.237 212 HE22 GLN 35 2HE2 GLN 35 1.499 6.811 -14.772 213 H CYS 36 H CYS 36 -2.171 4.435 -7.765 214 HA CYS 36 HA CYS 36 -3.866 3.004 -7.026 215 HB2 CYS 36 2HB CYS 36 -4.941 3.343 -9.844 216 HB3 CYS 36 1HB CYS 36 -5.829 2.682 -8.466 217 H LYS 37 H LYS 37 -1.399 2.005 -8.203 218 HA LYS 37 HA LYS 37 -2.362 -0.724 -8.900 219 HB2 LYS 37 2HB LYS 37 -0.905 1.089 -10.645 220 HB3 LYS 37 1HB LYS 37 0.020 -0.381 -10.345 221 HG2 LYS 37 2HG LYS 37 -1.676 -1.773 -11.208 222 HG3 LYS 37 1HG LYS 37 -2.905 -0.517 -11.057 223 HD2 LYS 37 2HD LYS 37 -2.344 -0.671 -13.392 224 HD3 LYS 37 1HD LYS 37 -1.614 0.815 -12.782 225 HE2 LYS 37 2HE LYS 37 0.405 -0.915 -12.290 226 HE3 LYS 37 1HE LYS 37 -0.314 -1.694 -13.699 227 HZ1 LYS 37 3HZ LYS 37 1.285 0.622 -13.592 228 HZ2 LYS 37 1HZ LYS 37 -0.236 1.033 -14.219 229 HZ3 LYS 37 2HZ LYS 37 0.683 -0.191 -14.957 230 H PHE 38 H PHE 38 -0.461 -2.324 -8.656 231 HA PHE 38 HA PHE 38 0.817 -1.792 -6.082 232 HB2 PHE 38 2HB PHE 38 0.814 -4.124 -7.993 233 HB3 PHE 38 1HB PHE 38 1.911 -4.081 -6.617 234 HD1 PHE 38 2HD PHE 38 -1.343 -2.418 -6.375 235 HD2 PHE 38 1HD PHE 38 0.811 -6.055 -5.620 236 HE1 PHE 38 2HE PHE 38 -3.164 -3.189 -4.880 237 HE2 PHE 38 1HE PHE 38 -1.013 -6.826 -4.128 238 HZ PHE 38 HZ PHE 38 -2.999 -5.391 -3.756 239 H SER 39 H SER 39 2.581 -0.436 -6.097 240 HA SER 39 HA SER 39 4.290 -0.032 -8.352 241 HB2 SER 39 2HB SER 39 5.488 0.218 -5.639 242 HB3 SER 39 1HB SER 39 5.492 1.363 -6.977 243 HG SER 39 HG SER 39 3.871 2.290 -6.036 244 H ARG 40 H ARG 40 6.879 -0.585 -7.715 245 HA ARG 40 HA ARG 40 6.865 -3.533 -7.807 246 HB2 ARG 40 2HB ARG 40 9.337 -1.808 -7.916 247 HB3 ARG 40 1HB ARG 40 9.059 -3.383 -8.659 248 HG2 ARG 40 2HG ARG 40 7.589 -0.851 -9.444 249 HG3 ARG 40 1HG ARG 40 8.993 -1.487 -10.301 250 HD2 ARG 40 2HD ARG 40 7.840 -3.409 -11.023 251 HD3 ARG 40 1HD ARG 40 6.584 -3.224 -9.797 252 HE ARG 40 HE ARG 40 5.745 -1.272 -11.113 253 HH11 ARG 40 1HH2 ARG 40 6.530 -4.086 -12.617 254 HH12 ARG 40 2HH2 ARG 40 6.732 -3.427 -14.207 255 HH21 ARG 40 1HH1 ARG 40 6.637 -0.128 -13.139 256 HH22 ARG 40 2HH1 ARG 40 6.793 -1.186 -14.502 257 H ALA 41 H ALA 41 8.312 -4.788 -6.403 258 HA ALA 41 HA ALA 41 8.129 -3.986 -3.633 259 HB1 ALA 41 1HB ALA 41 8.250 -6.387 -4.709 260 HB2 ALA 41 2HB ALA 41 8.993 -6.104 -3.134 261 HB3 ALA 41 3HB ALA 41 9.992 -6.146 -4.587 262 H GLY 42 H GLY 42 10.158 -3.971 -2.216 263 HA2 GLY 42 2HA GLY 42 12.270 -3.055 -1.719 264 HA3 GLY 42 1HA GLY 42 12.678 -3.227 -3.429 265 H LYS 43 H LYS 43 9.747 -1.583 -2.539 266 HA LYS 43 HA LYS 43 10.992 0.954 -3.542 267 HB2 LYS 43 2HB LYS 43 9.085 0.525 -4.838 268 HB3 LYS 43 1HB LYS 43 8.166 -0.061 -3.465 269 HG2 LYS 43 2HG LYS 43 7.348 1.993 -3.053 270 HG3 LYS 43 1HG LYS 43 8.970 2.678 -3.013 271 HD2 LYS 43 2HD LYS 43 8.037 1.967 -5.713 272 HD3 LYS 43 1HD LYS 43 7.098 3.243 -4.937 273 HE2 LYS 43 2HE LYS 43 8.737 4.682 -5.505 274 HE3 LYS 43 1HE LYS 43 9.779 3.848 -4.352 275 HZ1 LYS 43 3HZ LYS 43 9.656 2.290 -6.656 276 HZ2 LYS 43 1HZ LYS 43 10.991 3.138 -6.042 277 HZ3 LYS 43 2HZ LYS 43 9.950 3.887 -7.156 278 H ILE 44 H ILE 44 11.430 2.546 -2.155 279 HA ILE 44 HA ILE 44 11.237 2.383 0.626 280 HB ILE 44 HB ILE 44 11.639 4.587 -1.334 281 HG12 ILE 44 2HG1 ILE 44 13.420 3.109 -0.298 282 HG13 ILE 44 1HG1 ILE 44 13.688 4.844 -0.097 283 HG21 ILE 44 1HG2 ILE 44 10.060 5.687 0.174 284 HG22 ILE 44 2HG2 ILE 44 11.686 6.280 0.510 285 HG23 ILE 44 3HG2 ILE 44 10.944 5.090 1.579 286 HD11 ILE 44 3HD1 ILE 44 14.052 3.605 2.026 287 HD12 ILE 44 1HD1 ILE 44 12.383 3.037 1.960 288 HD13 ILE 44 2HD1 ILE 44 12.723 4.757 2.154 289 H CYS 45 H CYS 45 9.517 2.246 1.895 290 HA CYS 45 HA CYS 45 7.056 3.754 1.130 291 HB2 CYS 45 2HB CYS 45 5.961 1.913 2.662 292 HB3 CYS 45 1HB CYS 45 6.317 1.555 0.973 293 H ARG 46 H ARG 46 9.491 3.170 3.473 294 HA ARG 46 HA ARG 46 8.415 5.278 5.167 295 HB2 ARG 46 2HB ARG 46 8.101 2.430 5.885 296 HB3 ARG 46 1HB ARG 46 8.804 3.436 7.152 297 HG2 ARG 46 2HG ARG 46 6.902 5.071 6.762 298 HG3 ARG 46 1HG ARG 46 6.158 3.840 5.738 299 HD2 ARG 46 2HD ARG 46 6.211 2.248 7.641 300 HD3 ARG 46 1HD ARG 46 6.896 3.514 8.661 301 HE ARG 46 HE ARG 46 4.612 4.704 7.750 302 HH11 ARG 46 1HH1 ARG 46 3.964 1.622 7.472 303 HH12 ARG 46 2HH1 ARG 46 3.004 1.412 8.898 304 HH21 ARG 46 1HH2 ARG 46 3.947 4.443 10.298 305 HH22 ARG 46 2HH2 ARG 46 2.995 3.010 10.500 306 H ILE 47 H ILE 47 9.969 5.727 7.008 307 HA ILE 47 HA ILE 47 12.734 4.969 6.164 308 HB ILE 47 HB ILE 47 11.860 7.454 6.132 309 HG12 ILE 47 2HG1 ILE 47 14.443 7.118 7.616 310 HG13 ILE 47 1HG1 ILE 47 14.286 6.402 6.012 311 HG21 ILE 47 1HG2 ILE 47 12.916 7.663 8.884 312 HG22 ILE 47 2HG2 ILE 47 11.319 6.924 8.762 313 HG23 ILE 47 3HG2 ILE 47 11.595 8.542 8.115 314 HD11 ILE 47 3HD1 ILE 47 14.099 9.306 6.799 315 HD12 ILE 47 1HD1 ILE 47 13.378 8.727 5.297 316 HD13 ILE 47 2HD1 ILE 47 15.114 8.564 5.563 317 H ALA 48 H ALA 48 14.283 4.566 7.888 318 HA ALA 48 HA ALA 48 12.987 3.392 10.276 319 HB1 ALA 48 1HB ALA 48 14.616 1.865 9.945 320 HB2 ALA 48 2HB ALA 48 15.771 3.080 10.491 321 HB3 ALA 48 3HB ALA 48 15.423 2.903 8.770 322 H ARG 49 H ARG 49 14.505 3.753 12.365 323 HA ARG 49 HA ARG 49 15.344 6.601 12.459 324 HB2 ARG 49 2HB ARG 49 13.646 5.445 14.665 325 HB3 ARG 49 1HB ARG 49 13.995 7.137 14.315 326 HG2 ARG 49 2HG ARG 49 12.817 6.502 11.996 327 HG3 ARG 49 1HG ARG 49 12.027 5.305 13.023 328 HD2 ARG 49 2HD ARG 49 11.611 7.294 14.644 329 HD3 ARG 49 1HD ARG 49 11.962 8.309 13.245 330 HE ARG 49 HE ARG 49 9.621 6.517 13.540 331 HH11 ARG 49 1HH1 ARG 49 10.653 9.475 12.458 332 HH12 ARG 49 2HH1 ARG 49 9.811 9.436 10.944 333 HH21 ARG 49 1HH2 ARG 49 8.901 6.102 11.237 334 HH22 ARG 49 2HH2 ARG 49 8.820 7.525 10.252 335 H GLY 50 H GLY 50 16.659 3.786 12.678 336 HA2 GLY 50 2HA GLY 50 18.860 4.220 14.108 337 HA3 GLY 50 1HA GLY 50 17.730 4.040 15.434 338 H ASP 51 H ASP 51 16.629 1.944 15.606 339 HA ASP 51 HA ASP 51 18.522 -0.217 15.247 340 HB2 ASP 51 2HB ASP 51 15.927 0.167 16.592 341 HB3 ASP 51 1HB ASP 51 16.252 -1.477 16.036 342 H TRP 52 H TRP 52 15.867 0.904 13.327 343 HA TRP 52 HA TRP 52 16.046 -1.653 11.786 344 HB2 TRP 52 2HB TRP 52 13.715 -1.027 10.962 345 HB3 TRP 52 1HB TRP 52 13.829 -1.506 12.654 346 HD1 TRP 52 HD TRP 52 12.701 1.235 10.473 347 HE1 TRP 52 1HE TRP 52 12.006 3.291 11.863 348 HE3 TRP 52 3HE TRP 52 14.569 -0.119 15.005 349 HZ2 TRP 52 2HZ TRP 52 12.230 4.235 14.556 350 HZ3 TRP 52 3HZ TRP 52 14.335 1.372 16.965 351 HH2 TRP 52 HH TRP 52 13.161 3.545 16.751 352 H ASN 53 H ASN 53 15.215 -1.176 9.404 353 HA ASN 53 HA ASN 53 16.729 1.224 8.465 354 HB2 ASN 53 2HB ASN 53 16.855 -0.147 6.281 355 HB3 ASN 53 1HB ASN 53 17.850 -0.698 7.630 356 HD21 ASN 53 1HD2 ASN 53 17.792 -2.958 7.540 357 HD22 ASN 53 2HD2 ASN 53 16.376 -3.883 7.398 358 H ASP 54 H ASP 54 15.835 1.423 5.900 359 HA ASP 54 HA ASP 54 13.141 2.470 6.289 360 HB2 ASP 54 2HB ASP 54 14.896 2.268 3.826 361 HB3 ASP 54 1HB ASP 54 13.344 3.106 3.879 362 H ASP 55 H ASP 55 11.233 1.546 5.611 363 HA ASP 55 HA ASP 55 11.255 -1.282 4.923 364 HB2 ASP 55 2HB ASP 55 8.842 0.516 4.740 365 HB3 ASP 55 1HB ASP 55 8.914 -1.189 5.187 366 H ARG 56 H ARG 56 10.402 -2.185 2.930 367 HA ARG 56 HA ARG 56 10.377 -0.272 0.632 368 HB2 ARG 56 2HB ARG 56 11.501 -3.046 0.364 369 HB3 ARG 56 1HB ARG 56 11.798 -1.626 -0.636 370 HG2 ARG 56 2HG ARG 56 12.616 -0.913 1.969 371 HG3 ARG 56 1HG ARG 56 13.257 -2.531 1.683 372 HD2 ARG 56 2HD ARG 56 14.562 -1.847 -0.107 373 HD3 ARG 56 1HD ARG 56 13.502 -0.493 -0.496 374 HE ARG 56 HE ARG 56 14.747 -0.097 2.074 375 HH11 ARG 56 1HH2 ARG 56 16.031 -0.696 -0.993 376 HH12 ARG 56 2HH2 ARG 56 16.959 0.765 -1.072 377 HH21 ARG 56 1HH1 ARG 56 15.626 2.083 1.845 378 HH22 ARG 56 2HH1 ARG 56 16.731 2.337 0.536 379 H CYS 57 H CYS 57 8.875 -0.741 -1.002 380 HA CYS 57 HA CYS 57 6.497 -2.098 -0.367 381 HB2 CYS 57 2HB CYS 57 6.734 -0.580 -2.327 382 HB3 CYS 57 1HB CYS 57 7.712 -1.805 -3.129 383 H THR 58 H THR 58 5.762 -4.197 -0.717 384 HA THR 58 HA THR 58 7.807 -6.277 -0.810 385 HB THR 58 HB THR 58 5.102 -7.269 -1.001 386 HG1 THR 58 1HG THR 58 4.635 -6.276 1.167 387 HG21 THR 58 3HG2 THR 58 6.493 -8.717 0.106 388 HG22 THR 58 1HG2 THR 58 5.895 -7.830 1.508 389 HG23 THR 58 2HG2 THR 58 7.458 -7.418 0.805 390 H GLY 59 H GLY 59 5.423 -4.934 -2.993 391 HA2 GLY 59 2HA GLY 59 5.917 -5.172 -5.426 392 HA3 GLY 59 1HA GLY 59 6.388 -6.838 -5.085 393 H GLN 60 H GLN 60 4.337 -7.647 -3.415 394 HA GLN 60 HA GLN 60 1.968 -7.478 -5.228 395 HB2 GLN 60 2HB GLN 60 2.314 -9.636 -3.166 396 HB3 GLN 60 1HB GLN 60 1.444 -9.692 -4.700 397 HG2 GLN 60 2HG GLN 60 3.646 -9.531 -5.890 398 HG3 GLN 60 1HG GLN 60 4.451 -9.652 -4.325 399 HE21 GLN 60 1HE2 GLN 60 1.718 -11.414 -5.916 400 HE22 GLN 60 2HE2 GLN 60 2.319 -12.959 -5.554 401 H SER 61 H SER 61 3.011 -5.936 -2.652 402 HA SER 61 HA SER 61 0.352 -6.055 -1.274 403 HB2 SER 61 2HB SER 61 3.004 -5.417 0.043 404 HB3 SER 61 1HB SER 61 1.447 -5.632 0.838 405 HG SER 61 HG SER 61 3.186 -7.469 0.481 406 H ALA 62 H ALA 62 -0.721 -4.155 -1.538 407 HA ALA 62 HA ALA 62 0.508 -1.813 -2.653 408 HB1 ALA 62 1HB ALA 62 -2.148 -2.599 -1.715 409 HB2 ALA 62 2HB ALA 62 -1.699 -1.505 -3.025 410 HB3 ALA 62 3HB ALA 62 -1.779 -0.910 -1.366 411 H ASP 63 H ASP 63 -0.271 -2.774 0.671 412 HA ASP 63 HA ASP 63 0.606 -0.203 1.756 413 HB2 ASP 63 2HB ASP 63 0.011 -2.860 3.096 414 HB3 ASP 63 1HB ASP 63 0.378 -1.364 3.957 415 H CYS 64 H CYS 64 2.314 -0.691 3.769 416 HA CYS 64 HA CYS 64 4.616 -2.054 2.436 417 HB2 CYS 64 2HB CYS 64 5.010 0.329 2.427 418 HB3 CYS 64 1HB CYS 64 4.596 0.456 4.133 419 HA PRO 65 HA PRO 65 4.667 -4.515 6.054 420 HB2 PRO 65 2HB PRO 65 6.952 -5.863 5.378 421 HB3 PRO 65 1HB PRO 65 5.375 -6.234 4.687 422 HG2 PRO 65 2HG PRO 65 7.710 -4.864 3.457 423 HG3 PRO 65 1HG PRO 65 6.386 -5.745 2.675 424 HD2 PRO 65 2HD PRO 65 6.638 -2.931 2.855 425 HD3 PRO 65 1HD PRO 65 5.191 -3.829 2.350 426 H ARG 66 H ARG 66 5.400 -3.763 8.017 427 HA ARG 66 HA ARG 66 8.028 -2.352 8.062 428 HB2 ARG 66 2HB ARG 66 7.175 -1.484 10.298 429 HB3 ARG 66 1HB ARG 66 6.287 -0.926 8.877 430 HG2 ARG 66 2HG ARG 66 5.255 -3.458 9.917 431 HG3 ARG 66 1HG ARG 66 5.169 -2.155 11.103 432 HD2 ARG 66 2HD ARG 66 3.486 -1.151 9.991 433 HD3 ARG 66 1HD ARG 66 4.373 -1.226 8.468 434 HE ARG 66 HE ARG 66 2.807 -2.902 7.938 435 HH11 ARG 66 1HH2 ARG 66 2.589 -2.650 11.257 436 HH12 ARG 66 2HH2 ARG 66 2.290 -4.331 11.552 437 HH21 ARG 66 1HH1 ARG 66 2.961 -5.297 8.290 438 HH22 ARG 66 2HH1 ARG 66 2.500 -5.829 9.873 439 H ASN 67 H ASN 67 9.422 -2.725 9.901 440 HA ASN 67 HA ASN 67 9.593 -5.546 10.625 441 HB2 ASN 67 2HB ASN 67 11.687 -4.924 11.646 442 HB3 ASN 67 1HB ASN 67 11.554 -3.975 10.170 443 HD21 ASN 67 1HD2 ASN 67 12.624 -3.562 13.192 444 HD22 ASN 67 2HD2 ASN 67 12.137 -1.964 13.494 445 HA PRO 68 HA PRO 68 7.606 -5.260 14.541 446 HB2 PRO 68 2HB PRO 68 9.174 -6.925 16.079 447 HB3 PRO 68 1HB PRO 68 8.029 -7.500 14.855 448 HG2 PRO 68 2HG PRO 68 10.996 -7.407 14.754 449 HG3 PRO 68 1HG PRO 68 9.878 -8.443 13.857 450 HD2 PRO 68 2HD PRO 68 11.206 -6.144 12.861 451 HD3 PRO 68 1HD PRO 68 9.898 -7.033 12.060 452 H TRP 69 H TRP 69 10.267 -3.536 14.017 453 HA TRP 69 HA TRP 69 10.394 -2.579 16.838 454 HB2 TRP 69 2HB TRP 69 12.846 -2.587 15.096 455 HB3 TRP 69 1HB TRP 69 12.735 -2.523 16.856 456 HD1 TRP 69 HD TRP 69 11.043 -4.898 17.625 457 HE1 TRP 69 1HE TRP 69 11.748 -7.326 17.139 458 HE3 TRP 69 3HE TRP 69 14.332 -4.103 13.808 459 HZ2 TRP 69 2HZ TRP 69 13.473 -8.745 15.362 460 HZ3 TRP 69 3HZ TRP 69 15.489 -6.014 12.732 461 HH2 TRP 69 HH TRP 69 15.058 -8.331 13.505 462 H ASN 70 H ASN 70 9.862 -1.830 13.592 463 HA ASN 70 HA ASN 70 10.998 0.665 13.145 464 HB2 ASN 70 2HB ASN 70 8.793 -0.801 12.102 465 HB3 ASN 70 1HB ASN 70 8.237 0.845 12.408 466 HD21 ASN 70 1HD2 ASN 70 9.831 2.614 11.549 467 HD22 ASN 70 2HD2 ASN 70 10.582 2.298 10.060 468 H GLY 71 H GLY 71 7.688 0.388 14.379 469 HA2 GLY 71 2HA GLY 71 8.037 2.970 15.780 470 HA3 GLY 71 1HA GLY 71 6.505 2.131 15.536 Start of MODEL 14 1 H GLY 1 1HT GLY 1 -10.337 -11.142 5.363 2 HA2 GLY 1 1HA GLY 1 -9.889 -10.042 3.386 3 HA3 GLY 1 2HA GLY 1 -10.837 -11.201 2.455 4 H LYS 2 H LYS 2 -11.014 -8.142 3.011 5 HA LYS 2 HA LYS 2 -13.825 -8.080 4.002 6 HB2 LYS 2 2HB LYS 2 -11.545 -6.287 4.230 7 HB3 LYS 2 1HB LYS 2 -12.957 -5.450 3.584 8 HG2 LYS 2 2HG LYS 2 -14.180 -6.809 5.539 9 HG3 LYS 2 1HG LYS 2 -12.568 -6.726 6.253 10 HD2 LYS 2 2HD LYS 2 -14.002 -4.301 5.147 11 HD3 LYS 2 1HD LYS 2 -14.105 -4.789 6.838 12 HE2 LYS 2 2HE LYS 2 -11.389 -4.567 5.611 13 HE3 LYS 2 1HE LYS 2 -12.239 -3.074 6.012 14 HZ1 LYS 2 3HZ LYS 2 -11.975 -5.295 7.947 15 HZ2 LYS 2 1HZ LYS 2 -12.379 -3.677 8.253 16 HZ3 LYS 2 2HZ LYS 2 -10.792 -4.084 7.804 17 H GLU 3 H GLU 3 -14.783 -5.826 2.776 18 HA GLU 3 HA GLU 3 -14.565 -6.457 -0.144 19 HB2 GLU 3 2HB GLU 3 -16.976 -5.865 -0.317 20 HB3 GLU 3 1HB GLU 3 -16.712 -7.254 0.740 21 HG2 GLU 3 2HG GLU 3 -17.375 -6.126 2.606 22 HG3 GLU 3 1HG GLU 3 -16.610 -4.623 2.087 23 H CYS 4 H CYS 4 -13.209 -4.385 1.557 24 HA CYS 4 HA CYS 4 -14.044 -2.056 -0.092 25 HB2 CYS 4 2HB CYS 4 -15.081 -1.789 2.150 26 HB3 CYS 4 1HB CYS 4 -13.484 -1.912 2.887 27 H ASP 5 H ASP 5 -12.302 -1.034 -0.972 28 HA ASP 5 HA ASP 5 -9.603 -1.759 0.092 29 HB2 ASP 5 2HB ASP 5 -10.143 -2.571 -2.229 30 HB3 ASP 5 1HB ASP 5 -10.310 -0.886 -2.726 31 H CYS 6 H CYS 6 -11.833 0.764 -0.412 32 HA CYS 6 HA CYS 6 -9.714 2.752 0.261 33 HB2 CYS 6 2HB CYS 6 -11.806 2.956 -1.910 34 HB3 CYS 6 1HB CYS 6 -11.035 4.382 -1.220 35 H SER 7 H SER 7 -10.418 4.360 1.702 36 HA SER 7 HA SER 7 -13.025 3.804 3.000 37 HB2 SER 7 2HB SER 7 -11.025 5.874 3.903 38 HB3 SER 7 1HB SER 7 -12.202 4.988 4.868 39 HG SER 7 HG SER 7 -9.677 4.273 4.019 40 H SER 8 H SER 8 -12.280 5.446 0.373 41 HA SER 8 HA SER 8 -13.969 7.806 1.093 42 HB2 SER 8 2HB SER 8 -12.235 7.835 -1.339 43 HB3 SER 8 1HB SER 8 -12.703 9.163 -0.282 44 HG SER 8 HG SER 8 -11.362 8.023 1.338 45 HA PRO 9 HA PRO 9 -16.736 5.867 -1.828 46 HB2 PRO 9 2HB PRO 9 -18.766 7.688 -1.498 47 HB3 PRO 9 1HB PRO 9 -18.439 6.371 -0.358 48 HG2 PRO 9 2HG PRO 9 -17.879 9.284 -0.068 49 HG3 PRO 9 1HG PRO 9 -18.153 8.063 1.186 50 HD2 PRO 9 2HD PRO 9 -15.637 9.105 0.397 51 HD3 PRO 9 1HD PRO 9 -15.907 7.680 1.422 52 H GLU 10 H GLU 10 -15.462 9.091 -1.950 53 HA GLU 10 HA GLU 10 -16.557 9.517 -4.686 54 HB2 GLU 10 2HB GLU 10 -15.020 11.401 -2.869 55 HB3 GLU 10 1HB GLU 10 -15.708 11.823 -4.438 56 HG2 GLU 10 2HG GLU 10 -17.825 11.958 -3.613 57 HG3 GLU 10 1HG GLU 10 -17.607 10.559 -2.561 58 H ASN 11 H ASN 11 -14.415 7.560 -4.024 59 HA ASN 11 HA ASN 11 -12.005 8.795 -5.201 60 HB2 ASN 11 2HB ASN 11 -11.912 7.172 -3.258 61 HB3 ASN 11 1HB ASN 11 -12.424 5.911 -4.379 62 HD21 ASN 11 1HD2 ASN 11 -9.690 6.932 -2.951 63 HD22 ASN 11 2HD2 ASN 11 -8.562 6.662 -4.188 64 HA PRO 12 HA PRO 12 -13.195 7.355 -9.228 65 HB2 PRO 12 2HB PRO 12 -10.844 8.031 -10.485 66 HB3 PRO 12 1HB PRO 12 -12.103 9.206 -10.067 67 HG2 PRO 12 2HG PRO 12 -9.464 8.738 -8.760 68 HG3 PRO 12 1HG PRO 12 -10.438 10.216 -8.822 69 HD2 PRO 12 2HD PRO 12 -10.246 8.452 -6.621 70 HD3 PRO 12 1HD PRO 12 -11.461 9.731 -6.828 71 H CYS 13 H CYS 13 -10.377 6.288 -7.469 72 HA CYS 13 HA CYS 13 -10.003 3.994 -9.317 73 HB2 CYS 13 2HB CYS 13 -8.303 5.458 -7.382 74 HB3 CYS 13 1HB CYS 13 -8.044 3.712 -7.445 75 H CYS 14 H CYS 14 -12.015 4.627 -6.906 76 HA CYS 14 HA CYS 14 -11.966 1.816 -5.948 77 HB2 CYS 14 2HB CYS 14 -12.473 4.056 -4.001 78 HB3 CYS 14 1HB CYS 14 -12.033 2.380 -3.669 79 H ASP 15 H ASP 15 -13.976 0.975 -6.186 80 HA ASP 15 HA ASP 15 -16.223 2.674 -6.907 81 HB2 ASP 15 2HB ASP 15 -15.732 0.211 -7.623 82 HB3 ASP 15 1HB ASP 15 -16.480 -0.213 -6.083 83 H ALA 16 H ALA 16 -17.551 3.675 -5.477 84 HA ALA 16 HA ALA 16 -17.303 3.171 -2.618 85 HB1 ALA 16 1HB ALA 16 -18.947 4.951 -2.368 86 HB2 ALA 16 2HB ALA 16 -19.355 4.860 -4.082 87 HB3 ALA 16 3HB ALA 16 -17.764 5.437 -3.582 88 H ALA 17 H ALA 17 -19.593 2.325 -5.167 89 HA ALA 17 HA ALA 17 -21.757 1.437 -3.570 90 HB1 ALA 17 1HB ALA 17 -20.696 0.462 -6.233 91 HB2 ALA 17 2HB ALA 17 -22.060 1.542 -5.945 92 HB3 ALA 17 3HB ALA 17 -22.180 -0.163 -5.513 93 H THR 18 H THR 18 -18.677 -0.075 -4.335 94 HA THR 18 HA THR 18 -19.453 -2.392 -2.607 95 HB THR 18 HB THR 18 -17.928 -3.758 -3.845 96 HG1 THR 18 1HG THR 18 -16.592 -2.792 -5.449 97 HG21 THR 18 3HG2 THR 18 -19.454 -1.895 -5.679 98 HG22 THR 18 1HG2 THR 18 -19.994 -3.450 -5.045 99 HG23 THR 18 2HG2 THR 18 -18.685 -3.386 -6.225 100 H CYS 19 H CYS 19 -17.409 0.330 -2.961 101 HA CYS 19 HA CYS 19 -15.904 1.241 -1.387 102 HB2 CYS 19 2HB CYS 19 -17.311 -0.418 0.186 103 HB3 CYS 19 1HB CYS 19 -15.772 -1.277 0.203 104 H LYS 20 H LYS 20 -15.408 -1.081 -3.552 105 HA LYS 20 HA LYS 20 -12.582 -1.589 -2.706 106 HB2 LYS 20 2HB LYS 20 -14.198 -3.092 -4.782 107 HB3 LYS 20 1HB LYS 20 -12.604 -3.528 -4.165 108 HG2 LYS 20 2HG LYS 20 -13.435 -4.210 -2.100 109 HG3 LYS 20 1HG LYS 20 -14.862 -3.179 -2.220 110 HD2 LYS 20 2HD LYS 20 -15.653 -5.405 -2.557 111 HD3 LYS 20 1HD LYS 20 -15.601 -4.673 -4.162 112 HE2 LYS 20 2HE LYS 20 -14.614 -6.902 -4.263 113 HE3 LYS 20 1HE LYS 20 -13.354 -5.695 -4.515 114 HZ1 LYS 20 3HZ LYS 20 -12.277 -6.585 -2.816 115 HZ2 LYS 20 1HZ LYS 20 -13.557 -7.646 -2.485 116 HZ3 LYS 20 2HZ LYS 20 -13.533 -6.099 -1.780 117 H LEU 21 H LEU 21 -11.842 -2.403 -5.428 118 HA LEU 21 HA LEU 21 -11.131 0.241 -6.444 119 HB2 LEU 21 2HB LEU 21 -10.520 -2.594 -7.252 120 HB3 LEU 21 1HB LEU 21 -10.119 -1.255 -8.328 121 HG LEU 21 HG LEU 21 -9.284 -0.582 -5.666 122 HD11 LEU 21 1HD1 LEU 21 -9.275 -3.087 -5.394 123 HD12 LEU 21 2HD1 LEU 21 -7.688 -2.338 -5.212 124 HD13 LEU 21 3HD1 LEU 21 -8.104 -3.167 -6.712 125 HD21 LEU 21 3HD2 LEU 21 -8.249 -0.746 -8.408 126 HD22 LEU 21 1HD2 LEU 21 -7.019 -1.061 -7.183 127 HD23 LEU 21 2HD2 LEU 21 -7.922 0.454 -7.157 128 H ARG 22 H ARG 22 -12.094 1.311 -8.145 129 HA ARG 22 HA ARG 22 -14.581 0.181 -9.215 130 HB2 ARG 22 2HB ARG 22 -13.589 2.786 -8.804 131 HB3 ARG 22 1HB ARG 22 -13.733 2.603 -10.553 132 HG2 ARG 22 2HG ARG 22 -15.988 1.587 -8.890 133 HG3 ARG 22 1HG ARG 22 -15.817 3.335 -9.033 134 HD2 ARG 22 2HD ARG 22 -15.454 2.587 -11.626 135 HD3 ARG 22 1HD ARG 22 -16.573 1.337 -11.082 136 HE ARG 22 HE ARG 22 -17.920 3.438 -10.201 137 HH11 ARG 22 1HH1 ARG 22 -16.050 5.285 -11.718 138 HH12 ARG 22 2HH1 ARG 22 -16.931 5.530 -13.190 139 HH21 ARG 22 1HH2 ARG 22 -19.054 2.837 -12.681 140 HH22 ARG 22 2HH2 ARG 22 -18.630 4.143 -13.735 141 HA PRO 23 HA PRO 23 -12.088 0.287 -13.270 142 HB2 PRO 23 2HB PRO 23 -9.472 1.117 -13.170 143 HB3 PRO 23 1HB PRO 23 -10.835 2.220 -13.424 144 HG2 PRO 23 2HG PRO 23 -9.171 1.834 -10.986 145 HG3 PRO 23 1HG PRO 23 -10.095 3.254 -11.500 146 HD2 PRO 23 2HD PRO 23 -10.878 1.364 -9.530 147 HD3 PRO 23 1HD PRO 23 -11.897 2.629 -10.244 148 H GLY 24 H GLY 24 -9.535 -0.658 -13.935 149 HA2 GLY 24 2HA GLY 24 -9.516 -3.260 -12.518 150 HA3 GLY 24 1HA GLY 24 -8.693 -2.909 -14.039 151 H ALA 25 H ALA 25 -8.480 -0.747 -11.298 152 HA ALA 25 HA ALA 25 -5.581 -0.897 -11.306 153 HB1 ALA 25 1HB ALA 25 -5.933 1.154 -10.433 154 HB2 ALA 25 2HB ALA 25 -6.435 0.373 -8.934 155 HB3 ALA 25 3HB ALA 25 -7.637 0.788 -10.156 156 H GLN 26 H GLN 26 -4.231 -1.865 -9.723 157 HA GLN 26 HA GLN 26 -5.310 -4.193 -8.390 158 HB2 GLN 26 2HB GLN 26 -2.689 -2.977 -8.835 159 HB3 GLN 26 1HB GLN 26 -2.838 -3.658 -7.216 160 HG2 GLN 26 2HG GLN 26 -2.082 -5.470 -8.542 161 HG3 GLN 26 1HG GLN 26 -3.817 -5.741 -8.384 162 HE21 GLN 26 1HE2 GLN 26 -1.445 -5.882 -10.663 163 HE22 GLN 26 2HE2 GLN 26 -2.339 -5.478 -12.048 164 H CYS 27 H CYS 27 -4.512 -0.911 -7.414 165 HA CYS 27 HA CYS 27 -6.065 -1.303 -4.942 166 HB2 CYS 27 2HB CYS 27 -4.054 -1.778 -3.887 167 HB3 CYS 27 1HB CYS 27 -3.103 -0.828 -5.019 168 H GLY 28 H GLY 28 -6.694 0.776 -4.013 169 HA2 GLY 28 2HA GLY 28 -6.697 2.922 -6.065 170 HA3 GLY 28 1HA GLY 28 -7.818 2.804 -4.714 171 H GLU 29 H GLU 29 -5.811 2.241 -2.738 172 HA GLU 29 HA GLU 29 -4.013 4.576 -2.824 173 HB2 GLU 29 2HB GLU 29 -4.881 5.493 -0.752 174 HB3 GLU 29 1HB GLU 29 -6.186 5.380 -1.926 175 HG2 GLU 29 2HG GLU 29 -7.355 4.100 -0.503 176 HG3 GLU 29 1HG GLU 29 -6.068 2.896 -0.540 177 H GLY 30 H GLY 30 -2.213 4.315 -1.454 178 HA2 GLY 30 2HA GLY 30 -1.820 2.715 0.753 179 HA3 GLY 30 1HA GLY 30 -1.678 1.572 -0.588 180 H LEU 31 H LEU 31 0.512 2.285 1.158 181 HA LEU 31 HA LEU 31 2.194 4.308 0.038 182 HB2 LEU 31 2HB LEU 31 2.680 1.890 1.761 183 HB3 LEU 31 1HB LEU 31 4.040 2.820 1.137 184 HG LEU 31 HG LEU 31 1.761 4.253 2.464 185 HD11 LEU 31 1HD1 LEU 31 4.115 3.401 4.100 186 HD12 LEU 31 2HD1 LEU 31 2.822 2.231 3.835 187 HD13 LEU 31 3HD1 LEU 31 2.469 3.774 4.612 188 HD21 LEU 31 3HD2 LEU 31 3.807 5.669 3.163 189 HD22 LEU 31 1HD2 LEU 31 3.349 5.699 1.460 190 HD23 LEU 31 2HD2 LEU 31 4.708 4.709 1.989 191 H CYS 32 H CYS 32 1.321 1.193 -1.090 192 HA CYS 32 HA CYS 32 3.591 1.261 -3.038 193 HB2 CYS 32 2HB CYS 32 2.801 -0.809 -1.335 194 HB3 CYS 32 1HB CYS 32 2.148 -1.264 -2.909 195 H CYS 33 H CYS 33 0.654 2.383 -2.945 196 HA CYS 33 HA CYS 33 -0.363 1.059 -5.405 197 HB2 CYS 33 2HB CYS 33 -1.680 3.216 -3.733 198 HB3 CYS 33 1HB CYS 33 -2.444 2.238 -4.986 199 H GLU 34 H GLU 34 1.247 1.963 -6.838 200 HA GLU 34 HA GLU 34 1.269 4.908 -7.138 201 HB2 GLU 34 2HB GLU 34 3.318 3.200 -7.312 202 HB3 GLU 34 1HB GLU 34 2.772 3.104 -8.987 203 HG2 GLU 34 2HG GLU 34 3.244 5.334 -9.418 204 HG3 GLU 34 1HG GLU 34 3.061 5.806 -7.729 205 H GLN 35 H GLN 35 -0.344 5.718 -8.377 206 HA GLN 35 HA GLN 35 -1.738 5.995 -10.243 207 HB2 GLN 35 2HB GLN 35 0.522 4.792 -11.285 208 HB3 GLN 35 1HB GLN 35 -0.760 3.678 -11.763 209 HG2 GLN 35 2HG GLN 35 -2.030 5.538 -12.750 210 HG3 GLN 35 1HG GLN 35 -0.774 6.672 -12.250 211 HE21 GLN 35 1HE2 GLN 35 -0.409 3.390 -13.680 212 HE22 GLN 35 2HE2 GLN 35 0.472 3.914 -15.035 213 H CYS 36 H CYS 36 -2.320 4.240 -7.981 214 HA CYS 36 HA CYS 36 -4.076 2.832 -7.346 215 HB2 CYS 36 2HB CYS 36 -4.837 2.883 -10.280 216 HB3 CYS 36 1HB CYS 36 -5.861 2.382 -8.932 217 H LYS 37 H LYS 37 -1.447 1.969 -8.864 218 HA LYS 37 HA LYS 37 -2.280 -0.889 -9.163 219 HB2 LYS 37 2HB LYS 37 0.061 0.484 -10.521 220 HB3 LYS 37 1HB LYS 37 -0.503 -1.165 -10.799 221 HG2 LYS 37 2HG LYS 37 -2.758 -0.098 -11.441 222 HG3 LYS 37 1HG LYS 37 -1.873 1.426 -11.526 223 HD2 LYS 37 2HD LYS 37 -0.989 0.879 -13.525 224 HD3 LYS 37 1HD LYS 37 -0.426 -0.674 -12.906 225 HE2 LYS 37 2HE LYS 37 -3.338 -0.543 -13.297 226 HE3 LYS 37 1HE LYS 37 -2.412 -0.365 -14.787 227 HZ1 LYS 37 3HZ LYS 37 -1.287 -2.401 -13.192 228 HZ2 LYS 37 1HZ LYS 37 -1.934 -2.512 -14.755 229 HZ3 LYS 37 2HZ LYS 37 -2.945 -2.703 -13.404 230 H PHE 38 H PHE 38 -0.383 -2.408 -8.632 231 HA PHE 38 HA PHE 38 0.709 -1.605 -6.046 232 HB2 PHE 38 2HB PHE 38 1.067 -4.091 -7.739 233 HB3 PHE 38 1HB PHE 38 1.826 -3.880 -6.164 234 HD1 PHE 38 2HD PHE 38 -0.607 -2.246 -5.006 235 HD2 PHE 38 1HD PHE 38 -0.261 -6.008 -7.055 236 HE1 PHE 38 2HE PHE 38 -2.684 -3.032 -3.916 237 HE2 PHE 38 1HE PHE 38 -2.342 -6.791 -5.961 238 HZ PHE 38 HZ PHE 38 -3.554 -5.303 -4.392 239 H SER 39 H SER 39 2.582 -0.507 -5.807 240 HA SER 39 HA SER 39 4.253 0.244 -7.981 241 HB2 SER 39 2HB SER 39 5.327 0.057 -5.182 242 HB3 SER 39 1HB SER 39 5.603 1.304 -6.394 243 HG SER 39 HG SER 39 4.003 2.321 -5.510 244 H ARG 40 H ARG 40 6.875 -0.328 -6.914 245 HA ARG 40 HA ARG 40 7.027 -3.218 -7.651 246 HB2 ARG 40 2HB ARG 40 9.167 -2.801 -8.587 247 HB3 ARG 40 1HB ARG 40 8.198 -1.413 -9.079 248 HG2 ARG 40 2HG ARG 40 9.115 -0.458 -6.740 249 HG3 ARG 40 1HG ARG 40 10.439 -1.560 -7.122 250 HD2 ARG 40 2HD ARG 40 9.367 0.435 -9.124 251 HD3 ARG 40 1HD ARG 40 10.683 0.820 -8.015 252 HE ARG 40 HE ARG 40 12.098 -0.444 -9.400 253 HH11 ARG 40 1HH1 ARG 40 10.108 -0.173 -11.639 254 HH12 ARG 40 2HH1 ARG 40 9.862 -1.826 -12.098 255 HH21 ARG 40 1HH2 ARG 40 11.225 -3.113 -9.181 256 HH22 ARG 40 2HH2 ARG 40 10.493 -3.490 -10.704 257 H ALA 41 H ALA 41 8.630 -4.513 -6.498 258 HA ALA 41 HA ALA 41 8.615 -4.006 -3.652 259 HB1 ALA 41 1HB ALA 41 9.666 -6.121 -3.436 260 HB2 ALA 41 2HB ALA 41 10.383 -6.020 -5.043 261 HB3 ALA 41 3HB ALA 41 8.649 -6.291 -4.867 262 H GLY 42 H GLY 42 10.694 -3.966 -2.362 263 HA2 GLY 42 2HA GLY 42 12.821 -3.045 -1.932 264 HA3 GLY 42 1HA GLY 42 13.140 -3.136 -3.663 265 H LYS 43 H LYS 43 10.276 -1.512 -2.495 266 HA LYS 43 HA LYS 43 11.514 1.062 -3.414 267 HB2 LYS 43 2HB LYS 43 9.656 1.099 -4.707 268 HB3 LYS 43 1HB LYS 43 8.876 -0.169 -3.771 269 HG2 LYS 43 2HG LYS 43 7.543 1.862 -3.599 270 HG3 LYS 43 1HG LYS 43 8.293 1.552 -2.035 271 HD2 LYS 43 2HD LYS 43 9.346 3.538 -2.106 272 HD3 LYS 43 1HD LYS 43 10.090 3.116 -3.648 273 HE2 LYS 43 2HE LYS 43 7.739 3.698 -4.645 274 HE3 LYS 43 1HE LYS 43 7.514 4.578 -3.134 275 HZ1 LYS 43 3HZ LYS 43 9.498 5.036 -5.264 276 HZ2 LYS 43 1HZ LYS 43 9.811 5.556 -3.680 277 HZ3 LYS 43 2HZ LYS 43 8.455 6.148 -4.515 278 H ILE 44 H ILE 44 12.049 2.486 -1.841 279 HA ILE 44 HA ILE 44 11.590 2.098 0.911 280 HB ILE 44 HB ILE 44 13.286 3.641 0.233 281 HG12 ILE 44 2HG1 ILE 44 12.498 5.804 1.356 282 HG13 ILE 44 1HG1 ILE 44 10.935 5.016 1.559 283 HG21 ILE 44 1HG2 ILE 44 12.607 5.793 -0.924 284 HG22 ILE 44 2HG2 ILE 44 11.023 5.061 -1.180 285 HG23 ILE 44 3HG2 ILE 44 12.458 4.333 -1.903 286 HD11 ILE 44 3HD1 ILE 44 13.587 3.970 2.592 287 HD12 ILE 44 1HD1 ILE 44 12.028 3.168 2.784 288 HD13 ILE 44 2HD1 ILE 44 12.325 4.719 3.570 289 H CYS 45 H CYS 45 9.376 1.533 1.161 290 HA CYS 45 HA CYS 45 7.259 3.440 0.449 291 HB2 CYS 45 2HB CYS 45 5.876 1.820 1.942 292 HB3 CYS 45 1HB CYS 45 6.439 1.249 0.375 293 H ARG 46 H ARG 46 9.316 2.837 3.148 294 HA ARG 46 HA ARG 46 8.096 5.108 4.571 295 HB2 ARG 46 2HB ARG 46 7.182 2.585 5.200 296 HB3 ARG 46 1HB ARG 46 8.478 2.817 6.372 297 HG2 ARG 46 2HG ARG 46 7.156 5.268 6.356 298 HG3 ARG 46 1HG ARG 46 5.854 4.082 6.251 299 HD2 ARG 46 2HD ARG 46 7.649 3.026 8.135 300 HD3 ARG 46 1HD ARG 46 7.541 4.743 8.518 301 HE ARG 46 HE ARG 46 4.915 3.632 8.070 302 HH11 ARG 46 1HH2 ARG 46 5.461 5.551 10.252 303 HH12 ARG 46 2HH2 ARG 46 5.385 4.557 11.668 304 HH21 ARG 46 1HH1 ARG 46 5.704 1.581 9.916 305 HH22 ARG 46 2HH1 ARG 46 5.522 2.308 11.478 306 H ILE 47 H ILE 47 9.511 5.949 6.218 307 HA ILE 47 HA ILE 47 12.316 5.007 5.888 308 HB ILE 47 HB ILE 47 11.187 7.566 5.764 309 HG12 ILE 47 2HG1 ILE 47 14.087 7.306 6.393 310 HG13 ILE 47 1HG1 ILE 47 13.478 6.384 5.017 311 HG21 ILE 47 1HG2 ILE 47 12.673 7.186 8.379 312 HG22 ILE 47 2HG2 ILE 47 11.030 7.791 8.165 313 HG23 ILE 47 3HG2 ILE 47 12.403 8.758 7.626 314 HD11 ILE 47 3HD1 ILE 47 14.073 8.455 4.062 315 HD12 ILE 47 1HD1 ILE 47 13.453 9.369 5.437 316 HD13 ILE 47 2HD1 ILE 47 12.333 8.604 4.309 317 H ALA 48 H ALA 48 13.503 4.352 7.693 318 HA ALA 48 HA ALA 48 11.900 3.928 10.163 319 HB1 ALA 48 1HB ALA 48 13.509 2.214 10.728 320 HB2 ALA 48 2HB ALA 48 14.591 2.738 9.439 321 HB3 ALA 48 3HB ALA 48 13.049 1.981 9.041 322 H ARG 49 H ARG 49 12.477 4.885 12.089 323 HA ARG 49 HA ARG 49 14.659 6.892 11.971 324 HB2 ARG 49 2HB ARG 49 12.177 6.530 13.550 325 HB3 ARG 49 1HB ARG 49 13.545 7.204 14.436 326 HG2 ARG 49 2HG ARG 49 13.626 8.581 12.035 327 HG3 ARG 49 1HG ARG 49 11.896 8.432 12.349 328 HD2 ARG 49 2HD ARG 49 13.865 9.375 14.443 329 HD3 ARG 49 1HD ARG 49 13.012 10.480 13.366 330 HE ARG 49 HE ARG 49 11.809 8.942 15.572 331 HH11 ARG 49 1HH1 ARG 49 11.202 10.281 12.481 332 HH12 ARG 49 2HH1 ARG 49 9.669 10.960 12.916 333 HH21 ARG 49 1HH2 ARG 49 9.917 10.053 16.254 334 HH22 ARG 49 2HH2 ARG 49 8.942 10.830 15.052 335 H GLY 50 H GLY 50 16.603 6.462 12.911 336 HA2 GLY 50 2HA GLY 50 17.447 5.561 15.245 337 HA3 GLY 50 1HA GLY 50 16.800 4.041 14.630 338 H ASP 51 H ASP 51 18.140 2.815 13.392 339 HA ASP 51 HA ASP 51 20.155 3.979 11.650 340 HB2 ASP 51 2HB ASP 51 22.120 3.108 12.789 341 HB3 ASP 51 1HB ASP 51 21.245 4.169 13.892 342 H TRP 52 H TRP 52 18.074 2.304 11.068 343 HA TRP 52 HA TRP 52 19.485 -0.251 10.443 344 HB2 TRP 52 2HB TRP 52 16.915 -1.090 10.563 345 HB3 TRP 52 1HB TRP 52 18.004 -1.159 11.946 346 HD1 TRP 52 HD TRP 52 15.724 1.551 10.372 347 HE1 TRP 52 1HE TRP 52 14.487 2.765 12.279 348 HE3 TRP 52 3HE TRP 52 17.682 -0.908 14.396 349 HZ2 TRP 52 2HZ TRP 52 14.350 2.702 15.137 350 HZ3 TRP 52 3HZ TRP 52 16.986 -0.300 16.696 351 HH2 TRP 52 HH TRP 52 15.326 1.498 17.071 352 H ASN 53 H ASN 53 17.507 -1.367 8.824 353 HA ASN 53 HA ASN 53 17.777 0.289 6.437 354 HB2 ASN 53 2HB ASN 53 16.681 -2.428 7.059 355 HB3 ASN 53 1HB ASN 53 16.184 -1.646 5.557 356 HD21 ASN 53 1HD2 ASN 53 18.298 -3.895 6.450 357 HD22 ASN 53 2HD2 ASN 53 19.635 -3.508 5.479 358 H ASP 54 H ASP 54 16.057 1.275 5.274 359 HA ASP 54 HA ASP 54 13.898 2.307 6.912 360 HB2 ASP 54 2HB ASP 54 14.017 2.437 3.895 361 HB3 ASP 54 1HB ASP 54 13.306 3.601 5.014 362 H ASP 55 H ASP 55 11.993 2.071 4.483 363 HA ASP 55 HA ASP 55 11.132 -0.741 5.051 364 HB2 ASP 55 2HB ASP 55 9.453 1.752 4.659 365 HB3 ASP 55 1HB ASP 55 8.787 0.118 4.677 366 H ARG 56 H ARG 56 11.387 -1.942 3.250 367 HA ARG 56 HA ARG 56 11.347 -0.625 0.595 368 HB2 ARG 56 2HB ARG 56 11.924 -3.519 1.294 369 HB3 ARG 56 1HB ARG 56 12.270 -2.709 -0.231 370 HG2 ARG 56 2HG ARG 56 13.398 -1.344 2.119 371 HG3 ARG 56 1HG ARG 56 14.056 -2.958 1.843 372 HD2 ARG 56 2HD ARG 56 14.251 -2.173 -0.646 373 HD3 ARG 56 1HD ARG 56 14.141 -0.553 0.040 374 HE ARG 56 HE ARG 56 16.171 -2.382 1.188 375 HH11 ARG 56 1HH1 ARG 56 16.048 0.644 1.544 376 HH12 ARG 56 2HH1 ARG 56 17.319 1.156 0.485 377 HH21 ARG 56 1HH2 ARG 56 17.504 -1.874 -1.192 378 HH22 ARG 56 2HH2 ARG 56 18.143 -0.270 -1.065 379 H CYS 57 H CYS 57 9.614 -0.738 -0.726 380 HA CYS 57 HA CYS 57 7.120 -1.860 0.073 381 HB2 CYS 57 2HB CYS 57 8.105 -0.328 -2.114 382 HB3 CYS 57 1HB CYS 57 7.292 -1.734 -2.792 383 H THR 58 H THR 58 6.088 -3.774 -0.632 384 HA THR 58 HA THR 58 7.881 -6.017 -1.131 385 HB THR 58 HB THR 58 5.356 -7.035 -1.396 386 HG1 THR 58 1HG THR 58 5.021 -5.165 0.630 387 HG21 THR 58 3HG2 THR 58 7.183 -6.526 0.920 388 HG22 THR 58 1HG2 THR 58 6.716 -8.058 0.179 389 HG23 THR 58 2HG2 THR 58 5.587 -7.207 1.234 390 H GLY 59 H GLY 59 6.040 -3.856 -3.075 391 HA2 GLY 59 2HA GLY 59 5.978 -3.721 -5.436 392 HA3 GLY 59 1HA GLY 59 6.942 -5.197 -5.505 393 H GLN 60 H GLN 60 4.244 -5.535 -3.481 394 HA GLN 60 HA GLN 60 2.489 -6.485 -5.676 395 HB2 GLN 60 2HB GLN 60 2.157 -8.646 -4.330 396 HB3 GLN 60 1HB GLN 60 3.673 -8.495 -5.219 397 HG2 GLN 60 2HG GLN 60 4.638 -7.494 -3.051 398 HG3 GLN 60 1HG GLN 60 3.201 -8.144 -2.259 399 HE21 GLN 60 1HE2 GLN 60 3.242 -10.434 -4.345 400 HE22 GLN 60 2HE2 GLN 60 4.431 -11.493 -3.754 401 H SER 61 H SER 61 2.935 -5.783 -2.234 402 HA SER 61 HA SER 61 0.017 -5.852 -1.780 403 HB2 SER 61 2HB SER 61 1.469 -4.699 0.414 404 HB3 SER 61 1HB SER 61 0.634 -6.249 0.344 405 HG SER 61 HG SER 61 2.692 -6.831 0.629 406 H ALA 62 H ALA 62 -1.235 -3.990 -1.350 407 HA ALA 62 HA ALA 62 -0.391 -1.565 -2.660 408 HB1 ALA 62 1HB ALA 62 -2.495 -0.737 -1.168 409 HB2 ALA 62 2HB ALA 62 -2.779 -2.478 -1.152 410 HB3 ALA 62 3HB ALA 62 -2.674 -1.616 -2.685 411 H ASP 63 H ASP 63 -0.810 -2.421 0.784 412 HA ASP 63 HA ASP 63 0.252 0.163 1.647 413 HB2 ASP 63 2HB ASP 63 -0.093 -2.350 3.307 414 HB3 ASP 63 1HB ASP 63 -0.001 -0.686 3.887 415 H CYS 64 H CYS 64 2.047 -0.496 3.647 416 HA CYS 64 HA CYS 64 4.211 -1.906 2.149 417 HB2 CYS 64 2HB CYS 64 4.856 0.337 1.994 418 HB3 CYS 64 1HB CYS 64 4.274 0.733 3.603 419 HA PRO 65 HA PRO 65 4.521 -4.357 5.736 420 HB2 PRO 65 2HB PRO 65 6.862 -5.577 5.012 421 HB3 PRO 65 1HB PRO 65 5.298 -6.011 4.325 422 HG2 PRO 65 2HG PRO 65 7.550 -4.494 3.111 423 HG3 PRO 65 1HG PRO 65 6.274 -5.436 2.321 424 HD2 PRO 65 2HD PRO 65 6.365 -2.620 2.537 425 HD3 PRO 65 1HD PRO 65 4.961 -3.593 2.045 426 H ARG 66 H ARG 66 6.249 -4.836 7.462 427 HA ARG 66 HA ARG 66 8.270 -2.659 7.686 428 HB2 ARG 66 2HB ARG 66 7.572 -2.562 10.181 429 HB3 ARG 66 1HB ARG 66 6.534 -1.747 9.009 430 HG2 ARG 66 2HG ARG 66 5.020 -3.653 8.956 431 HG3 ARG 66 1HG ARG 66 6.089 -4.571 10.015 432 HD2 ARG 66 2HD ARG 66 4.930 -3.729 11.754 433 HD3 ARG 66 1HD ARG 66 5.651 -2.165 11.376 434 HE ARG 66 HE ARG 66 3.630 -1.785 9.888 435 HH11 ARG 66 1HH1 ARG 66 2.646 -4.661 10.302 436 HH12 ARG 66 2HH1 ARG 66 1.358 -4.404 11.432 437 HH21 ARG 66 1HH2 ARG 66 2.378 -1.198 12.270 438 HH22 ARG 66 2HH2 ARG 66 1.206 -2.443 12.545 439 H ASN 67 H ASN 67 9.904 -3.175 9.393 440 HA ASN 67 HA ASN 67 10.686 -5.972 9.230 441 HB2 ASN 67 2HB ASN 67 11.909 -3.916 11.074 442 HB3 ASN 67 1HB ASN 67 12.690 -5.294 10.299 443 HD21 ASN 67 1HD2 ASN 67 13.599 -2.522 10.041 444 HD22 ASN 67 2HD2 ASN 67 13.454 -2.102 8.403 445 HA PRO 68 HA PRO 68 8.974 -7.370 13.037 446 HB2 PRO 68 2HB PRO 68 10.855 -9.232 13.765 447 HB3 PRO 68 1HB PRO 68 9.714 -9.474 12.433 448 HG2 PRO 68 2HG PRO 68 12.626 -8.870 12.317 449 HG3 PRO 68 1HG PRO 68 11.603 -9.694 11.129 450 HD2 PRO 68 2HD PRO 68 12.485 -6.997 11.000 451 HD3 PRO 68 1HD PRO 68 11.248 -7.747 9.970 452 H TRP 69 H TRP 69 10.479 -4.930 13.372 453 HA TRP 69 HA TRP 69 11.659 -5.431 16.063 454 HB2 TRP 69 2HB TRP 69 12.686 -3.495 13.960 455 HB3 TRP 69 1HB TRP 69 13.346 -3.691 15.583 456 HD1 TRP 69 HD TRP 69 14.162 -4.674 12.273 457 HE1 TRP 69 1HE TRP 69 15.467 -6.895 12.187 458 HE3 TRP 69 3HE TRP 69 13.175 -6.441 16.947 459 HZ2 TRP 69 2HZ TRP 69 16.017 -9.133 13.887 460 HZ3 TRP 69 3HZ TRP 69 14.097 -8.619 17.695 461 HH2 TRP 69 HH TRP 69 15.514 -9.967 16.170 462 H ASN 70 H ASN 70 11.564 -2.250 14.638 463 HA ASN 70 HA ASN 70 10.133 -1.068 16.754 464 HB2 ASN 70 2HB ASN 70 9.682 0.797 15.137 465 HB3 ASN 70 1HB ASN 70 11.373 0.292 15.158 466 HD21 ASN 70 1HD2 ASN 70 10.199 1.593 12.868 467 HD22 ASN 70 2HD2 ASN 70 10.170 0.477 11.589 468 H GLY 71 H GLY 71 8.157 -1.889 17.373 469 HA2 GLY 71 2HA GLY 71 5.838 -1.412 15.761 470 HA3 GLY 71 1HA GLY 71 6.248 -3.127 15.699 Start of MODEL 15 1 H GLY 1 1HT GLY 1 -11.966 -13.159 2.207 2 HA2 GLY 1 1HA GLY 1 -12.651 -11.834 -0.187 3 HA3 GLY 1 2HA GLY 1 -13.577 -11.962 1.308 4 H LYS 2 H LYS 2 -12.975 -9.634 -0.586 5 HA LYS 2 HA LYS 2 -11.975 -7.766 1.527 6 HB2 LYS 2 2HB LYS 2 -11.614 -7.508 -1.475 7 HB3 LYS 2 1HB LYS 2 -11.028 -6.373 -0.260 8 HG2 LYS 2 2HG LYS 2 -9.114 -7.612 -0.432 9 HG3 LYS 2 1HG LYS 2 -9.957 -8.668 0.701 10 HD2 LYS 2 2HD LYS 2 -9.409 -10.211 -0.936 11 HD3 LYS 2 1HD LYS 2 -10.977 -9.676 -1.541 12 HE2 LYS 2 2HE LYS 2 -9.466 -9.592 -3.403 13 HE3 LYS 2 1HE LYS 2 -9.730 -7.923 -2.895 14 HZ1 LYS 2 3HZ LYS 2 -7.561 -7.730 -2.599 15 HZ2 LYS 2 1HZ LYS 2 -7.316 -9.356 -3.014 16 HZ3 LYS 2 2HZ LYS 2 -7.612 -8.929 -1.396 17 H GLU 3 H GLU 3 -13.307 -6.044 1.959 18 HA GLU 3 HA GLU 3 -15.673 -5.687 0.166 19 HB2 GLU 3 2HB GLU 3 -15.546 -5.119 3.140 20 HB3 GLU 3 1HB GLU 3 -16.981 -5.087 2.115 21 HG2 GLU 3 2HG GLU 3 -15.388 -7.609 2.161 22 HG3 GLU 3 1HG GLU 3 -16.354 -7.232 3.590 23 H CYS 4 H CYS 4 -13.143 -4.164 2.018 24 HA CYS 4 HA CYS 4 -13.883 -1.568 0.738 25 HB2 CYS 4 2HB CYS 4 -13.479 -2.210 3.553 26 HB3 CYS 4 1HB CYS 4 -12.369 -0.949 3.015 27 H ASP 5 H ASP 5 -12.398 -1.718 -0.950 28 HA ASP 5 HA ASP 5 -9.663 -2.606 -0.537 29 HB2 ASP 5 2HB ASP 5 -11.026 -2.679 -2.726 30 HB3 ASP 5 1HB ASP 5 -10.642 -0.964 -2.877 31 H CYS 6 H CYS 6 -11.311 0.303 0.073 32 HA CYS 6 HA CYS 6 -8.764 1.630 0.714 33 HB2 CYS 6 2HB CYS 6 -9.116 3.571 -0.648 34 HB3 CYS 6 1HB CYS 6 -9.297 2.179 -1.714 35 H SER 7 H SER 7 -9.319 3.883 1.726 36 HA SER 7 HA SER 7 -11.822 3.546 3.330 37 HB2 SER 7 2HB SER 7 -9.486 5.207 4.232 38 HB3 SER 7 1HB SER 7 -10.722 4.415 5.205 39 HG SER 7 HG SER 7 -8.334 3.487 4.385 40 H SER 8 H SER 8 -10.388 5.413 0.933 41 HA SER 8 HA SER 8 -11.740 7.909 1.792 42 HB2 SER 8 2HB SER 8 -9.357 7.388 0.399 43 HB3 SER 8 1HB SER 8 -10.461 8.047 -0.804 44 HG SER 8 HG SER 8 -9.602 9.171 1.646 45 HA PRO 9 HA PRO 9 -15.091 6.714 -0.909 46 HB2 PRO 9 2HB PRO 9 -16.674 8.883 -0.316 47 HB3 PRO 9 1HB PRO 9 -16.529 7.462 0.733 48 HG2 PRO 9 2HG PRO 9 -15.357 10.180 1.087 49 HG3 PRO 9 1HG PRO 9 -15.777 8.971 2.311 50 HD2 PRO 9 2HD PRO 9 -13.171 9.521 1.351 51 HD3 PRO 9 1HD PRO 9 -13.654 8.112 2.320 52 H GLU 10 H GLU 10 -13.095 9.502 -1.087 53 HA GLU 10 HA GLU 10 -14.359 10.390 -3.634 54 HB2 GLU 10 2HB GLU 10 -13.377 11.856 -1.520 55 HB3 GLU 10 1HB GLU 10 -12.023 11.887 -2.650 56 HG2 GLU 10 2HG GLU 10 -13.150 13.158 -4.168 57 HG3 GLU 10 1HG GLU 10 -14.679 12.328 -3.873 58 H ASN 11 H ASN 11 -11.988 8.296 -2.606 59 HA ASN 11 HA ASN 11 -9.892 8.893 -4.500 60 HB2 ASN 11 2HB ASN 11 -9.620 7.499 -2.420 61 HB3 ASN 11 1HB ASN 11 -10.536 6.223 -3.222 62 HD21 ASN 11 1HD2 ASN 11 -7.592 6.344 -2.399 63 HD22 ASN 11 2HD2 ASN 11 -6.742 5.975 -3.820 64 HA PRO 12 HA PRO 12 -12.084 7.235 -8.008 65 HB2 PRO 12 2HB PRO 12 -10.052 7.656 -9.813 66 HB3 PRO 12 1HB PRO 12 -11.139 8.936 -9.245 67 HG2 PRO 12 2HG PRO 12 -8.292 8.430 -8.513 68 HG3 PRO 12 1HG PRO 12 -9.199 9.951 -8.506 69 HD2 PRO 12 2HD PRO 12 -8.587 8.382 -6.235 70 HD3 PRO 12 1HD PRO 12 -9.765 9.709 -6.299 71 H CYS 13 H CYS 13 -9.025 6.131 -6.762 72 HA CYS 13 HA CYS 13 -8.607 3.927 -8.563 73 HB2 CYS 13 2HB CYS 13 -7.743 4.212 -5.669 74 HB3 CYS 13 1HB CYS 13 -7.063 3.093 -6.849 75 H CYS 14 H CYS 14 -10.772 4.431 -5.893 76 HA CYS 14 HA CYS 14 -11.646 1.585 -6.161 77 HB2 CYS 14 2HB CYS 14 -12.130 1.607 -3.700 78 HB3 CYS 14 1HB CYS 14 -10.412 1.726 -4.077 79 H ASP 15 H ASP 15 -13.819 1.298 -6.280 80 HA ASP 15 HA ASP 15 -15.550 3.502 -6.849 81 HB2 ASP 15 2HB ASP 15 -15.710 0.889 -7.364 82 HB3 ASP 15 1HB ASP 15 -16.652 0.898 -5.876 83 H ALA 16 H ALA 16 -16.788 4.734 -5.476 84 HA ALA 16 HA ALA 16 -16.415 4.416 -2.598 85 HB1 ALA 16 1HB ALA 16 -17.559 6.434 -4.421 86 HB2 ALA 16 2HB ALA 16 -16.657 6.654 -2.923 87 HB3 ALA 16 3HB ALA 16 -18.384 6.304 -2.868 88 H ALA 17 H ALA 17 -18.730 3.376 -4.944 89 HA ALA 17 HA ALA 17 -21.001 3.118 -3.182 90 HB1 ALA 17 1HB ALA 17 -20.411 2.578 -5.924 91 HB2 ALA 17 2HB ALA 17 -21.989 2.601 -5.137 92 HB3 ALA 17 3HB ALA 17 -21.064 1.102 -5.213 93 H THR 18 H THR 18 -18.529 0.782 -4.297 94 HA THR 18 HA THR 18 -19.448 -1.068 -2.150 95 HB THR 18 HB THR 18 -19.341 -2.128 -4.317 96 HG1 THR 18 1HG THR 18 -18.544 -3.685 -3.169 97 HG21 THR 18 3HG2 THR 18 -17.182 -2.175 -5.582 98 HG22 THR 18 1HG2 THR 18 -16.532 -1.004 -4.435 99 HG23 THR 18 2HG2 THR 18 -17.889 -0.563 -5.470 100 H CYS 19 H CYS 19 -17.165 1.314 -2.619 101 HA CYS 19 HA CYS 19 -15.235 1.892 -1.409 102 HB2 CYS 19 2HB CYS 19 -16.624 1.306 0.541 103 HB3 CYS 19 1HB CYS 19 -16.183 -0.389 0.358 104 H LYS 20 H LYS 20 -15.135 -0.106 -3.592 105 HA LYS 20 HA LYS 20 -12.607 -1.461 -2.751 106 HB2 LYS 20 2HB LYS 20 -15.013 -2.600 -4.122 107 HB3 LYS 20 1HB LYS 20 -13.420 -3.255 -4.505 108 HG2 LYS 20 2HG LYS 20 -13.536 -2.996 -1.686 109 HG3 LYS 20 1HG LYS 20 -15.059 -3.734 -2.185 110 HD2 LYS 20 2HD LYS 20 -12.538 -4.755 -3.426 111 HD3 LYS 20 1HD LYS 20 -12.885 -5.217 -1.760 112 HE2 LYS 20 2HE LYS 20 -15.149 -5.987 -2.491 113 HE3 LYS 20 1HE LYS 20 -14.693 -5.635 -4.158 114 HZ1 LYS 20 3HZ LYS 20 -12.642 -7.118 -3.472 115 HZ2 LYS 20 1HZ LYS 20 -14.081 -7.800 -4.057 116 HZ3 LYS 20 2HZ LYS 20 -13.775 -7.767 -2.386 117 H LEU 21 H LEU 21 -11.851 -2.502 -5.207 118 HA LEU 21 HA LEU 21 -10.908 -0.132 -6.554 119 HB2 LEU 21 2HB LEU 21 -10.748 -3.082 -7.082 120 HB3 LEU 21 1HB LEU 21 -10.273 -1.950 -8.349 121 HG LEU 21 HG LEU 21 -9.135 -1.041 -5.893 122 HD11 LEU 21 1HD1 LEU 21 -9.467 -3.439 -5.194 123 HD12 LEU 21 2HD1 LEU 21 -7.779 -2.928 -5.230 124 HD13 LEU 21 3HD1 LEU 21 -8.429 -3.916 -6.539 125 HD21 LEU 21 3HD2 LEU 21 -8.446 -1.074 -8.493 126 HD22 LEU 21 1HD2 LEU 21 -7.490 -2.451 -7.942 127 HD23 LEU 21 2HD2 LEU 21 -7.254 -0.864 -7.210 128 H ARG 22 H ARG 22 -12.009 1.076 -8.011 129 HA ARG 22 HA ARG 22 -14.510 0.001 -9.135 130 HB2 ARG 22 2HB ARG 22 -14.977 2.155 -8.530 131 HB3 ARG 22 1HB ARG 22 -13.323 2.701 -8.760 132 HG2 ARG 22 2HG ARG 22 -13.620 2.911 -11.121 133 HG3 ARG 22 1HG ARG 22 -15.119 1.984 -11.087 134 HD2 ARG 22 2HD ARG 22 -16.303 3.745 -9.997 135 HD3 ARG 22 1HD ARG 22 -14.811 4.604 -9.610 136 HE ARG 22 HE ARG 22 -14.858 4.444 -12.400 137 HH11 ARG 22 1HH2 ARG 22 -16.229 6.132 -9.778 138 HH12 ARG 22 2HH2 ARG 22 -17.177 7.197 -10.762 139 HH21 ARG 22 1HH1 ARG 22 -16.358 5.610 -13.733 140 HH22 ARG 22 2HH1 ARG 22 -17.249 6.902 -13.001 141 HA PRO 23 HA PRO 23 -12.234 0.823 -13.233 142 HB2 PRO 23 2HB PRO 23 -9.666 1.795 -13.142 143 HB3 PRO 23 1HB PRO 23 -11.103 2.831 -13.204 144 HG2 PRO 23 2HG PRO 23 -9.317 2.232 -10.888 145 HG3 PRO 23 1HG PRO 23 -10.303 3.670 -11.204 146 HD2 PRO 23 2HD PRO 23 -10.965 1.588 -9.422 147 HD3 PRO 23 1HD PRO 23 -12.077 2.829 -10.035 148 H GLY 24 H GLY 24 -9.738 0.096 -14.185 149 HA2 GLY 24 2HA GLY 24 -9.470 -2.641 -13.081 150 HA3 GLY 24 1HA GLY 24 -8.814 -2.081 -14.621 151 H ALA 25 H ALA 25 -8.438 -1.507 -11.107 152 HA ALA 25 HA ALA 25 -5.514 -1.127 -11.623 153 HB1 ALA 25 1HB ALA 25 -7.420 0.525 -10.217 154 HB2 ALA 25 2HB ALA 25 -5.720 0.846 -10.558 155 HB3 ALA 25 3HB ALA 25 -6.175 -0.032 -9.099 156 H GLN 26 H GLN 26 -4.295 -1.554 -9.382 157 HA GLN 26 HA GLN 26 -5.147 -4.273 -8.554 158 HB2 GLN 26 2HB GLN 26 -2.630 -3.019 -9.035 159 HB3 GLN 26 1HB GLN 26 -2.684 -3.469 -7.330 160 HG2 GLN 26 2HG GLN 26 -2.083 -5.533 -8.056 161 HG3 GLN 26 1HG GLN 26 -3.775 -5.687 -8.534 162 HE21 GLN 26 1HE2 GLN 26 -3.420 -6.914 -10.470 163 HE22 GLN 26 2HE2 GLN 26 -2.588 -6.291 -11.812 164 H CYS 27 H CYS 27 -4.209 -1.145 -7.097 165 HA CYS 27 HA CYS 27 -5.781 -1.962 -4.694 166 HB2 CYS 27 2HB CYS 27 -3.791 -2.033 -3.599 167 HB3 CYS 27 1HB CYS 27 -2.946 -1.159 -4.867 168 H GLY 28 H GLY 28 -6.582 -0.076 -3.452 169 HA2 GLY 28 2HA GLY 28 -7.288 2.149 -5.287 170 HA3 GLY 28 1HA GLY 28 -8.156 1.736 -3.813 171 H GLU 29 H GLU 29 -5.874 1.467 -2.139 172 HA GLU 29 HA GLU 29 -4.489 4.067 -2.293 173 HB2 GLU 29 2HB GLU 29 -5.185 4.679 -0.027 174 HB3 GLU 29 1HB GLU 29 -6.581 4.531 -1.079 175 HG2 GLU 29 2HG GLU 29 -7.454 3.020 0.333 176 HG3 GLU 29 1HG GLU 29 -6.092 1.954 -0.009 177 H GLY 30 H GLY 30 -2.540 4.079 -1.066 178 HA2 GLY 30 2HA GLY 30 -1.652 2.426 0.940 179 HA3 GLY 30 1HA GLY 30 -1.464 1.418 -0.496 180 H LEU 31 H LEU 31 0.771 2.272 1.028 181 HA LEU 31 HA LEU 31 1.981 4.634 -0.130 182 HB2 LEU 31 2HB LEU 31 2.998 2.328 1.528 183 HB3 LEU 31 1HB LEU 31 4.117 3.505 0.841 184 HG LEU 31 HG LEU 31 1.717 4.524 2.304 185 HD11 LEU 31 1HD1 LEU 31 2.988 4.409 4.436 186 HD12 LEU 31 2HD1 LEU 31 4.232 3.458 3.625 187 HD13 LEU 31 3HD1 LEU 31 2.605 2.804 3.813 188 HD21 LEU 31 3HD2 LEU 31 4.159 5.536 1.199 189 HD22 LEU 31 1HD2 LEU 31 4.185 5.808 2.942 190 HD23 LEU 31 2HD2 LEU 31 2.854 6.438 1.970 191 H CYS 32 H CYS 32 1.675 1.322 -1.087 192 HA CYS 32 HA CYS 32 3.748 1.708 -3.199 193 HB2 CYS 32 2HB CYS 32 3.266 -0.441 -1.498 194 HB3 CYS 32 1HB CYS 32 2.550 -0.951 -3.028 195 H CYS 33 H CYS 33 0.742 2.552 -2.979 196 HA CYS 33 HA CYS 33 -0.268 1.165 -5.402 197 HB2 CYS 33 2HB CYS 33 -1.660 3.140 -3.566 198 HB3 CYS 33 1HB CYS 33 -2.419 2.222 -4.867 199 H GLU 34 H GLU 34 0.958 2.150 -7.040 200 HA GLU 34 HA GLU 34 0.908 5.112 -7.231 201 HB2 GLU 34 2HB GLU 34 3.053 3.821 -7.580 202 HB3 GLU 34 1HB GLU 34 2.325 3.119 -9.024 203 HG2 GLU 34 2HG GLU 34 2.578 5.027 -10.230 204 HG3 GLU 34 1HG GLU 34 2.110 6.054 -8.873 205 H GLN 35 H GLN 35 -0.825 5.936 -8.300 206 HA GLN 35 HA GLN 35 -2.437 6.216 -9.983 207 HB2 GLN 35 2HB GLN 35 -0.317 5.479 -11.381 208 HB3 GLN 35 1HB GLN 35 -1.221 3.976 -11.570 209 HG2 GLN 35 2HG GLN 35 -2.709 4.923 -12.994 210 HG3 GLN 35 1HG GLN 35 -2.856 6.377 -12.005 211 HE21 GLN 35 1HE2 GLN 35 -2.307 5.910 -15.040 212 HE22 GLN 35 2HE2 GLN 35 -0.963 6.901 -15.348 213 H CYS 36 H CYS 36 -2.788 4.354 -7.777 214 HA CYS 36 HA CYS 36 -4.482 2.866 -7.112 215 HB2 CYS 36 2HB CYS 36 -5.358 2.585 -9.979 216 HB3 CYS 36 1HB CYS 36 -6.335 2.513 -8.509 217 H LYS 37 H LYS 37 -1.885 2.223 -8.991 218 HA LYS 37 HA LYS 37 -2.491 -0.704 -9.123 219 HB2 LYS 37 2HB LYS 37 -1.333 1.102 -11.039 220 HB3 LYS 37 1HB LYS 37 -0.136 -0.116 -10.595 221 HG2 LYS 37 2HG LYS 37 -2.595 -1.488 -10.867 222 HG3 LYS 37 1HG LYS 37 -2.474 -0.410 -12.258 223 HD2 LYS 37 2HD LYS 37 -0.011 -1.295 -12.396 224 HD3 LYS 37 1HD LYS 37 -0.628 -2.632 -11.426 225 HE2 LYS 37 2HE LYS 37 -2.362 -3.077 -13.106 226 HE3 LYS 37 1HE LYS 37 -1.796 -1.713 -14.070 227 HZ1 LYS 37 3HZ LYS 37 0.360 -3.427 -13.428 228 HZ2 LYS 37 1HZ LYS 37 -0.223 -2.972 -14.954 229 HZ3 LYS 37 2HZ LYS 37 -0.886 -4.321 -14.161 230 H PHE 38 H PHE 38 -0.374 -2.040 -8.884 231 HA PHE 38 HA PHE 38 0.821 -1.319 -6.320 232 HB2 PHE 38 2HB PHE 38 1.249 -3.623 -8.234 233 HB3 PHE 38 1HB PHE 38 2.152 -3.452 -6.733 234 HD1 PHE 38 1HD PHE 38 -0.687 -2.020 -5.664 235 HD2 PHE 38 2HD PHE 38 0.592 -5.855 -7.121 236 HE1 PHE 38 1HE PHE 38 -2.537 -3.109 -4.432 237 HE2 PHE 38 2HE PHE 38 -1.263 -6.940 -5.888 238 HZ PHE 38 HZ PHE 38 -2.828 -5.568 -4.542 239 H SER 39 H SER 39 2.675 -0.178 -6.064 240 HA SER 39 HA SER 39 4.150 0.843 -8.313 241 HB2 SER 39 2HB SER 39 5.347 0.713 -5.562 242 HB3 SER 39 1HB SER 39 5.421 2.012 -6.749 243 HG SER 39 HG SER 39 3.568 2.753 -6.050 244 H ARG 40 H ARG 40 6.775 0.159 -6.636 245 HA ARG 40 HA ARG 40 7.097 -2.605 -7.721 246 HB2 ARG 40 2HB ARG 40 8.667 -0.146 -8.338 247 HB3 ARG 40 1HB ARG 40 9.563 -1.655 -8.160 248 HG2 ARG 40 2HG ARG 40 8.942 -2.240 -10.240 249 HG3 ARG 40 1HG ARG 40 7.259 -2.244 -9.712 250 HD2 ARG 40 2HD ARG 40 6.984 -0.561 -11.207 251 HD3 ARG 40 1HD ARG 40 7.766 0.447 -9.989 252 HE ARG 40 HE ARG 40 8.867 0.084 -12.485 253 HH11 ARG 40 1HH2 ARG 40 9.991 0.788 -9.497 254 HH12 ARG 40 2HH2 ARG 40 11.574 0.113 -9.693 255 HH21 ARG 40 1HH1 ARG 40 10.805 -1.505 -12.662 256 HH22 ARG 40 2HH1 ARG 40 12.035 -1.187 -11.485 257 H ALA 41 H ALA 41 8.719 -3.863 -6.624 258 HA ALA 41 HA ALA 41 8.921 -3.311 -3.796 259 HB1 ALA 41 1HB ALA 41 9.137 -5.574 -5.345 260 HB2 ALA 41 2HB ALA 41 9.603 -5.478 -3.647 261 HB3 ALA 41 3HB ALA 41 10.818 -5.273 -4.908 262 H GLY 42 H GLY 42 11.142 -3.294 -2.681 263 HA2 GLY 42 2HA GLY 42 13.273 -2.306 -2.440 264 HA3 GLY 42 1HA GLY 42 13.426 -2.361 -4.196 265 H LYS 43 H LYS 43 10.664 -0.895 -2.624 266 HA LYS 43 HA LYS 43 11.734 1.766 -3.517 267 HB2 LYS 43 2HB LYS 43 9.944 1.637 -4.928 268 HB3 LYS 43 1HB LYS 43 9.128 0.425 -3.950 269 HG2 LYS 43 2HG LYS 43 7.764 2.400 -3.859 270 HG3 LYS 43 1HG LYS 43 8.574 2.307 -2.306 271 HD2 LYS 43 2HD LYS 43 9.616 4.273 -2.656 272 HD3 LYS 43 1HD LYS 43 10.216 3.730 -4.223 273 HE2 LYS 43 2HE LYS 43 7.622 4.127 -4.859 274 HE3 LYS 43 1HE LYS 43 7.792 5.323 -3.575 275 HZ1 LYS 43 3HZ LYS 43 10.055 5.439 -5.231 276 HZ2 LYS 43 1HZ LYS 43 8.880 6.634 -4.965 277 HZ3 LYS 43 2HZ LYS 43 8.671 5.502 -6.215 278 H ILE 44 H ILE 44 12.189 3.055 -1.804 279 HA ILE 44 HA ILE 44 11.418 2.496 0.872 280 HB ILE 44 HB ILE 44 12.589 4.822 -0.581 281 HG12 ILE 44 2HG1 ILE 44 13.944 3.083 0.537 282 HG13 ILE 44 1HG1 ILE 44 14.194 4.661 1.289 283 HG21 ILE 44 1HG2 ILE 44 10.870 6.028 0.629 284 HG22 ILE 44 2HG2 ILE 44 12.389 6.244 1.499 285 HG23 ILE 44 3HG2 ILE 44 11.186 5.100 2.096 286 HD11 ILE 44 3HD1 ILE 44 11.975 3.553 2.613 287 HD12 ILE 44 1HD1 ILE 44 13.607 3.739 3.257 288 HD13 ILE 44 2HD1 ILE 44 13.137 2.234 2.466 289 H CYS 45 H CYS 45 9.309 2.291 1.403 290 HA CYS 45 HA CYS 45 7.429 4.391 0.420 291 HB2 CYS 45 2HB CYS 45 5.691 2.511 0.942 292 HB3 CYS 45 1HB CYS 45 6.591 2.463 -0.568 293 H ARG 46 H ARG 46 8.938 3.078 3.128 294 HA ARG 46 HA ARG 46 7.419 4.871 4.836 295 HB2 ARG 46 2HB ARG 46 6.147 2.552 4.578 296 HB3 ARG 46 1HB ARG 46 7.310 2.050 5.803 297 HG2 ARG 46 2HG ARG 46 6.542 3.647 7.362 298 HG3 ARG 46 1HG ARG 46 5.726 4.595 6.118 299 HD2 ARG 46 2HD ARG 46 4.059 2.859 5.808 300 HD3 ARG 46 1HD ARG 46 4.920 1.782 6.908 301 HE ARG 46 HE ARG 46 4.360 4.135 8.359 302 HH11 ARG 46 1HH1 ARG 46 2.239 2.546 6.283 303 HH12 ARG 46 2HH1 ARG 46 1.049 2.194 7.492 304 HH21 ARG 46 1HH2 ARG 46 3.021 3.280 10.128 305 HH22 ARG 46 2HH2 ARG 46 1.491 2.611 9.669 306 H ILE 47 H ILE 47 8.181 4.583 7.205 307 HA ILE 47 HA ILE 47 11.082 3.860 7.169 308 HB ILE 47 HB ILE 47 10.618 6.318 7.322 309 HG12 ILE 47 2HG1 ILE 47 11.661 5.515 10.008 310 HG13 ILE 47 1HG1 ILE 47 12.514 4.926 8.580 311 HG21 ILE 47 1HG2 ILE 47 9.513 7.232 9.243 312 HG22 ILE 47 2HG2 ILE 47 9.462 5.660 10.041 313 HG23 ILE 47 3HG2 ILE 47 8.459 5.961 8.622 314 HD11 ILE 47 3HD1 ILE 47 12.056 7.773 9.455 315 HD12 ILE 47 1HD1 ILE 47 12.408 7.393 7.769 316 HD13 ILE 47 2HD1 ILE 47 13.573 6.982 9.028 317 H ALA 48 H ALA 48 11.715 2.415 8.728 318 HA ALA 48 HA ALA 48 9.794 1.009 10.301 319 HB1 ALA 48 1HB ALA 48 12.168 0.272 9.585 320 HB2 ALA 48 2HB ALA 48 11.627 -0.194 11.197 321 HB3 ALA 48 3HB ALA 48 12.727 1.170 10.997 322 H ARG 49 H ARG 49 9.097 1.303 12.406 323 HA ARG 49 HA ARG 49 9.769 3.886 13.665 324 HB2 ARG 49 2HB ARG 49 7.563 1.961 13.803 325 HB3 ARG 49 1HB ARG 49 8.059 2.546 15.391 326 HG2 ARG 49 2HG ARG 49 8.048 4.791 13.647 327 HG3 ARG 49 1HG ARG 49 6.536 3.922 13.381 328 HD2 ARG 49 2HD ARG 49 5.781 4.295 15.520 329 HD3 ARG 49 1HD ARG 49 7.405 4.277 16.209 330 HE ARG 49 HE ARG 49 6.781 6.594 14.500 331 HH11 ARG 49 1HH1 ARG 49 8.829 6.302 16.798 332 HH12 ARG 49 2HH1 ARG 49 8.105 7.325 17.994 333 HH21 ARG 49 1HH2 ARG 49 5.025 7.448 16.403 334 HH22 ARG 49 2HH2 ARG 49 5.951 7.976 17.768 335 H GLY 50 H GLY 50 11.458 3.977 15.049 336 HA2 GLY 50 2HA GLY 50 11.983 2.833 17.386 337 HA3 GLY 50 1HA GLY 50 12.390 1.475 16.341 338 H ASP 51 H ASP 51 14.296 1.561 15.142 339 HA ASP 51 HA ASP 51 15.851 3.836 14.554 340 HB2 ASP 51 2HB ASP 51 15.856 3.344 17.313 341 HB3 ASP 51 1HB ASP 51 17.391 2.692 16.740 342 H TRP 52 H TRP 52 15.472 1.717 13.015 343 HA TRP 52 HA TRP 52 18.083 0.278 13.117 344 HB2 TRP 52 2HB TRP 52 16.347 -1.488 11.833 345 HB3 TRP 52 1HB TRP 52 16.983 -1.658 13.464 346 HD1 TRP 52 HD TRP 52 13.963 -0.073 11.647 347 HE1 TRP 52 1HE TRP 52 11.955 -0.099 13.262 348 HE3 TRP 52 3HE TRP 52 16.224 -1.927 15.827 349 HZ2 TRP 52 2HZ TRP 52 11.384 -0.815 15.974 350 HZ3 TRP 52 3HZ TRP 52 14.931 -2.272 17.911 351 HH2 TRP 52 HH TRP 52 12.515 -1.717 17.991 352 H ASN 53 H ASN 53 15.567 -0.229 10.734 353 HA ASN 53 HA ASN 53 17.216 1.309 8.773 354 HB2 ASN 53 2HB ASN 53 15.748 -1.266 8.156 355 HB3 ASN 53 1HB ASN 53 16.898 -0.412 7.127 356 HD21 ASN 53 1HD2 ASN 53 19.160 -0.724 7.530 357 HD22 ASN 53 2HD2 ASN 53 19.747 -1.806 8.699 358 H ASP 54 H ASP 54 15.534 0.974 6.562 359 HA ASP 54 HA ASP 54 13.115 2.478 7.466 360 HB2 ASP 54 2HB ASP 54 14.650 2.496 4.857 361 HB3 ASP 54 1HB ASP 54 13.078 3.270 5.052 362 H ASP 55 H ASP 55 11.439 2.236 5.372 363 HA ASP 55 HA ASP 55 10.875 -0.689 5.332 364 HB2 ASP 55 2HB ASP 55 9.056 1.664 4.735 365 HB3 ASP 55 1HB ASP 55 8.566 -0.031 4.757 366 H ARG 56 H ARG 56 10.558 -1.766 3.372 367 HA ARG 56 HA ARG 56 11.284 -0.212 0.922 368 HB2 ARG 56 2HB ARG 56 12.933 -1.957 1.828 369 HB3 ARG 56 1HB ARG 56 11.747 -3.166 1.334 370 HG2 ARG 56 2HG ARG 56 12.357 -2.978 -0.818 371 HG3 ARG 56 1HG ARG 56 12.174 -1.224 -0.770 372 HD2 ARG 56 2HD ARG 56 14.461 -1.470 -1.210 373 HD3 ARG 56 1HD ARG 56 14.433 -1.278 0.543 374 HE ARG 56 HE ARG 56 15.190 -3.693 -0.898 375 HH11 ARG 56 1HH1 ARG 56 16.439 -2.863 1.671 376 HH12 ARG 56 2HH1 ARG 56 15.754 -3.984 2.800 377 HH21 ARG 56 1HH2 ARG 56 13.170 -4.936 0.694 378 HH22 ARG 56 2HH2 ARG 56 13.905 -5.158 2.248 379 H CYS 57 H CYS 57 9.673 -0.093 -0.523 380 HA CYS 57 HA CYS 57 7.159 -1.340 -0.294 381 HB2 CYS 57 2HB CYS 57 8.517 0.281 -2.226 382 HB3 CYS 57 1HB CYS 57 7.724 -1.046 -3.070 383 H THR 58 H THR 58 6.307 -3.246 -1.143 384 HA THR 58 HA THR 58 8.285 -5.359 -1.695 385 HB THR 58 HB THR 58 5.671 -6.404 -1.867 386 HG1 THR 58 1HG THR 58 5.145 -5.528 0.393 387 HG21 THR 58 3HG2 THR 58 7.771 -7.355 -0.816 388 HG22 THR 58 1HG2 THR 58 6.300 -7.573 0.133 389 HG23 THR 58 2HG2 THR 58 7.454 -6.316 0.573 390 H GLY 59 H GLY 59 5.949 -3.411 -3.388 391 HA2 GLY 59 2HA GLY 59 5.738 -3.173 -5.739 392 HA3 GLY 59 1HA GLY 59 6.876 -4.505 -5.944 393 H GLN 60 H GLN 60 4.870 -5.818 -3.818 394 HA GLN 60 HA GLN 60 2.950 -6.757 -5.910 395 HB2 GLN 60 2HB GLN 60 4.372 -8.255 -3.703 396 HB3 GLN 60 1HB GLN 60 2.911 -8.890 -4.459 397 HG2 GLN 60 2HG GLN 60 4.338 -9.796 -5.977 398 HG3 GLN 60 1HG GLN 60 4.397 -8.167 -6.651 399 HE21 GLN 60 1HE2 GLN 60 6.310 -6.877 -6.245 400 HE22 GLN 60 2HE2 GLN 60 7.711 -7.540 -5.553 401 H SER 61 H SER 61 3.357 -5.299 -2.846 402 HA SER 61 HA SER 61 0.523 -5.899 -2.112 403 HB2 SER 61 2HB SER 61 2.902 -5.790 -0.576 404 HB3 SER 61 1HB SER 61 1.936 -4.397 -0.100 405 HG SER 61 HG SER 61 1.595 -6.713 0.820 406 H ALA 62 H ALA 62 -0.279 -3.792 -0.703 407 HA ALA 62 HA ALA 62 -0.033 -1.525 -2.631 408 HB1 ALA 62 1HB ALA 62 -2.289 -1.681 -2.559 409 HB2 ALA 62 2HB ALA 62 -2.159 -0.924 -0.974 410 HB3 ALA 62 3HB ALA 62 -2.260 -2.680 -1.106 411 H ASP 63 H ASP 63 -0.245 -2.220 0.873 412 HA ASP 63 HA ASP 63 0.588 0.501 1.547 413 HB2 ASP 63 2HB ASP 63 0.361 -1.990 3.267 414 HB3 ASP 63 1HB ASP 63 0.641 -0.356 3.872 415 H CYS 64 H CYS 64 2.519 0.280 3.443 416 HA CYS 64 HA CYS 64 4.780 -0.915 1.906 417 HB2 CYS 64 2HB CYS 64 4.860 1.545 2.156 418 HB3 CYS 64 1HB CYS 64 4.877 1.371 3.897 419 HA PRO 65 HA PRO 65 5.163 -3.670 5.303 420 HB2 PRO 65 2HB PRO 65 7.294 -5.010 4.228 421 HB3 PRO 65 1HB PRO 65 5.625 -5.299 3.736 422 HG2 PRO 65 2HG PRO 65 7.809 -3.895 2.292 423 HG3 PRO 65 1HG PRO 65 6.361 -4.687 1.646 424 HD2 PRO 65 2HD PRO 65 6.729 -1.901 1.983 425 HD3 PRO 65 1HD PRO 65 5.199 -2.725 1.619 426 H ARG 66 H ARG 66 6.410 -3.603 7.166 427 HA ARG 66 HA ARG 66 8.623 -1.661 7.254 428 HB2 ARG 66 2HB ARG 66 7.942 -3.316 9.640 429 HB3 ARG 66 1HB ARG 66 8.266 -1.586 9.528 430 HG2 ARG 66 2HG ARG 66 6.011 -1.503 8.209 431 HG3 ARG 66 1HG ARG 66 5.707 -3.066 8.968 432 HD2 ARG 66 2HD ARG 66 6.707 -0.956 10.787 433 HD3 ARG 66 1HD ARG 66 5.091 -0.684 10.132 434 HE ARG 66 HE ARG 66 5.463 -3.386 11.169 435 HH11 ARG 66 1HH2 ARG 66 3.396 -0.844 11.213 436 HH12 ARG 66 2HH2 ARG 66 3.037 -0.886 12.906 437 HH21 ARG 66 1HH1 ARG 66 5.569 -3.137 13.653 438 HH22 ARG 66 2HH1 ARG 66 4.268 -2.186 14.289 439 H ASN 67 H ASN 67 9.796 -3.401 9.545 440 HA ASN 67 HA ASN 67 11.346 -5.205 7.732 441 HB2 ASN 67 2HB ASN 67 12.157 -3.241 9.724 442 HB3 ASN 67 1HB ASN 67 12.837 -4.832 10.070 443 HD21 ASN 67 1HD2 ASN 67 14.997 -4.364 9.352 444 HD22 ASN 67 2HD2 ASN 67 15.368 -4.026 7.731 445 HA PRO 68 HA PRO 68 10.248 -8.598 10.307 446 HB2 PRO 68 2HB PRO 68 12.539 -10.106 10.175 447 HB3 PRO 68 1HB PRO 68 11.405 -9.934 8.824 448 HG2 PRO 68 2HG PRO 68 14.102 -8.721 9.170 449 HG3 PRO 68 1HG PRO 68 13.211 -9.067 7.679 450 HD2 PRO 68 2HD PRO 68 13.477 -6.527 8.934 451 HD3 PRO 68 1HD PRO 68 12.388 -6.932 7.590 452 H TRP 69 H TRP 69 11.233 -6.338 11.860 453 HA TRP 69 HA TRP 69 12.521 -7.839 14.092 454 HB2 TRP 69 2HB TRP 69 13.191 -4.995 13.268 455 HB3 TRP 69 1HB TRP 69 13.917 -5.897 14.599 456 HD1 TRP 69 HD TRP 69 14.773 -4.922 11.290 457 HE1 TRP 69 1HE TRP 69 16.412 -6.562 10.161 458 HE3 TRP 69 3HE TRP 69 14.259 -8.945 14.385 459 HZ2 TRP 69 2HZ TRP 69 17.372 -9.232 10.523 460 HZ3 TRP 69 3HZ TRP 69 15.542 -11.025 13.972 461 HH2 TRP 69 HH TRP 69 17.098 -11.174 12.046 462 H ASN 70 H ASN 70 9.711 -7.050 13.496 463 HA ASN 70 HA ASN 70 9.261 -5.283 15.869 464 HB2 ASN 70 2HB ASN 70 8.127 -5.244 13.147 465 HB3 ASN 70 1HB ASN 70 6.925 -5.136 14.432 466 HD21 ASN 70 1HD2 ASN 70 9.060 -3.275 12.578 467 HD22 ASN 70 2HD2 ASN 70 9.124 -1.901 13.575 468 H GLY 71 H GLY 71 9.008 -8.402 14.728 469 HA2 GLY 71 2HA GLY 71 7.234 -9.156 16.928 470 HA3 GLY 71 1HA GLY 71 6.542 -9.442 15.331 Start of MODEL 16 1 H GLY 1 1HT GLY 1 -15.881 -8.997 4.079 2 HA2 GLY 1 1HA GLY 1 -14.978 -7.331 6.040 3 HA3 GLY 1 2HA GLY 1 -13.837 -8.676 6.048 4 H LYS 2 H LYS 2 -13.705 -9.424 3.427 5 HA LYS 2 HA LYS 2 -12.132 -7.291 2.262 6 HB2 LYS 2 2HB LYS 2 -12.574 -10.102 1.798 7 HB3 LYS 2 1HB LYS 2 -12.711 -9.223 0.274 8 HG2 LYS 2 2HG LYS 2 -10.539 -8.034 0.947 9 HG3 LYS 2 1HG LYS 2 -10.374 -9.276 2.188 10 HD2 LYS 2 2HD LYS 2 -10.969 -10.190 -0.588 11 HD3 LYS 2 1HD LYS 2 -9.341 -9.592 -0.264 12 HE2 LYS 2 2HE LYS 2 -10.668 -11.623 1.534 13 HE3 LYS 2 1HE LYS 2 -9.751 -12.107 0.107 14 HZ1 LYS 2 3HZ LYS 2 -8.113 -10.322 1.301 15 HZ2 LYS 2 1HZ LYS 2 -7.994 -12.008 1.453 16 HZ3 LYS 2 2HZ LYS 2 -8.816 -11.107 2.635 17 H GLU 3 H GLU 3 -14.197 -5.826 2.437 18 HA GLU 3 HA GLU 3 -15.601 -5.959 -0.203 19 HB2 GLU 3 2HB GLU 3 -16.771 -6.135 2.365 20 HB3 GLU 3 1HB GLU 3 -17.129 -4.510 1.778 21 HG2 GLU 3 2HG GLU 3 -17.664 -7.095 0.285 22 HG3 GLU 3 1HG GLU 3 -18.879 -6.073 1.054 23 H CYS 4 H CYS 4 -13.504 -4.238 1.752 24 HA CYS 4 HA CYS 4 -14.038 -1.741 0.195 25 HB2 CYS 4 2HB CYS 4 -13.464 -2.021 3.158 26 HB3 CYS 4 1HB CYS 4 -13.252 -0.502 2.296 27 H ASP 5 H ASP 5 -12.326 -2.217 -1.218 28 HA ASP 5 HA ASP 5 -9.700 -3.024 -0.295 29 HB2 ASP 5 2HB ASP 5 -10.890 -3.187 -2.683 30 HB3 ASP 5 1HB ASP 5 -10.055 -1.652 -2.927 31 H CYS 6 H CYS 6 -11.294 -0.130 0.027 32 HA CYS 6 HA CYS 6 -8.700 1.319 0.248 33 HB2 CYS 6 2HB CYS 6 -9.859 3.358 -0.664 34 HB3 CYS 6 1HB CYS 6 -9.652 2.070 -1.849 35 H SER 7 H SER 7 -8.676 2.900 1.913 36 HA SER 7 HA SER 7 -10.711 2.463 3.993 37 HB2 SER 7 2HB SER 7 -9.171 3.348 5.476 38 HB3 SER 7 1HB SER 7 -8.073 2.786 4.219 39 HG SER 7 HG SER 7 -7.484 4.835 4.378 40 H SER 8 H SER 8 -10.245 4.613 1.406 41 HA SER 8 HA SER 8 -11.853 6.724 2.766 42 HB2 SER 8 2HB SER 8 -10.652 7.122 0.057 43 HB3 SER 8 1HB SER 8 -10.905 8.292 1.350 44 HG SER 8 HG SER 8 -9.130 7.566 2.368 45 HA PRO 9 HA PRO 9 -15.194 5.156 0.254 46 HB2 PRO 9 2HB PRO 9 -17.093 6.869 1.265 47 HB3 PRO 9 1HB PRO 9 -16.552 5.402 2.099 48 HG2 PRO 9 2HG PRO 9 -15.902 8.251 2.699 49 HG3 PRO 9 1HG PRO 9 -15.934 6.853 3.788 50 HD2 PRO 9 2HD PRO 9 -13.614 8.036 2.676 51 HD3 PRO 9 1HD PRO 9 -13.697 6.459 3.489 52 H GLU 10 H GLU 10 -13.838 8.317 0.262 53 HA GLU 10 HA GLU 10 -15.531 9.172 -2.034 54 HB2 GLU 10 2HB GLU 10 -14.586 11.392 -1.686 55 HB3 GLU 10 1HB GLU 10 -15.173 10.772 -0.142 56 HG2 GLU 10 2HG GLU 10 -13.110 10.866 0.754 57 HG3 GLU 10 1HG GLU 10 -12.431 9.948 -0.591 58 H ASN 11 H ASN 11 -13.082 7.213 -1.797 59 HA ASN 11 HA ASN 11 -11.087 8.433 -3.534 60 HB2 ASN 11 2HB ASN 11 -10.823 6.518 -1.769 61 HB3 ASN 11 1HB ASN 11 -11.379 5.475 -3.074 62 HD21 ASN 11 1HD2 ASN 11 -9.427 4.437 -3.661 63 HD22 ASN 11 2HD2 ASN 11 -8.035 5.265 -4.169 64 HA PRO 12 HA PRO 12 -13.270 7.427 -7.263 65 HB2 PRO 12 2HB PRO 12 -11.243 8.104 -8.991 66 HB3 PRO 12 1HB PRO 12 -12.275 9.294 -8.180 67 HG2 PRO 12 2HG PRO 12 -9.442 8.568 -7.606 68 HG3 PRO 12 1HG PRO 12 -10.297 10.088 -7.292 69 HD2 PRO 12 2HD PRO 12 -9.711 8.083 -5.382 70 HD3 PRO 12 1HD PRO 12 -10.825 9.448 -5.157 71 H CYS 13 H CYS 13 -9.905 6.313 -6.846 72 HA CYS 13 HA CYS 13 -9.805 4.352 -8.847 73 HB2 CYS 13 2HB CYS 13 -8.049 5.153 -7.020 74 HB3 CYS 13 1HB CYS 13 -8.632 3.721 -6.171 75 H CYS 14 H CYS 14 -11.004 4.004 -5.497 76 HA CYS 14 HA CYS 14 -12.048 1.319 -6.241 77 HB2 CYS 14 2HB CYS 14 -12.226 0.880 -3.888 78 HB3 CYS 14 1HB CYS 14 -10.660 1.652 -4.138 79 H ASP 15 H ASP 15 -14.226 0.927 -6.362 80 HA ASP 15 HA ASP 15 -16.094 3.024 -6.714 81 HB2 ASP 15 2HB ASP 15 -16.322 0.548 -7.372 82 HB3 ASP 15 1HB ASP 15 -16.819 0.271 -5.699 83 H ALA 16 H ALA 16 -17.365 4.157 -5.273 84 HA ALA 16 HA ALA 16 -16.691 4.064 -2.457 85 HB1 ALA 16 1HB ALA 16 -17.999 5.863 -4.206 86 HB2 ALA 16 2HB ALA 16 -17.617 6.116 -2.503 87 HB3 ALA 16 3HB ALA 16 -19.177 5.438 -2.964 88 H ALA 17 H ALA 17 -19.311 2.774 -4.437 89 HA ALA 17 HA ALA 17 -21.043 2.058 -2.248 90 HB1 ALA 17 1HB ALA 17 -22.404 1.223 -3.873 91 HB2 ALA 17 2HB ALA 17 -21.096 0.319 -4.636 92 HB3 ALA 17 3HB ALA 17 -21.293 2.039 -4.972 93 H THR 18 H THR 18 -18.560 0.260 -4.064 94 HA THR 18 HA THR 18 -18.740 -1.894 -2.006 95 HB THR 18 HB THR 18 -17.755 -3.370 -3.615 96 HG1 THR 18 1HG THR 18 -16.981 -2.540 -5.599 97 HG21 THR 18 3HG2 THR 18 -20.177 -2.611 -3.962 98 HG22 THR 18 1HG2 THR 18 -19.381 -3.347 -5.353 99 HG23 THR 18 2HG2 THR 18 -19.559 -1.595 -5.265 100 H CYS 19 H CYS 19 -17.168 0.856 -2.272 101 HA CYS 19 HA CYS 19 -14.953 1.621 -1.879 102 HB2 CYS 19 2HB CYS 19 -14.089 0.291 0.275 103 HB3 CYS 19 1HB CYS 19 -15.346 1.505 0.380 104 H LYS 20 H LYS 20 -15.037 -0.541 -3.829 105 HA LYS 20 HA LYS 20 -12.365 -1.753 -3.218 106 HB2 LYS 20 2HB LYS 20 -14.716 -3.009 -4.658 107 HB3 LYS 20 1HB LYS 20 -13.102 -3.718 -4.590 108 HG2 LYS 20 2HG LYS 20 -13.857 -3.003 -1.928 109 HG3 LYS 20 1HG LYS 20 -15.195 -3.897 -2.647 110 HD2 LYS 20 2HD LYS 20 -14.025 -5.839 -2.711 111 HD3 LYS 20 1HD LYS 20 -12.545 -5.037 -3.238 112 HE2 LYS 20 2HE LYS 20 -12.833 -4.105 -0.657 113 HE3 LYS 20 1HE LYS 20 -13.411 -5.766 -0.528 114 HZ1 LYS 20 3HZ LYS 20 -11.271 -6.185 -1.984 115 HZ2 LYS 20 1HZ LYS 20 -11.200 -6.125 -0.290 116 HZ3 LYS 20 2HZ LYS 20 -10.752 -4.766 -1.207 117 H LEU 21 H LEU 21 -11.164 -2.362 -5.273 118 HA LEU 21 HA LEU 21 -10.940 -0.101 -6.984 119 HB2 LEU 21 2HB LEU 21 -9.919 -2.922 -7.081 120 HB3 LEU 21 1HB LEU 21 -9.733 -1.892 -8.502 121 HG LEU 21 HG LEU 21 -8.997 -0.286 -6.309 122 HD11 LEU 21 1HD1 LEU 21 -8.849 -2.613 -5.165 123 HD12 LEU 21 2HD1 LEU 21 -7.461 -1.533 -5.027 124 HD13 LEU 21 3HD1 LEU 21 -7.433 -2.861 -6.188 125 HD21 LEU 21 3HD2 LEU 21 -8.041 -1.020 -8.820 126 HD22 LEU 21 1HD2 LEU 21 -6.772 -1.555 -7.719 127 HD23 LEU 21 2HD2 LEU 21 -7.281 0.134 -7.723 128 H ARG 22 H ARG 22 -12.561 0.552 -8.302 129 HA ARG 22 HA ARG 22 -14.473 -1.332 -9.434 130 HB2 ARG 22 2HB ARG 22 -14.882 1.132 -8.731 131 HB3 ARG 22 1HB ARG 22 -14.188 1.539 -10.299 132 HG2 ARG 22 2HG ARG 22 -15.951 -0.466 -10.960 133 HG3 ARG 22 1HG ARG 22 -16.807 0.375 -9.667 134 HD2 ARG 22 2HD ARG 22 -15.590 2.323 -11.386 135 HD3 ARG 22 1HD ARG 22 -16.513 1.192 -12.373 136 HE ARG 22 HE ARG 22 -17.969 2.134 -10.020 137 HH11 ARG 22 1HH1 ARG 22 -19.338 1.416 -12.545 138 HH12 ARG 22 2HH1 ARG 22 -19.729 2.961 -13.221 139 HH21 ARG 22 1HH2 ARG 22 -17.502 4.702 -11.215 140 HH22 ARG 22 2HH2 ARG 22 -18.692 4.820 -12.468 141 HA PRO 23 HA PRO 23 -12.169 -0.223 -13.468 142 HB2 PRO 23 2HB PRO 23 -9.753 1.065 -13.238 143 HB3 PRO 23 1HB PRO 23 -11.299 1.912 -13.409 144 HG2 PRO 23 2HG PRO 23 -9.590 1.603 -10.991 145 HG3 PRO 23 1HG PRO 23 -10.768 2.868 -11.378 146 HD2 PRO 23 2HD PRO 23 -11.172 0.676 -9.623 147 HD3 PRO 23 1HD PRO 23 -12.416 1.788 -10.221 148 H GLY 24 H GLY 24 -9.533 -0.653 -14.230 149 HA2 GLY 24 2HA GLY 24 -9.035 -3.329 -13.073 150 HA3 GLY 24 1HA GLY 24 -8.307 -2.691 -14.546 151 H ALA 25 H ALA 25 -8.414 -0.893 -11.525 152 HA ALA 25 HA ALA 25 -5.504 -0.603 -11.583 153 HB1 ALA 25 1HB ALA 25 -6.459 1.363 -10.817 154 HB2 ALA 25 2HB ALA 25 -6.135 0.572 -9.275 155 HB3 ALA 25 3HB ALA 25 -7.757 0.525 -9.966 156 H GLN 26 H GLN 26 -4.088 -1.276 -9.829 157 HA GLN 26 HA GLN 26 -5.006 -3.802 -8.571 158 HB2 GLN 26 2HB GLN 26 -2.449 -2.714 -9.501 159 HB3 GLN 26 1HB GLN 26 -2.337 -3.451 -7.903 160 HG2 GLN 26 2HG GLN 26 -2.269 -5.459 -8.918 161 HG3 GLN 26 1HG GLN 26 -3.941 -5.196 -9.410 162 HE21 GLN 26 1HE2 GLN 26 -0.759 -3.847 -10.482 163 HE22 GLN 26 2HE2 GLN 26 -1.046 -4.114 -12.134 164 H CYS 27 H CYS 27 -4.985 -0.596 -7.766 165 HA CYS 27 HA CYS 27 -5.352 -1.120 -4.946 166 HB2 CYS 27 2HB CYS 27 -3.388 0.038 -4.094 167 HB3 CYS 27 1HB CYS 27 -2.868 -1.299 -5.124 168 H GLY 28 H GLY 28 -6.441 0.584 -4.008 169 HA2 GLY 28 2HA GLY 28 -6.989 2.918 -5.754 170 HA3 GLY 28 1HA GLY 28 -7.924 2.459 -4.331 171 H GLU 29 H GLU 29 -5.657 2.028 -2.632 172 HA GLU 29 HA GLU 29 -4.254 4.622 -2.548 173 HB2 GLU 29 2HB GLU 29 -5.091 5.299 -0.471 174 HB3 GLU 29 1HB GLU 29 -6.529 4.677 -1.267 175 HG2 GLU 29 2HG GLU 29 -6.691 3.585 0.772 176 HG3 GLU 29 1HG GLU 29 -5.759 2.399 -0.143 177 H GLY 30 H GLY 30 -2.765 4.498 -0.403 178 HA2 GLY 30 2HA GLY 30 -1.843 2.527 1.048 179 HA3 GLY 30 1HA GLY 30 -1.520 1.792 -0.520 180 H LEU 31 H LEU 31 0.586 2.201 1.164 181 HA LEU 31 HA LEU 31 1.914 4.738 0.786 182 HB2 LEU 31 2HB LEU 31 2.793 2.005 1.713 183 HB3 LEU 31 1HB LEU 31 3.955 3.313 1.499 184 HG LEU 31 HG LEU 31 1.930 4.544 2.906 185 HD11 LEU 31 1HD1 LEU 31 1.766 1.665 3.320 186 HD12 LEU 31 2HD1 LEU 31 0.678 2.936 3.879 187 HD13 LEU 31 3HD1 LEU 31 2.107 2.519 4.825 188 HD21 LEU 31 3HD2 LEU 31 4.193 3.111 4.287 189 HD22 LEU 31 1HD2 LEU 31 3.544 4.717 4.614 190 HD23 LEU 31 2HD2 LEU 31 4.519 4.437 3.171 191 H CYS 32 H CYS 32 1.708 1.781 -1.073 192 HA CYS 32 HA CYS 32 3.752 2.911 -2.936 193 HB2 CYS 32 2HB CYS 32 3.416 0.254 -1.818 194 HB3 CYS 32 1HB CYS 32 3.431 0.215 -3.582 195 H CYS 33 H CYS 33 0.583 2.934 -2.673 196 HA CYS 33 HA CYS 33 -0.175 1.736 -5.232 197 HB2 CYS 33 2HB CYS 33 -1.777 1.912 -3.326 198 HB3 CYS 33 1HB CYS 33 -1.758 3.662 -3.503 199 H GLU 34 H GLU 34 1.218 2.807 -6.719 200 HA GLU 34 HA GLU 34 0.797 5.739 -7.038 201 HB2 GLU 34 2HB GLU 34 2.907 3.874 -8.167 202 HB3 GLU 34 1HB GLU 34 2.794 5.592 -8.547 203 HG2 GLU 34 2HG GLU 34 3.178 6.205 -6.250 204 HG3 GLU 34 1HG GLU 34 3.032 4.528 -5.723 205 H GLN 35 H GLN 35 -0.438 6.434 -8.730 206 HA GLN 35 HA GLN 35 -1.742 6.336 -10.675 207 HB2 GLN 35 2HB GLN 35 0.746 5.245 -11.348 208 HB3 GLN 35 1HB GLN 35 -0.423 4.057 -11.929 209 HG2 GLN 35 2HG GLN 35 -0.699 7.017 -12.494 210 HG3 GLN 35 1HG GLN 35 0.170 5.923 -13.570 211 HE21 GLN 35 1HE2 GLN 35 -1.150 3.965 -14.356 212 HE22 GLN 35 2HE2 GLN 35 -2.814 4.188 -14.609 213 H CYS 36 H CYS 36 -2.190 4.586 -8.291 214 HA CYS 36 HA CYS 36 -3.733 2.943 -7.659 215 HB2 CYS 36 2HB CYS 36 -4.587 3.541 -10.478 216 HB3 CYS 36 1HB CYS 36 -5.298 2.191 -9.605 217 H LYS 37 H LYS 37 -1.056 2.265 -8.732 218 HA LYS 37 HA LYS 37 -1.672 -0.538 -9.567 219 HB2 LYS 37 2HB LYS 37 0.511 1.302 -10.578 220 HB3 LYS 37 1HB LYS 37 0.498 -0.438 -10.867 221 HG2 LYS 37 2HG LYS 37 -2.091 0.639 -11.503 222 HG3 LYS 37 1HG LYS 37 -0.855 1.574 -12.346 223 HD2 LYS 37 2HD LYS 37 0.034 -0.366 -13.408 224 HD3 LYS 37 1HD LYS 37 -0.869 -1.448 -12.346 225 HE2 LYS 37 2HE LYS 37 -2.853 -1.132 -13.480 226 HE3 LYS 37 1HE LYS 37 -2.430 0.506 -13.975 227 HZ1 LYS 37 3HZ LYS 37 -1.554 -2.058 -15.143 228 HZ2 LYS 37 1HZ LYS 37 -0.655 -0.640 -15.385 229 HZ3 LYS 37 2HZ LYS 37 -2.267 -0.724 -15.917 230 H PHE 38 H PHE 38 -0.001 -2.100 -8.896 231 HA PHE 38 HA PHE 38 0.997 -1.487 -6.216 232 HB2 PHE 38 2HB PHE 38 1.048 -3.919 -7.996 233 HB3 PHE 38 1HB PHE 38 1.987 -3.871 -6.506 234 HD1 PHE 38 2HD PHE 38 0.204 -2.284 -4.741 235 HD2 PHE 38 1HD PHE 38 -0.709 -5.422 -7.529 236 HE1 PHE 38 2HE PHE 38 -1.828 -2.851 -3.439 237 HE2 PHE 38 1HE PHE 38 -2.740 -5.990 -6.225 238 HZ PHE 38 HZ PHE 38 -3.300 -4.703 -4.181 239 H SER 39 H SER 39 2.942 -0.479 -5.902 240 HA SER 39 HA SER 39 4.847 -0.022 -7.980 241 HB2 SER 39 2HB SER 39 4.855 0.244 -5.001 242 HB3 SER 39 1HB SER 39 6.413 0.238 -5.821 243 HG SER 39 HG SER 39 5.859 2.305 -5.973 244 H ARG 40 H ARG 40 7.309 -0.840 -7.364 245 HA ARG 40 HA ARG 40 7.106 -3.773 -7.651 246 HB2 ARG 40 2HB ARG 40 9.172 -1.701 -8.221 247 HB3 ARG 40 1HB ARG 40 9.758 -3.313 -7.813 248 HG2 ARG 40 2HG ARG 40 7.621 -3.736 -9.592 249 HG3 ARG 40 1HG ARG 40 8.531 -2.388 -10.272 250 HD2 ARG 40 2HD ARG 40 9.326 -4.690 -10.994 251 HD3 ARG 40 1HD ARG 40 10.569 -3.657 -10.288 252 HE ARG 40 HE ARG 40 9.425 -5.201 -8.194 253 HH11 ARG 40 1HH1 ARG 40 10.960 -5.795 -11.212 254 HH12 ARG 40 2HH1 ARG 40 11.947 -7.086 -10.612 255 HH21 ARG 40 1HH2 ARG 40 10.838 -6.771 -7.342 256 HH22 ARG 40 2HH2 ARG 40 11.878 -7.638 -8.423 257 H ALA 41 H ALA 41 8.488 -5.199 -6.332 258 HA ALA 41 HA ALA 41 8.335 -4.549 -3.512 259 HB1 ALA 41 1HB ALA 41 9.942 -6.794 -4.759 260 HB2 ALA 41 2HB ALA 41 8.193 -6.880 -4.550 261 HB3 ALA 41 3HB ALA 41 9.244 -6.738 -3.140 262 H GLY 42 H GLY 42 10.198 -4.475 -2.044 263 HA2 GLY 42 2HA GLY 42 12.334 -3.689 -1.431 264 HA3 GLY 42 1HA GLY 42 12.869 -4.050 -3.078 265 H LYS 43 H LYS 43 10.045 -2.110 -2.516 266 HA LYS 43 HA LYS 43 11.506 0.230 -3.666 267 HB2 LYS 43 2HB LYS 43 9.650 -0.122 -5.023 268 HB3 LYS 43 1HB LYS 43 8.655 -0.700 -3.698 269 HG2 LYS 43 2HG LYS 43 7.696 1.353 -3.767 270 HG3 LYS 43 1HG LYS 43 9.138 1.932 -2.971 271 HD2 LYS 43 2HD LYS 43 10.088 1.985 -5.447 272 HD3 LYS 43 1HD LYS 43 8.376 2.105 -5.852 273 HE2 LYS 43 2HE LYS 43 9.494 3.874 -3.702 274 HE3 LYS 43 1HE LYS 43 9.769 4.295 -5.393 275 HZ1 LYS 43 3HZ LYS 43 7.613 4.775 -5.717 276 HZ2 LYS 43 1HZ LYS 43 7.588 4.989 -4.034 277 HZ3 LYS 43 2HZ LYS 43 7.057 3.524 -4.711 278 H ILE 44 H ILE 44 11.670 2.135 -2.510 279 HA ILE 44 HA ILE 44 11.304 1.992 0.335 280 HB ILE 44 HB ILE 44 12.226 4.056 -1.605 281 HG12 ILE 44 2HG1 ILE 44 13.754 2.494 -0.459 282 HG13 ILE 44 1HG1 ILE 44 14.067 4.157 0.048 283 HG21 ILE 44 1HG2 ILE 44 10.925 5.619 -0.476 284 HG22 ILE 44 2HG2 ILE 44 12.338 5.577 0.578 285 HG23 ILE 44 3HG2 ILE 44 10.891 4.666 1.008 286 HD11 ILE 44 3HD1 ILE 44 13.065 1.883 1.619 287 HD12 ILE 44 1HD1 ILE 44 12.114 3.353 1.824 288 HD13 ILE 44 2HD1 ILE 44 13.845 3.368 2.163 289 H CYS 45 H CYS 45 9.504 2.263 1.442 290 HA CYS 45 HA CYS 45 7.228 3.742 0.197 291 HB2 CYS 45 2HB CYS 45 6.229 2.287 2.362 292 HB3 CYS 45 1HB CYS 45 6.007 1.914 0.660 293 H ARG 46 H ARG 46 9.403 3.482 2.826 294 HA ARG 46 HA ARG 46 8.558 6.067 3.872 295 HB2 ARG 46 2HB ARG 46 7.042 4.196 4.918 296 HB3 ARG 46 1HB ARG 46 8.479 3.816 5.867 297 HG2 ARG 46 2HG ARG 46 7.018 5.420 7.056 298 HG3 ARG 46 1HG ARG 46 8.578 6.144 6.665 299 HD2 ARG 46 2HD ARG 46 7.672 7.413 4.884 300 HD3 ARG 46 1HD ARG 46 6.204 6.436 4.824 301 HE ARG 46 HE ARG 46 6.325 7.625 7.394 302 HH11 ARG 46 1HH1 ARG 46 6.346 8.673 4.115 303 HH12 ARG 46 2HH1 ARG 46 5.297 10.021 4.398 304 HH21 ARG 46 1HH2 ARG 46 4.836 9.300 7.758 305 HH22 ARG 46 2HH2 ARG 46 4.443 10.377 6.459 306 H ILE 47 H ILE 47 10.069 6.752 5.659 307 HA ILE 47 HA ILE 47 12.732 5.555 5.150 308 HB ILE 47 HB ILE 47 12.014 8.147 5.160 309 HG12 ILE 47 2HG1 ILE 47 14.661 7.222 6.302 310 HG13 ILE 47 1HG1 ILE 47 14.234 7.063 4.597 311 HG21 ILE 47 1HG2 ILE 47 12.321 9.254 7.193 312 HG22 ILE 47 2HG2 ILE 47 13.235 7.920 7.896 313 HG23 ILE 47 3HG2 ILE 47 11.487 7.788 7.710 314 HD11 ILE 47 3HD1 ILE 47 15.298 9.122 4.559 315 HD12 ILE 47 1HD1 ILE 47 14.776 9.538 6.192 316 HD13 ILE 47 2HD1 ILE 47 13.634 9.634 4.850 317 H ALA 48 H ALA 48 14.158 5.105 7.000 318 HA ALA 48 HA ALA 48 12.590 4.077 9.310 319 HB1 ALA 48 1HB ALA 48 15.059 3.262 7.913 320 HB2 ALA 48 2HB ALA 48 13.887 2.280 8.792 321 HB3 ALA 48 3HB ALA 48 15.143 3.150 9.671 322 H ARG 49 H ARG 49 12.377 5.936 10.600 323 HA ARG 49 HA ARG 49 14.594 7.724 11.130 324 HB2 ARG 49 2HB ARG 49 11.820 7.358 12.196 325 HB3 ARG 49 1HB ARG 49 12.963 8.308 13.146 326 HG2 ARG 49 2HG ARG 49 13.461 9.576 10.964 327 HG3 ARG 49 1HG ARG 49 12.001 8.816 10.329 328 HD2 ARG 49 2HD ARG 49 11.035 10.709 11.210 329 HD3 ARG 49 1HD ARG 49 11.012 9.707 12.661 330 HE ARG 49 HE ARG 49 13.499 11.144 12.489 331 HH11 ARG 49 1HH2 ARG 49 10.798 12.827 12.013 332 HH12 ARG 49 2HH2 ARG 49 10.700 13.582 13.569 333 HH21 ARG 49 1HH1 ARG 49 13.100 11.531 15.005 334 HH22 ARG 49 2HH1 ARG 49 12.005 12.849 15.263 335 H GLY 50 H GLY 50 16.350 6.991 12.235 336 HA2 GLY 50 2HA GLY 50 16.811 6.512 14.776 337 HA3 GLY 50 1HA GLY 50 15.932 5.023 14.430 338 H ASP 51 H ASP 51 17.025 3.358 13.443 339 HA ASP 51 HA ASP 51 19.454 3.763 11.909 340 HB2 ASP 51 2HB ASP 51 19.628 3.274 14.802 341 HB3 ASP 51 1HB ASP 51 20.548 2.121 13.834 342 H TRP 52 H TRP 52 17.115 2.452 11.243 343 HA TRP 52 HA TRP 52 18.029 -0.391 11.214 344 HB2 TRP 52 2HB TRP 52 15.270 -0.558 10.972 345 HB3 TRP 52 1HB TRP 52 16.194 -0.919 12.428 346 HD1 TRP 52 HD TRP 52 14.228 1.929 10.769 347 HE1 TRP 52 1HE TRP 52 13.467 3.577 12.599 348 HE3 TRP 52 3HE TRP 52 16.625 -0.076 14.805 349 HZ2 TRP 52 2HZ TRP 52 13.828 3.989 15.407 350 HZ3 TRP 52 3HZ TRP 52 16.399 0.964 17.044 351 HH2 TRP 52 HH TRP 52 15.005 2.991 17.349 352 H ASN 53 H ASN 53 16.127 -1.415 9.486 353 HA ASN 53 HA ASN 53 17.036 -0.314 6.949 354 HB2 ASN 53 2HB ASN 53 15.192 -2.560 7.747 355 HB3 ASN 53 1HB ASN 53 15.334 -2.062 6.061 356 HD21 ASN 53 1HD2 ASN 53 16.862 -3.874 8.590 357 HD22 ASN 53 2HD2 ASN 53 18.281 -4.264 7.743 358 H ASP 54 H ASP 54 15.858 0.907 5.481 359 HA ASP 54 HA ASP 54 13.763 2.586 6.456 360 HB2 ASP 54 2HB ASP 54 14.343 1.941 3.551 361 HB3 ASP 54 1HB ASP 54 13.594 3.404 4.192 362 H ASP 55 H ASP 55 11.910 2.437 4.215 363 HA ASP 55 HA ASP 55 10.452 -0.045 5.022 364 HB2 ASP 55 2HB ASP 55 9.641 2.737 4.652 365 HB3 ASP 55 1HB ASP 55 8.635 1.625 3.725 366 H ARG 56 H ARG 56 10.765 -1.586 3.475 367 HA ARG 56 HA ARG 56 10.908 -0.760 0.616 368 HB2 ARG 56 2HB ARG 56 11.433 -3.488 1.830 369 HB3 ARG 56 1HB ARG 56 11.849 -2.948 0.204 370 HG2 ARG 56 2HG ARG 56 12.913 -1.188 2.289 371 HG3 ARG 56 1HG ARG 56 13.526 -2.839 2.403 372 HD2 ARG 56 2HD ARG 56 13.607 -2.317 -0.320 373 HD3 ARG 56 1HD ARG 56 14.092 -0.783 0.401 374 HE ARG 56 HE ARG 56 15.473 -3.385 0.923 375 HH11 ARG 56 1HH2 ARG 56 15.281 -0.116 1.774 376 HH12 ARG 56 2HH2 ARG 56 16.983 0.181 1.661 377 HH21 ARG 56 1HH1 ARG 56 17.711 -2.943 0.344 378 HH22 ARG 56 2HH1 ARG 56 18.360 -1.419 0.852 379 H CYS 57 H CYS 57 9.175 -1.041 -0.643 380 HA CYS 57 HA CYS 57 6.722 -2.153 0.382 381 HB2 CYS 57 2HB CYS 57 7.658 -1.182 -2.299 382 HB3 CYS 57 1HB CYS 57 6.114 -2.012 -2.158 383 H THR 58 H THR 58 5.820 -4.168 0.000 384 HA THR 58 HA THR 58 7.592 -6.359 -0.552 385 HB THR 58 HB THR 58 4.873 -7.157 -0.924 386 HG1 THR 58 1HG THR 58 4.454 -6.241 1.388 387 HG21 THR 58 3HG2 THR 58 6.419 -8.618 0.125 388 HG22 THR 58 1HG2 THR 58 5.330 -8.119 1.418 389 HG23 THR 58 2HG2 THR 58 6.926 -7.384 1.278 390 H GLY 59 H GLY 59 5.774 -4.270 -2.584 391 HA2 GLY 59 2HA GLY 59 6.304 -4.289 -4.989 392 HA3 GLY 59 1HA GLY 59 6.410 -6.046 -4.901 393 H GLN 60 H GLN 60 4.194 -6.973 -3.898 394 HA GLN 60 HA GLN 60 2.084 -5.941 -5.703 395 HB2 GLN 60 2HB GLN 60 0.956 -8.057 -5.286 396 HB3 GLN 60 1HB GLN 60 2.645 -8.380 -5.680 397 HG2 GLN 60 2HG GLN 60 3.135 -8.441 -3.211 398 HG3 GLN 60 1HG GLN 60 1.398 -8.328 -2.920 399 HE21 GLN 60 1HE2 GLN 60 0.211 -10.267 -3.002 400 HE22 GLN 60 2HE2 GLN 60 0.835 -11.746 -3.555 401 H SER 61 H SER 61 3.050 -5.436 -2.558 402 HA SER 61 HA SER 61 0.281 -5.224 -1.499 403 HB2 SER 61 2HB SER 61 2.881 -4.659 -0.055 404 HB3 SER 61 1HB SER 61 1.295 -4.927 0.663 405 HG SER 61 HG SER 61 1.480 -7.023 0.316 406 H ALA 62 H ALA 62 -0.729 -3.318 -1.949 407 HA ALA 62 HA ALA 62 0.542 -0.942 -2.841 408 HB1 ALA 62 1HB ALA 62 -1.658 0.129 -1.849 409 HB2 ALA 62 2HB ALA 62 -2.139 -1.553 -1.628 410 HB3 ALA 62 3HB ALA 62 -1.758 -0.949 -3.241 411 H ASP 63 H ASP 63 -0.272 -2.060 0.421 412 HA ASP 63 HA ASP 63 0.648 0.426 1.663 413 HB2 ASP 63 2HB ASP 63 -0.254 -2.260 2.685 414 HB3 ASP 63 1HB ASP 63 0.543 -1.116 3.767 415 H CYS 64 H CYS 64 2.343 -0.275 3.669 416 HA CYS 64 HA CYS 64 4.544 -1.741 2.299 417 HB2 CYS 64 2HB CYS 64 4.992 0.649 2.083 418 HB3 CYS 64 1HB CYS 64 4.845 0.861 3.823 419 HA PRO 65 HA PRO 65 4.632 -3.881 6.130 420 HB2 PRO 65 2HB PRO 65 6.638 -5.572 5.365 421 HB3 PRO 65 1HB PRO 65 4.964 -5.780 4.856 422 HG2 PRO 65 2HG PRO 65 7.312 -4.845 3.298 423 HG3 PRO 65 1HG PRO 65 5.810 -5.591 2.726 424 HD2 PRO 65 2HD PRO 65 6.456 -2.831 2.644 425 HD3 PRO 65 1HD PRO 65 4.867 -3.557 2.324 426 H ARG 66 H ARG 66 5.772 -3.359 7.983 427 HA ARG 66 HA ARG 66 8.450 -2.091 7.646 428 HB2 ARG 66 2HB ARG 66 7.030 -2.117 10.279 429 HB3 ARG 66 1HB ARG 66 8.037 -0.859 9.561 430 HG2 ARG 66 2HG ARG 66 6.210 -0.453 7.878 431 HG3 ARG 66 1HG ARG 66 5.196 -1.576 8.785 432 HD2 ARG 66 2HD ARG 66 6.471 0.916 9.953 433 HD3 ARG 66 1HD ARG 66 4.795 0.806 9.420 434 HE ARG 66 HE ARG 66 5.943 -0.614 11.771 435 HH11 ARG 66 1HH2 ARG 66 3.761 1.444 12.006 436 HH12 ARG 66 2HH2 ARG 66 2.347 0.453 12.139 437 HH21 ARG 66 1HH1 ARG 66 3.921 -2.409 10.968 438 HH22 ARG 66 2HH1 ARG 66 2.438 -1.730 11.551 439 H ASN 67 H ASN 67 9.710 -2.552 9.963 440 HA ASN 67 HA ASN 67 9.918 -5.526 10.026 441 HB2 ASN 67 2HB ASN 67 12.079 -4.498 11.465 442 HB3 ASN 67 1HB ASN 67 12.123 -5.093 9.809 443 HD21 ASN 67 1HD2 ASN 67 13.603 -3.540 8.955 444 HD22 ASN 67 2HD2 ASN 67 13.263 -1.879 8.883 445 HA PRO 68 HA PRO 68 8.701 -5.703 14.238 446 HB2 PRO 68 2HB PRO 68 10.424 -7.591 15.245 447 HB3 PRO 68 1HB PRO 68 9.087 -7.974 14.147 448 HG2 PRO 68 2HG PRO 68 12.010 -7.872 13.578 449 HG3 PRO 68 1HG PRO 68 10.741 -8.800 12.763 450 HD2 PRO 68 2HD PRO 68 11.916 -6.394 11.824 451 HD3 PRO 68 1HD PRO 68 10.454 -7.171 11.178 452 H TRP 69 H TRP 69 10.663 -3.546 13.738 453 HA TRP 69 HA TRP 69 11.868 -3.453 16.463 454 HB2 TRP 69 2HB TRP 69 13.276 -2.456 13.972 455 HB3 TRP 69 1HB TRP 69 13.931 -2.548 15.607 456 HD1 TRP 69 HD TRP 69 14.212 -4.310 12.525 457 HE1 TRP 69 1HE TRP 69 14.826 -6.791 12.857 458 HE3 TRP 69 3HE TRP 69 13.134 -4.827 17.488 459 HZ2 TRP 69 2HZ TRP 69 14.860 -8.739 14.952 460 HZ3 TRP 69 3HZ TRP 69 13.469 -7.005 18.628 461 HH2 TRP 69 HH TRP 69 14.328 -8.959 17.366 462 H ASN 70 H ASN 70 9.434 -2.280 15.236 463 HA ASN 70 HA ASN 70 10.140 0.609 15.583 464 HB2 ASN 70 2HB ASN 70 8.954 -0.637 13.350 465 HB3 ASN 70 1HB ASN 70 7.639 0.200 14.176 466 HD21 ASN 70 1HD2 ASN 70 10.493 0.652 12.232 467 HD22 ASN 70 2HD2 ASN 70 10.460 2.349 12.212 468 H GLY 71 H GLY 71 8.365 -2.047 16.745 469 HA2 GLY 71 2HA GLY 71 7.401 -1.562 19.053 470 HA3 GLY 71 1HA GLY 71 6.556 -0.223 18.276 Start of MODEL 17 1 H GLY 1 1HT GLY 1 -18.307 -11.098 1.309 2 HA2 GLY 1 1HA GLY 1 -18.564 -10.030 3.850 3 HA3 GLY 1 2HA GLY 1 -17.082 -10.558 3.054 4 H LYS 2 H LYS 2 -15.561 -8.982 2.973 5 HA LYS 2 HA LYS 2 -16.149 -6.229 3.570 6 HB2 LYS 2 2HB LYS 2 -13.861 -7.776 3.488 7 HB3 LYS 2 1HB LYS 2 -13.652 -6.710 2.099 8 HG2 LYS 2 2HG LYS 2 -14.660 -5.350 4.508 9 HG3 LYS 2 1HG LYS 2 -13.042 -6.026 4.688 10 HD2 LYS 2 2HD LYS 2 -12.839 -4.906 2.215 11 HD3 LYS 2 1HD LYS 2 -13.974 -3.795 2.983 12 HE2 LYS 2 2HE LYS 2 -12.246 -2.826 4.043 13 HE3 LYS 2 1HE LYS 2 -11.969 -4.339 4.906 14 HZ1 LYS 2 3HZ LYS 2 -10.992 -4.445 2.230 15 HZ2 LYS 2 1HZ LYS 2 -10.180 -4.759 3.685 16 HZ3 LYS 2 2HZ LYS 2 -10.284 -3.168 3.097 17 H GLU 3 H GLU 3 -17.179 -4.879 2.189 18 HA GLU 3 HA GLU 3 -16.794 -5.289 -0.747 19 HB2 GLU 3 2HB GLU 3 -18.871 -3.749 -0.836 20 HB3 GLU 3 1HB GLU 3 -19.113 -5.401 -0.266 21 HG2 GLU 3 2HG GLU 3 -19.167 -4.712 2.019 22 HG3 GLU 3 1HG GLU 3 -18.548 -3.108 1.622 23 H CYS 4 H CYS 4 -14.987 -3.816 1.168 24 HA CYS 4 HA CYS 4 -15.103 -1.181 -0.235 25 HB2 CYS 4 2HB CYS 4 -15.033 -1.779 2.630 26 HB3 CYS 4 1HB CYS 4 -13.737 -0.693 2.132 27 H ASP 5 H ASP 5 -13.465 -1.470 -1.728 28 HA ASP 5 HA ASP 5 -10.971 -2.822 -0.941 29 HB2 ASP 5 2HB ASP 5 -12.245 -2.756 -3.302 30 HB3 ASP 5 1HB ASP 5 -11.194 -1.359 -3.532 31 H CYS 6 H CYS 6 -12.076 0.064 -0.132 32 HA CYS 6 HA CYS 6 -9.393 1.223 0.074 33 HB2 CYS 6 2HB CYS 6 -9.894 3.282 -1.114 34 HB3 CYS 6 1HB CYS 6 -10.192 1.929 -2.203 35 H SER 7 H SER 7 -9.625 3.464 1.239 36 HA SER 7 HA SER 7 -11.853 3.207 3.219 37 HB2 SER 7 2HB SER 7 -9.947 4.803 4.413 38 HB3 SER 7 1HB SER 7 -10.129 3.072 4.682 39 HG SER 7 HG SER 7 -8.414 2.707 3.490 40 H SER 8 H SER 8 -11.351 4.859 0.564 41 HA SER 8 HA SER 8 -12.382 7.400 1.743 42 HB2 SER 8 2HB SER 8 -10.290 7.056 -0.411 43 HB3 SER 8 1HB SER 8 -11.161 8.567 -0.174 44 HG SER 8 HG SER 8 -10.056 8.919 1.594 45 HA PRO 9 HA PRO 9 -15.559 6.598 -1.247 46 HB2 PRO 9 2HB PRO 9 -16.972 8.911 -0.802 47 HB3 PRO 9 1HB PRO 9 -17.027 7.508 0.279 48 HG2 PRO 9 2HG PRO 9 -15.644 10.120 0.664 49 HG3 PRO 9 1HG PRO 9 -16.248 8.982 1.879 50 HD2 PRO 9 2HD PRO 9 -13.546 9.280 1.076 51 HD3 PRO 9 1HD PRO 9 -14.209 7.949 2.048 52 H GLU 10 H GLU 10 -13.568 9.488 -1.203 53 HA GLU 10 HA GLU 10 -14.403 10.156 -3.982 54 HB2 GLU 10 2HB GLU 10 -13.015 12.224 -3.597 55 HB3 GLU 10 1HB GLU 10 -14.379 12.062 -2.490 56 HG2 GLU 10 2HG GLU 10 -13.024 11.888 -0.689 57 HG3 GLU 10 1HG GLU 10 -11.967 10.733 -1.503 58 H ASN 11 H ASN 11 -12.564 7.889 -3.001 59 HA ASN 11 HA ASN 11 -9.937 8.598 -4.042 60 HB2 ASN 11 2HB ASN 11 -10.363 6.834 -2.284 61 HB3 ASN 11 1HB ASN 11 -11.067 5.831 -3.551 62 HD21 ASN 11 1HD2 ASN 11 -8.396 5.738 -1.890 63 HD22 ASN 11 2HD2 ASN 11 -7.223 5.441 -3.082 64 HA PRO 12 HA PRO 12 -11.150 7.859 -8.259 65 HB2 PRO 12 2HB PRO 12 -8.659 8.286 -9.341 66 HB3 PRO 12 1HB PRO 12 -9.744 9.591 -8.832 67 HG2 PRO 12 2HG PRO 12 -7.282 8.569 -7.496 68 HG3 PRO 12 1HG PRO 12 -8.014 10.180 -7.417 69 HD2 PRO 12 2HD PRO 12 -8.217 8.169 -5.436 70 HD3 PRO 12 1HD PRO 12 -9.203 9.644 -5.531 71 H CYS 13 H CYS 13 -9.332 5.870 -6.304 72 HA CYS 13 HA CYS 13 -8.561 4.009 -8.493 73 HB2 CYS 13 2HB CYS 13 -7.946 3.973 -5.521 74 HB3 CYS 13 1HB CYS 13 -7.376 2.772 -6.677 75 H CYS 14 H CYS 14 -10.783 4.373 -5.798 76 HA CYS 14 HA CYS 14 -11.935 1.700 -6.499 77 HB2 CYS 14 2HB CYS 14 -12.607 1.422 -4.208 78 HB3 CYS 14 1HB CYS 14 -10.907 1.887 -4.192 79 H ASP 15 H ASP 15 -14.097 1.604 -6.896 80 HA ASP 15 HA ASP 15 -15.526 3.985 -7.606 81 HB2 ASP 15 2HB ASP 15 -15.816 1.433 -8.296 82 HB3 ASP 15 1HB ASP 15 -16.950 1.435 -6.951 83 H ALA 16 H ALA 16 -16.883 5.245 -6.378 84 HA ALA 16 HA ALA 16 -16.923 4.889 -3.501 85 HB1 ALA 16 1HB ALA 16 -18.972 6.697 -4.408 86 HB2 ALA 16 2HB ALA 16 -17.499 6.977 -5.337 87 HB3 ALA 16 3HB ALA 16 -17.463 7.074 -3.576 88 H ALA 17 H ALA 17 -19.164 4.218 -6.142 89 HA ALA 17 HA ALA 17 -21.500 3.730 -4.588 90 HB1 ALA 17 1HB ALA 17 -20.651 2.338 -7.147 91 HB2 ALA 17 2HB ALA 17 -21.471 3.897 -7.075 92 HB3 ALA 17 3HB ALA 17 -22.293 2.443 -6.511 93 H THR 18 H THR 18 -19.039 1.407 -5.771 94 HA THR 18 HA THR 18 -20.098 -0.575 -3.824 95 HB THR 18 HB THR 18 -19.817 -1.475 -6.042 96 HG1 THR 18 1HG THR 18 -17.821 -2.849 -5.537 97 HG21 THR 18 3HG2 THR 18 -17.368 -1.454 -6.956 98 HG22 THR 18 1HG2 THR 18 -17.163 -0.076 -5.876 99 HG23 THR 18 2HG2 THR 18 -18.369 -0.016 -7.160 100 H CYS 19 H CYS 19 -17.802 1.829 -3.895 101 HA CYS 19 HA CYS 19 -15.885 2.252 -2.598 102 HB2 CYS 19 2HB CYS 19 -17.510 1.818 -0.786 103 HB3 CYS 19 1HB CYS 19 -17.163 0.094 -0.887 104 H LYS 20 H LYS 20 -15.716 0.231 -4.729 105 HA LYS 20 HA LYS 20 -13.415 -1.323 -3.617 106 HB2 LYS 20 2HB LYS 20 -15.799 -2.290 -5.131 107 HB3 LYS 20 1HB LYS 20 -14.246 -3.061 -5.457 108 HG2 LYS 20 2HG LYS 20 -14.516 -2.759 -2.628 109 HG3 LYS 20 1HG LYS 20 -15.998 -3.487 -3.244 110 HD2 LYS 20 2HD LYS 20 -14.457 -5.069 -4.575 111 HD3 LYS 20 1HD LYS 20 -13.167 -4.500 -3.514 112 HE2 LYS 20 2HE LYS 20 -14.112 -5.462 -1.620 113 HE3 LYS 20 1HE LYS 20 -15.743 -5.423 -2.289 114 HZ1 LYS 20 3HZ LYS 20 -13.595 -7.361 -2.736 115 HZ2 LYS 20 1HZ LYS 20 -14.668 -7.055 -4.013 116 HZ3 LYS 20 2HZ LYS 20 -15.261 -7.619 -2.525 117 H LEU 21 H LEU 21 -12.145 -2.291 -5.650 118 HA LEU 21 HA LEU 21 -11.127 -0.073 -7.117 119 HB2 LEU 21 2HB LEU 21 -10.867 -3.051 -7.331 120 HB3 LEU 21 1HB LEU 21 -10.263 -2.052 -8.653 121 HG LEU 21 HG LEU 21 -9.484 -0.985 -6.056 122 HD11 LEU 21 1HD1 LEU 21 -9.575 -3.725 -6.027 123 HD12 LEU 21 2HD1 LEU 21 -8.448 -2.757 -5.075 124 HD13 LEU 21 3HD1 LEU 21 -7.941 -3.435 -6.623 125 HD21 LEU 21 3HD2 LEU 21 -8.593 -0.927 -8.661 126 HD22 LEU 21 1HD2 LEU 21 -7.443 -2.031 -7.907 127 HD23 LEU 21 2HD2 LEU 21 -7.649 -0.401 -7.268 128 H ARG 22 H ARG 22 -12.207 1.048 -8.667 129 HA ARG 22 HA ARG 22 -14.387 -0.260 -10.162 130 HB2 ARG 22 2HB ARG 22 -14.072 2.294 -9.236 131 HB3 ARG 22 1HB ARG 22 -13.612 2.482 -10.929 132 HG2 ARG 22 2HG ARG 22 -16.133 1.040 -10.084 133 HG3 ARG 22 1HG ARG 22 -16.095 2.771 -10.425 134 HD2 ARG 22 2HD ARG 22 -15.687 2.457 -12.687 135 HD3 ARG 22 1HD ARG 22 -14.916 0.890 -12.436 136 HE ARG 22 HE ARG 22 -17.615 0.583 -11.682 137 HH11 ARG 22 1HH2 ARG 22 -15.505 0.440 -14.326 138 HH12 ARG 22 2HH2 ARG 22 -16.746 0.218 -15.512 139 HH21 ARG 22 1HH1 ARG 22 -19.345 0.710 -13.270 140 HH22 ARG 22 2HH1 ARG 22 -18.921 0.372 -14.915 141 HA PRO 23 HA PRO 23 -11.443 0.776 -13.762 142 HB2 PRO 23 2HB PRO 23 -8.964 1.790 -13.152 143 HB3 PRO 23 1HB PRO 23 -10.395 2.802 -13.418 144 HG2 PRO 23 2HG PRO 23 -9.012 2.153 -10.866 145 HG3 PRO 23 1HG PRO 23 -10.042 3.538 -11.262 146 HD2 PRO 23 2HD PRO 23 -10.795 1.225 -9.777 147 HD3 PRO 23 1HD PRO 23 -11.874 2.515 -10.349 148 H GLY 24 H GLY 24 -9.295 -0.223 -14.649 149 HA2 GLY 24 2HA GLY 24 -8.971 -2.855 -13.472 150 HA3 GLY 24 1HA GLY 24 -8.070 -2.226 -14.851 151 H ALA 25 H ALA 25 -8.354 -1.351 -11.383 152 HA ALA 25 HA ALA 25 -5.401 -0.984 -11.345 153 HB1 ALA 25 1HB ALA 25 -6.392 -0.170 -8.879 154 HB2 ALA 25 2HB ALA 25 -7.666 0.293 -10.007 155 HB3 ALA 25 3HB ALA 25 -6.023 0.887 -10.241 156 H GLN 26 H GLN 26 -4.357 -1.677 -9.202 157 HA GLN 26 HA GLN 26 -5.276 -4.437 -8.606 158 HB2 GLN 26 2HB GLN 26 -2.723 -3.206 -8.913 159 HB3 GLN 26 1HB GLN 26 -2.849 -3.750 -7.239 160 HG2 GLN 26 2HG GLN 26 -2.742 -5.930 -7.834 161 HG3 GLN 26 1HG GLN 26 -3.910 -5.709 -9.137 162 HE21 GLN 26 1HE2 GLN 26 -2.825 -4.216 -11.025 163 HE22 GLN 26 2HE2 GLN 26 -1.286 -4.742 -11.507 164 H CYS 27 H CYS 27 -4.542 -1.357 -7.000 165 HA CYS 27 HA CYS 27 -6.160 -2.313 -4.703 166 HB2 CYS 27 2HB CYS 27 -4.452 -2.239 -3.231 167 HB3 CYS 27 1HB CYS 27 -3.367 -2.096 -4.604 168 H GLY 28 H GLY 28 -6.627 -0.311 -3.217 169 HA2 GLY 28 2HA GLY 28 -7.414 1.916 -5.029 170 HA3 GLY 28 1HA GLY 28 -8.205 1.533 -3.504 171 H GLU 29 H GLU 29 -5.930 1.234 -1.895 172 HA GLU 29 HA GLU 29 -4.403 3.746 -2.180 173 HB2 GLU 29 2HB GLU 29 -5.029 4.460 0.093 174 HB3 GLU 29 1HB GLU 29 -6.431 4.390 -0.962 175 HG2 GLU 29 2HG GLU 29 -7.412 2.807 0.301 176 HG3 GLU 29 1HG GLU 29 -5.946 1.828 0.317 177 H GLY 30 H GLY 30 -2.491 3.760 -0.813 178 HA2 GLY 30 2HA GLY 30 -1.711 2.026 1.175 179 HA3 GLY 30 1HA GLY 30 -1.472 1.071 -0.288 180 H LEU 31 H LEU 31 0.753 1.628 1.183 181 HA LEU 31 HA LEU 31 2.060 4.083 0.312 182 HB2 LEU 31 2HB LEU 31 3.019 1.584 1.720 183 HB3 LEU 31 1HB LEU 31 4.120 2.880 1.264 184 HG LEU 31 HG LEU 31 1.750 3.058 3.133 185 HD11 LEU 31 1HD1 LEU 31 4.742 3.352 3.414 186 HD12 LEU 31 2HD1 LEU 31 3.665 2.264 4.291 187 HD13 LEU 31 3HD1 LEU 31 3.626 3.997 4.618 188 HD21 LEU 31 3HD2 LEU 31 1.604 5.096 1.975 189 HD22 LEU 31 1HD2 LEU 31 3.349 5.190 1.731 190 HD23 LEU 31 2HD2 LEU 31 2.665 5.501 3.326 191 H CYS 32 H CYS 32 1.880 0.762 -0.808 192 HA CYS 32 HA CYS 32 3.872 1.404 -2.933 193 HB2 CYS 32 2HB CYS 32 2.809 -1.363 -2.551 194 HB3 CYS 32 1HB CYS 32 4.412 -0.843 -3.057 195 H CYS 33 H CYS 33 1.232 2.479 -3.108 196 HA CYS 33 HA CYS 33 0.189 0.882 -5.407 197 HB2 CYS 33 2HB CYS 33 -1.268 2.300 -3.197 198 HB3 CYS 33 1HB CYS 33 -2.039 2.112 -4.771 199 H GLU 34 H GLU 34 1.085 2.020 -7.098 200 HA GLU 34 HA GLU 34 0.687 4.977 -7.124 201 HB2 GLU 34 2HB GLU 34 2.459 5.070 -8.779 202 HB3 GLU 34 1HB GLU 34 3.032 4.104 -7.419 203 HG2 GLU 34 2HG GLU 34 2.332 2.041 -8.661 204 HG3 GLU 34 1HG GLU 34 1.943 3.060 -10.047 205 H GLN 35 H GLN 35 -0.739 5.803 -8.601 206 HA GLN 35 HA GLN 35 -2.306 5.853 -10.339 207 HB2 GLN 35 2HB GLN 35 -0.539 3.628 -11.402 208 HB3 GLN 35 1HB GLN 35 -1.825 4.412 -12.322 209 HG2 GLN 35 2HG GLN 35 0.422 5.978 -11.043 210 HG3 GLN 35 1HG GLN 35 0.538 5.334 -12.681 211 HE21 GLN 35 1HE2 GLN 35 0.241 8.221 -11.607 212 HE22 GLN 35 2HE2 GLN 35 -1.068 8.847 -12.488 213 H CYS 36 H CYS 36 -2.719 4.191 -7.960 214 HA CYS 36 HA CYS 36 -4.383 2.722 -7.199 215 HB2 CYS 36 2HB CYS 36 -5.272 2.573 -10.091 216 HB3 CYS 36 1HB CYS 36 -6.231 2.195 -8.655 217 H LYS 37 H LYS 37 -1.800 1.913 -8.937 218 HA LYS 37 HA LYS 37 -2.541 -0.987 -9.047 219 HB2 LYS 37 2HB LYS 37 -0.240 0.267 -10.549 220 HB3 LYS 37 1HB LYS 37 -1.017 -1.289 -10.842 221 HG2 LYS 37 2HG LYS 37 -3.166 0.133 -11.255 222 HG3 LYS 37 1HG LYS 37 -2.036 1.471 -11.466 223 HD2 LYS 37 2HD LYS 37 -1.040 -0.793 -12.913 224 HD3 LYS 37 1HD LYS 37 -2.728 -0.539 -13.359 225 HE2 LYS 37 2HE LYS 37 -0.691 1.698 -13.284 226 HE3 LYS 37 1HE LYS 37 -1.042 0.768 -14.740 227 HZ1 LYS 37 3HZ LYS 37 -2.688 2.200 -15.073 228 HZ2 LYS 37 1HZ LYS 37 -2.558 2.854 -13.513 229 HZ3 LYS 37 2HZ LYS 37 -3.496 1.461 -13.773 230 H PHE 38 H PHE 38 -0.470 -2.401 -8.719 231 HA PHE 38 HA PHE 38 0.704 -1.603 -6.165 232 HB2 PHE 38 2HB PHE 38 1.019 -4.025 -7.947 233 HB3 PHE 38 1HB PHE 38 2.011 -3.796 -6.509 234 HD1 PHE 38 2HD PHE 38 0.160 -2.547 -4.618 235 HD2 PHE 38 1HD PHE 38 -0.512 -5.730 -7.422 236 HE1 PHE 38 2HE PHE 38 -1.681 -3.411 -3.198 237 HE2 PHE 38 1HE PHE 38 -2.354 -6.591 -6.002 238 HZ PHE 38 HZ PHE 38 -2.939 -5.431 -3.890 239 H SER 39 H SER 39 2.563 -0.451 -5.966 240 HA SER 39 HA SER 39 4.089 0.422 -8.223 241 HB2 SER 39 2HB SER 39 5.112 0.271 -5.379 242 HB3 SER 39 1HB SER 39 5.582 1.413 -6.635 243 HG SER 39 HG SER 39 3.139 1.860 -6.552 244 H ARG 40 H ARG 40 6.751 -0.168 -6.892 245 HA ARG 40 HA ARG 40 6.966 -3.019 -7.778 246 HB2 ARG 40 2HB ARG 40 9.166 -0.943 -7.940 247 HB3 ARG 40 1HB ARG 40 9.134 -2.538 -8.691 248 HG2 ARG 40 2HG ARG 40 8.395 -1.417 -10.527 249 HG3 ARG 40 1HG ARG 40 6.840 -1.424 -9.693 250 HD2 ARG 40 2HD ARG 40 7.069 0.845 -10.107 251 HD3 ARG 40 1HD ARG 40 7.835 0.737 -8.522 252 HE ARG 40 HE ARG 40 9.165 1.479 -10.953 253 HH11 ARG 40 1HH1 ARG 40 10.005 1.840 -7.992 254 HH12 ARG 40 2HH1 ARG 40 11.505 0.974 -7.991 255 HH21 ARG 40 1HH2 ARG 40 10.898 -0.616 -11.011 256 HH22 ARG 40 2HH2 ARG 40 12.010 -0.415 -9.698 257 H ALA 41 H ALA 41 8.658 -4.263 -6.640 258 HA ALA 41 HA ALA 41 8.665 -3.725 -3.793 259 HB1 ALA 41 1HB ALA 41 10.578 -5.634 -5.121 260 HB2 ALA 41 2HB ALA 41 8.856 -6.008 -5.074 261 HB3 ALA 41 3HB ALA 41 9.752 -5.793 -3.571 262 H GLY 42 H GLY 42 10.824 -3.672 -2.568 263 HA2 GLY 42 2HA GLY 42 12.905 -2.631 -2.183 264 HA3 GLY 42 1HA GLY 42 13.136 -2.585 -3.929 265 H LYS 43 H LYS 43 10.196 -1.271 -2.601 266 HA LYS 43 HA LYS 43 11.145 1.421 -3.466 267 HB2 LYS 43 2HB LYS 43 9.102 1.518 -4.402 268 HB3 LYS 43 1HB LYS 43 8.627 0.015 -3.627 269 HG2 LYS 43 2HG LYS 43 7.075 1.721 -2.910 270 HG3 LYS 43 1HG LYS 43 8.118 1.367 -1.537 271 HD2 LYS 43 2HD LYS 43 8.222 3.683 -1.532 272 HD3 LYS 43 1HD LYS 43 9.584 3.321 -2.594 273 HE2 LYS 43 2HE LYS 43 8.412 4.905 -3.851 274 HE3 LYS 43 1HE LYS 43 7.772 3.393 -4.492 275 HZ1 LYS 43 3HZ LYS 43 6.215 5.331 -3.648 276 HZ2 LYS 43 1HZ LYS 43 6.432 4.536 -2.166 277 HZ3 LYS 43 2HZ LYS 43 5.781 3.696 -3.493 278 H ILE 44 H ILE 44 11.747 2.882 -1.979 279 HA ILE 44 HA ILE 44 11.741 2.340 0.817 280 HB ILE 44 HB ILE 44 13.346 3.892 -0.069 281 HG12 ILE 44 2HG1 ILE 44 12.802 5.971 1.301 282 HG13 ILE 44 1HG1 ILE 44 11.248 5.222 1.667 283 HG21 ILE 44 1HG2 ILE 44 11.038 4.850 -1.505 284 HG22 ILE 44 2HG2 ILE 44 12.744 5.183 -1.804 285 HG23 ILE 44 3HG2 ILE 44 11.832 6.193 -0.682 286 HD11 ILE 44 3HD1 ILE 44 13.416 4.862 3.215 287 HD12 ILE 44 1HD1 ILE 44 13.669 3.543 2.072 288 HD13 ILE 44 2HD1 ILE 44 12.181 3.619 3.016 289 H CYS 45 H CYS 45 9.543 1.804 1.375 290 HA CYS 45 HA CYS 45 7.350 3.636 0.918 291 HB2 CYS 45 2HB CYS 45 6.243 2.252 2.765 292 HB3 CYS 45 1HB CYS 45 6.760 1.359 1.339 293 H ARG 46 H ARG 46 9.725 3.200 3.470 294 HA ARG 46 HA ARG 46 9.111 5.859 4.520 295 HB2 ARG 46 2HB ARG 46 8.262 3.365 5.932 296 HB3 ARG 46 1HB ARG 46 8.911 4.685 6.907 297 HG2 ARG 46 2HG ARG 46 7.269 6.172 5.502 298 HG3 ARG 46 1HG ARG 46 6.448 4.644 5.184 299 HD2 ARG 46 2HD ARG 46 7.071 4.732 7.968 300 HD3 ARG 46 1HD ARG 46 6.309 6.263 7.537 301 HE ARG 46 HE ARG 46 5.061 3.589 7.049 302 HH11 ARG 46 1HH2 ARG 46 4.432 6.513 5.852 303 HH12 ARG 46 2HH2 ARG 46 2.943 6.803 6.688 304 HH21 ARG 46 1HH1 ARG 46 3.358 4.156 8.888 305 HH22 ARG 46 2HH1 ARG 46 2.334 5.467 8.406 306 H ILE 47 H ILE 47 10.734 6.544 6.104 307 HA ILE 47 HA ILE 47 13.315 5.199 5.643 308 HB ILE 47 HB ILE 47 12.963 7.731 5.587 309 HG12 ILE 47 2HG1 ILE 47 15.038 7.453 7.610 310 HG13 ILE 47 1HG1 ILE 47 15.127 6.159 6.415 311 HG21 ILE 47 1HG2 ILE 47 11.807 7.254 8.073 312 HG22 ILE 47 2HG2 ILE 47 12.266 8.833 7.435 313 HG23 ILE 47 3HG2 ILE 47 13.379 7.943 8.474 314 HD11 ILE 47 3HD1 ILE 47 14.601 8.547 4.982 315 HD12 ILE 47 1HD1 ILE 47 16.088 7.597 4.980 316 HD13 ILE 47 2HD1 ILE 47 15.887 8.919 6.129 317 H ALA 48 H ALA 48 14.749 4.705 7.513 318 HA ALA 48 HA ALA 48 13.137 3.706 9.820 319 HB1 ALA 48 1HB ALA 48 15.547 2.708 8.380 320 HB2 ALA 48 2HB ALA 48 14.205 1.806 9.084 321 HB3 ALA 48 3HB ALA 48 15.487 2.431 10.121 322 H ARG 49 H ARG 49 14.197 3.857 11.969 323 HA ARG 49 HA ARG 49 16.286 5.967 12.163 324 HB2 ARG 49 2HB ARG 49 14.873 6.887 14.145 325 HB3 ARG 49 1HB ARG 49 14.384 7.317 12.506 326 HG2 ARG 49 2HG ARG 49 12.710 5.537 12.499 327 HG3 ARG 49 1HG ARG 49 13.238 5.003 14.096 328 HD2 ARG 49 2HD ARG 49 12.417 6.955 15.150 329 HD3 ARG 49 1HD ARG 49 12.303 7.833 13.624 330 HE ARG 49 HE ARG 49 10.557 5.692 13.314 331 HH11 ARG 49 1HH2 ARG 49 10.583 8.820 14.475 332 HH12 ARG 49 2HH2 ARG 49 9.114 8.694 15.384 333 HH21 ARG 49 1HH1 ARG 49 8.835 5.264 14.960 334 HH22 ARG 49 2HH1 ARG 49 8.125 6.681 15.661 335 H GLY 50 H GLY 50 17.881 4.906 13.252 336 HA2 GLY 50 2HA GLY 50 18.179 4.277 15.796 337 HA3 GLY 50 1HA GLY 50 17.119 2.945 15.356 338 H ASP 51 H ASP 51 18.012 2.126 12.980 339 HA ASP 51 HA ASP 51 20.788 2.028 12.498 340 HB2 ASP 51 2HB ASP 51 20.031 0.542 14.818 341 HB3 ASP 51 1HB ASP 51 20.504 -0.601 13.561 342 H TRP 52 H TRP 52 18.110 -0.291 12.754 343 HA TRP 52 HA TRP 52 18.635 -1.912 10.566 344 HB2 TRP 52 2HB TRP 52 16.053 -1.949 10.276 345 HB3 TRP 52 1HB TRP 52 16.720 -2.482 11.818 346 HD1 TRP 52 HD TRP 52 14.935 0.480 10.185 347 HE1 TRP 52 1HE TRP 52 13.900 1.944 12.038 348 HE3 TRP 52 3HE TRP 52 16.871 -1.822 14.312 349 HZ2 TRP 52 2HZ TRP 52 13.895 2.116 14.892 350 HZ3 TRP 52 3HZ TRP 52 16.335 -0.987 16.584 351 HH2 TRP 52 HH TRP 52 14.851 0.978 16.878 352 H ASN 53 H ASN 53 17.948 -1.836 8.318 353 HA ASN 53 HA ASN 53 18.503 0.660 7.036 354 HB2 ASN 53 2HB ASN 53 17.053 -1.725 5.854 355 HB3 ASN 53 1HB ASN 53 17.927 -0.474 4.968 356 HD21 ASN 53 1HD2 ASN 53 18.355 -3.574 5.560 357 HD22 ASN 53 2HD2 ASN 53 20.013 -3.641 5.921 358 H ASP 54 H ASP 54 16.771 1.390 5.235 359 HA ASP 54 HA ASP 54 14.587 2.567 6.707 360 HB2 ASP 54 2HB ASP 54 14.783 2.374 3.695 361 HB3 ASP 54 1HB ASP 54 14.004 3.632 4.655 362 H ASP 55 H ASP 55 12.703 2.118 4.304 363 HA ASP 55 HA ASP 55 11.883 -0.679 4.947 364 HB2 ASP 55 2HB ASP 55 10.017 1.707 4.797 365 HB3 ASP 55 1HB ASP 55 9.555 0.040 5.141 366 H ARG 56 H ARG 56 11.642 -1.804 3.081 367 HA ARG 56 HA ARG 56 11.260 -0.272 0.548 368 HB2 ARG 56 2HB ARG 56 12.069 -3.170 0.818 369 HB3 ARG 56 1HB ARG 56 12.271 -2.106 -0.573 370 HG2 ARG 56 2HG ARG 56 13.518 -1.013 1.827 371 HG3 ARG 56 1HG ARG 56 14.179 -2.590 1.393 372 HD2 ARG 56 2HD ARG 56 14.509 -1.772 -0.939 373 HD3 ARG 56 1HD ARG 56 13.949 -0.179 -0.431 374 HE ARG 56 HE ARG 56 16.036 0.166 0.627 375 HH11 ARG 56 1HH1 ARG 56 16.227 -2.226 2.310 376 HH12 ARG 56 2HH1 ARG 56 17.532 -3.113 1.596 377 HH21 ARG 56 1HH2 ARG 56 17.431 -1.366 -1.397 378 HH22 ARG 56 2HH2 ARG 56 18.214 -2.626 -0.503 379 H CYS 57 H CYS 57 9.479 -0.596 -0.706 380 HA CYS 57 HA CYS 57 7.187 -1.964 0.402 381 HB2 CYS 57 2HB CYS 57 7.816 -0.457 -2.072 382 HB3 CYS 57 1HB CYS 57 6.511 -1.630 -2.200 383 H THR 58 H THR 58 6.255 -3.923 -0.332 384 HA THR 58 HA THR 58 8.127 -5.950 -1.180 385 HB THR 58 HB THR 58 5.394 -6.774 -1.548 386 HG1 THR 58 1HG THR 58 4.777 -5.093 -0.257 387 HG21 THR 58 3HG2 THR 58 7.497 -8.049 -0.789 388 HG22 THR 58 1HG2 THR 58 5.991 -8.413 0.053 389 HG23 THR 58 2HG2 THR 58 7.189 -7.359 0.805 390 H GLY 59 H GLY 59 6.007 -3.783 -2.854 391 HA2 GLY 59 2HA GLY 59 6.068 -3.384 -5.212 392 HA3 GLY 59 1HA GLY 59 6.932 -4.907 -5.422 393 H GLN 60 H GLN 60 4.724 -6.031 -3.505 394 HA GLN 60 HA GLN 60 2.590 -6.260 -5.588 395 HB2 GLN 60 2HB GLN 60 3.690 -8.464 -3.817 396 HB3 GLN 60 1HB GLN 60 2.323 -8.632 -4.920 397 HG2 GLN 60 2HG GLN 60 3.769 -8.078 -6.826 398 HG3 GLN 60 1HG GLN 60 5.140 -7.863 -5.737 399 HE21 GLN 60 1HE2 GLN 60 6.104 -9.682 -7.120 400 HE22 GLN 60 2HE2 GLN 60 5.729 -11.283 -6.697 401 H SER 61 H SER 61 3.317 -5.239 -2.518 402 HA SER 61 HA SER 61 0.560 -5.859 -1.530 403 HB2 SER 61 2HB SER 61 3.084 -6.149 -0.273 404 HB3 SER 61 1HB SER 61 2.282 -4.797 0.522 405 HG SER 61 HG SER 61 0.901 -7.190 -0.041 406 H ALA 62 H ALA 62 -0.787 -4.135 -1.698 407 HA ALA 62 HA ALA 62 -0.166 -1.551 -2.486 408 HB1 ALA 62 1HB ALA 62 -2.470 -1.963 -2.353 409 HB2 ALA 62 2HB ALA 62 -2.219 -0.907 -0.964 410 HB3 ALA 62 3HB ALA 62 -2.351 -2.651 -0.734 411 H ASP 63 H ASP 63 -0.268 -2.759 0.873 412 HA ASP 63 HA ASP 63 0.833 -0.201 1.845 413 HB2 ASP 63 2HB ASP 63 0.447 -2.721 3.469 414 HB3 ASP 63 1HB ASP 63 0.478 -1.050 4.035 415 H CYS 64 H CYS 64 2.744 -0.554 3.516 416 HA CYS 64 HA CYS 64 4.798 -2.186 2.086 417 HB2 CYS 64 2HB CYS 64 5.382 0.155 2.101 418 HB3 CYS 64 1HB CYS 64 5.037 0.283 3.826 419 HA PRO 65 HA PRO 65 4.905 -4.740 5.640 420 HB2 PRO 65 2HB PRO 65 7.071 -6.197 4.811 421 HB3 PRO 65 1HB PRO 65 5.440 -6.462 4.199 422 HG2 PRO 65 2HG PRO 65 7.778 -5.190 2.875 423 HG3 PRO 65 1HG PRO 65 6.370 -5.981 2.149 424 HD2 PRO 65 2HD PRO 65 6.780 -3.194 2.369 425 HD3 PRO 65 1HD PRO 65 5.258 -3.999 1.937 426 H ARG 66 H ARG 66 6.082 -4.703 7.588 427 HA ARG 66 HA ARG 66 8.522 -2.975 7.580 428 HB2 ARG 66 2HB ARG 66 7.916 -2.724 10.072 429 HB3 ARG 66 1HB ARG 66 6.870 -1.913 8.906 430 HG2 ARG 66 2HG ARG 66 5.097 -3.249 9.381 431 HG3 ARG 66 1HG ARG 66 6.098 -4.698 9.475 432 HD2 ARG 66 2HD ARG 66 6.527 -4.428 11.725 433 HD3 ARG 66 1HD ARG 66 6.398 -2.670 11.646 434 HE ARG 66 HE ARG 66 4.288 -4.368 12.427 435 HH11 ARG 66 1HH2 ARG 66 3.166 -4.016 9.751 436 HH12 ARG 66 2HH2 ARG 66 2.316 -2.511 9.863 437 HH21 ARG 66 1HH1 ARG 66 3.954 -1.495 12.746 438 HH22 ARG 66 2HH1 ARG 66 2.762 -1.085 11.558 439 H ASN 67 H ASN 67 10.185 -3.547 9.178 440 HA ASN 67 HA ASN 67 10.652 -6.441 9.229 441 HB2 ASN 67 2HB ASN 67 12.846 -5.837 10.114 442 HB3 ASN 67 1HB ASN 67 12.464 -4.763 8.773 443 HD21 ASN 67 1HD2 ASN 67 13.489 -4.802 12.003 444 HD22 ASN 67 2HD2 ASN 67 13.165 -3.185 12.391 445 HA PRO 68 HA PRO 68 9.338 -7.096 13.376 446 HB2 PRO 68 2HB PRO 68 11.141 -9.022 14.174 447 HB3 PRO 68 1HB PRO 68 9.800 -9.330 13.057 448 HG2 PRO 68 2HG PRO 68 12.706 -9.116 12.492 449 HG3 PRO 68 1HG PRO 68 11.441 -9.930 11.559 450 HD2 PRO 68 2HD PRO 68 12.611 -7.400 10.986 451 HD3 PRO 68 1HD PRO 68 11.207 -8.124 10.183 452 H TRP 69 H TRP 69 11.594 -5.009 12.956 453 HA TRP 69 HA TRP 69 12.473 -4.980 15.801 454 HB2 TRP 69 2HB TRP 69 14.308 -4.113 13.569 455 HB3 TRP 69 1HB TRP 69 14.717 -4.533 15.234 456 HD1 TRP 69 HD TRP 69 13.494 -7.205 15.732 457 HE1 TRP 69 1HE TRP 69 14.101 -9.320 14.402 458 HE3 TRP 69 3HE TRP 69 15.377 -5.066 11.495 459 HZ2 TRP 69 2HZ TRP 69 15.223 -10.019 11.878 460 HZ3 TRP 69 3HZ TRP 69 16.202 -6.490 9.639 461 HH2 TRP 69 HH TRP 69 16.119 -8.960 9.831 462 H ASN 70 H ASN 70 11.023 -3.311 13.230 463 HA ASN 70 HA ASN 70 11.513 -0.711 14.628 464 HB2 ASN 70 2HB ASN 70 12.451 -0.699 12.355 465 HB3 ASN 70 1HB ASN 70 10.890 -1.193 11.698 466 HD21 ASN 70 1HD2 ASN 70 11.798 1.174 10.684 467 HD22 ASN 70 2HD2 ASN 70 10.984 2.495 11.372 468 H GLY 71 H GLY 71 9.699 -0.850 16.002 469 HA2 GLY 71 2HA GLY 71 7.415 0.086 16.127 470 HA3 GLY 71 1HA GLY 71 7.070 -0.705 14.588 Start of MODEL 18 1 H GLY 1 1HT GLY 1 -21.003 -4.427 0.335 2 HA2 GLY 1 1HA GLY 1 -22.544 -4.344 -1.567 3 HA3 GLY 1 2HA GLY 1 -21.389 -3.283 -2.377 4 H LYS 2 H LYS 2 -19.054 -4.230 -2.388 5 HA LYS 2 HA LYS 2 -19.229 -7.169 -2.891 6 HB2 LYS 2 2HB LYS 2 -18.987 -5.775 -4.968 7 HB3 LYS 2 1HB LYS 2 -17.438 -5.212 -4.339 8 HG2 LYS 2 2HG LYS 2 -16.474 -7.039 -5.228 9 HG3 LYS 2 1HG LYS 2 -17.389 -8.020 -4.083 10 HD2 LYS 2 2HD LYS 2 -18.730 -7.059 -6.591 11 HD3 LYS 2 1HD LYS 2 -17.650 -8.451 -6.666 12 HE2 LYS 2 2HE LYS 2 -19.036 -9.775 -5.384 13 HE3 LYS 2 1HE LYS 2 -19.681 -8.406 -4.480 14 HZ1 LYS 2 3HZ LYS 2 -21.296 -8.076 -5.972 15 HZ2 LYS 2 1HZ LYS 2 -20.981 -9.672 -6.455 16 HZ3 LYS 2 2HZ LYS 2 -20.283 -8.375 -7.304 17 H GLU 3 H GLU 3 -16.697 -4.698 -2.503 18 HA GLU 3 HA GLU 3 -15.644 -6.133 -0.197 19 HB2 GLU 3 2HB GLU 3 -14.636 -6.736 -2.761 20 HB3 GLU 3 1HB GLU 3 -13.399 -5.788 -1.933 21 HG2 GLU 3 2HG GLU 3 -13.355 -7.312 -0.076 22 HG3 GLU 3 1HG GLU 3 -14.790 -8.158 -0.659 23 H CYS 4 H CYS 4 -14.412 -4.802 1.167 24 HA CYS 4 HA CYS 4 -14.237 -2.002 0.196 25 HB2 CYS 4 2HB CYS 4 -13.938 -3.049 3.029 26 HB3 CYS 4 1HB CYS 4 -14.026 -1.356 2.546 27 H ASP 5 H ASP 5 -12.326 -1.722 -0.833 28 HA ASP 5 HA ASP 5 -9.865 -2.899 0.368 29 HB2 ASP 5 2HB ASP 5 -10.641 -2.979 -2.203 30 HB3 ASP 5 1HB ASP 5 -9.791 -1.432 -2.231 31 H CYS 6 H CYS 6 -11.567 0.055 -0.072 32 HA CYS 6 HA CYS 6 -9.165 1.577 0.861 33 HB2 CYS 6 2HB CYS 6 -10.273 3.566 -0.195 34 HB3 CYS 6 1HB CYS 6 -9.827 2.321 -1.362 35 H SER 7 H SER 7 -9.541 3.116 2.535 36 HA SER 7 HA SER 7 -12.000 2.560 4.109 37 HB2 SER 7 2HB SER 7 -9.558 2.502 5.045 38 HB3 SER 7 1HB SER 7 -9.699 4.258 5.055 39 HG SER 7 HG SER 7 -11.819 2.783 6.105 40 H SER 8 H SER 8 -11.135 4.683 1.764 41 HA SER 8 HA SER 8 -12.690 6.905 3.030 42 HB2 SER 8 2HB SER 8 -10.608 7.158 0.844 43 HB3 SER 8 1HB SER 8 -11.426 8.476 1.677 44 HG SER 8 HG SER 8 -9.189 7.351 2.363 45 HA PRO 9 HA PRO 9 -15.452 5.922 -0.336 46 HB2 PRO 9 2HB PRO 9 -17.367 7.770 0.352 47 HB3 PRO 9 1HB PRO 9 -17.186 6.201 1.156 48 HG2 PRO 9 2HG PRO 9 -16.435 8.912 2.143 49 HG3 PRO 9 1HG PRO 9 -16.862 7.461 3.064 50 HD2 PRO 9 2HD PRO 9 -14.240 8.442 2.639 51 HD3 PRO 9 1HD PRO 9 -14.666 6.835 3.267 52 H GLU 10 H GLU 10 -13.679 8.760 0.176 53 HA GLU 10 HA GLU 10 -14.816 10.182 -2.167 54 HB2 GLU 10 2HB GLU 10 -13.853 11.158 0.171 55 HB3 GLU 10 1HB GLU 10 -12.384 11.211 -0.803 56 HG2 GLU 10 2HG GLU 10 -13.315 13.277 -1.319 57 HG3 GLU 10 1HG GLU 10 -13.992 12.280 -2.609 58 H ASN 11 H ASN 11 -13.343 7.598 -2.327 59 HA ASN 11 HA ASN 11 -10.945 8.449 -3.881 60 HB2 ASN 11 2HB ASN 11 -10.932 6.708 -1.907 61 HB3 ASN 11 1HB ASN 11 -11.553 5.609 -3.133 62 HD21 ASN 11 1HD2 ASN 11 -9.083 4.956 -2.152 63 HD22 ASN 11 2HD2 ASN 11 -7.861 5.336 -3.266 64 HA PRO 12 HA PRO 12 -13.516 7.338 -7.379 65 HB2 PRO 12 2HB PRO 12 -11.712 8.176 -9.279 66 HB3 PRO 12 1HB PRO 12 -12.796 9.270 -8.403 67 HG2 PRO 12 2HG PRO 12 -9.866 8.846 -8.045 68 HG3 PRO 12 1HG PRO 12 -10.843 10.280 -7.692 69 HD2 PRO 12 2HD PRO 12 -9.909 8.404 -5.793 70 HD3 PRO 12 1HD PRO 12 -11.152 9.641 -5.513 71 H CYS 13 H CYS 13 -10.369 6.145 -6.566 72 HA CYS 13 HA CYS 13 -10.099 4.310 -8.799 73 HB2 CYS 13 2HB CYS 13 -8.269 5.252 -7.189 74 HB3 CYS 13 1HB CYS 13 -8.771 3.937 -6.125 75 H CYS 14 H CYS 14 -11.261 4.062 -5.445 76 HA CYS 14 HA CYS 14 -12.091 1.254 -6.017 77 HB2 CYS 14 2HB CYS 14 -12.203 0.936 -3.631 78 HB3 CYS 14 1HB CYS 14 -10.675 1.746 -3.979 79 H ASP 15 H ASP 15 -14.165 0.776 -6.248 80 HA ASP 15 HA ASP 15 -16.222 2.716 -6.474 81 HB2 ASP 15 2HB ASP 15 -15.976 0.071 -7.086 82 HB3 ASP 15 1HB ASP 15 -17.003 -0.020 -5.656 83 H ALA 16 H ALA 16 -17.229 3.829 -4.856 84 HA ALA 16 HA ALA 16 -16.767 3.218 -2.070 85 HB1 ALA 16 1HB ALA 16 -18.970 4.893 -2.114 86 HB2 ALA 16 2HB ALA 16 -18.154 5.285 -3.627 87 HB3 ALA 16 3HB ALA 16 -17.289 5.425 -2.097 88 H ALA 17 H ALA 17 -19.593 2.845 -4.224 89 HA ALA 17 HA ALA 17 -21.453 1.841 -2.382 90 HB1 ALA 17 1HB ALA 17 -20.984 1.521 -5.292 91 HB2 ALA 17 2HB ALA 17 -22.465 1.944 -4.431 92 HB3 ALA 17 3HB ALA 17 -21.960 0.257 -4.540 93 H THR 18 H THR 18 -19.114 -0.073 -4.306 94 HA THR 18 HA THR 18 -19.540 -2.354 -2.455 95 HB THR 18 HB THR 18 -18.476 -3.705 -4.089 96 HG1 THR 18 1HG THR 18 -17.721 -1.745 -5.828 97 HG21 THR 18 3HG2 THR 18 -20.047 -3.516 -5.717 98 HG22 THR 18 1HG2 THR 18 -19.604 -1.848 -6.078 99 HG23 THR 18 2HG2 THR 18 -20.675 -2.201 -4.722 100 H CYS 19 H CYS 19 -17.791 0.320 -2.319 101 HA CYS 19 HA CYS 19 -15.760 1.009 -1.452 102 HB2 CYS 19 2HB CYS 19 -15.049 -0.304 0.618 103 HB3 CYS 19 1HB CYS 19 -16.650 0.413 0.632 104 H LYS 20 H LYS 20 -15.519 -1.337 -3.607 105 HA LYS 20 HA LYS 20 -12.641 -1.709 -2.878 106 HB2 LYS 20 2HB LYS 20 -12.875 -3.853 -4.428 107 HB3 LYS 20 1HB LYS 20 -13.150 -3.919 -2.701 108 HG2 LYS 20 2HG LYS 20 -15.066 -4.955 -3.370 109 HG3 LYS 20 1HG LYS 20 -15.638 -3.300 -3.498 110 HD2 LYS 20 2HD LYS 20 -14.364 -4.824 -5.784 111 HD3 LYS 20 1HD LYS 20 -16.105 -4.709 -5.538 112 HE2 LYS 20 2HE LYS 20 -15.395 -2.081 -5.384 113 HE3 LYS 20 1HE LYS 20 -14.207 -2.681 -6.538 114 HZ1 LYS 20 3HZ LYS 20 -15.833 -3.341 -8.011 115 HZ2 LYS 20 1HZ LYS 20 -16.488 -1.904 -7.395 116 HZ3 LYS 20 2HZ LYS 20 -17.047 -3.404 -6.825 117 H LEU 21 H LEU 21 -11.381 -2.465 -4.983 118 HA LEU 21 HA LEU 21 -11.365 -0.236 -6.726 119 HB2 LEU 21 2HB LEU 21 -10.180 -2.994 -6.914 120 HB3 LEU 21 1HB LEU 21 -9.973 -1.818 -8.214 121 HG LEU 21 HG LEU 21 -9.470 -0.456 -5.772 122 HD11 LEU 21 1HD1 LEU 21 -8.087 -1.781 -4.520 123 HD12 LEU 21 2HD1 LEU 21 -7.490 -2.659 -5.926 124 HD13 LEU 21 3HD1 LEU 21 -9.055 -3.074 -5.229 125 HD21 LEU 21 3HD2 LEU 21 -7.978 0.396 -7.225 126 HD22 LEU 21 1HD2 LEU 21 -8.300 -0.928 -8.344 127 HD23 LEU 21 2HD2 LEU 21 -7.044 -1.097 -7.117 128 H ARG 22 H ARG 22 -12.747 0.318 -8.287 129 HA ARG 22 HA ARG 22 -14.720 -1.583 -9.281 130 HB2 ARG 22 2HB ARG 22 -15.742 0.462 -9.190 131 HB3 ARG 22 1HB ARG 22 -14.245 1.343 -9.461 132 HG2 ARG 22 2HG ARG 22 -15.755 1.635 -11.374 133 HG3 ARG 22 1HG ARG 22 -14.333 0.714 -11.866 134 HD2 ARG 22 2HD ARG 22 -15.782 -0.828 -12.662 135 HD3 ARG 22 1HD ARG 22 -16.092 -1.244 -10.976 136 HE ARG 22 HE ARG 22 -17.872 0.719 -11.233 137 HH11 ARG 22 1HH1 ARG 22 -17.731 0.910 -14.152 138 HH12 ARG 22 2HH1 ARG 22 -18.900 -0.251 -14.687 139 HH21 ARG 22 1HH2 ARG 22 -19.048 -1.901 -11.640 140 HH22 ARG 22 2HH2 ARG 22 -19.646 -1.843 -13.265 141 HA PRO 23 HA PRO 23 -12.249 -0.983 -13.329 142 HB2 PRO 23 2HB PRO 23 -9.867 0.379 -13.176 143 HB3 PRO 23 1HB PRO 23 -11.424 1.159 -13.508 144 HG2 PRO 23 2HG PRO 23 -9.807 1.192 -11.006 145 HG3 PRO 23 1HG PRO 23 -10.986 2.375 -11.596 146 HD2 PRO 23 2HD PRO 23 -11.435 0.422 -9.590 147 HD3 PRO 23 1HD PRO 23 -12.675 1.409 -10.391 148 H GLY 24 H GLY 24 -9.522 -1.354 -13.893 149 HA2 GLY 24 2HA GLY 24 -9.040 -3.934 -12.544 150 HA3 GLY 24 1HA GLY 24 -8.182 -3.330 -13.962 151 H ALA 25 H ALA 25 -8.538 -1.091 -11.369 152 HA ALA 25 HA ALA 25 -5.688 -0.856 -11.021 153 HB1 ALA 25 1HB ALA 25 -6.604 0.431 -8.853 154 HB2 ALA 25 2HB ALA 25 -8.120 0.330 -9.748 155 HB3 ALA 25 3HB ALA 25 -6.724 1.135 -10.466 156 H GLN 26 H GLN 26 -4.353 -1.739 -9.412 157 HA GLN 26 HA GLN 26 -5.334 -4.136 -8.089 158 HB2 GLN 26 2HB GLN 26 -2.756 -2.839 -8.575 159 HB3 GLN 26 1HB GLN 26 -2.862 -3.557 -6.967 160 HG2 GLN 26 2HG GLN 26 -2.080 -5.316 -8.353 161 HG3 GLN 26 1HG GLN 26 -3.802 -5.642 -8.153 162 HE21 GLN 26 1HE2 GLN 26 -1.362 -4.464 -10.451 163 HE22 GLN 26 2HE2 GLN 26 -2.353 -4.572 -11.824 164 H CYS 27 H CYS 27 -4.607 -0.825 -7.083 165 HA CYS 27 HA CYS 27 -6.098 -1.292 -4.590 166 HB2 CYS 27 2HB CYS 27 -4.094 -0.112 -3.357 167 HB3 CYS 27 1HB CYS 27 -4.064 -1.856 -3.616 168 H GLY 28 H GLY 28 -6.722 0.720 -3.562 169 HA2 GLY 28 2HA GLY 28 -6.730 2.968 -5.494 170 HA3 GLY 28 1HA GLY 28 -7.832 2.788 -4.135 171 H GLU 29 H GLU 29 -5.694 2.127 -2.243 172 HA GLU 29 HA GLU 29 -4.029 4.568 -2.258 173 HB2 GLU 29 2HB GLU 29 -4.839 5.365 -0.168 174 HB3 GLU 29 1HB GLU 29 -6.259 5.062 -1.153 175 HG2 GLU 29 2HG GLU 29 -7.031 3.520 0.294 176 HG3 GLU 29 1HG GLU 29 -5.484 2.674 0.312 177 H GLY 30 H GLY 30 -2.424 4.506 -0.410 178 HA2 GLY 30 2HA GLY 30 -1.773 2.646 1.401 179 HA3 GLY 30 1HA GLY 30 -1.487 1.718 -0.072 180 H LEU 31 H LEU 31 0.795 1.690 0.747 181 HA LEU 31 HA LEU 31 2.214 4.279 0.325 182 HB2 LEU 31 2HB LEU 31 3.064 1.697 1.662 183 HB3 LEU 31 1HB LEU 31 4.150 3.059 1.388 184 HG LEU 31 HG LEU 31 2.183 4.409 2.563 185 HD11 LEU 31 1HD1 LEU 31 0.911 3.163 4.104 186 HD12 LEU 31 2HD1 LEU 31 1.983 1.765 3.996 187 HD13 LEU 31 3HD1 LEU 31 0.898 2.151 2.659 188 HD21 LEU 31 3HD2 LEU 31 4.660 3.851 3.257 189 HD22 LEU 31 1HD2 LEU 31 3.892 2.710 4.360 190 HD23 LEU 31 2HD2 LEU 31 3.528 4.431 4.478 191 H CYS 32 H CYS 32 1.632 1.215 -1.125 192 HA CYS 32 HA CYS 32 3.907 1.717 -2.998 193 HB2 CYS 32 2HB CYS 32 2.649 -0.988 -2.617 194 HB3 CYS 32 1HB CYS 32 4.251 -0.592 -3.231 195 H CYS 33 H CYS 33 0.861 2.453 -2.979 196 HA CYS 33 HA CYS 33 0.141 1.083 -5.519 197 HB2 CYS 33 2HB CYS 33 -1.454 1.409 -3.435 198 HB3 CYS 33 1HB CYS 33 -1.727 2.989 -4.162 199 H GLU 34 H GLU 34 1.394 2.192 -7.024 200 HA GLU 34 HA GLU 34 1.063 5.145 -7.184 201 HB2 GLU 34 2HB GLU 34 3.021 3.201 -8.431 202 HB3 GLU 34 1HB GLU 34 2.876 4.870 -8.987 203 HG2 GLU 34 2HG GLU 34 3.496 5.735 -6.842 204 HG3 GLU 34 1HG GLU 34 3.342 4.149 -6.086 205 H GLN 35 H GLN 35 -0.456 5.877 -8.594 206 HA GLN 35 HA GLN 35 -1.881 5.947 -10.457 207 HB2 GLN 35 2HB GLN 35 0.400 4.302 -11.351 208 HB3 GLN 35 1HB GLN 35 -1.106 3.981 -12.212 209 HG2 GLN 35 2HG GLN 35 -0.852 6.811 -11.905 210 HG3 GLN 35 1HG GLN 35 0.671 6.193 -12.544 211 HE21 GLN 35 1HE2 GLN 35 -2.878 5.767 -13.090 212 HE22 GLN 35 2HE2 GLN 35 -2.746 5.623 -14.776 213 H CYS 36 H CYS 36 -2.277 4.203 -8.127 214 HA CYS 36 HA CYS 36 -3.846 2.624 -7.416 215 HB2 CYS 36 2HB CYS 36 -4.774 3.151 -10.229 216 HB3 CYS 36 1HB CYS 36 -5.507 1.878 -9.266 217 H LYS 37 H LYS 37 -1.223 1.817 -8.541 218 HA LYS 37 HA LYS 37 -1.975 -0.999 -9.176 219 HB2 LYS 37 2HB LYS 37 -0.457 0.874 -10.822 220 HB3 LYS 37 1HB LYS 37 0.462 -0.590 -10.464 221 HG2 LYS 37 2HG LYS 37 -1.027 -1.966 -11.572 222 HG3 LYS 37 1HG LYS 37 -2.401 -0.903 -11.263 223 HD2 LYS 37 2HD LYS 37 -0.276 0.276 -12.944 224 HD3 LYS 37 1HD LYS 37 -1.130 -1.085 -13.674 225 HE2 LYS 37 2HE LYS 37 -3.297 0.070 -13.019 226 HE3 LYS 37 1HE LYS 37 -2.326 1.483 -12.610 227 HZ1 LYS 37 3HZ LYS 37 -2.662 0.197 -15.251 228 HZ2 LYS 37 1HZ LYS 37 -1.385 1.265 -14.931 229 HZ3 LYS 37 2HZ LYS 37 -2.992 1.804 -14.813 230 H PHE 38 H PHE 38 -0.330 -2.558 -8.508 231 HA PHE 38 HA PHE 38 0.964 -1.763 -6.016 232 HB2 PHE 38 2HB PHE 38 0.829 -4.333 -7.594 233 HB3 PHE 38 1HB PHE 38 1.848 -4.181 -6.164 234 HD1 PHE 38 2HD PHE 38 0.221 -2.427 -4.434 235 HD2 PHE 38 1HD PHE 38 -0.951 -5.723 -6.922 236 HE1 PHE 38 2HE PHE 38 -1.751 -2.823 -2.982 237 HE2 PHE 38 1HE PHE 38 -2.923 -6.119 -5.472 238 HZ PHE 38 HZ PHE 38 -3.322 -4.668 -3.501 239 H SER 39 H SER 39 2.870 -0.643 -6.106 240 HA SER 39 HA SER 39 4.598 -0.564 -8.374 241 HB2 SER 39 2HB SER 39 5.385 -0.123 -5.477 242 HB3 SER 39 1HB SER 39 6.217 0.497 -6.900 243 HG SER 39 HG SER 39 4.797 2.044 -7.025 244 H ARG 40 H ARG 40 7.147 -1.234 -7.587 245 HA ARG 40 HA ARG 40 6.910 -4.187 -7.444 246 HB2 ARG 40 2HB ARG 40 8.490 -2.536 -8.998 247 HB3 ARG 40 1HB ARG 40 9.607 -3.048 -7.732 248 HG2 ARG 40 2HG ARG 40 9.848 -5.001 -8.823 249 HG3 ARG 40 1HG ARG 40 8.164 -5.361 -8.442 250 HD2 ARG 40 2HD ARG 40 7.433 -4.821 -10.541 251 HD3 ARG 40 1HD ARG 40 8.610 -3.520 -10.727 252 HE ARG 40 HE ARG 40 8.946 -6.180 -11.712 253 HH11 ARG 40 1HH1 ARG 40 10.496 -3.262 -11.263 254 HH12 ARG 40 2HH1 ARG 40 12.106 -3.904 -11.254 255 HH21 ARG 40 1HH2 ARG 40 11.068 -7.212 -11.156 256 HH22 ARG 40 2HH2 ARG 40 12.428 -6.140 -11.192 257 H ALA 41 H ALA 41 8.669 -5.300 -6.089 258 HA ALA 41 HA ALA 41 8.494 -4.295 -3.365 259 HB1 ALA 41 1HB ALA 41 10.450 -6.438 -4.013 260 HB2 ALA 41 2HB ALA 41 8.765 -6.781 -4.403 261 HB3 ALA 41 3HB ALA 41 9.223 -6.381 -2.748 262 H GLY 42 H GLY 42 10.586 -4.197 -2.019 263 HA2 GLY 42 2HA GLY 42 12.698 -3.228 -1.649 264 HA3 GLY 42 1HA GLY 42 13.033 -3.450 -3.366 265 H LYS 43 H LYS 43 10.112 -1.777 -2.502 266 HA LYS 43 HA LYS 43 11.304 0.699 -3.646 267 HB2 LYS 43 2HB LYS 43 9.297 0.861 -4.655 268 HB3 LYS 43 1HB LYS 43 8.707 -0.533 -3.764 269 HG2 LYS 43 2HG LYS 43 7.217 1.250 -3.200 270 HG3 LYS 43 1HG LYS 43 8.279 1.102 -1.813 271 HD2 LYS 43 2HD LYS 43 8.390 3.391 -2.168 272 HD3 LYS 43 1HD LYS 43 9.740 2.857 -3.171 273 HE2 LYS 43 2HE LYS 43 8.320 2.877 -5.158 274 HE3 LYS 43 1HE LYS 43 6.914 3.298 -4.180 275 HZ1 LYS 43 3HZ LYS 43 8.113 5.333 -3.506 276 HZ2 LYS 43 1HZ LYS 43 7.779 5.274 -5.168 277 HZ3 LYS 43 2HZ LYS 43 9.348 4.943 -4.606 278 H ILE 44 H ILE 44 11.773 2.458 -2.386 279 HA ILE 44 HA ILE 44 11.679 2.235 0.465 280 HB ILE 44 HB ILE 44 12.501 4.286 -1.508 281 HG12 ILE 44 2HG1 ILE 44 14.064 2.775 -0.359 282 HG13 ILE 44 1HG1 ILE 44 14.382 4.450 0.103 283 HG21 ILE 44 1HG2 ILE 44 12.663 5.978 0.445 284 HG22 ILE 44 2HG2 ILE 44 11.403 5.011 1.211 285 HG23 ILE 44 3HG2 ILE 44 11.094 5.796 -0.338 286 HD11 ILE 44 3HD1 ILE 44 14.260 3.635 2.229 287 HD12 ILE 44 1HD1 ILE 44 13.344 2.212 1.734 288 HD13 ILE 44 2HD1 ILE 44 12.520 3.753 1.970 289 H CYS 45 H CYS 45 9.755 2.082 1.453 290 HA CYS 45 HA CYS 45 7.482 3.747 0.526 291 HB2 CYS 45 2HB CYS 45 6.287 2.405 2.424 292 HB3 CYS 45 1HB CYS 45 6.689 1.580 0.927 293 H ARG 46 H ARG 46 9.651 3.303 3.208 294 HA ARG 46 HA ARG 46 9.013 5.979 4.216 295 HB2 ARG 46 2HB ARG 46 7.756 3.626 5.371 296 HB3 ARG 46 1HB ARG 46 8.756 4.462 6.560 297 HG2 ARG 46 2HG ARG 46 7.575 6.510 6.263 298 HG3 ARG 46 1HG ARG 46 6.788 5.928 4.794 299 HD2 ARG 46 2HD ARG 46 5.059 5.283 6.089 300 HD3 ARG 46 1HD ARG 46 6.120 4.037 6.749 301 HE ARG 46 HE ARG 46 5.299 6.477 8.111 302 HH11 ARG 46 1HH2 ARG 46 5.875 3.768 9.365 303 HH12 ARG 46 2HH2 ARG 46 7.328 4.105 10.247 304 HH21 ARG 46 1HH1 ARG 46 7.986 7.059 8.555 305 HH22 ARG 46 2HH1 ARG 46 8.521 5.967 9.788 306 H ILE 47 H ILE 47 10.174 5.894 6.679 307 HA ILE 47 HA ILE 47 12.881 4.726 6.166 308 HB ILE 47 HB ILE 47 12.877 7.195 5.893 309 HG12 ILE 47 2HG1 ILE 47 14.521 7.589 7.938 310 HG13 ILE 47 1HG1 ILE 47 14.333 5.848 8.143 311 HG21 ILE 47 1HG2 ILE 47 12.404 8.616 7.846 312 HG22 ILE 47 2HG2 ILE 47 11.984 7.189 8.794 313 HG23 ILE 47 3HG2 ILE 47 10.984 7.661 7.421 314 HD11 ILE 47 3HD1 ILE 47 15.746 7.348 6.036 315 HD12 ILE 47 1HD1 ILE 47 14.725 6.041 5.436 316 HD13 ILE 47 2HD1 ILE 47 15.999 5.698 6.605 317 H ALA 48 H ALA 48 13.817 3.674 7.926 318 HA ALA 48 HA ALA 48 12.031 2.976 10.123 319 HB1 ALA 48 1HB ALA 48 14.981 2.338 9.906 320 HB2 ALA 48 2HB ALA 48 13.743 1.427 9.042 321 HB3 ALA 48 3HB ALA 48 13.748 1.455 10.805 322 H ARG 49 H ARG 49 12.087 3.763 12.205 323 HA ARG 49 HA ARG 49 13.756 6.154 12.672 324 HB2 ARG 49 2HB ARG 49 11.292 4.991 13.839 325 HB3 ARG 49 1HB ARG 49 12.353 5.810 14.985 326 HG2 ARG 49 2HG ARG 49 11.633 7.105 12.360 327 HG3 ARG 49 1HG ARG 49 10.559 7.232 13.754 328 HD2 ARG 49 2HD ARG 49 13.474 8.066 13.679 329 HD3 ARG 49 1HD ARG 49 12.087 9.154 13.683 330 HE ARG 49 HE ARG 49 13.143 7.703 15.998 331 HH11 ARG 49 1HH1 ARG 49 11.558 10.442 15.230 332 HH12 ARG 49 2HH1 ARG 49 10.293 10.307 16.406 333 HH21 ARG 49 1HH2 ARG 49 11.037 7.022 17.223 334 HH22 ARG 49 2HH2 ARG 49 9.999 8.372 17.533 335 H GLY 50 H GLY 50 15.776 5.789 13.452 336 HA2 GLY 50 2HA GLY 50 16.660 4.955 15.815 337 HA3 GLY 50 1HA GLY 50 16.269 3.385 15.120 338 H ASP 51 H ASP 51 17.600 2.559 13.482 339 HA ASP 51 HA ASP 51 19.486 3.957 11.936 340 HB2 ASP 51 2HB ASP 51 20.273 3.697 14.713 341 HB3 ASP 51 1HB ASP 51 21.410 2.849 13.665 342 H TRP 52 H TRP 52 18.007 1.870 11.210 343 HA TRP 52 HA TRP 52 19.949 -0.398 11.109 344 HB2 TRP 52 2HB TRP 52 17.420 -1.505 10.621 345 HB3 TRP 52 1HB TRP 52 18.397 -1.716 12.069 346 HD1 TRP 52 HD TRP 52 15.620 0.546 10.661 347 HE1 TRP 52 1HE TRP 52 14.320 1.559 12.644 348 HE3 TRP 52 3HE TRP 52 18.444 -1.187 14.544 349 HZ2 TRP 52 2HZ TRP 52 14.458 1.622 15.501 350 HZ3 TRP 52 3HZ TRP 52 17.840 -0.639 16.885 351 HH2 TRP 52 HH TRP 52 15.851 0.763 17.368 352 H ASN 53 H ASN 53 16.870 -0.187 9.443 353 HA ASN 53 HA ASN 53 18.225 0.541 6.913 354 HB2 ASN 53 2HB ASN 53 18.131 -2.058 7.371 355 HB3 ASN 53 1HB ASN 53 16.444 -1.874 6.889 356 HD21 ASN 53 1HD2 ASN 53 19.400 -0.214 5.651 357 HD22 ASN 53 2HD2 ASN 53 19.170 -0.694 4.040 358 H ASP 54 H ASP 54 16.793 1.488 5.416 359 HA ASP 54 HA ASP 54 14.403 2.659 6.465 360 HB2 ASP 54 2HB ASP 54 15.304 2.319 3.587 361 HB3 ASP 54 1HB ASP 54 13.996 3.378 4.119 362 H ASP 55 H ASP 55 12.325 2.370 4.826 363 HA ASP 55 HA ASP 55 11.593 -0.488 5.168 364 HB2 ASP 55 2HB ASP 55 9.763 1.782 4.363 365 HB3 ASP 55 1HB ASP 55 9.317 0.229 5.072 366 H ARG 56 H ARG 56 10.645 -1.677 3.406 367 HA ARG 56 HA ARG 56 11.057 -0.468 0.701 368 HB2 ARG 56 2HB ARG 56 11.763 -3.319 1.444 369 HB3 ARG 56 1HB ARG 56 12.057 -2.514 -0.095 370 HG2 ARG 56 2HG ARG 56 13.183 -0.976 2.087 371 HG3 ARG 56 1HG ARG 56 13.808 -2.625 2.099 372 HD2 ARG 56 2HD ARG 56 14.152 -2.296 -0.447 373 HD3 ARG 56 1HD ARG 56 13.966 -0.576 -0.106 374 HE ARG 56 HE ARG 56 15.907 -1.807 1.658 375 HH11 ARG 56 1HH2 ARG 56 16.304 -2.319 -1.463 376 HH12 ARG 56 2HH2 ARG 56 17.529 -1.133 -1.768 377 HH21 ARG 56 1HH1 ARG 56 17.079 0.497 1.259 378 HH22 ARG 56 2HH1 ARG 56 17.967 0.461 -0.226 379 H CYS 57 H CYS 57 9.246 -0.636 -0.503 380 HA CYS 57 HA CYS 57 6.858 -1.880 0.404 381 HB2 CYS 57 2HB CYS 57 7.827 -0.816 -2.213 382 HB3 CYS 57 1HB CYS 57 6.373 -1.808 -2.213 383 H THR 58 H THR 58 5.906 -3.868 -0.157 384 HA THR 58 HA THR 58 7.753 -6.048 -0.667 385 HB THR 58 HB THR 58 5.028 -6.864 -1.009 386 HG1 THR 58 1HG THR 58 4.038 -5.890 0.636 387 HG21 THR 58 3HG2 THR 58 6.590 -8.349 -0.031 388 HG22 THR 58 1HG2 THR 58 5.537 -7.875 1.303 389 HG23 THR 58 2HG2 THR 58 7.132 -7.141 1.135 390 H GLY 59 H GLY 59 5.785 -3.995 -2.625 391 HA2 GLY 59 2HA GLY 59 5.945 -3.853 -5.011 392 HA3 GLY 59 1HA GLY 59 6.693 -5.451 -5.030 393 H GLN 60 H GLN 60 4.335 -6.149 -3.068 394 HA GLN 60 HA GLN 60 2.286 -6.495 -5.220 395 HB2 GLN 60 2HB GLN 60 3.098 -8.496 -3.091 396 HB3 GLN 60 1HB GLN 60 1.785 -8.719 -4.247 397 HG2 GLN 60 2HG GLN 60 3.388 -8.538 -6.113 398 HG3 GLN 60 1HG GLN 60 4.705 -8.310 -4.960 399 HE21 GLN 60 1HE2 GLN 60 5.677 -10.348 -5.829 400 HE22 GLN 60 2HE2 GLN 60 5.062 -11.850 -5.328 401 H SER 61 H SER 61 2.969 -5.370 -2.077 402 HA SER 61 HA SER 61 0.076 -5.497 -1.341 403 HB2 SER 61 2HB SER 61 2.169 -6.246 0.187 404 HB3 SER 61 1HB SER 61 2.091 -4.543 0.629 405 HG SER 61 HG SER 61 0.242 -6.603 1.019 406 H ALA 62 H ALA 62 -1.069 -3.602 -1.066 407 HA ALA 62 HA ALA 62 -0.088 -1.192 -2.272 408 HB1 ALA 62 1HB ALA 62 -2.362 -1.057 -2.305 409 HB2 ALA 62 2HB ALA 62 -2.173 -0.343 -0.704 410 HB3 ALA 62 3HB ALA 62 -2.535 -2.062 -0.866 411 H ASP 63 H ASP 63 -0.494 -2.162 1.138 412 HA ASP 63 HA ASP 63 0.621 0.364 2.104 413 HB2 ASP 63 2HB ASP 63 0.317 -2.179 3.708 414 HB3 ASP 63 1HB ASP 63 0.285 -0.513 4.286 415 H CYS 64 H CYS 64 2.500 -0.053 3.873 416 HA CYS 64 HA CYS 64 4.610 -1.625 2.452 417 HB2 CYS 64 2HB CYS 64 5.325 0.588 2.214 418 HB3 CYS 64 1HB CYS 64 4.666 1.078 3.769 419 HA PRO 65 HA PRO 65 4.917 -3.874 6.198 420 HB2 PRO 65 2HB PRO 65 7.121 -5.303 5.430 421 HB3 PRO 65 1HB PRO 65 5.490 -5.676 4.873 422 HG2 PRO 65 2HG PRO 65 7.754 -4.429 3.407 423 HG3 PRO 65 1HG PRO 65 6.356 -5.312 2.771 424 HD2 PRO 65 2HD PRO 65 6.690 -2.498 2.795 425 HD3 PRO 65 1HD PRO 65 5.194 -3.383 2.424 426 H ARG 66 H ARG 66 6.279 -3.826 8.083 427 HA ARG 66 HA ARG 66 8.717 -2.109 7.852 428 HB2 ARG 66 2HB ARG 66 8.023 -1.450 10.310 429 HB3 ARG 66 1HB ARG 66 7.278 -0.631 8.936 430 HG2 ARG 66 2HG ARG 66 5.258 -1.734 9.193 431 HG3 ARG 66 1HG ARG 66 6.005 -3.143 9.946 432 HD2 ARG 66 2HD ARG 66 6.389 -1.898 12.004 433 HD3 ARG 66 1HD ARG 66 5.783 -0.419 11.258 434 HE ARG 66 HE ARG 66 3.590 -1.870 10.999 435 HH11 ARG 66 1HH2 ARG 66 4.856 -0.532 13.676 436 HH12 ARG 66 2HH2 ARG 66 4.182 -1.636 14.828 437 HH21 ARG 66 1HH1 ARG 66 3.151 -3.920 12.432 438 HH22 ARG 66 2HH1 ARG 66 3.217 -3.554 14.123 439 H ASN 67 H ASN 67 10.253 -2.459 9.677 440 HA ASN 67 HA ASN 67 10.632 -5.302 10.155 441 HB2 ASN 67 2HB ASN 67 12.112 -2.784 10.689 442 HB3 ASN 67 1HB ASN 67 12.429 -4.111 11.807 443 HD21 ASN 67 1HD2 ASN 67 14.534 -4.657 10.987 444 HD22 ASN 67 2HD2 ASN 67 14.774 -5.275 9.424 445 HA PRO 68 HA PRO 68 8.780 -5.598 14.132 446 HB2 PRO 68 2HB PRO 68 10.531 -7.263 15.438 447 HB3 PRO 68 1HB PRO 68 9.435 -7.811 14.158 448 HG2 PRO 68 2HG PRO 68 12.379 -7.375 14.040 449 HG3 PRO 68 1HG PRO 68 11.363 -8.443 13.058 450 HD2 PRO 68 2HD PRO 68 12.392 -5.914 12.271 451 HD3 PRO 68 1HD PRO 68 11.160 -6.863 11.413 452 H TRP 69 H TRP 69 11.345 -3.662 13.704 453 HA TRP 69 HA TRP 69 11.531 -2.997 16.613 454 HB2 TRP 69 2HB TRP 69 13.804 -2.602 14.663 455 HB3 TRP 69 1HB TRP 69 13.861 -2.564 16.425 456 HD1 TRP 69 HD TRP 69 14.864 -4.719 13.774 457 HE1 TRP 69 1HE TRP 69 14.940 -7.197 14.483 458 HE3 TRP 69 3HE TRP 69 12.155 -4.484 18.097 459 HZ2 TRP 69 2HZ TRP 69 13.980 -8.858 16.604 460 HZ3 TRP 69 3HZ TRP 69 11.753 -6.527 19.441 461 HH2 TRP 69 HH TRP 69 12.662 -8.712 18.701 462 H ASN 70 H ASN 70 9.750 -1.904 14.580 463 HA ASN 70 HA ASN 70 10.891 0.826 14.199 464 HB2 ASN 70 2HB ASN 70 9.510 -0.826 12.441 465 HB3 ASN 70 1HB ASN 70 8.279 0.316 12.984 466 HD21 ASN 70 1HD2 ASN 70 9.584 2.697 13.262 467 HD22 ASN 70 2HD2 ASN 70 10.335 3.165 11.814 468 H GLY 71 H GLY 71 10.502 1.276 16.521 469 HA2 GLY 71 2HA GLY 71 7.769 2.324 16.915 470 HA3 GLY 71 1HA GLY 71 8.319 1.131 18.090 Start of MODEL 19 1 H GLY 1 1HT GLY 1 -11.388 -11.672 3.674 2 HA2 GLY 1 1HA GLY 1 -10.919 -9.820 5.832 3 HA3 GLY 1 2HA GLY 1 -9.772 -10.806 4.925 4 H LYS 2 H LYS 2 -10.473 -9.876 2.308 5 HA LYS 2 HA LYS 2 -9.367 -7.108 2.476 6 HB2 LYS 2 2HB LYS 2 -8.810 -7.586 0.002 7 HB3 LYS 2 1HB LYS 2 -7.877 -8.457 1.219 8 HG2 LYS 2 2HG LYS 2 -8.792 -10.471 0.670 9 HG3 LYS 2 1HG LYS 2 -10.390 -9.778 0.385 10 HD2 LYS 2 2HD LYS 2 -9.289 -10.664 -1.697 11 HD3 LYS 2 1HD LYS 2 -9.710 -8.954 -1.790 12 HE2 LYS 2 2HE LYS 2 -7.055 -9.348 -0.653 13 HE3 LYS 2 1HE LYS 2 -7.188 -10.056 -2.264 14 HZ1 LYS 2 3HZ LYS 2 -6.791 -7.420 -1.695 15 HZ2 LYS 2 1HZ LYS 2 -8.441 -7.491 -2.084 16 HZ3 LYS 2 2HZ LYS 2 -7.283 -8.055 -3.193 17 H GLU 3 H GLU 3 -11.848 -6.739 2.957 18 HA GLU 3 HA GLU 3 -13.393 -6.587 0.420 19 HB2 GLU 3 2HB GLU 3 -14.062 -6.875 3.257 20 HB3 GLU 3 1HB GLU 3 -15.023 -5.633 2.453 21 HG2 GLU 3 2HG GLU 3 -15.991 -7.137 0.977 22 HG3 GLU 3 1HG GLU 3 -14.633 -8.258 1.066 23 H CYS 4 H CYS 4 -11.258 -4.691 2.079 24 HA CYS 4 HA CYS 4 -12.533 -2.228 0.991 25 HB2 CYS 4 2HB CYS 4 -11.677 -2.790 3.780 26 HB3 CYS 4 1HB CYS 4 -11.231 -1.211 3.135 27 H ASP 5 H ASP 5 -11.094 -2.126 -0.760 28 HA ASP 5 HA ASP 5 -8.206 -2.383 -0.320 29 HB2 ASP 5 2HB ASP 5 -10.001 -2.380 -2.583 30 HB3 ASP 5 1HB ASP 5 -8.699 -1.220 -2.851 31 H CYS 6 H CYS 6 -10.455 0.049 0.183 32 HA CYS 6 HA CYS 6 -8.290 2.065 0.309 33 HB2 CYS 6 2HB CYS 6 -10.877 2.464 -1.225 34 HB3 CYS 6 1HB CYS 6 -9.741 3.753 -0.830 35 H SER 7 H SER 7 -8.660 3.610 1.934 36 HA SER 7 HA SER 7 -11.009 3.031 3.676 37 HB2 SER 7 2HB SER 7 -9.715 3.646 5.496 38 HB3 SER 7 1HB SER 7 -8.457 3.038 4.422 39 HG SER 7 HG SER 7 -8.777 5.495 5.410 40 H SER 8 H SER 8 -10.493 4.989 1.212 41 HA SER 8 HA SER 8 -11.656 7.388 2.562 42 HB2 SER 8 2HB SER 8 -10.264 7.278 -0.126 43 HB3 SER 8 1HB SER 8 -10.768 8.724 0.744 44 HG SER 8 HG SER 8 -8.901 8.621 1.685 45 HA PRO 9 HA PRO 9 -15.279 6.220 0.238 46 HB2 PRO 9 2HB PRO 9 -16.860 8.263 1.179 47 HB3 PRO 9 1HB PRO 9 -16.511 6.791 2.103 48 HG2 PRO 9 2HG PRO 9 -15.421 9.543 2.472 49 HG3 PRO 9 1HG PRO 9 -15.622 8.246 3.663 50 HD2 PRO 9 2HD PRO 9 -13.192 8.980 2.406 51 HD3 PRO 9 1HD PRO 9 -13.482 7.492 3.333 52 H GLU 10 H GLU 10 -13.275 8.867 -0.211 53 HA GLU 10 HA GLU 10 -14.960 9.915 -2.449 54 HB2 GLU 10 2HB GLU 10 -13.680 11.287 -0.351 55 HB3 GLU 10 1HB GLU 10 -12.692 11.591 -1.779 56 HG2 GLU 10 2HG GLU 10 -14.394 12.685 -2.900 57 HG3 GLU 10 1HG GLU 10 -15.663 11.796 -2.055 58 H ASN 11 H ASN 11 -13.256 7.540 -2.589 59 HA ASN 11 HA ASN 11 -11.012 8.508 -4.286 60 HB2 ASN 11 2HB ASN 11 -10.792 6.739 -2.360 61 HB3 ASN 11 1HB ASN 11 -11.448 5.626 -3.560 62 HD21 ASN 11 1HD2 ASN 11 -8.545 6.686 -2.367 63 HD22 ASN 11 2HD2 ASN 11 -7.573 6.471 -3.742 64 HA PRO 12 HA PRO 12 -13.523 7.296 -7.755 65 HB2 PRO 12 2HB PRO 12 -11.667 7.956 -9.672 66 HB3 PRO 12 1HB PRO 12 -12.683 9.148 -8.844 67 HG2 PRO 12 2HG PRO 12 -9.784 8.572 -8.469 68 HG3 PRO 12 1HG PRO 12 -10.681 10.066 -8.151 69 HD2 PRO 12 2HD PRO 12 -9.852 8.167 -6.211 70 HD3 PRO 12 1HD PRO 12 -10.987 9.509 -5.951 71 H CYS 13 H CYS 13 -10.285 6.124 -7.075 72 HA CYS 13 HA CYS 13 -10.464 3.986 -9.088 73 HB2 CYS 13 2HB CYS 13 -8.369 5.273 -7.670 74 HB3 CYS 13 1HB CYS 13 -8.346 3.578 -7.181 75 H CYS 14 H CYS 14 -11.853 4.445 -6.130 76 HA CYS 14 HA CYS 14 -11.974 1.499 -5.668 77 HB2 CYS 14 2HB CYS 14 -11.084 3.623 -3.809 78 HB3 CYS 14 1HB CYS 14 -12.231 2.464 -3.135 79 H ASP 15 H ASP 15 -14.034 0.836 -5.713 80 HA ASP 15 HA ASP 15 -16.255 2.654 -5.873 81 HB2 ASP 15 2HB ASP 15 -15.918 0.083 -6.584 82 HB3 ASP 15 1HB ASP 15 -16.697 -0.168 -5.025 83 H ALA 16 H ALA 16 -17.080 3.768 -4.166 84 HA ALA 16 HA ALA 16 -16.380 3.269 -1.445 85 HB1 ALA 16 1HB ALA 16 -18.239 4.839 -0.908 86 HB2 ALA 16 2HB ALA 16 -18.759 4.763 -2.592 87 HB3 ALA 16 3HB ALA 16 -17.191 5.460 -2.184 88 H ALA 17 H ALA 17 -19.256 2.360 -3.337 89 HA ALA 17 HA ALA 17 -20.816 1.237 -1.282 90 HB1 ALA 17 1HB ALA 17 -21.599 1.464 -3.614 91 HB2 ALA 17 2HB ALA 17 -21.811 -0.189 -3.036 92 HB3 ALA 17 3HB ALA 17 -20.472 0.204 -4.115 93 H THR 18 H THR 18 -18.510 -0.528 -3.386 94 HA THR 18 HA THR 18 -18.543 -2.813 -1.544 95 HB THR 18 HB THR 18 -17.340 -3.961 -3.191 96 HG1 THR 18 1HG THR 18 -16.400 -2.218 -4.867 97 HG21 THR 18 3HG2 THR 18 -19.476 -2.328 -4.005 98 HG22 THR 18 1HG2 THR 18 -18.875 -3.767 -4.827 99 HG23 THR 18 2HG2 THR 18 -18.266 -2.175 -5.278 100 H CYS 19 H CYS 19 -16.860 0.119 -1.776 101 HA CYS 19 HA CYS 19 -15.043 0.964 -0.558 102 HB2 CYS 19 2HB CYS 19 -16.175 -0.153 1.344 103 HB3 CYS 19 1HB CYS 19 -15.326 -1.649 0.959 104 H LYS 20 H LYS 20 -14.759 -1.085 -2.876 105 HA LYS 20 HA LYS 20 -11.854 -1.585 -2.372 106 HB2 LYS 20 2HB LYS 20 -13.789 -3.476 -3.739 107 HB3 LYS 20 1HB LYS 20 -12.047 -3.719 -3.609 108 HG2 LYS 20 2HG LYS 20 -12.371 -3.505 -1.072 109 HG3 LYS 20 1HG LYS 20 -14.096 -3.685 -1.389 110 HD2 LYS 20 2HD LYS 20 -12.465 -5.678 -2.790 111 HD3 LYS 20 1HD LYS 20 -12.309 -5.771 -1.036 112 HE2 LYS 20 2HE LYS 20 -14.732 -5.922 -0.788 113 HE3 LYS 20 1HE LYS 20 -14.949 -5.710 -2.526 114 HZ1 LYS 20 3HZ LYS 20 -13.994 -7.776 -2.970 115 HZ2 LYS 20 1HZ LYS 20 -14.992 -8.068 -1.630 116 HZ3 LYS 20 2HZ LYS 20 -13.314 -7.910 -1.419 117 H LEU 21 H LEU 21 -10.818 -2.227 -4.637 118 HA LEU 21 HA LEU 21 -10.995 0.064 -6.316 119 HB2 LEU 21 2HB LEU 21 -9.777 -2.667 -6.625 120 HB3 LEU 21 1HB LEU 21 -9.791 -1.547 -7.988 121 HG LEU 21 HG LEU 21 -8.915 -0.433 -5.376 122 HD11 LEU 21 1HD1 LEU 21 -7.878 -2.859 -5.942 123 HD12 LEU 21 2HD1 LEU 21 -6.933 -1.573 -5.190 124 HD13 LEU 21 3HD1 LEU 21 -6.813 -1.857 -6.927 125 HD21 LEU 21 3HD2 LEU 21 -8.611 0.034 -8.257 126 HD22 LEU 21 1HD2 LEU 21 -7.092 0.186 -7.373 127 HD23 LEU 21 2HD2 LEU 21 -8.481 1.173 -6.916 128 H ARG 22 H ARG 22 -12.399 0.569 -7.927 129 HA ARG 22 HA ARG 22 -14.546 -1.323 -8.552 130 HB2 ARG 22 2HB ARG 22 -15.485 0.763 -8.434 131 HB3 ARG 22 1HB ARG 22 -14.028 1.576 -8.990 132 HG2 ARG 22 2HG ARG 22 -14.499 0.697 -11.301 133 HG3 ARG 22 1HG ARG 22 -16.029 0.062 -10.695 134 HD2 ARG 22 2HD ARG 22 -16.798 2.108 -11.389 135 HD3 ARG 22 1HD ARG 22 -16.223 2.597 -9.795 136 HE ARG 22 HE ARG 22 -14.301 2.785 -12.042 137 HH11 ARG 22 1HH2 ARG 22 -16.845 4.382 -10.428 138 HH12 ARG 22 2HH2 ARG 22 -16.036 5.911 -10.347 139 HH21 ARG 22 1HH1 ARG 22 -13.068 4.708 -11.676 140 HH22 ARG 22 2HH1 ARG 22 -13.897 6.096 -11.054 141 HA PRO 23 HA PRO 23 -12.620 -1.032 -12.909 142 HB2 PRO 23 2HB PRO 23 -10.224 0.290 -13.171 143 HB3 PRO 23 1HB PRO 23 -11.803 1.078 -13.344 144 HG2 PRO 23 2HG PRO 23 -9.869 1.228 -11.077 145 HG3 PRO 23 1HG PRO 23 -11.078 2.411 -11.601 146 HD2 PRO 23 2HD PRO 23 -11.337 0.640 -9.413 147 HD3 PRO 23 1HD PRO 23 -12.648 1.578 -10.158 148 H GLY 24 H GLY 24 -10.052 -1.545 -13.835 149 HA2 GLY 24 2HA GLY 24 -9.364 -3.974 -12.296 150 HA3 GLY 24 1HA GLY 24 -8.780 -3.576 -13.913 151 H ALA 25 H ALA 25 -8.732 -1.327 -11.211 152 HA ALA 25 HA ALA 25 -5.854 -0.936 -11.558 153 HB1 ALA 25 1HB ALA 25 -8.065 0.378 -10.066 154 HB2 ALA 25 2HB ALA 25 -6.760 1.097 -11.010 155 HB3 ALA 25 3HB ALA 25 -6.453 0.532 -9.367 156 H GLN 26 H GLN 26 -4.242 -1.542 -10.084 157 HA GLN 26 HA GLN 26 -4.908 -3.780 -8.314 158 HB2 GLN 26 2HB GLN 26 -2.345 -2.345 -9.030 159 HB3 GLN 26 1HB GLN 26 -2.403 -3.646 -7.845 160 HG2 GLN 26 2HG GLN 26 -3.843 -4.531 -10.126 161 HG3 GLN 26 1HG GLN 26 -2.332 -3.827 -10.695 162 HE21 GLN 26 1HE2 GLN 26 -0.463 -5.101 -10.467 163 HE22 GLN 26 2HE2 GLN 26 -0.382 -6.525 -9.545 164 H CYS 27 H CYS 27 -4.896 -0.428 -7.991 165 HA CYS 27 HA CYS 27 -5.191 -0.583 -5.105 166 HB2 CYS 27 2HB CYS 27 -3.179 0.640 -4.506 167 HB3 CYS 27 1HB CYS 27 -2.735 -0.824 -5.388 168 H GLY 28 H GLY 28 -5.947 1.362 -4.231 169 HA2 GLY 28 2HA GLY 28 -6.447 3.547 -6.210 170 HA3 GLY 28 1HA GLY 28 -7.615 3.099 -4.967 171 H GLU 29 H GLU 29 -5.548 2.643 -2.958 172 HA GLU 29 HA GLU 29 -4.248 5.270 -2.636 173 HB2 GLU 29 2HB GLU 29 -5.349 5.826 -0.606 174 HB3 GLU 29 1HB GLU 29 -6.633 5.383 -1.721 175 HG2 GLU 29 2HG GLU 29 -7.327 3.896 -0.179 176 HG3 GLU 29 1HG GLU 29 -5.876 2.964 -0.549 177 H GLY 30 H GLY 30 -2.441 5.136 -1.228 178 HA2 GLY 30 2HA GLY 30 -1.837 3.347 0.763 179 HA3 GLY 30 1HA GLY 30 -1.506 2.413 -0.694 180 H LEU 31 H LEU 31 0.747 2.503 0.310 181 HA LEU 31 HA LEU 31 2.134 5.089 -0.038 182 HB2 LEU 31 2HB LEU 31 2.581 2.669 1.497 183 HB3 LEU 31 1HB LEU 31 4.011 3.075 0.555 184 HG LEU 31 HG LEU 31 3.870 4.144 2.863 185 HD11 LEU 31 1HD1 LEU 31 4.065 5.870 0.379 186 HD12 LEU 31 2HD1 LEU 31 5.386 5.030 1.193 187 HD13 LEU 31 3HD1 LEU 31 4.586 6.390 1.982 188 HD21 LEU 31 3HD2 LEU 31 2.085 5.413 3.413 189 HD22 LEU 31 1HD2 LEU 31 1.304 4.813 1.950 190 HD23 LEU 31 2HD2 LEU 31 2.202 6.330 1.912 191 H CYS 32 H CYS 32 1.746 1.999 -1.627 192 HA CYS 32 HA CYS 32 3.715 2.900 -3.686 193 HB2 CYS 32 2HB CYS 32 3.157 0.198 -2.516 194 HB3 CYS 32 1HB CYS 32 3.742 0.315 -4.177 195 H CYS 33 H CYS 33 1.129 3.812 -3.922 196 HA CYS 33 HA CYS 33 -0.059 1.994 -5.972 197 HB2 CYS 33 2HB CYS 33 -1.537 2.592 -4.041 198 HB3 CYS 33 1HB CYS 33 -1.416 4.281 -4.513 199 H GLU 34 H GLU 34 1.137 2.655 -7.765 200 HA GLU 34 HA GLU 34 1.130 5.557 -8.439 201 HB2 GLU 34 2HB GLU 34 3.103 3.570 -8.629 202 HB3 GLU 34 1HB GLU 34 2.575 3.848 -10.289 203 HG2 GLU 34 2HG GLU 34 2.713 6.406 -9.340 204 HG3 GLU 34 1HG GLU 34 4.033 5.636 -8.459 205 H GLN 35 H GLN 35 -0.465 6.199 -9.811 206 HA GLN 35 HA GLN 35 -2.056 6.117 -11.536 207 HB2 GLN 35 2HB GLN 35 0.277 5.025 -12.567 208 HB3 GLN 35 1HB GLN 35 -0.928 3.781 -12.907 209 HG2 GLN 35 2HG GLN 35 -1.139 5.161 -14.780 210 HG3 GLN 35 1HG GLN 35 -2.388 5.811 -13.716 211 HE21 GLN 35 1HE2 GLN 35 -1.498 7.620 -15.543 212 HE22 GLN 35 2HE2 GLN 35 -0.435 8.744 -14.843 213 H CYS 36 H CYS 36 -2.411 4.575 -9.114 214 HA CYS 36 HA CYS 36 -3.895 2.988 -8.266 215 HB2 CYS 36 2HB CYS 36 -4.896 3.186 -11.109 216 HB3 CYS 36 1HB CYS 36 -5.633 2.119 -9.919 217 H LYS 37 H LYS 37 -1.290 2.167 -9.167 218 HA LYS 37 HA LYS 37 -1.910 -0.675 -9.822 219 HB2 LYS 37 2HB LYS 37 0.435 0.899 -10.934 220 HB3 LYS 37 1HB LYS 37 0.034 -0.782 -11.291 221 HG2 LYS 37 2HG LYS 37 -2.329 0.484 -11.878 222 HG3 LYS 37 1HG LYS 37 -1.145 1.696 -12.365 223 HD2 LYS 37 2HD LYS 37 -0.305 0.397 -14.057 224 HD3 LYS 37 1HD LYS 37 -0.573 -1.107 -13.175 225 HE2 LYS 37 2HE LYS 37 -2.280 -1.357 -14.678 226 HE3 LYS 37 1HE LYS 37 -3.141 -0.318 -13.542 227 HZ1 LYS 37 3HZ LYS 37 -2.564 1.594 -14.829 228 HZ2 LYS 37 1HZ LYS 37 -3.263 0.451 -15.868 229 HZ3 LYS 37 2HZ LYS 37 -1.579 0.675 -15.863 230 H PHE 38 H PHE 38 -0.135 -2.150 -9.095 231 HA PHE 38 HA PHE 38 0.819 -1.336 -6.455 232 HB2 PHE 38 2HB PHE 38 1.020 -3.865 -8.086 233 HB3 PHE 38 1HB PHE 38 1.899 -3.685 -6.569 234 HD1 PHE 38 1HD PHE 38 -0.218 -1.960 -5.135 235 HD2 PHE 38 2HD PHE 38 -0.496 -5.585 -7.428 236 HE1 PHE 38 1HE PHE 38 -2.272 -2.585 -3.901 237 HE2 PHE 38 2HE PHE 38 -2.549 -6.208 -6.188 238 HZ PHE 38 HZ PHE 38 -3.437 -4.709 -4.425 239 H SER 39 H SER 39 2.769 -0.407 -6.066 240 HA SER 39 HA SER 39 4.635 0.184 -8.158 241 HB2 SER 39 2HB SER 39 5.341 0.080 -5.220 242 HB3 SER 39 1HB SER 39 5.999 1.140 -6.461 243 HG SER 39 HG SER 39 4.526 2.398 -5.521 244 H ARG 40 H ARG 40 6.975 -0.704 -6.266 245 HA ARG 40 HA ARG 40 6.958 -3.578 -7.084 246 HB2 ARG 40 2HB ARG 40 9.206 -3.430 -7.872 247 HB3 ARG 40 1HB ARG 40 8.370 -2.044 -8.572 248 HG2 ARG 40 2HG ARG 40 9.206 -0.641 -6.676 249 HG3 ARG 40 1HG ARG 40 10.140 -2.026 -6.112 250 HD2 ARG 40 2HD ARG 40 11.134 -2.081 -8.499 251 HD3 ARG 40 1HD ARG 40 10.480 -0.450 -8.661 252 HE ARG 40 HE ARG 40 11.894 0.149 -6.653 253 HH11 ARG 40 1HH2 ARG 40 13.357 -0.917 -9.257 254 HH12 ARG 40 2HH2 ARG 40 14.667 -1.762 -8.501 255 HH21 ARG 40 1HH1 ARG 40 13.240 -1.696 -5.344 256 HH22 ARG 40 2HH1 ARG 40 14.600 -2.202 -6.288 257 H ALA 41 H ALA 41 8.274 -4.961 -5.734 258 HA ALA 41 HA ALA 41 8.210 -4.244 -2.940 259 HB1 ALA 41 1HB ALA 41 9.899 -6.527 -3.835 260 HB2 ALA 41 2HB ALA 41 8.181 -6.614 -4.220 261 HB3 ALA 41 3HB ALA 41 8.701 -6.456 -2.543 262 H GLY 42 H GLY 42 10.209 -4.379 -1.534 263 HA2 GLY 42 2HA GLY 42 12.407 -3.680 -1.032 264 HA3 GLY 42 1HA GLY 42 12.805 -3.938 -2.732 265 H LYS 43 H LYS 43 10.082 -1.942 -1.888 266 HA LYS 43 HA LYS 43 11.616 0.406 -2.933 267 HB2 LYS 43 2HB LYS 43 9.789 0.431 -4.287 268 HB3 LYS 43 1HB LYS 43 8.827 -0.532 -3.176 269 HG2 LYS 43 2HG LYS 43 7.779 1.623 -3.287 270 HG3 LYS 43 1HG LYS 43 8.613 1.574 -1.739 271 HD2 LYS 43 2HD LYS 43 9.732 3.433 -2.336 272 HD3 LYS 43 1HD LYS 43 10.505 2.507 -3.622 273 HE2 LYS 43 2HE LYS 43 7.749 3.691 -3.963 274 HE3 LYS 43 1HE LYS 43 9.205 4.616 -4.327 275 HZ1 LYS 43 3HZ LYS 43 9.820 3.133 -5.995 276 HZ2 LYS 43 1HZ LYS 43 8.147 3.308 -6.212 277 HZ3 LYS 43 2HZ LYS 43 8.764 1.918 -5.451 278 H ILE 44 H ILE 44 12.178 2.001 -1.537 279 HA ILE 44 HA ILE 44 11.702 1.867 1.248 280 HB ILE 44 HB ILE 44 13.511 3.230 0.407 281 HG12 ILE 44 2HG1 ILE 44 12.915 5.469 1.473 282 HG13 ILE 44 1HG1 ILE 44 11.291 4.825 1.711 283 HG21 ILE 44 1HG2 ILE 44 11.734 5.343 -0.668 284 HG22 ILE 44 2HG2 ILE 44 11.842 3.867 -1.628 285 HG23 ILE 44 3HG2 ILE 44 13.300 4.785 -1.252 286 HD11 ILE 44 3HD1 ILE 44 11.975 3.728 3.547 287 HD12 ILE 44 1HD1 ILE 44 13.586 4.413 3.342 288 HD13 ILE 44 2HD1 ILE 44 13.185 2.866 2.596 289 H CYS 45 H CYS 45 9.440 1.497 1.517 290 HA CYS 45 HA CYS 45 7.492 3.495 0.600 291 HB2 CYS 45 2HB CYS 45 5.926 2.107 2.074 292 HB3 CYS 45 1HB CYS 45 6.628 1.296 0.678 293 H ARG 46 H ARG 46 9.375 2.899 3.468 294 HA ARG 46 HA ARG 46 8.342 5.404 4.626 295 HB2 ARG 46 2HB ARG 46 8.213 2.859 6.260 296 HB3 ARG 46 1HB ARG 46 7.594 4.452 6.698 297 HG2 ARG 46 2HG ARG 46 6.010 4.319 4.769 298 HG3 ARG 46 1HG ARG 46 6.571 2.674 4.465 299 HD2 ARG 46 2HD ARG 46 5.604 1.839 6.412 300 HD3 ARG 46 1HD ARG 46 5.622 3.409 7.215 301 HE ARG 46 HE ARG 46 3.842 3.192 4.874 302 HH11 ARG 46 1HH1 ARG 46 4.073 4.707 7.744 303 HH12 ARG 46 2HH1 ARG 46 2.509 4.278 8.354 304 HH21 ARG 46 1HH2 ARG 46 1.906 1.914 5.888 305 HH22 ARG 46 2HH2 ARG 46 1.282 2.696 7.302 306 H ILE 47 H ILE 47 9.810 6.320 6.117 307 HA ILE 47 HA ILE 47 12.443 4.936 6.214 308 HB ILE 47 HB ILE 47 11.821 7.511 5.447 309 HG12 ILE 47 2HG1 ILE 47 13.872 6.326 4.894 310 HG13 ILE 47 1HG1 ILE 47 14.287 7.879 5.617 311 HG21 ILE 47 1HG2 ILE 47 12.784 8.996 7.172 312 HG22 ILE 47 2HG2 ILE 47 12.924 7.624 8.271 313 HG23 ILE 47 3HG2 ILE 47 11.332 8.190 7.767 314 HD11 ILE 47 3HD1 ILE 47 15.377 5.544 6.437 315 HD12 ILE 47 1HD1 ILE 47 13.974 5.607 7.503 316 HD13 ILE 47 2HD1 ILE 47 15.146 6.922 7.513 317 H ALA 48 H ALA 48 13.001 4.006 8.114 318 HA ALA 48 HA ALA 48 11.393 4.536 10.513 319 HB1 ALA 48 1HB ALA 48 12.000 2.430 11.021 320 HB2 ALA 48 2HB ALA 48 13.699 2.904 11.046 321 HB3 ALA 48 3HB ALA 48 12.953 2.374 9.538 322 H ARG 49 H ARG 49 12.698 4.798 12.639 323 HA ARG 49 HA ARG 49 15.134 6.454 12.287 324 HB2 ARG 49 2HB ARG 49 12.683 7.682 12.544 325 HB3 ARG 49 1HB ARG 49 13.222 7.589 14.221 326 HG2 ARG 49 2HG ARG 49 15.517 8.424 13.116 327 HG3 ARG 49 1HG ARG 49 14.397 9.097 11.931 328 HD2 ARG 49 2HD ARG 49 14.713 10.779 13.619 329 HD3 ARG 49 1HD ARG 49 13.107 10.097 13.874 330 HE ARG 49 HE ARG 49 13.925 9.001 15.855 331 HH11 ARG 49 1HH2 ARG 49 15.403 11.806 15.593 332 HH12 ARG 49 2HH2 ARG 49 16.949 11.352 16.230 333 HH21 ARG 49 1HH1 ARG 49 16.318 7.947 16.042 334 HH22 ARG 49 2HH1 ARG 49 17.466 9.166 16.484 335 H GLY 50 H GLY 50 16.597 5.649 13.716 336 HA2 GLY 50 2HA GLY 50 16.688 5.489 16.364 337 HA3 GLY 50 1HA GLY 50 15.601 4.140 16.070 338 H ASP 51 H ASP 51 16.673 2.968 13.863 339 HA ASP 51 HA ASP 51 19.452 2.673 13.668 340 HB2 ASP 51 2HB ASP 51 18.328 1.462 16.080 341 HB3 ASP 51 1HB ASP 51 19.226 0.310 15.089 342 H TRP 52 H TRP 52 16.617 0.559 14.050 343 HA TRP 52 HA TRP 52 17.316 -1.459 12.256 344 HB2 TRP 52 2HB TRP 52 14.753 -1.463 11.703 345 HB3 TRP 52 1HB TRP 52 15.283 -1.842 13.341 346 HD1 TRP 52 HD TRP 52 13.639 0.899 11.272 347 HE1 TRP 52 1HE TRP 52 12.545 2.605 12.867 348 HE3 TRP 52 3HE TRP 52 15.385 -0.834 15.743 349 HZ2 TRP 52 2HZ TRP 52 12.427 3.158 15.672 350 HZ3 TRP 52 3HZ TRP 52 14.768 0.296 17.860 351 HH2 TRP 52 HH TRP 52 13.291 2.288 17.830 352 H ASN 53 H ASN 53 16.697 -1.782 9.975 353 HA ASN 53 HA ASN 53 17.599 0.321 8.292 354 HB2 ASN 53 2HB ASN 53 15.807 -1.969 7.447 355 HB3 ASN 53 1HB ASN 53 16.971 -1.094 6.451 356 HD21 ASN 53 1HD2 ASN 53 19.058 -1.965 6.354 357 HD22 ASN 53 2HD2 ASN 53 19.661 -3.144 7.414 358 H ASP 54 H ASP 54 15.908 0.690 6.218 359 HA ASP 54 HA ASP 54 13.871 2.463 7.378 360 HB2 ASP 54 2HB ASP 54 13.542 3.197 5.045 361 HB3 ASP 54 1HB ASP 54 15.254 3.198 5.462 362 H ASP 55 H ASP 55 12.214 1.944 4.798 363 HA ASP 55 HA ASP 55 10.956 -0.628 5.644 364 HB2 ASP 55 2HB ASP 55 9.869 1.906 6.139 365 HB3 ASP 55 1HB ASP 55 9.006 1.325 4.714 366 H ARG 56 H ARG 56 10.823 -1.946 3.893 367 HA ARG 56 HA ARG 56 10.959 -0.713 1.184 368 HB2 ARG 56 2HB ARG 56 11.332 -3.599 2.032 369 HB3 ARG 56 1HB ARG 56 11.608 -2.942 0.420 370 HG2 ARG 56 2HG ARG 56 13.018 -1.632 2.699 371 HG3 ARG 56 1HG ARG 56 13.604 -3.211 2.176 372 HD2 ARG 56 2HD ARG 56 14.066 -2.442 -0.016 373 HD3 ARG 56 1HD ARG 56 13.084 -0.992 0.197 374 HE ARG 56 HE ARG 56 14.868 -0.247 1.854 375 HH11 ARG 56 1HH2 ARG 56 16.053 -3.153 1.102 376 HH12 ARG 56 2HH2 ARG 56 17.501 -2.625 0.311 377 HH21 ARG 56 1HH1 ARG 56 16.499 0.688 0.106 378 HH22 ARG 56 2HH1 ARG 56 17.753 -0.452 -0.252 379 H CYS 57 H CYS 57 9.353 -1.009 -0.311 380 HA CYS 57 HA CYS 57 6.721 -1.786 0.625 381 HB2 CYS 57 2HB CYS 57 7.839 -0.458 -1.656 382 HB3 CYS 57 1HB CYS 57 6.835 -1.786 -2.227 383 H THR 58 H THR 58 5.494 -3.593 -0.186 384 HA THR 58 HA THR 58 7.092 -6.019 -0.491 385 HB THR 58 HB THR 58 4.270 -6.391 -1.010 386 HG1 THR 58 1HG THR 58 3.882 -4.534 0.093 387 HG21 THR 58 HG21 THR 58 5.079 -8.247 0.000 388 HG22 THR 58 1HG2 THR 58 4.822 -7.367 1.507 389 HG23 THR 58 2HG2 THR 58 6.413 -7.365 0.744 390 H GLY 59 H GLY 59 5.437 -3.787 -2.576 391 HA2 GLY 59 2HA GLY 59 5.774 -3.685 -4.949 392 HA3 GLY 59 1HA GLY 59 6.347 -5.351 -4.914 393 H GLN 60 H GLN 60 3.922 -6.057 -3.195 394 HA GLN 60 HA GLN 60 1.939 -6.080 -5.439 395 HB2 GLN 60 2HB GLN 60 2.472 -8.168 -3.303 396 HB3 GLN 60 1HB GLN 60 1.141 -8.240 -4.459 397 HG2 GLN 60 2HG GLN 60 2.702 -9.471 -5.629 398 HG3 GLN 60 1HG GLN 60 3.131 -7.859 -6.201 399 HE21 GLN 60 1HE2 GLN 60 4.085 -10.424 -3.916 400 HE22 GLN 60 2HE2 GLN 60 5.658 -9.841 -3.660 401 H SER 61 H SER 61 2.548 -4.913 -2.350 402 HA SER 61 HA SER 61 -0.374 -4.792 -1.721 403 HB2 SER 61 2HB SER 61 0.475 -5.678 0.220 404 HB3 SER 61 1HB SER 61 2.077 -5.000 -0.048 405 HG SER 61 HG SER 61 -0.173 -3.390 0.539 406 H ALA 62 H ALA 62 -1.231 -2.865 -2.324 407 HA ALA 62 HA ALA 62 0.107 -0.558 -3.135 408 HB1 ALA 62 1HB ALA 62 -2.570 -0.915 -1.772 409 HB2 ALA 62 2HB ALA 62 -2.246 -0.628 -3.481 410 HB3 ALA 62 3HB ALA 62 -2.008 0.668 -2.309 411 H ASP 63 H ASP 63 -0.873 -1.438 0.177 412 HA ASP 63 HA ASP 63 0.290 1.006 1.288 413 HB2 ASP 63 2HB ASP 63 -0.300 -1.403 2.968 414 HB3 ASP 63 1HB ASP 63 -0.558 0.304 3.330 415 H CYS 64 H CYS 64 1.749 0.195 3.448 416 HA CYS 64 HA CYS 64 3.926 -1.480 2.277 417 HB2 CYS 64 2HB CYS 64 4.825 0.669 2.069 418 HB3 CYS 64 1HB CYS 64 4.079 1.241 3.555 419 HA PRO 65 HA PRO 65 3.630 -3.637 6.057 420 HB2 PRO 65 2HB PRO 65 5.898 -5.120 5.688 421 HB3 PRO 65 1HB PRO 65 4.381 -5.466 4.861 422 HG2 PRO 65 2HG PRO 65 6.891 -4.280 3.800 423 HG3 PRO 65 1HG PRO 65 5.607 -5.144 2.939 424 HD2 PRO 65 2HD PRO 65 5.989 -2.337 2.997 425 HD3 PRO 65 1HD PRO 65 4.563 -3.200 2.379 426 H ARG 66 H ARG 66 5.882 -4.522 7.498 427 HA ARG 66 HA ARG 66 7.709 -2.283 7.956 428 HB2 ARG 66 2HB ARG 66 6.907 -2.396 10.505 429 HB3 ARG 66 1HB ARG 66 6.175 -1.275 9.355 430 HG2 ARG 66 2HG ARG 66 4.936 -3.927 9.276 431 HG3 ARG 66 1HG ARG 66 4.811 -3.168 10.862 432 HD2 ARG 66 2HD ARG 66 3.411 -1.536 10.117 433 HD3 ARG 66 1HD ARG 66 4.272 -1.361 8.588 434 HE ARG 66 HE ARG 66 2.793 -3.858 8.726 435 HH11 ARG 66 1HH1 ARG 66 1.899 -0.608 8.911 436 HH12 ARG 66 2HH1 ARG 66 0.837 -0.648 7.543 437 HH21 ARG 66 1HH2 ARG 66 1.724 -3.869 6.616 438 HH22 ARG 66 2HH2 ARG 66 0.739 -2.495 6.244 439 H ASN 67 H ASN 67 9.238 -2.852 9.798 440 HA ASN 67 HA ASN 67 10.075 -5.615 9.507 441 HB2 ASN 67 2HB ASN 67 11.141 -3.151 10.652 442 HB3 ASN 67 1HB ASN 67 11.470 -4.549 11.677 443 HD21 ASN 67 1HD2 ASN 67 13.653 -3.367 10.414 444 HD22 ASN 67 2HD2 ASN 67 14.211 -4.363 9.158 445 HA PRO 68 HA PRO 68 8.210 -7.408 13.055 446 HB2 PRO 68 2HB PRO 68 10.237 -9.001 14.009 447 HB3 PRO 68 1HB PRO 68 9.320 -9.364 12.537 448 HG2 PRO 68 2HG PRO 68 12.104 -8.332 12.805 449 HG3 PRO 68 1HG PRO 68 11.377 -9.269 11.490 450 HD2 PRO 68 2HD PRO 68 11.856 -6.475 11.473 451 HD3 PRO 68 1HD PRO 68 10.851 -7.373 10.314 452 H TRP 69 H TRP 69 10.384 -5.001 13.424 453 HA TRP 69 HA TRP 69 10.275 -5.170 16.409 454 HB2 TRP 69 2HB TRP 69 12.505 -3.825 14.874 455 HB3 TRP 69 1HB TRP 69 12.469 -4.260 16.583 456 HD1 TRP 69 HD TRP 69 14.134 -5.357 13.679 457 HE1 TRP 69 1HE TRP 69 14.654 -7.882 13.700 458 HE3 TRP 69 3HE TRP 69 10.967 -6.878 17.383 459 HZ2 TRP 69 2HZ TRP 69 13.834 -10.237 15.104 460 HZ3 TRP 69 3HZ TRP 69 10.856 -9.265 18.042 461 HH2 TRP 69 HH TRP 69 12.286 -10.944 16.909 462 H ASN 70 H ASN 70 8.636 -3.796 14.206 463 HA ASN 70 HA ASN 70 8.994 -0.985 15.157 464 HB2 ASN 70 2HB ASN 70 9.082 -1.666 12.617 465 HB3 ASN 70 1HB ASN 70 7.325 -1.724 12.770 466 HD21 ASN 70 1HD2 ASN 70 8.164 0.226 11.081 467 HD22 ASN 70 2HD2 ASN 70 8.100 1.759 11.807 468 H GLY 71 H GLY 71 7.189 -3.660 15.788 469 HA2 GLY 71 2HA GLY 71 5.190 -2.237 17.257 470 HA3 GLY 71 1HA GLY 71 4.492 -2.802 15.739 Start of MODEL 20 1 H GLY 1 1HT GLY 1 -10.556 -10.066 6.279 2 HA2 GLY 1 1HA GLY 1 -12.947 -10.252 5.012 3 HA3 GLY 1 2HA GLY 1 -13.303 -9.250 6.419 4 H LYS 2 H LYS 2 -12.610 -8.884 3.317 5 HA LYS 2 HA LYS 2 -11.235 -6.302 3.785 6 HB2 LYS 2 2HB LYS 2 -10.100 -8.630 2.324 7 HB3 LYS 2 1HB LYS 2 -9.907 -7.055 1.556 8 HG2 LYS 2 2HG LYS 2 -8.366 -6.398 3.071 9 HG3 LYS 2 1HG LYS 2 -9.350 -6.961 4.422 10 HD2 LYS 2 2HD LYS 2 -8.629 -9.330 3.772 11 HD3 LYS 2 1HD LYS 2 -7.426 -8.566 2.733 12 HE2 LYS 2 2HE LYS 2 -6.216 -7.717 4.518 13 HE3 LYS 2 1HE LYS 2 -7.624 -7.658 5.578 14 HZ1 LYS 2 3HZ LYS 2 -5.993 -9.998 4.814 15 HZ2 LYS 2 1HZ LYS 2 -7.568 -10.184 5.416 16 HZ3 LYS 2 2HZ LYS 2 -6.379 -9.436 6.369 17 H GLU 3 H GLU 3 -13.803 -6.227 3.239 18 HA GLU 3 HA GLU 3 -14.261 -6.247 0.320 19 HB2 GLU 3 2HB GLU 3 -15.914 -6.369 2.699 20 HB3 GLU 3 1HB GLU 3 -16.483 -5.099 1.614 21 HG2 GLU 3 2HG GLU 3 -17.558 -6.823 0.577 22 HG3 GLU 3 1HG GLU 3 -15.985 -7.082 -0.178 23 H CYS 4 H CYS 4 -12.662 -4.210 2.208 24 HA CYS 4 HA CYS 4 -13.614 -1.808 0.704 25 HB2 CYS 4 2HB CYS 4 -12.915 -2.043 3.641 26 HB3 CYS 4 1HB CYS 4 -12.952 -0.494 2.808 27 H ASP 5 H ASP 5 -11.902 -2.032 -0.773 28 HA ASP 5 HA ASP 5 -9.164 -2.465 0.004 29 HB2 ASP 5 2HB ASP 5 -10.152 -2.853 -2.301 30 HB3 ASP 5 1HB ASP 5 -10.143 -1.102 -2.520 31 H CYS 6 H CYS 6 -11.179 0.393 -0.235 32 HA CYS 6 HA CYS 6 -8.779 2.040 0.466 33 HB2 CYS 6 2HB CYS 6 -9.916 3.949 -0.588 34 HB3 CYS 6 1HB CYS 6 -9.730 2.629 -1.743 35 H SER 7 H SER 7 -9.377 4.000 1.817 36 HA SER 7 HA SER 7 -11.477 3.219 3.796 37 HB2 SER 7 2HB SER 7 -9.184 3.339 4.704 38 HB3 SER 7 1HB SER 7 -9.047 5.003 4.141 39 HG SER 7 HG SER 7 -9.705 5.145 6.226 40 H SER 8 H SER 8 -10.490 5.648 1.530 41 HA SER 8 HA SER 8 -12.365 7.631 2.683 42 HB2 SER 8 2HB SER 8 -9.944 7.854 1.291 43 HB3 SER 8 1HB SER 8 -11.170 8.372 0.137 44 HG SER 8 HG SER 8 -10.973 10.174 1.241 45 HA PRO 9 HA PRO 9 -15.439 6.181 -0.184 46 HB2 PRO 9 2HB PRO 9 -17.349 8.038 0.503 47 HB3 PRO 9 1HB PRO 9 -16.995 6.594 1.469 48 HG2 PRO 9 2HG PRO 9 -16.269 9.435 2.005 49 HG3 PRO 9 1HG PRO 9 -16.506 8.103 3.148 50 HD2 PRO 9 2HD PRO 9 -14.010 9.114 2.267 51 HD3 PRO 9 1HD PRO 9 -14.270 7.592 3.146 52 H GLU 10 H GLU 10 -13.979 9.310 -0.101 53 HA GLU 10 HA GLU 10 -15.370 10.314 -2.487 54 HB2 GLU 10 2HB GLU 10 -14.342 11.697 -0.514 55 HB3 GLU 10 1HB GLU 10 -12.824 11.481 -1.387 56 HG2 GLU 10 2HG GLU 10 -13.404 13.007 -2.942 57 HG3 GLU 10 1HG GLU 10 -14.984 12.258 -3.179 58 H ASN 11 H ASN 11 -12.812 8.190 -1.859 59 HA ASN 11 HA ASN 11 -11.094 8.828 -4.084 60 HB2 ASN 11 2HB ASN 11 -10.622 7.350 -1.997 61 HB3 ASN 11 1HB ASN 11 -11.395 6.066 -2.927 62 HD21 ASN 11 1HD2 ASN 11 -8.938 5.303 -2.612 63 HD22 ASN 11 2HD2 ASN 11 -7.896 5.710 -3.887 64 HA PRO 12 HA PRO 12 -13.989 7.164 -7.070 65 HB2 PRO 12 2HB PRO 12 -12.580 8.032 -9.266 66 HB3 PRO 12 1HB PRO 12 -13.654 9.074 -8.315 67 HG2 PRO 12 2HG PRO 12 -10.674 9.003 -8.367 68 HG3 PRO 12 1HG PRO 12 -11.758 10.347 -7.969 69 HD2 PRO 12 2HD PRO 12 -10.351 8.740 -6.109 70 HD3 PRO 12 1HD PRO 12 -11.673 9.864 -5.730 71 H CYS 13 H CYS 13 -10.561 6.521 -6.799 72 HA CYS 13 HA CYS 13 -10.383 4.508 -8.845 73 HB2 CYS 13 2HB CYS 13 -8.655 5.679 -6.883 74 HB3 CYS 13 1HB CYS 13 -8.548 3.922 -6.740 75 H CYS 14 H CYS 14 -11.996 4.551 -5.866 76 HA CYS 14 HA CYS 14 -12.251 1.586 -5.993 77 HB2 CYS 14 2HB CYS 14 -12.056 1.365 -3.612 78 HB3 CYS 14 1HB CYS 14 -10.675 2.326 -4.141 79 H ASP 15 H ASP 15 -14.347 0.948 -5.970 80 HA ASP 15 HA ASP 15 -16.517 2.772 -6.072 81 HB2 ASP 15 2HB ASP 15 -16.332 0.220 -6.716 82 HB3 ASP 15 1HB ASP 15 -16.894 -0.030 -5.060 83 H ALA 16 H ALA 16 -17.682 3.762 -4.461 84 HA ALA 16 HA ALA 16 -16.779 3.616 -1.724 85 HB1 ALA 16 1HB ALA 16 -17.779 5.648 -1.941 86 HB2 ALA 16 2HB ALA 16 -19.266 4.775 -1.575 87 HB3 ALA 16 3HB ALA 16 -18.821 5.095 -3.252 88 H ALA 17 H ALA 17 -19.668 2.372 -3.410 89 HA ALA 17 HA ALA 17 -20.987 1.239 -1.186 90 HB1 ALA 17 1HB ALA 17 -22.160 1.226 -3.254 91 HB2 ALA 17 2HB ALA 17 -21.826 -0.474 -2.918 92 HB3 ALA 17 3HB ALA 17 -20.840 0.404 -4.088 93 H THR 18 H THR 18 -18.668 -0.374 -3.396 94 HA THR 18 HA THR 18 -18.363 -2.546 -1.398 95 HB THR 18 HB THR 18 -17.256 -3.778 -3.133 96 HG1 THR 18 1HG THR 18 -16.934 -2.562 -5.190 97 HG21 THR 18 3HG2 THR 18 -18.899 -3.178 -5.154 98 HG22 THR 18 1HG2 THR 18 -19.695 -2.236 -3.894 99 HG23 THR 18 2HG2 THR 18 -19.482 -3.976 -3.693 100 H CYS 19 H CYS 19 -17.141 0.409 -1.630 101 HA CYS 19 HA CYS 19 -15.030 1.420 -1.273 102 HB2 CYS 19 2HB CYS 19 -13.940 0.174 0.818 103 HB3 CYS 19 1HB CYS 19 -15.350 1.200 0.990 104 H LYS 20 H LYS 20 -14.932 -0.776 -3.252 105 HA LYS 20 HA LYS 20 -12.089 -1.581 -2.776 106 HB2 LYS 20 2HB LYS 20 -14.317 -3.147 -4.096 107 HB3 LYS 20 1HB LYS 20 -12.613 -3.601 -4.195 108 HG2 LYS 20 2HG LYS 20 -13.330 -3.039 -1.452 109 HG3 LYS 20 1HG LYS 20 -14.429 -4.242 -2.130 110 HD2 LYS 20 2HD LYS 20 -11.406 -4.398 -2.302 111 HD3 LYS 20 1HD LYS 20 -12.384 -5.261 -1.114 112 HE2 LYS 20 2HE LYS 20 -12.945 -5.518 -4.065 113 HE3 LYS 20 1HE LYS 20 -11.726 -6.523 -3.282 114 HZ1 LYS 20 3HZ LYS 20 -13.952 -7.550 -3.349 115 HZ2 LYS 20 1HZ LYS 20 -14.544 -6.294 -2.376 116 HZ3 LYS 20 2HZ LYS 20 -13.362 -7.353 -1.769 117 H LEU 21 H LEU 21 -11.153 -2.311 -5.085 118 HA LEU 21 HA LEU 21 -11.070 0.081 -6.665 119 HB2 LEU 21 2HB LEU 21 -10.069 -2.733 -7.095 120 HB3 LEU 21 1HB LEU 21 -9.869 -1.486 -8.327 121 HG LEU 21 HG LEU 21 -9.116 -0.435 -5.749 122 HD11 LEU 21 1HD1 LEU 21 -8.625 -3.156 -5.868 123 HD12 LEU 21 2HD1 LEU 21 -7.747 -2.005 -4.861 124 HD13 LEU 21 3HD1 LEU 21 -7.110 -2.459 -6.441 125 HD21 LEU 21 3HD2 LEU 21 -7.883 0.681 -7.273 126 HD22 LEU 21 1HD2 LEU 21 -8.222 -0.535 -8.505 127 HD23 LEU 21 2HD2 LEU 21 -6.862 -0.751 -7.404 128 H ARG 22 H ARG 22 -12.481 0.762 -8.174 129 HA ARG 22 HA ARG 22 -14.615 -1.037 -9.093 130 HB2 ARG 22 2HB ARG 22 -14.299 1.778 -8.766 131 HB3 ARG 22 1HB ARG 22 -14.653 1.474 -10.468 132 HG2 ARG 22 2HG ARG 22 -16.349 -0.238 -8.977 133 HG3 ARG 22 1HG ARG 22 -16.440 1.349 -8.212 134 HD2 ARG 22 2HD ARG 22 -16.896 2.373 -10.424 135 HD3 ARG 22 1HD ARG 22 -16.847 0.773 -11.163 136 HE ARG 22 HE ARG 22 -18.819 0.227 -9.624 137 HH11 ARG 22 1HH1 ARG 22 -18.493 3.123 -8.466 138 HH12 ARG 22 2HH1 ARG 22 -19.873 3.879 -9.190 139 HH21 ARG 22 1HH2 ARG 22 -20.401 1.329 -11.478 140 HH22 ARG 22 2HH2 ARG 22 -20.953 2.863 -10.896 141 HA PRO 23 HA PRO 23 -12.516 -0.166 -13.289 142 HB2 PRO 23 2HB PRO 23 -10.185 1.290 -13.286 143 HB3 PRO 23 1HB PRO 23 -11.795 2.018 -13.426 144 HG2 PRO 23 2HG PRO 23 -9.946 1.991 -11.092 145 HG3 PRO 23 1HG PRO 23 -11.220 3.151 -11.500 146 HD2 PRO 23 2HD PRO 23 -11.396 1.078 -9.574 147 HD3 PRO 23 1HD PRO 23 -12.746 2.054 -10.192 148 H GLY 24 H GLY 24 -9.832 -0.378 -14.114 149 HA2 GLY 24 2HA GLY 24 -9.125 -2.993 -12.928 150 HA3 GLY 24 1HA GLY 24 -8.463 -2.322 -14.419 151 H ALA 25 H ALA 25 -8.660 -0.801 -11.204 152 HA ALA 25 HA ALA 25 -5.764 -0.215 -11.377 153 HB1 ALA 25 1HB ALA 25 -6.574 0.859 -9.001 154 HB2 ALA 25 2HB ALA 25 -8.091 0.875 -9.900 155 HB3 ALA 25 3HB ALA 25 -6.676 1.709 -10.542 156 H GLN 26 H GLN 26 -4.242 -1.108 -9.944 157 HA GLN 26 HA GLN 26 -4.966 -3.611 -8.674 158 HB2 GLN 26 2HB GLN 26 -2.568 -2.302 -9.444 159 HB3 GLN 26 1HB GLN 26 -2.452 -2.601 -7.709 160 HG2 GLN 26 2HG GLN 26 -1.944 -4.743 -8.178 161 HG3 GLN 26 1HG GLN 26 -3.585 -4.937 -8.796 162 HE21 GLN 26 1HE2 GLN 26 -2.339 -6.517 -10.307 163 HE22 GLN 26 2HE2 GLN 26 -1.692 -5.860 -11.732 164 H CYS 27 H CYS 27 -4.533 -0.300 -7.577 165 HA CYS 27 HA CYS 27 -5.816 -0.999 -5.032 166 HB2 CYS 27 2HB CYS 27 -3.733 -1.388 -4.120 167 HB3 CYS 27 1HB CYS 27 -2.908 -0.334 -5.258 168 H GLY 28 H GLY 28 -6.630 0.882 -3.953 169 HA2 GLY 28 2HA GLY 28 -6.836 3.238 -5.749 170 HA3 GLY 28 1HA GLY 28 -7.933 2.873 -4.421 171 H GLU 29 H GLU 29 -5.744 2.237 -2.574 172 HA GLU 29 HA GLU 29 -4.266 4.785 -2.375 173 HB2 GLU 29 2HB GLU 29 -5.128 5.319 -0.202 174 HB3 GLU 29 1HB GLU 29 -6.509 5.072 -1.261 175 HG2 GLU 29 2HG GLU 29 -7.238 3.645 0.342 176 HG3 GLU 29 1HG GLU 29 -6.057 2.529 -0.346 177 H GLY 30 H GLY 30 -2.359 4.577 -1.197 178 HA2 GLY 30 2HA GLY 30 -1.587 2.822 0.772 179 HA3 GLY 30 1HA GLY 30 -1.412 1.854 -0.692 180 H LEU 31 H LEU 31 0.860 2.553 0.846 181 HA LEU 31 HA LEU 31 2.053 4.893 -0.413 182 HB2 LEU 31 2HB LEU 31 4.166 4.100 0.725 183 HB3 LEU 31 1HB LEU 31 2.839 4.522 1.787 184 HG LEU 31 HG LEU 31 4.217 2.328 2.193 185 HD11 LEU 31 1HD1 LEU 31 1.467 1.513 2.424 186 HD12 LEU 31 2HD1 LEU 31 1.622 3.223 2.817 187 HD13 LEU 31 3HD1 LEU 31 2.584 2.027 3.687 188 HD21 LEU 31 3HD2 LEU 31 3.350 0.369 1.088 189 HD22 LEU 31 1HD2 LEU 31 3.842 1.505 -0.158 190 HD23 LEU 31 2HD2 LEU 31 2.134 1.318 0.241 191 H CYS 32 H CYS 32 1.485 1.777 -1.405 192 HA CYS 32 HA CYS 32 3.787 1.850 -3.310 193 HB2 CYS 32 2HB CYS 32 3.010 -0.188 -1.549 194 HB3 CYS 32 1HB CYS 32 2.413 -0.709 -3.124 195 H CYS 33 H CYS 33 0.804 2.854 -3.239 196 HA CYS 33 HA CYS 33 -0.177 1.455 -5.660 197 HB2 CYS 33 2HB CYS 33 -1.543 3.604 -4.025 198 HB3 CYS 33 1HB CYS 33 -2.293 2.544 -5.217 199 H GLU 34 H GLU 34 1.289 2.367 -7.201 200 HA GLU 34 HA GLU 34 1.316 5.305 -7.516 201 HB2 GLU 34 2HB GLU 34 3.022 4.926 -9.191 202 HB3 GLU 34 1HB GLU 34 3.403 3.897 -7.810 203 HG2 GLU 34 2HG GLU 34 3.566 2.292 -9.439 204 HG3 GLU 34 1HG GLU 34 1.821 2.204 -9.192 205 H GLN 35 H GLN 35 -0.286 6.216 -8.724 206 HA GLN 35 HA GLN 35 -1.948 6.434 -10.364 207 HB2 GLN 35 2HB GLN 35 -0.382 4.209 -11.710 208 HB3 GLN 35 1HB GLN 35 -1.595 5.226 -12.486 209 HG2 GLN 35 2HG GLN 35 -0.238 7.209 -12.136 210 HG3 GLN 35 1HG GLN 35 0.936 6.284 -11.197 211 HE21 GLN 35 1HE2 GLN 35 2.525 7.050 -12.920 212 HE22 GLN 35 2HE2 GLN 35 2.617 6.177 -14.374 213 H CYS 36 H CYS 36 -2.305 4.704 -8.091 214 HA CYS 36 HA CYS 36 -3.869 3.160 -7.299 215 HB2 CYS 36 2HB CYS 36 -4.933 3.630 -10.089 216 HB3 CYS 36 1HB CYS 36 -5.709 2.509 -8.969 217 H LYS 37 H LYS 37 -1.384 2.470 -9.050 218 HA LYS 37 HA LYS 37 -2.132 -0.386 -9.552 219 HB2 LYS 37 2HB LYS 37 -0.714 1.536 -11.160 220 HB3 LYS 37 1HB LYS 37 0.386 0.226 -10.732 221 HG2 LYS 37 2HG LYS 37 -1.306 -1.419 -11.512 222 HG3 LYS 37 1HG LYS 37 -2.347 -0.085 -12.008 223 HD2 LYS 37 2HD LYS 37 0.483 -0.458 -13.026 224 HD3 LYS 37 1HD LYS 37 -0.942 -1.065 -13.870 225 HE2 LYS 37 2HE LYS 37 -1.164 0.959 -14.829 226 HE3 LYS 37 1HE LYS 37 -1.521 1.620 -13.234 227 HZ1 LYS 37 3HZ LYS 37 0.902 1.780 -14.797 228 HZ2 LYS 37 1HZ LYS 37 1.152 1.402 -13.163 229 HZ3 LYS 37 2HZ LYS 37 0.317 2.819 -13.587 230 H PHE 38 H PHE 38 -0.250 -1.924 -9.099 231 HA PHE 38 HA PHE 38 0.834 -1.330 -6.449 232 HB2 PHE 38 2HB PHE 38 0.983 -3.671 -8.333 233 HB3 PHE 38 1HB PHE 38 2.101 -3.571 -6.982 234 HD1 PHE 38 2HD PHE 38 -0.894 -1.881 -6.122 235 HD2 PHE 38 1HD PHE 38 0.784 -5.818 -6.509 236 HE1 PHE 38 2HE PHE 38 -2.623 -2.774 -4.590 237 HE2 PHE 38 1HE PHE 38 -0.949 -6.707 -4.978 238 HZ PHE 38 HZ PHE 38 -2.653 -5.185 -4.017 239 H SER 39 H SER 39 2.676 -0.166 -6.171 240 HA SER 39 HA SER 39 4.392 0.606 -8.321 241 HB2 SER 39 2HB SER 39 5.141 0.449 -5.387 242 HB3 SER 39 1HB SER 39 5.865 1.487 -6.612 243 HG SER 39 HG SER 39 4.090 2.311 -5.117 244 H ARG 40 H ARG 40 6.891 -0.203 -6.611 245 HA ARG 40 HA ARG 40 6.994 -3.006 -7.648 246 HB2 ARG 40 2HB ARG 40 8.672 -0.736 -8.257 247 HB3 ARG 40 1HB ARG 40 9.634 -1.993 -7.479 248 HG2 ARG 40 2HG ARG 40 9.732 -2.880 -9.577 249 HG3 ARG 40 1HG ARG 40 8.123 -3.488 -9.190 250 HD2 ARG 40 2HD ARG 40 7.886 -0.769 -10.070 251 HD3 ARG 40 1HD ARG 40 8.841 -1.666 -11.251 252 HE ARG 40 HE ARG 40 6.768 -3.373 -10.870 253 HH11 ARG 40 1HH2 ARG 40 7.191 -0.175 -11.975 254 HH12 ARG 40 2HH2 ARG 40 5.539 0.041 -12.448 255 HH21 ARG 40 1HH1 ARG 40 4.500 -3.016 -11.189 256 HH22 ARG 40 2HH1 ARG 40 4.016 -1.566 -12.003 257 H ALA 41 H ALA 41 8.788 -4.282 -6.503 258 HA ALA 41 HA ALA 41 8.429 -3.936 -3.607 259 HB1 ALA 41 1HB ALA 41 9.207 -6.140 -3.393 260 HB2 ALA 41 2HB ALA 41 10.164 -6.048 -4.871 261 HB3 ALA 41 3HB ALA 41 8.408 -6.178 -4.964 262 H GLY 42 H GLY 42 10.297 -3.978 -2.160 263 HA2 GLY 42 2HA GLY 42 12.398 -3.234 -1.473 264 HA3 GLY 42 1HA GLY 42 12.959 -3.392 -3.126 265 H LYS 43 H LYS 43 10.092 -1.545 -2.490 266 HA LYS 43 HA LYS 43 11.580 0.883 -3.369 267 HB2 LYS 43 2HB LYS 43 9.740 1.065 -4.669 268 HB3 LYS 43 1HB LYS 43 8.868 -0.137 -3.732 269 HG2 LYS 43 2HG LYS 43 7.580 1.824 -3.465 270 HG3 LYS 43 1HG LYS 43 8.531 1.774 -1.990 271 HD2 LYS 43 2HD LYS 43 9.358 3.806 -2.495 272 HD3 LYS 43 1HD LYS 43 10.110 3.113 -3.933 273 HE2 LYS 43 2HE LYS 43 7.315 3.436 -4.455 274 HE3 LYS 43 1HE LYS 43 7.933 4.954 -3.806 275 HZ1 LYS 43 3HZ LYS 43 8.595 3.587 -6.288 276 HZ2 LYS 43 1HZ LYS 43 9.881 4.343 -5.483 277 HZ3 LYS 43 2HZ LYS 43 8.523 5.251 -5.947 278 H ILE 44 H ILE 44 12.137 2.423 -1.916 279 HA ILE 44 HA ILE 44 11.762 2.177 0.865 280 HB ILE 44 HB ILE 44 13.452 3.664 0.132 281 HG12 ILE 44 2HG1 ILE 44 12.860 5.837 1.132 282 HG13 ILE 44 1HG1 ILE 44 11.151 5.418 1.064 283 HG21 ILE 44 1HG2 ILE 44 13.211 4.645 -1.866 284 HG22 ILE 44 2HG2 ILE 44 12.081 5.788 -1.141 285 HG23 ILE 44 3HG2 ILE 44 11.484 4.291 -1.860 286 HD11 ILE 44 3HD1 ILE 44 13.076 4.750 3.086 287 HD12 ILE 44 1HD1 ILE 44 12.472 3.264 2.354 288 HD13 ILE 44 2HD1 ILE 44 11.344 4.418 3.067 289 H CYS 45 H CYS 45 9.562 1.655 1.231 290 HA CYS 45 HA CYS 45 7.436 3.520 0.443 291 HB2 CYS 45 2HB CYS 45 6.047 2.005 1.988 292 HB3 CYS 45 1HB CYS 45 6.724 1.257 0.544 293 H ARG 46 H ARG 46 9.254 2.725 3.349 294 HA ARG 46 HA ARG 46 8.197 5.223 4.592 295 HB2 ARG 46 2HB ARG 46 8.689 2.812 6.312 296 HB3 ARG 46 1HB ARG 46 7.623 4.188 6.600 297 HG2 ARG 46 2HG ARG 46 7.150 2.167 4.396 298 HG3 ARG 46 1HG ARG 46 6.438 2.023 6.004 299 HD2 ARG 46 2HD ARG 46 6.034 4.700 5.038 300 HD3 ARG 46 1HD ARG 46 5.475 3.556 3.816 301 HE ARG 46 HE ARG 46 4.352 2.528 6.077 302 HH11 ARG 46 1HH1 ARG 46 3.292 4.649 3.901 303 HH12 ARG 46 2HH1 ARG 46 2.362 5.651 4.966 304 HH21 ARG 46 1HH2 ARG 46 3.693 4.272 7.856 305 HH22 ARG 46 2HH2 ARG 46 2.589 5.437 7.205 306 H ILE 47 H ILE 47 9.738 6.379 5.731 307 HA ILE 47 HA ILE 47 12.522 5.641 5.295 308 HB ILE 47 HB ILE 47 11.547 8.010 5.294 309 HG12 ILE 47 2HG1 ILE 47 13.783 8.080 7.218 310 HG13 ILE 47 1HG1 ILE 47 14.064 7.050 5.815 311 HG21 ILE 47 1HG2 ILE 47 11.015 9.062 7.295 312 HG22 ILE 47 2HG2 ILE 47 12.014 7.971 8.255 313 HG23 ILE 47 3HG2 ILE 47 10.455 7.425 7.636 314 HD11 ILE 47 3HD1 ILE 47 13.065 9.128 4.505 315 HD12 ILE 47 1HD1 ILE 47 14.767 9.085 4.964 316 HD13 ILE 47 2HD1 ILE 47 13.616 10.005 5.933 317 H ALA 48 H ALA 48 14.081 5.781 7.238 318 HA ALA 48 HA ALA 48 12.850 4.471 9.631 319 HB1 ALA 48 1HB ALA 48 13.978 2.650 8.745 320 HB2 ALA 48 2HB ALA 48 15.269 3.365 9.711 321 HB3 ALA 48 3HB ALA 48 15.205 3.654 7.972 322 H ARG 49 H ARG 49 13.548 5.282 11.595 323 HA ARG 49 HA ARG 49 15.842 7.193 11.554 324 HB2 ARG 49 2HB ARG 49 13.034 7.628 12.526 325 HB3 ARG 49 1HB ARG 49 14.367 8.457 13.331 326 HG2 ARG 49 2HG ARG 49 15.105 9.108 10.914 327 HG3 ARG 49 1HG ARG 49 13.444 8.705 10.476 328 HD2 ARG 49 2HD ARG 49 13.228 10.260 12.804 329 HD3 ARG 49 1HD ARG 49 14.455 11.065 11.824 330 HE ARG 49 HE ARG 49 11.905 10.307 10.505 331 HH11 ARG 49 1HH2 ARG 49 13.874 12.151 9.226 332 HH12 ARG 49 2HH2 ARG 49 13.196 13.708 9.566 333 HH21 ARG 49 1HH1 ARG 49 11.094 12.540 12.065 334 HH22 ARG 49 2HH1 ARG 49 11.622 13.928 11.174 335 H GLY 50 H GLY 50 17.329 6.304 12.904 336 HA2 GLY 50 2HA GLY 50 17.509 6.063 15.507 337 HA3 GLY 50 1HA GLY 50 16.370 4.746 15.254 338 H ASP 51 H ASP 51 17.385 3.707 12.880 339 HA ASP 51 HA ASP 51 20.081 3.267 12.540 340 HB2 ASP 51 2HB ASP 51 19.224 2.239 15.103 341 HB3 ASP 51 1HB ASP 51 19.820 0.929 14.084 342 H TRP 52 H TRP 52 17.196 1.315 13.192 343 HA TRP 52 HA TRP 52 17.671 -0.808 11.427 344 HB2 TRP 52 2HB TRP 52 15.144 -0.898 11.178 345 HB3 TRP 52 1HB TRP 52 15.731 -0.894 12.841 346 HD1 TRP 52 HD TRP 52 14.348 1.549 10.200 347 HE1 TRP 52 1HE TRP 52 13.151 3.474 11.426 348 HE3 TRP 52 3HE TRP 52 15.394 0.296 15.037 349 HZ2 TRP 52 2HZ TRP 52 12.698 4.366 14.109 350 HZ3 TRP 52 3HZ TRP 52 14.568 1.697 16.906 351 HH2 TRP 52 HH TRP 52 13.222 3.728 16.449 352 H ASN 53 H ASN 53 17.221 -1.140 9.200 353 HA ASN 53 HA ASN 53 17.749 1.075 7.473 354 HB2 ASN 53 2HB ASN 53 16.427 -1.542 6.703 355 HB3 ASN 53 1HB ASN 53 17.349 -0.466 5.652 356 HD21 ASN 53 1HD2 ASN 53 19.092 -1.915 5.169 357 HD22 ASN 53 2HD2 ASN 53 20.161 -2.495 6.354 358 H ASP 54 H ASP 54 16.225 1.767 5.677 359 HA ASP 54 HA ASP 54 13.812 2.841 6.777 360 HB2 ASP 54 2HB ASP 54 13.322 3.565 4.497 361 HB3 ASP 54 1HB ASP 54 15.035 3.816 4.831 362 H ASP 55 H ASP 55 12.173 2.122 4.300 363 HA ASP 55 HA ASP 55 11.505 -0.690 5.051 364 HB2 ASP 55 2HB ASP 55 9.621 1.662 4.803 365 HB3 ASP 55 1HB ASP 55 9.065 -0.010 4.744 366 H ARG 56 H ARG 56 11.597 -1.932 3.282 367 HA ARG 56 HA ARG 56 11.530 -0.713 0.589 368 HB2 ARG 56 2HB ARG 56 12.486 -3.222 1.818 369 HB3 ARG 56 1HB ARG 56 11.762 -3.428 0.225 370 HG2 ARG 56 2HG ARG 56 14.276 -2.936 0.262 371 HG3 ARG 56 1HG ARG 56 13.306 -1.900 -0.776 372 HD2 ARG 56 2HD ARG 56 14.969 -0.670 0.639 373 HD3 ARG 56 1HD ARG 56 13.300 -0.141 0.831 374 HE ARG 56 HE ARG 56 13.664 -0.643 3.108 375 HH11 ARG 56 1HH2 ARG 56 16.340 -1.991 1.832 376 HH12 ARG 56 2HH2 ARG 56 16.330 -3.447 2.770 377 HH21 ARG 56 1HH1 ARG 56 13.123 -2.949 3.994 378 HH22 ARG 56 2HH1 ARG 56 14.509 -3.989 3.995 379 H CYS 57 H CYS 57 9.795 -0.821 -0.741 380 HA CYS 57 HA CYS 57 7.229 -1.675 0.209 381 HB2 CYS 57 2HB CYS 57 8.234 -0.232 -1.993 382 HB3 CYS 57 1HB CYS 57 7.377 -1.607 -2.677 383 H THR 58 H THR 58 6.024 -3.521 -0.359 384 HA THR 58 HA THR 58 7.548 -5.933 -0.848 385 HB THR 58 HB THR 58 4.832 -6.509 -1.259 386 HG1 THR 58 1HG THR 58 4.028 -4.667 -0.540 387 HG21 THR 58 3HG2 THR 58 6.002 -7.994 0.082 388 HG22 THR 58 1HG2 THR 58 5.105 -7.100 1.308 389 HG23 THR 58 2HG2 THR 58 6.795 -6.708 0.993 390 H GLY 59 H GLY 59 5.535 -3.808 -2.808 391 HA2 GLY 59 2HA GLY 59 5.703 -3.614 -5.191 392 HA3 GLY 59 1HA GLY 59 6.563 -5.153 -5.231 393 H GLN 60 H GLN 60 4.630 -6.565 -3.574 394 HA GLN 60 HA GLN 60 2.482 -6.880 -5.617 395 HB2 GLN 60 2HB GLN 60 3.526 -8.724 -3.452 396 HB3 GLN 60 1HB GLN 60 2.096 -9.080 -4.421 397 HG2 GLN 60 2HG GLN 60 3.326 -9.310 -6.396 398 HG3 GLN 60 1HG GLN 60 4.674 -8.351 -5.784 399 HE21 GLN 60 1HE2 GLN 60 3.076 -10.999 -4.000 400 HE22 GLN 60 2HE2 GLN 60 4.432 -12.019 -3.974 401 H SER 61 H SER 61 2.928 -5.234 -2.819 402 HA SER 61 HA SER 61 0.064 -5.610 -2.029 403 HB2 SER 61 2HB SER 61 2.023 -4.657 0.004 404 HB3 SER 61 1HB SER 61 0.596 -5.670 0.208 405 HG SER 61 HG SER 61 2.325 -7.007 0.437 406 H ALA 62 H ALA 62 -1.081 -3.693 -1.566 407 HA ALA 62 HA ALA 62 -0.052 -1.281 -2.803 408 HB1 ALA 62 1HB ALA 62 -2.219 -0.440 -1.352 409 HB2 ALA 62 2HB ALA 62 -2.582 -2.154 -1.566 410 HB3 ALA 62 3HB ALA 62 -2.306 -1.127 -2.972 411 H ASP 63 H ASP 63 -0.792 -2.167 0.594 412 HA ASP 63 HA ASP 63 0.393 0.328 1.544 413 HB2 ASP 63 2HB ASP 63 -0.170 -2.081 3.271 414 HB3 ASP 63 1HB ASP 63 -0.187 -0.372 3.720 415 H CYS 64 H CYS 64 2.172 0.047 3.348 416 HA CYS 64 HA CYS 64 4.259 -1.720 2.156 417 HB2 CYS 64 2HB CYS 64 5.053 0.467 1.973 418 HB3 CYS 64 1HB CYS 64 4.360 0.962 3.512 419 HA PRO 65 HA PRO 65 4.262 -4.019 5.878 420 HB2 PRO 65 2HB PRO 65 6.467 -5.501 5.233 421 HB3 PRO 65 1HB PRO 65 4.871 -5.815 4.554 422 HG2 PRO 65 2HG PRO 65 7.267 -4.602 3.279 423 HG3 PRO 65 1HG PRO 65 5.898 -5.441 2.527 424 HD2 PRO 65 2HD PRO 65 6.296 -2.638 2.625 425 HD3 PRO 65 1HD PRO 65 4.808 -3.479 2.138 426 H ARG 66 H ARG 66 4.967 -2.892 7.693 427 HA ARG 66 HA ARG 66 7.573 -1.556 7.708 428 HB2 ARG 66 2HB ARG 66 6.965 -0.888 10.002 429 HB3 ARG 66 1HB ARG 66 5.644 -0.548 8.880 430 HG2 ARG 66 2HG ARG 66 4.639 -2.773 9.529 431 HG3 ARG 66 1HG ARG 66 5.875 -2.895 10.782 432 HD2 ARG 66 2HD ARG 66 5.088 -0.714 11.711 433 HD3 ARG 66 1HD ARG 66 3.787 -0.711 10.519 434 HE ARG 66 HE ARG 66 2.750 -2.536 11.700 435 HH11 ARG 66 1HH2 ARG 66 4.102 -0.636 13.854 436 HH12 ARG 66 2HH2 ARG 66 4.620 -1.840 14.986 437 HH21 ARG 66 1HH1 ARG 66 4.133 -4.488 12.799 438 HH22 ARG 66 2HH1 ARG 66 4.638 -4.022 14.389 439 H ASN 67 H ASN 67 8.851 -1.920 9.885 440 HA ASN 67 HA ASN 67 9.415 -4.841 10.043 441 HB2 ASN 67 2HB ASN 67 11.614 -4.145 10.903 442 HB3 ASN 67 1HB ASN 67 11.276 -3.305 9.395 443 HD21 ASN 67 1HD2 ASN 67 12.226 -2.819 12.614 444 HD22 ASN 67 2HD2 ASN 67 11.920 -1.157 12.719 445 HA PRO 68 HA PRO 68 8.061 -4.907 14.234 446 HB2 PRO 68 2HB PRO 68 9.865 -6.666 15.351 447 HB3 PRO 68 1HB PRO 68 8.542 -7.158 14.279 448 HG2 PRO 68 2HG PRO 68 11.455 -7.009 13.726 449 HG3 PRO 68 1HG PRO 68 10.211 -7.971 12.916 450 HD2 PRO 68 2HD PRO 68 11.374 -5.557 11.967 451 HD3 PRO 68 1HD PRO 68 9.980 -6.402 11.271 452 H TRP 69 H TRP 69 10.326 -2.905 13.516 453 HA TRP 69 HA TRP 69 11.125 -2.381 16.335 454 HB2 TRP 69 2HB TRP 69 13.035 -1.896 14.055 455 HB3 TRP 69 1HB TRP 69 13.387 -2.053 15.777 456 HD1 TRP 69 HD TRP 69 12.165 -4.619 16.648 457 HE1 TRP 69 1HE TRP 69 12.808 -6.910 15.671 458 HE3 TRP 69 3HE TRP 69 14.128 -3.141 12.179 459 HZ2 TRP 69 2HZ TRP 69 13.987 -7.980 13.307 460 HZ3 TRP 69 3HZ TRP 69 14.998 -4.824 10.576 461 HH2 TRP 69 HH TRP 69 14.922 -7.238 11.141 462 H ASN 70 H ASN 70 9.677 -1.228 13.539 463 HA ASN 70 HA ASN 70 10.561 1.514 13.571 464 HB2 ASN 70 2HB ASN 70 9.027 0.016 11.878 465 HB3 ASN 70 1HB ASN 70 7.793 0.985 12.684 466 HD21 ASN 70 1HD2 ASN 70 10.970 1.357 11.024 467 HD22 ASN 70 2HD2 ASN 70 10.629 2.900 10.400 468 H GLY 71 H GLY 71 10.443 2.354 15.679 469 HA2 GLY 71 2HA GLY 71 7.688 2.931 16.621 470 HA3 GLY 71 1HA GLY 71 8.797 2.163 17.756
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