NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559279 | 2m4y | 19027 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.522 -0.730 1.265 2 HA MET 1 HA MET 1 1.240 -2.108 -1.243 3 HB2 MET 1 1HB MET 1 2.873 0.276 -0.378 4 HB3 MET 1 2HB MET 1 2.926 -0.373 -2.012 5 HG2 MET 1 1HG MET 1 1.376 1.276 -2.266 6 HG3 MET 1 2HG MET 1 0.330 -0.089 -1.881 7 HE1 MET 1 3HE MET 1 1.590 3.375 -0.945 8 HE2 MET 1 1HE MET 1 -0.060 3.292 -1.562 9 HE3 MET 1 2HE MET 1 0.237 3.847 0.085 10 H THR 2 H THR 2 3.095 -2.829 -2.525 11 HA THR 2 HA THR 2 4.926 -4.378 -0.868 12 HB THR 2 HB THR 2 4.408 -4.468 -3.846 13 HG1 THR 2 HG1 THR 2 2.764 -5.603 -3.136 14 HG21 THR 2 3HG2 THR 2 5.640 -6.729 -3.527 15 HG22 THR 2 1HG2 THR 2 6.308 -5.972 -2.082 16 HG23 THR 2 2HG2 THR 2 6.592 -5.251 -3.666 17 H ALA 3 H ALA 3 7.150 -4.255 -0.978 18 HA ALA 3 HA ALA 3 8.379 -2.292 -2.747 19 HB1 ALA 3 1HB ALA 3 9.305 -2.042 0.030 20 HB2 ALA 3 2HB ALA 3 9.026 -0.802 -1.193 21 HB3 ALA 3 3HB ALA 3 7.670 -1.453 -0.272 22 H TYR 4 H TYR 4 9.992 -3.347 -3.684 23 HA TYR 4 HA TYR 4 11.543 -5.266 -2.073 24 HB2 TYR 4 1HB TYR 4 10.670 -5.348 -4.945 25 HB3 TYR 4 2HB TYR 4 12.092 -6.242 -4.420 26 HD1 TYR 4 HD1 TYR 4 11.807 -7.943 -2.545 27 HD2 TYR 4 HD2 TYR 4 8.519 -6.227 -4.629 28 HE1 TYR 4 HE1 TYR 4 10.371 -9.792 -1.789 29 HE2 TYR 4 HE2 TYR 4 7.074 -8.070 -3.878 30 HH TYR 4 HH TYR 4 8.073 -10.880 -2.831 31 H ARG 5 H ARG 5 13.346 -4.231 -1.478 32 HA ARG 5 HA ARG 5 14.863 -2.807 -3.567 33 HB2 ARG 5 1HB ARG 5 14.059 -1.219 -1.926 34 HB3 ARG 5 2HB ARG 5 14.684 -2.206 -0.611 35 HG2 ARG 5 1HG ARG 5 16.736 -1.491 -2.537 36 HG3 ARG 5 2HG ARG 5 15.960 -0.084 -1.807 37 HD2 ARG 5 1HD ARG 5 16.317 -1.609 0.380 38 HD3 ARG 5 2HD ARG 5 17.683 -2.151 -0.594 39 HE ARG 5 HE ARG 5 18.677 -0.104 -0.293 40 HH11 ARG 5 1HH1 ARG 5 15.345 0.062 0.703 41 HH12 ARG 5 2HH1 ARG 5 15.501 1.633 1.416 42 HH21 ARG 5 1HH2 ARG 5 18.895 1.964 0.643 43 HH22 ARG 5 2HH2 ARG 5 17.520 2.715 1.381 44 H CYS 6 H CYS 6 16.558 -3.981 -4.157 45 HA CYS 6 HA CYS 6 18.379 -4.996 -2.149 46 HB2 CYS 6 1HB CYS 6 16.732 -6.844 -2.507 47 HB3 CYS 6 2HB CYS 6 17.211 -6.888 -4.199 48 HG CYS 6 HG CYS 6 19.973 -7.114 -2.564 49 HA PRO 7 HA PRO 7 20.535 -3.245 -5.789 50 HB2 PRO 7 1HB PRO 7 22.583 -2.214 -4.336 51 HB3 PRO 7 2HB PRO 7 21.043 -1.374 -4.557 52 HG2 PRO 7 1HG PRO 7 21.996 -3.003 -2.233 53 HG3 PRO 7 2HG PRO 7 21.132 -1.455 -2.234 54 HD2 PRO 7 1HD PRO 7 19.888 -3.818 -1.783 55 HD3 PRO 7 2HD PRO 7 19.085 -2.455 -2.589 56 H VAL 8 H VAL 8 21.204 -5.654 -3.506 57 HA VAL 8 HA VAL 8 23.886 -6.280 -4.173 58 HB VAL 8 HB VAL 8 21.764 -8.149 -3.110 59 HG11 VAL 8 1HG1 VAL 8 24.680 -8.365 -3.552 60 HG12 VAL 8 2HG1 VAL 8 24.054 -9.025 -2.039 61 HG13 VAL 8 3HG1 VAL 8 23.431 -9.609 -3.583 62 HG21 VAL 8 3HG2 VAL 8 22.828 -7.592 -0.890 63 HG22 VAL 8 1HG2 VAL 8 23.624 -6.246 -1.704 64 HG23 VAL 8 2HG2 VAL 8 21.864 -6.307 -1.618 65 H CYS 9 H CYS 9 20.871 -6.875 -5.730 66 HA CYS 9 HA CYS 9 22.209 -8.686 -7.631 67 HB2 CYS 9 1HB CYS 9 19.229 -8.586 -7.400 68 HB3 CYS 9 2HB CYS 9 20.265 -9.916 -7.901 69 HG CYS 9 HG CYS 9 21.258 -10.137 -5.145 70 H ASP 10 H ASP 10 19.643 -6.233 -7.372 71 HA ASP 10 HA ASP 10 20.579 -4.958 -9.790 72 HB2 ASP 10 1HB ASP 10 18.489 -5.124 -11.010 73 HB3 ASP 10 2HB ASP 10 19.079 -6.743 -10.643 74 H TYR 11 H TYR 11 19.407 -2.929 -10.232 75 HA TYR 11 HA TYR 11 19.261 -1.251 -8.086 76 HB2 TYR 11 1HB TYR 11 17.950 -1.148 -10.784 77 HB3 TYR 11 2HB TYR 11 17.648 0.121 -9.602 78 HD1 TYR 11 HD2 TYR 11 19.867 1.103 -8.496 79 HD2 TYR 11 HD1 TYR 11 19.677 -0.834 -12.280 80 HE1 TYR 11 HE2 TYR 11 21.944 2.234 -9.174 81 HE2 TYR 11 HE1 TYR 11 21.753 0.290 -12.967 82 HH TYR 11 HH TYR 11 23.841 1.313 -11.567 83 H THR 12 H THR 12 17.464 -0.182 -7.028 84 HA THR 12 HA THR 12 15.234 -2.042 -6.551 85 HB THR 12 HB THR 12 16.367 -1.709 -4.508 86 HG1 THR 12 HG1 THR 12 14.363 0.279 -4.311 87 HG21 THR 12 3HG2 THR 12 16.848 0.572 -3.616 88 HG22 THR 12 1HG2 THR 12 16.368 1.234 -5.177 89 HG23 THR 12 2HG2 THR 12 17.766 0.165 -5.065 90 H TYR 13 H TYR 13 13.174 -1.424 -6.885 91 HA TYR 13 HA TYR 13 12.518 1.393 -7.205 92 HB2 TYR 13 1HB TYR 13 11.963 -0.621 -9.393 93 HB3 TYR 13 2HB TYR 13 11.456 1.065 -9.385 94 HD1 TYR 13 HD2 TYR 13 13.404 2.814 -9.153 95 HD2 TYR 13 HD1 TYR 13 13.928 -1.197 -10.473 96 HE1 TYR 13 HE2 TYR 13 15.511 3.456 -10.248 97 HE2 TYR 13 HE1 TYR 13 16.037 -0.567 -11.571 98 HH TYR 13 HH TYR 13 17.077 1.525 -12.496 99 H ASP 14 H ASP 14 10.944 1.561 -5.745 100 HA ASP 14 HA ASP 14 9.191 -0.568 -5.046 101 HB2 ASP 14 1HB ASP 14 9.775 1.171 -3.434 102 HB3 ASP 14 2HB ASP 14 9.012 2.393 -4.448 103 H GLU 15 H GLU 15 6.867 -0.581 -5.267 104 HA GLU 15 HA GLU 15 5.973 -0.336 -7.878 105 HB2 GLU 15 1HB GLU 15 4.949 -1.377 -5.563 106 HB3 GLU 15 2HB GLU 15 3.873 -0.017 -5.848 107 HG2 GLU 15 1HG GLU 15 4.380 -1.605 -8.236 108 HG3 GLU 15 2HG GLU 15 3.622 -2.516 -6.930 109 H GLY 16 H GLY 16 5.426 1.874 -5.142 110 HA2 GLY 16 1HA GLY 16 4.154 3.811 -6.904 111 HA3 GLY 16 2HA GLY 16 4.345 3.951 -5.162 112 H LYS 17 H LYS 17 7.203 3.039 -6.727 113 HA LYS 17 HA LYS 17 8.521 5.452 -6.008 114 HB2 LYS 17 1HB LYS 17 9.431 2.999 -6.304 115 HB3 LYS 17 2HB LYS 17 9.708 3.521 -7.960 116 HG2 LYS 17 1HG LYS 17 11.731 3.945 -6.921 117 HG3 LYS 17 2HG LYS 17 10.933 5.520 -6.899 118 HD2 LYS 17 1HD LYS 17 10.174 5.048 -4.585 119 HD3 LYS 17 2HD LYS 17 11.099 3.545 -4.623 120 HE2 LYS 17 1HE LYS 17 12.200 6.339 -4.905 121 HE3 LYS 17 2HE LYS 17 12.358 5.290 -3.498 122 HZ1 LYS 17 3HZ LYS 17 13.884 5.326 -5.922 123 HZ2 LYS 17 1HZ LYS 17 13.320 3.777 -5.540 124 HZ3 LYS 17 2HZ LYS 17 14.257 4.635 -4.423 125 H GLY 18 H GLY 18 7.475 4.072 -9.103 126 HA2 GLY 18 1HA GLY 18 6.867 5.195 -11.038 127 HA3 GLY 18 2HA GLY 18 7.262 6.712 -10.243 128 H ASP 19 H ASP 19 8.851 3.811 -11.563 129 HA ASP 19 HA ASP 19 10.978 5.579 -12.583 130 HB2 ASP 19 1HB ASP 19 11.120 3.028 -11.103 131 HB3 ASP 19 2HB ASP 19 12.194 3.149 -12.493 132 HA PRO 20 HA PRO 20 8.864 3.564 -16.177 133 HB2 PRO 20 1HB PRO 20 8.851 5.803 -17.712 134 HB3 PRO 20 2HB PRO 20 7.581 5.436 -16.539 135 HG2 PRO 20 1HG PRO 20 9.937 7.263 -16.271 136 HG3 PRO 20 2HG PRO 20 8.257 7.521 -15.765 137 HD2 PRO 20 1HD PRO 20 10.204 6.789 -14.031 138 HD3 PRO 20 2HD PRO 20 8.513 6.281 -13.839 139 H ARG 21 H ARG 21 11.850 5.025 -15.524 140 HA ARG 21 HA ARG 21 13.001 4.932 -18.126 141 HB2 ARG 21 1HB ARG 21 14.056 5.240 -15.344 142 HB3 ARG 21 2HB ARG 21 15.180 4.884 -16.648 143 HG2 ARG 21 1HG ARG 21 15.197 7.209 -16.464 144 HG3 ARG 21 2HG ARG 21 14.158 6.882 -17.853 145 HD2 ARG 21 1HD ARG 21 12.221 7.414 -16.688 146 HD3 ARG 21 2HD ARG 21 12.982 7.171 -15.117 147 HE ARG 21 HE ARG 21 12.938 9.581 -16.654 148 HH11 ARG 21 1HH1 ARG 21 14.765 7.752 -14.322 149 HH12 ARG 21 2HH1 ARG 21 15.563 9.142 -13.663 150 HH21 ARG 21 1HH2 ARG 21 13.982 11.418 -15.795 151 HH22 ARG 21 2HH2 ARG 21 15.116 11.227 -14.501 152 H GLU 22 H GLU 22 12.495 2.603 -15.610 153 HA GLU 22 HA GLU 22 14.305 0.685 -16.875 154 HB2 GLU 22 1HB GLU 22 13.704 1.177 -14.231 155 HB3 GLU 22 2HB GLU 22 12.746 -0.254 -14.583 156 HG2 GLU 22 1HG GLU 22 14.982 -1.125 -15.622 157 HG3 GLU 22 2HG GLU 22 15.700 0.095 -14.571 158 H GLY 23 H GLY 23 11.700 1.616 -18.030 159 HA2 GLY 23 1HA GLY 23 10.110 0.618 -19.368 160 HA3 GLY 23 2HA GLY 23 10.806 -0.940 -18.945 161 H PHE 24 H PHE 24 9.996 0.934 -16.241 162 HA PHE 24 HA PHE 24 7.365 -0.356 -16.012 163 HB2 PHE 24 1HB PHE 24 9.296 -0.152 -13.702 164 HB3 PHE 24 2HB PHE 24 7.792 -1.065 -13.777 165 HD1 PHE 24 HD1 PHE 24 7.801 -2.751 -15.930 166 HD2 PHE 24 HD2 PHE 24 11.193 -1.420 -13.731 167 HE1 PHE 24 HE1 PHE 24 9.047 -4.746 -16.651 168 HE2 PHE 24 HE2 PHE 24 12.445 -3.413 -14.449 169 HZ PHE 24 HZ PHE 24 11.372 -5.079 -15.912 170 HA PRO 25 HA PRO 25 6.947 4.140 -15.158 171 HB2 PRO 25 1HB PRO 25 4.489 4.338 -16.293 172 HB3 PRO 25 2HB PRO 25 5.988 4.441 -17.224 173 HG2 PRO 25 1HG PRO 25 4.145 2.111 -16.852 174 HG3 PRO 25 2HG PRO 25 4.944 2.681 -18.329 175 HD2 PRO 25 1HD PRO 25 5.870 0.584 -16.888 176 HD3 PRO 25 2HD PRO 25 6.945 1.676 -17.784 177 H ALA 26 H ALA 26 4.914 5.268 -14.194 178 HA ALA 26 HA ALA 26 4.391 4.243 -11.688 179 HB1 ALA 26 1HB ALA 26 3.063 6.305 -13.378 180 HB2 ALA 26 2HB ALA 26 2.286 5.799 -11.878 181 HB3 ALA 26 3HB ALA 26 3.912 6.480 -11.842 182 H GLY 27 H GLY 27 2.862 2.946 -10.781 183 HA2 GLY 27 1HA GLY 27 0.816 1.770 -10.694 184 HA3 GLY 27 2HA GLY 27 0.639 1.997 -12.428 185 H THR 28 H THR 28 3.345 1.091 -13.028 186 HA THR 28 HA THR 28 2.873 -1.584 -13.555 187 HB THR 28 HB THR 28 5.583 -0.295 -13.183 188 HG1 THR 28 HG1 THR 28 4.290 -0.671 -15.665 189 HG21 THR 28 3HG2 THR 28 4.734 -2.749 -14.726 190 HG22 THR 28 1HG2 THR 28 5.717 -2.725 -13.263 191 HG23 THR 28 2HG2 THR 28 6.344 -2.031 -14.759 192 H ARG 29 H ARG 29 2.443 -3.103 -12.088 193 HA ARG 29 HA ARG 29 3.390 -3.036 -9.412 194 HB2 ARG 29 1HB ARG 29 2.278 -5.436 -10.866 195 HB3 ARG 29 2HB ARG 29 2.278 -5.140 -9.133 196 HG2 ARG 29 1HG ARG 29 0.774 -3.479 -11.142 197 HG3 ARG 29 2HG ARG 29 0.076 -4.803 -10.207 198 HD2 ARG 29 1HD ARG 29 1.129 -3.407 -8.201 199 HD3 ARG 29 2HD ARG 29 0.900 -2.087 -9.347 200 HE ARG 29 HE ARG 29 -1.122 -3.420 -7.861 201 HH11 ARG 29 1HH1 ARG 29 -0.475 -1.893 -10.922 202 HH12 ARG 29 2HH1 ARG 29 -2.128 -1.454 -11.200 203 HH21 ARG 29 1HH2 ARG 29 -3.301 -2.848 -8.215 204 HH22 ARG 29 2HH2 ARG 29 -3.735 -1.996 -9.659 205 H TRP 30 H TRP 30 4.850 -4.450 -8.372 206 HA TRP 30 HA TRP 30 7.282 -4.851 -9.665 207 HB2 TRP 30 1HB TRP 30 7.838 -6.309 -7.689 208 HB3 TRP 30 2HB TRP 30 7.232 -4.708 -7.276 209 HD1 TRP 30 HD1 TRP 30 4.864 -4.561 -6.071 210 HE1 TRP 30 HE1 TRP 30 3.411 -6.322 -4.883 211 HE3 TRP 30 HE3 TRP 30 7.161 -8.796 -7.781 212 HZ2 TRP 30 HZ2 TRP 30 3.259 -9.134 -4.694 213 HZ3 TRP 30 HZ3 TRP 30 6.300 -10.982 -7.049 214 HH2 TRP 30 HH2 TRP 30 4.390 -11.145 -5.537 215 H ASP 31 H ASP 31 4.483 -6.906 -9.428 216 HA ASP 31 HA ASP 31 5.740 -9.340 -10.170 217 HB2 ASP 31 1HB ASP 31 3.444 -10.127 -10.646 218 HB3 ASP 31 2HB ASP 31 3.565 -9.337 -9.076 219 H GLN 32 H GLN 32 4.887 -6.539 -11.920 220 HA GLN 32 HA GLN 32 4.358 -7.636 -14.456 221 HB2 GLN 32 1HB GLN 32 5.593 -4.966 -13.760 222 HB3 GLN 32 2HB GLN 32 4.920 -5.401 -15.325 223 HG2 GLN 32 1HG GLN 32 3.294 -5.455 -12.804 224 HG3 GLN 32 2HG GLN 32 3.466 -4.008 -13.795 225 HE21 GLN 32 2HE2 GLN 32 1.126 -5.710 -13.150 226 HE22 GLN 32 1HE2 GLN 32 0.457 -6.157 -14.678 227 H ILE 33 H ILE 33 7.362 -6.760 -12.837 228 HA ILE 33 HA ILE 33 9.087 -7.019 -15.040 229 HB ILE 33 HB ILE 33 9.714 -7.544 -12.132 230 HG12 ILE 33 1HG1 ILE 33 10.702 -5.040 -13.017 231 HG13 ILE 33 2HG1 ILE 33 9.018 -5.132 -13.523 232 HG21 ILE 33 1HG2 ILE 33 11.389 -8.420 -13.716 233 HG22 ILE 33 2HG2 ILE 33 11.554 -6.805 -14.403 234 HG23 ILE 33 3HG2 ILE 33 12.016 -7.101 -12.727 235 HD11 ILE 33 3HD1 ILE 33 9.610 -5.947 -10.750 236 HD12 ILE 33 1HD1 ILE 33 9.783 -4.235 -11.134 237 HD13 ILE 33 2HD1 ILE 33 8.242 -5.049 -11.408 238 HA PRO 34 HA PRO 34 8.997 -11.391 -15.708 239 HB2 PRO 34 1HB PRO 34 11.175 -11.538 -17.323 240 HB3 PRO 34 2HB PRO 34 9.616 -10.908 -17.868 241 HG2 PRO 34 1HG PRO 34 12.054 -9.418 -16.975 242 HG3 PRO 34 2HG PRO 34 10.979 -9.086 -18.346 243 HD2 PRO 34 1HD PRO 34 10.818 -7.731 -16.007 244 HD3 PRO 34 2HD PRO 34 9.398 -8.060 -17.020 245 H ASP 35 H ASP 35 9.739 -13.020 -14.505 246 HA ASP 35 HA ASP 35 11.803 -12.672 -12.605 247 HB2 ASP 35 1HB ASP 35 10.281 -15.093 -13.560 248 HB3 ASP 35 2HB ASP 35 11.533 -15.202 -12.325 249 H ASP 36 H ASP 36 11.891 -13.438 -15.897 250 HA ASP 36 HA ASP 36 14.446 -14.846 -15.710 251 HB2 ASP 36 1HB ASP 36 12.588 -14.284 -18.023 252 HB3 ASP 36 2HB ASP 36 14.176 -15.019 -18.225 253 H TRP 37 H TRP 37 14.088 -11.969 -15.053 254 HA TRP 37 HA TRP 37 15.161 -10.362 -17.108 255 HB2 TRP 37 1HB TRP 37 13.980 -9.489 -15.097 256 HB3 TRP 37 2HB TRP 37 15.377 -9.933 -14.121 257 HD1 TRP 37 HD1 TRP 37 17.673 -8.524 -14.585 258 HE1 TRP 37 HE1 TRP 37 18.000 -6.113 -15.424 259 HE3 TRP 37 HE3 TRP 37 13.038 -7.726 -16.588 260 HZ2 TRP 37 HZ2 TRP 37 16.492 -4.135 -16.758 261 HZ3 TRP 37 HZ3 TRP 37 12.561 -5.547 -17.626 262 HH2 TRP 37 HH2 TRP 37 14.254 -3.789 -17.708 263 H CYS 38 H CYS 38 17.255 -9.604 -17.464 264 HA CYS 38 HA CYS 38 19.369 -11.320 -16.348 265 HB2 CYS 38 1HB CYS 38 19.088 -9.928 -19.002 266 HB3 CYS 38 2HB CYS 38 20.654 -10.478 -18.419 267 HG CYS 38 HG CYS 38 18.268 -12.188 -19.906 268 H CYS 39 H CYS 39 20.750 -10.417 -14.982 269 HA CYS 39 HA CYS 39 21.378 -7.565 -15.260 270 HB2 CYS 39 1HB CYS 39 20.021 -8.863 -13.018 271 HB3 CYS 39 2HB CYS 39 21.452 -7.966 -12.526 272 HG CYS 39 HG CYS 39 18.478 -6.829 -13.136 273 HA PRO 40 HA PRO 40 25.568 -8.694 -14.634 274 HB2 PRO 40 1HB PRO 40 26.523 -6.631 -13.151 275 HB3 PRO 40 2HB PRO 40 26.105 -6.472 -14.861 276 HG2 PRO 40 1HG PRO 40 24.514 -5.706 -12.444 277 HG3 PRO 40 2HG PRO 40 24.750 -4.812 -13.957 278 HD2 PRO 40 1HD PRO 40 22.509 -6.241 -13.444 279 HD3 PRO 40 2HD PRO 40 23.165 -6.050 -15.082 280 H ASP 41 H ASP 41 24.190 -7.406 -11.603 281 HA ASP 41 HA ASP 41 25.904 -9.095 -10.006 282 HB2 ASP 41 1HB ASP 41 24.701 -6.682 -9.553 283 HB3 ASP 41 2HB ASP 41 23.639 -7.775 -8.670 284 H CYS 42 H CYS 42 22.387 -8.796 -10.499 285 HA CYS 42 HA CYS 42 21.587 -10.953 -8.949 286 HB2 CYS 42 1HB CYS 42 20.105 -9.222 -10.037 287 HB3 CYS 42 2HB CYS 42 20.278 -10.118 -11.541 288 HG CYS 42 HG CYS 42 18.097 -10.559 -9.191 289 H SER 43 H SER 43 23.186 -10.914 -11.996 290 HA SER 43 HA SER 43 22.426 -13.278 -13.181 291 HB2 SER 43 1HB SER 43 23.937 -12.273 -14.546 292 HB3 SER 43 2HB SER 43 24.863 -11.611 -13.198 293 HG SER 43 HG SER 43 25.940 -13.277 -14.472 294 H VAL 44 H VAL 44 24.419 -12.791 -10.359 295 HA VAL 44 HA VAL 44 24.821 -15.704 -10.157 296 HB VAL 44 HB VAL 44 26.386 -13.568 -8.708 297 HG11 VAL 44 1HG1 VAL 44 27.884 -15.896 -8.926 298 HG12 VAL 44 2HG1 VAL 44 27.063 -15.299 -7.482 299 HG13 VAL 44 3HG1 VAL 44 26.256 -16.453 -8.544 300 HG21 VAL 44 3HG2 VAL 44 27.023 -13.197 -10.904 301 HG22 VAL 44 1HG2 VAL 44 28.208 -14.387 -10.367 302 HG23 VAL 44 2HG2 VAL 44 26.836 -14.892 -11.353 303 H ARG 45 H ARG 45 23.301 -12.974 -8.768 304 HA ARG 45 HA ARG 45 22.787 -14.415 -6.260 305 HB2 ARG 45 1HB ARG 45 22.558 -11.507 -7.016 306 HB3 ARG 45 2HB ARG 45 21.847 -12.149 -5.542 307 HG2 ARG 45 1HG ARG 45 23.899 -11.289 -4.864 308 HG3 ARG 45 2HG ARG 45 24.189 -13.024 -5.010 309 HD2 ARG 45 1HD ARG 45 25.297 -12.745 -7.094 310 HD3 ARG 45 2HD ARG 45 24.784 -11.062 -7.214 311 HE ARG 45 HE ARG 45 26.285 -11.299 -4.889 312 HH11 ARG 45 1HH1 ARG 45 26.743 -11.642 -8.323 313 HH12 ARG 45 2HH1 ARG 45 28.414 -11.186 -8.277 314 HH21 ARG 45 1HH2 ARG 45 28.483 -10.698 -4.816 315 HH22 ARG 45 2HH2 ARG 45 29.403 -10.650 -6.282 316 H GLU 46 H GLU 46 20.895 -15.387 -5.988 317 HA GLU 46 HA GLU 46 18.901 -15.559 -7.888 318 HB2 GLU 46 1HB GLU 46 18.974 -16.084 -4.942 319 HB3 GLU 46 2HB GLU 46 17.441 -16.182 -5.795 320 HG2 GLU 46 1HG GLU 46 19.816 -17.666 -6.823 321 HG3 GLU 46 2HG GLU 46 18.881 -18.310 -5.474 322 H LYS 47 H LYS 47 16.679 -14.792 -7.846 323 HA LYS 47 HA LYS 47 16.574 -11.950 -7.393 324 HB2 LYS 47 1HB LYS 47 15.561 -13.033 -9.389 325 HB3 LYS 47 2HB LYS 47 14.394 -13.821 -8.336 326 HG2 LYS 47 1HG LYS 47 13.098 -12.067 -8.814 327 HG3 LYS 47 2HG LYS 47 14.084 -11.218 -7.621 328 HD2 LYS 47 1HD LYS 47 15.230 -10.043 -9.204 329 HD3 LYS 47 2HD LYS 47 15.099 -11.327 -10.408 330 HE2 LYS 47 1HE LYS 47 12.581 -10.008 -9.593 331 HE3 LYS 47 2HE LYS 47 13.710 -9.036 -10.535 332 HZ1 LYS 47 3HZ LYS 47 13.629 -11.450 -11.821 333 HZ2 LYS 47 1HZ LYS 47 12.857 -10.027 -12.312 334 HZ3 LYS 47 2HZ LYS 47 12.019 -11.168 -11.385 335 H VAL 48 H VAL 48 15.470 -14.816 -5.782 336 HA VAL 48 HA VAL 48 13.494 -13.540 -4.154 337 HB VAL 48 HB VAL 48 13.504 -15.986 -4.657 338 HG11 VAL 48 1HG1 VAL 48 15.532 -16.357 -2.499 339 HG12 VAL 48 2HG1 VAL 48 15.052 -17.456 -3.794 340 HG13 VAL 48 3HG1 VAL 48 16.068 -16.059 -4.152 341 HG21 VAL 48 3HG2 VAL 48 12.145 -16.130 -2.906 342 HG22 VAL 48 1HG2 VAL 48 13.524 -16.222 -1.811 343 HG23 VAL 48 2HG2 VAL 48 12.854 -14.652 -2.255 344 H ASP 49 H ASP 49 16.829 -13.414 -4.165 345 HA ASP 49 HA ASP 49 17.466 -13.471 -1.425 346 HB2 ASP 49 1HB ASP 49 19.021 -13.445 -3.509 347 HB3 ASP 49 2HB ASP 49 18.899 -11.693 -3.377 348 H PHE 50 H PHE 50 15.771 -11.178 -3.305 349 HA PHE 50 HA PHE 50 16.338 -8.760 -2.103 350 HB2 PHE 50 1HB PHE 50 13.911 -9.912 -3.397 351 HB3 PHE 50 2HB PHE 50 13.739 -8.396 -2.518 352 HD1 PHE 50 HD1 PHE 50 16.071 -9.941 -4.991 353 HD2 PHE 50 HD2 PHE 50 13.948 -6.471 -3.737 354 HE1 PHE 50 HE1 PHE 50 16.924 -8.716 -6.947 355 HE2 PHE 50 HE2 PHE 50 14.796 -5.241 -5.692 356 HZ PHE 50 HZ PHE 50 16.285 -6.364 -7.301 357 H GLU 51 H GLU 51 14.811 -7.534 -0.611 358 HA GLU 51 HA GLU 51 13.693 -9.218 1.503 359 HB2 GLU 51 1HB GLU 51 16.002 -7.350 1.775 360 HB3 GLU 51 2HB GLU 51 14.848 -7.440 3.099 361 HG2 GLU 51 1HG GLU 51 16.105 -9.905 1.953 362 HG3 GLU 51 2HG GLU 51 16.913 -8.942 3.188 363 H ARG 52 H ARG 52 11.639 -8.569 1.524 364 HA ARG 52 HA ARG 52 10.701 -6.061 0.695 365 HB2 ARG 52 1HB ARG 52 9.276 -8.051 0.780 366 HB3 ARG 52 2HB ARG 52 9.391 -8.072 2.534 367 HG2 ARG 52 1HG ARG 52 8.338 -5.774 2.501 368 HG3 ARG 52 2HG ARG 52 7.997 -6.063 0.793 369 HD2 ARG 52 1HD ARG 52 6.042 -6.712 1.915 370 HD3 ARG 52 2HD ARG 52 6.878 -8.221 1.551 371 HE ARG 52 HE ARG 52 7.746 -7.611 4.042 372 HH11 ARG 52 1HH1 ARG 52 4.590 -7.898 2.600 373 HH12 ARG 52 2HH1 ARG 52 3.824 -8.411 4.067 374 HH21 ARG 52 1HH2 ARG 52 6.748 -8.285 5.979 375 HH22 ARG 52 2HH2 ARG 52 5.052 -8.630 5.988 376 H MET 53 H MET 53 10.293 -4.176 1.732 377 HA MET 53 HA MET 53 11.510 -3.808 4.330 378 HB2 MET 53 1HB MET 53 10.420 -2.008 2.211 379 HB3 MET 53 2HB MET 53 10.577 -1.384 3.847 380 HG2 MET 53 1HG MET 53 12.862 -2.691 2.411 381 HG3 MET 53 2HG MET 53 12.503 -0.973 2.249 382 HE1 MET 53 3HE MET 53 15.552 -0.661 4.273 383 HE2 MET 53 1HE MET 53 15.498 -2.409 4.042 384 HE3 MET 53 2HE MET 53 15.005 -1.331 2.736 385 H GLY 54 H GLY 54 10.225 -2.194 5.823 386 HA2 GLY 54 1HA GLY 54 7.374 -2.570 5.884 387 HA3 GLY 54 2HA GLY 54 8.214 -3.530 7.093 388 H GLY 55 H GLY 55 7.942 -0.195 5.883 389 HA2 GLY 55 1HA GLY 55 8.546 0.740 8.616 390 HA3 GLY 55 2HA GLY 55 8.800 1.684 7.155 391 H LYS 56 H LYS 56 7.561 3.152 8.778 392 HA LYS 56 HA LYS 56 4.668 2.740 8.563 393 HB2 LYS 56 1HB LYS 56 4.536 4.639 10.186 394 HB3 LYS 56 2HB LYS 56 5.401 3.233 10.794 395 HG2 LYS 56 1HG LYS 56 7.456 4.291 10.697 396 HG3 LYS 56 2HG LYS 56 6.897 5.489 9.527 397 HD2 LYS 56 1HD LYS 56 5.322 6.273 11.411 398 HD3 LYS 56 2HD LYS 56 6.383 5.352 12.479 399 HE2 LYS 56 1HE LYS 56 7.142 7.615 12.468 400 HE3 LYS 56 2HE LYS 56 8.307 6.653 11.559 401 HZ1 LYS 56 3HZ LYS 56 6.284 7.664 9.848 402 HZ2 LYS 56 1HZ LYS 56 7.959 7.889 9.770 403 HZ3 LYS 56 2HZ LYS 56 7.009 8.928 10.706 Start of MODEL 2 1 H1 MET 1 H MET 1 1.343 -0.934 0.512 2 HA MET 1 HA MET 1 1.108 -1.206 -2.391 3 HB2 MET 1 1HB MET 1 2.726 0.635 -2.737 4 HB3 MET 1 2HB MET 1 1.208 1.188 -2.044 5 HG2 MET 1 1HG MET 1 2.618 2.322 -0.699 6 HG3 MET 1 2HG MET 1 2.551 0.816 0.213 7 HE1 MET 1 3HE MET 1 4.211 3.340 -1.531 8 HE2 MET 1 1HE MET 1 5.773 3.186 -0.725 9 HE3 MET 1 2HE MET 1 5.590 2.663 -2.400 10 H THR 2 H THR 2 3.028 -1.940 -3.428 11 HA THR 2 HA THR 2 4.705 -3.535 -1.655 12 HB THR 2 HB THR 2 4.492 -3.528 -4.672 13 HG1 THR 2 HG1 THR 2 2.899 -4.866 -4.323 14 HG21 THR 2 3HG2 THR 2 6.126 -5.190 -2.769 15 HG22 THR 2 1HG2 THR 2 6.670 -4.290 -4.184 16 HG23 THR 2 2HG2 THR 2 5.707 -5.754 -4.387 17 H ALA 3 H ALA 3 6.907 -3.351 -1.488 18 HA ALA 3 HA ALA 3 8.360 -1.467 -3.140 19 HB1 ALA 3 1HB ALA 3 9.120 -0.059 -1.349 20 HB2 ALA 3 2HB ALA 3 7.356 -0.065 -1.354 21 HB3 ALA 3 3HB ALA 3 8.238 -1.020 -0.161 22 H TYR 4 H TYR 4 10.128 -2.554 -3.676 23 HA TYR 4 HA TYR 4 11.476 -4.157 -1.605 24 HB2 TYR 4 1HB TYR 4 10.861 -4.823 -4.462 25 HB3 TYR 4 2HB TYR 4 12.278 -5.523 -3.689 26 HD1 TYR 4 HD1 TYR 4 8.590 -5.283 -3.507 27 HD2 TYR 4 HD2 TYR 4 12.073 -7.321 -2.159 28 HE1 TYR 4 HE1 TYR 4 7.175 -7.032 -2.512 29 HE2 TYR 4 HE2 TYR 4 10.668 -9.076 -1.162 30 HH TYR 4 HH TYR 4 8.566 -9.649 -0.591 31 H ARG 5 H ARG 5 13.697 -4.066 -1.521 32 HA ARG 5 HA ARG 5 15.112 -2.448 -3.499 33 HB2 ARG 5 1HB ARG 5 14.437 -0.857 -1.766 34 HB3 ARG 5 2HB ARG 5 15.167 -1.875 -0.531 35 HG2 ARG 5 1HG ARG 5 16.932 -1.019 -2.736 36 HG3 ARG 5 2HG ARG 5 16.396 0.235 -1.616 37 HD2 ARG 5 1HD ARG 5 17.088 -1.803 0.075 38 HD3 ARG 5 2HD ARG 5 18.275 -1.972 -1.218 39 HE ARG 5 HE ARG 5 18.205 0.056 0.764 40 HH11 ARG 5 1HH1 ARG 5 18.973 -0.511 -2.584 41 HH12 ARG 5 2HH1 ARG 5 20.128 0.777 -2.672 42 HH21 ARG 5 1HH2 ARG 5 19.724 1.754 0.661 43 HH22 ARG 5 2HH2 ARG 5 20.556 2.064 -0.825 44 H CYS 6 H CYS 6 16.607 -3.839 -4.184 45 HA CYS 6 HA CYS 6 18.508 -4.913 -2.282 46 HB2 CYS 6 1HB CYS 6 16.383 -6.533 -3.233 47 HB3 CYS 6 2HB CYS 6 17.849 -7.081 -4.036 48 HG CYS 6 HG CYS 6 19.148 -7.948 -1.875 49 HA PRO 7 HA PRO 7 20.495 -3.491 -6.150 50 HB2 PRO 7 1HB PRO 7 22.743 -2.607 -4.910 51 HB3 PRO 7 2HB PRO 7 21.270 -1.638 -5.036 52 HG2 PRO 7 1HG PRO 7 22.270 -3.275 -2.738 53 HG3 PRO 7 2HG PRO 7 21.549 -1.655 -2.727 54 HD2 PRO 7 1HD PRO 7 20.145 -3.880 -2.085 55 HD3 PRO 7 2HD PRO 7 19.399 -2.475 -2.874 56 H VAL 8 H VAL 8 21.146 -5.877 -3.836 57 HA VAL 8 HA VAL 8 23.697 -6.770 -4.617 58 HB VAL 8 HB VAL 8 22.503 -7.492 -2.547 59 HG11 VAL 8 1HG1 VAL 8 20.767 -9.049 -2.565 60 HG12 VAL 8 2HG1 VAL 8 20.341 -7.936 -3.866 61 HG13 VAL 8 3HG1 VAL 8 21.063 -9.501 -4.243 62 HG21 VAL 8 3HG2 VAL 8 23.057 -10.105 -3.591 63 HG22 VAL 8 1HG2 VAL 8 24.234 -8.948 -4.212 64 HG23 VAL 8 2HG2 VAL 8 24.007 -9.127 -2.472 65 H CYS 9 H CYS 9 20.632 -7.004 -6.147 66 HA CYS 9 HA CYS 9 21.740 -8.925 -8.088 67 HB2 CYS 9 1HB CYS 9 19.165 -9.247 -8.575 68 HB3 CYS 9 2HB CYS 9 19.953 -10.120 -7.267 69 HG CYS 9 HG CYS 9 17.953 -9.466 -5.760 70 H ASP 10 H ASP 10 19.385 -6.271 -7.768 71 HA ASP 10 HA ASP 10 20.429 -5.014 -10.150 72 HB2 ASP 10 1HB ASP 10 18.372 -5.020 -11.411 73 HB3 ASP 10 2HB ASP 10 18.796 -6.687 -11.027 74 H TYR 11 H TYR 11 19.432 -2.892 -10.544 75 HA TYR 11 HA TYR 11 19.358 -1.279 -8.335 76 HB2 TYR 11 1HB TYR 11 17.977 -0.894 -10.995 77 HB3 TYR 11 2HB TYR 11 18.130 0.372 -9.782 78 HD1 TYR 11 HD1 TYR 11 20.365 1.279 -9.218 79 HD2 TYR 11 HD2 TYR 11 19.819 -1.506 -12.387 80 HE1 TYR 11 HE1 TYR 11 22.572 1.883 -10.121 81 HE2 TYR 11 HE2 TYR 11 22.025 -0.911 -13.298 82 HH TYR 11 HH TYR 11 23.594 1.674 -12.773 83 H THR 12 H THR 12 17.630 -0.116 -7.284 84 HA THR 12 HA THR 12 15.213 -1.771 -7.000 85 HB THR 12 HB THR 12 16.319 -1.664 -4.906 86 HG1 THR 12 HG1 THR 12 13.964 -1.008 -5.054 87 HG21 THR 12 3HG2 THR 12 16.495 0.946 -4.072 88 HG22 THR 12 1HG2 THR 12 16.972 1.054 -5.766 89 HG23 THR 12 2HG2 THR 12 17.837 -0.027 -4.673 90 H TYR 13 H TYR 13 13.212 -0.903 -7.245 91 HA TYR 13 HA TYR 13 12.896 1.978 -7.505 92 HB2 TYR 13 1HB TYR 13 12.045 0.107 -9.723 93 HB3 TYR 13 2HB TYR 13 11.828 1.853 -9.684 94 HD1 TYR 13 HD2 TYR 13 13.970 3.290 -9.572 95 HD2 TYR 13 HD1 TYR 13 13.951 -0.813 -10.698 96 HE1 TYR 13 HE2 TYR 13 16.147 3.590 -10.676 97 HE2 TYR 13 HE1 TYR 13 16.129 -0.525 -11.804 98 HH TYR 13 HH TYR 13 17.418 1.454 -12.846 99 H ASP 14 H ASP 14 11.446 2.176 -5.894 100 HA ASP 14 HA ASP 14 9.390 0.284 -5.363 101 HB2 ASP 14 1HB ASP 14 10.382 1.828 -3.661 102 HB3 ASP 14 2HB ASP 14 9.539 3.161 -4.445 103 H GLU 15 H GLU 15 7.236 0.306 -5.868 104 HA GLU 15 HA GLU 15 6.403 1.326 -8.296 105 HB2 GLU 15 1HB GLU 15 4.716 0.619 -5.889 106 HB3 GLU 15 2HB GLU 15 4.092 0.858 -7.515 107 HG2 GLU 15 1HG GLU 15 5.793 -0.986 -8.166 108 HG3 GLU 15 2HG GLU 15 5.770 -1.363 -6.444 109 H GLY 16 H GLY 16 5.745 2.638 -5.050 110 HA2 GLY 16 1HA GLY 16 4.249 4.861 -5.871 111 HA3 GLY 16 2HA GLY 16 5.142 4.742 -4.362 112 H LYS 17 H LYS 17 7.601 4.245 -6.173 113 HA LYS 17 HA LYS 17 8.359 7.039 -6.291 114 HB2 LYS 17 1HB LYS 17 9.731 4.755 -5.669 115 HB3 LYS 17 2HB LYS 17 10.254 5.041 -7.323 116 HG2 LYS 17 1HG LYS 17 11.744 6.468 -6.521 117 HG3 LYS 17 2HG LYS 17 10.405 7.530 -6.078 118 HD2 LYS 17 1HD LYS 17 11.471 7.295 -4.053 119 HD3 LYS 17 2HD LYS 17 10.286 5.990 -3.961 120 HE2 LYS 17 1HE LYS 17 12.210 4.584 -5.051 121 HE3 LYS 17 2HE LYS 17 13.237 5.857 -4.393 122 HZ1 LYS 17 3HZ LYS 17 12.829 3.837 -2.945 123 HZ2 LYS 17 1HZ LYS 17 11.260 4.428 -2.720 124 HZ3 LYS 17 2HZ LYS 17 12.589 5.347 -2.221 125 H GLY 18 H GLY 18 8.149 4.299 -8.553 126 HA2 GLY 18 1HA GLY 18 7.181 4.665 -10.747 127 HA3 GLY 18 2HA GLY 18 7.898 6.269 -10.735 128 H ASP 19 H ASP 19 9.822 6.551 -11.682 129 HA ASP 19 HA ASP 19 11.749 6.110 -12.807 130 HB2 ASP 19 1HB ASP 19 11.900 3.405 -11.511 131 HB3 ASP 19 2HB ASP 19 13.210 4.501 -11.945 132 HA PRO 20 HA PRO 20 9.298 3.461 -15.743 133 HB2 PRO 20 1HB PRO 20 9.280 5.285 -17.754 134 HB3 PRO 20 2HB PRO 20 8.063 5.256 -16.472 135 HG2 PRO 20 1HG PRO 20 10.492 6.985 -16.739 136 HG3 PRO 20 2HG PRO 20 8.851 7.430 -16.233 137 HD2 PRO 20 1HD PRO 20 10.862 7.027 -14.465 138 HD3 PRO 20 2HD PRO 20 9.167 6.656 -14.086 139 H ARG 21 H ARG 21 12.361 4.914 -15.593 140 HA ARG 21 HA ARG 21 13.490 4.448 -18.071 141 HB2 ARG 21 1HB ARG 21 14.472 4.744 -15.324 142 HB3 ARG 21 2HB ARG 21 15.530 3.788 -16.353 143 HG2 ARG 21 1HG ARG 21 16.372 5.871 -16.727 144 HG3 ARG 21 2HG ARG 21 15.175 5.788 -18.021 145 HD2 ARG 21 1HD ARG 21 13.574 6.839 -16.285 146 HD3 ARG 21 2HD ARG 21 15.049 7.269 -15.420 147 HE ARG 21 HE ARG 21 15.275 8.081 -18.102 148 HH11 ARG 21 1HH1 ARG 21 13.543 8.870 -15.187 149 HH12 ARG 21 2HH1 ARG 21 13.348 10.541 -15.600 150 HH21 ARG 21 1HH2 ARG 21 15.024 10.279 -18.657 151 HH22 ARG 21 2HH2 ARG 21 14.189 11.341 -17.575 152 H GLU 22 H GLU 22 13.336 2.207 -15.307 153 HA GLU 22 HA GLU 22 14.510 0.038 -16.728 154 HB2 GLU 22 1HB GLU 22 13.516 0.547 -14.061 155 HB3 GLU 22 2HB GLU 22 12.984 -1.029 -14.631 156 HG2 GLU 22 1HG GLU 22 15.093 -1.147 -13.399 157 HG3 GLU 22 2HG GLU 22 15.265 -1.685 -15.069 158 H GLY 23 H GLY 23 11.462 1.446 -16.876 159 HA2 GLY 23 1HA GLY 23 9.847 0.789 -18.485 160 HA3 GLY 23 2HA GLY 23 10.454 -0.857 -18.383 161 H PHE 24 H PHE 24 9.844 0.936 -15.478 162 HA PHE 24 HA PHE 24 7.257 -0.390 -15.121 163 HB2 PHE 24 1HB PHE 24 9.370 -0.439 -12.967 164 HB3 PHE 24 2HB PHE 24 7.833 -1.297 -12.992 165 HD1 PHE 24 HD1 PHE 24 7.545 -2.933 -15.056 166 HD2 PHE 24 HD2 PHE 24 11.271 -1.613 -13.477 167 HE1 PHE 24 HE1 PHE 24 8.655 -4.894 -16.044 168 HE2 PHE 24 HE2 PHE 24 12.387 -3.571 -14.463 169 HZ PHE 24 HZ PHE 24 11.079 -5.215 -15.749 170 HA PRO 25 HA PRO 25 7.041 4.021 -13.848 171 HB2 PRO 25 1HB PRO 25 4.513 4.379 -14.770 172 HB3 PRO 25 2HB PRO 25 5.941 4.529 -15.801 173 HG2 PRO 25 1HG PRO 25 4.060 2.220 -15.495 174 HG3 PRO 25 2HG PRO 25 4.765 2.901 -16.973 175 HD2 PRO 25 1HD PRO 25 5.731 0.662 -15.797 176 HD3 PRO 25 2HD PRO 25 6.769 1.804 -16.673 177 H ALA 26 H ALA 26 5.230 5.113 -12.564 178 HA ALA 26 HA ALA 26 4.812 3.808 -10.168 179 HB1 ALA 26 1HB ALA 26 3.268 6.073 -11.417 180 HB2 ALA 26 2HB ALA 26 3.049 5.539 -9.750 181 HB3 ALA 26 3HB ALA 26 4.607 6.179 -10.272 182 H GLY 27 H GLY 27 3.565 2.159 -9.588 183 HA2 GLY 27 1HA GLY 27 1.294 1.288 -9.387 184 HA3 GLY 27 2HA GLY 27 1.051 1.719 -11.074 185 H THR 28 H THR 28 3.778 0.703 -11.749 186 HA THR 28 HA THR 28 3.080 -1.844 -12.629 187 HB THR 28 HB THR 28 5.900 -0.882 -12.122 188 HG1 THR 28 HG1 THR 28 4.358 -0.590 -14.499 189 HG21 THR 28 3HG2 THR 28 4.793 -3.279 -13.256 190 HG22 THR 28 1HG2 THR 28 6.482 -2.857 -12.977 191 HG23 THR 28 2HG2 THR 28 5.694 -2.392 -14.485 192 H ARG 29 H ARG 29 2.548 -3.496 -11.352 193 HA ARG 29 HA ARG 29 3.393 -3.829 -8.690 194 HB2 ARG 29 1HB ARG 29 2.295 -5.887 -10.614 195 HB3 ARG 29 2HB ARG 29 2.416 -6.087 -8.871 196 HG2 ARG 29 1HG ARG 29 0.792 -3.941 -10.218 197 HG3 ARG 29 2HG ARG 29 0.147 -5.490 -9.673 198 HD2 ARG 29 1HD ARG 29 1.120 -4.869 -7.384 199 HD3 ARG 29 2HD ARG 29 1.258 -3.235 -8.034 200 HE ARG 29 HE ARG 29 -1.153 -4.593 -7.244 201 HH11 ARG 29 1HH1 ARG 29 0.207 -2.047 -9.190 202 HH12 ARG 29 2HH1 ARG 29 -1.263 -1.133 -9.254 203 HH21 ARG 29 1HH2 ARG 29 -3.095 -3.398 -7.321 204 HH22 ARG 29 2HH2 ARG 29 -3.140 -1.902 -8.190 205 H TRP 30 H TRP 30 5.117 -4.790 -7.797 206 HA TRP 30 HA TRP 30 7.428 -5.318 -9.260 207 HB2 TRP 30 1HB TRP 30 6.542 -5.738 -6.469 208 HB3 TRP 30 2HB TRP 30 7.885 -6.744 -7.004 209 HD1 TRP 30 HD1 TRP 30 6.949 -3.031 -6.558 210 HE1 TRP 30 HE1 TRP 30 9.124 -1.677 -6.310 211 HE3 TRP 30 HE3 TRP 30 10.332 -6.756 -7.459 212 HZ2 TRP 30 HZ2 TRP 30 11.905 -2.128 -6.475 213 HZ3 TRP 30 HZ3 TRP 30 12.731 -6.212 -7.396 214 HH2 TRP 30 HH2 TRP 30 13.499 -3.945 -6.914 215 H ASP 31 H ASP 31 4.739 -7.367 -8.470 216 HA ASP 31 HA ASP 31 6.025 -9.860 -8.948 217 HB2 ASP 31 1HB ASP 31 3.622 -10.680 -9.208 218 HB3 ASP 31 2HB ASP 31 4.040 -9.945 -7.663 219 H GLN 32 H GLN 32 4.601 -7.444 -10.983 220 HA GLN 32 HA GLN 32 4.115 -9.053 -13.260 221 HB2 GLN 32 1HB GLN 32 3.234 -6.705 -12.783 222 HB3 GLN 32 2HB GLN 32 4.803 -6.120 -13.319 223 HG2 GLN 32 1HG GLN 32 3.434 -5.949 -15.195 224 HG3 GLN 32 2HG GLN 32 4.375 -7.415 -15.464 225 HE21 GLN 32 2HE2 GLN 32 1.398 -6.576 -13.717 226 HE22 GLN 32 1HE2 GLN 32 0.441 -7.843 -14.397 227 H ILE 33 H ILE 33 6.966 -7.559 -11.960 228 HA ILE 33 HA ILE 33 8.605 -7.365 -14.176 229 HB ILE 33 HB ILE 33 9.437 -8.274 -11.418 230 HG12 ILE 33 1HG1 ILE 33 9.264 -5.495 -12.604 231 HG13 ILE 33 2HG1 ILE 33 8.192 -6.155 -11.373 232 HG21 ILE 33 1HG2 ILE 33 11.636 -7.454 -11.996 233 HG22 ILE 33 2HG2 ILE 33 11.123 -8.659 -13.176 234 HG23 ILE 33 3HG2 ILE 33 11.060 -6.944 -13.582 235 HD11 ILE 33 3HD1 ILE 33 9.558 -5.373 -9.828 236 HD12 ILE 33 1HD1 ILE 33 10.811 -6.471 -10.408 237 HD13 ILE 33 2HD1 ILE 33 10.698 -4.837 -11.062 238 HA PRO 34 HA PRO 34 9.013 -11.544 -15.568 239 HB2 PRO 34 1HB PRO 34 11.110 -11.147 -17.246 240 HB3 PRO 34 2HB PRO 34 9.461 -10.640 -17.632 241 HG2 PRO 34 1HG PRO 34 11.743 -9.018 -16.571 242 HG3 PRO 34 2HG PRO 34 10.570 -8.605 -17.835 243 HD2 PRO 34 1HD PRO 34 10.362 -7.683 -15.298 244 HD3 PRO 34 2HD PRO 34 8.943 -8.021 -16.310 245 H ASP 35 H ASP 35 9.956 -13.204 -14.575 246 HA ASP 35 HA ASP 35 12.256 -12.817 -12.898 247 HB2 ASP 35 1HB ASP 35 11.001 -15.469 -13.595 248 HB3 ASP 35 2HB ASP 35 11.891 -15.035 -12.138 249 H ASP 36 H ASP 36 11.764 -13.664 -16.148 250 HA ASP 36 HA ASP 36 14.116 -15.290 -16.458 251 HB2 ASP 36 1HB ASP 36 12.128 -14.069 -18.352 252 HB3 ASP 36 2HB ASP 36 13.619 -14.785 -18.959 253 H TRP 37 H TRP 37 13.413 -11.931 -16.414 254 HA TRP 37 HA TRP 37 15.328 -10.835 -18.071 255 HB2 TRP 37 1HB TRP 37 13.540 -9.833 -16.269 256 HB3 TRP 37 2HB TRP 37 15.068 -9.487 -15.464 257 HD1 TRP 37 HD1 TRP 37 16.289 -7.353 -16.216 258 HE1 TRP 37 HE1 TRP 37 16.032 -5.687 -18.160 259 HE3 TRP 37 HE3 TRP 37 12.740 -9.826 -18.941 260 HZ2 TRP 37 HZ2 TRP 37 14.523 -5.451 -20.535 261 HZ3 TRP 37 HZ3 TRP 37 11.943 -8.812 -21.036 262 HH2 TRP 37 HH2 TRP 37 12.817 -6.669 -21.814 263 H CYS 38 H CYS 38 17.489 -10.516 -18.000 264 HA CYS 38 HA CYS 38 18.946 -11.864 -15.849 265 HB2 CYS 38 1HB CYS 38 19.591 -11.134 -18.680 266 HB3 CYS 38 2HB CYS 38 20.906 -11.372 -17.535 267 HG CYS 38 HG CYS 38 21.021 -13.849 -18.243 268 H CYS 39 H CYS 39 21.132 -10.823 -15.318 269 HA CYS 39 HA CYS 39 21.318 -7.973 -15.495 270 HB2 CYS 39 1HB CYS 39 20.009 -9.194 -13.178 271 HB3 CYS 39 2HB CYS 39 21.357 -8.151 -12.743 272 HG CYS 39 HG CYS 39 20.221 -6.031 -14.428 273 HA PRO 40 HA PRO 40 25.557 -8.774 -14.712 274 HB2 PRO 40 1HB PRO 40 26.342 -6.553 -13.363 275 HB3 PRO 40 2HB PRO 40 25.954 -6.542 -15.087 276 HG2 PRO 40 1HG PRO 40 24.262 -5.715 -12.760 277 HG3 PRO 40 2HG PRO 40 24.475 -4.916 -14.329 278 HD2 PRO 40 1HD PRO 40 22.319 -6.451 -13.755 279 HD3 PRO 40 2HD PRO 40 22.998 -6.332 -15.391 280 H ASP 41 H ASP 41 24.016 -7.382 -11.808 281 HA ASP 41 HA ASP 41 25.808 -8.807 -10.055 282 HB2 ASP 41 1HB ASP 41 23.869 -6.653 -9.818 283 HB3 ASP 41 2HB ASP 41 23.717 -7.816 -8.504 284 H CYS 42 H CYS 42 22.315 -8.895 -10.736 285 HA CYS 42 HA CYS 42 21.657 -11.006 -9.040 286 HB2 CYS 42 1HB CYS 42 20.075 -9.473 -10.305 287 HB3 CYS 42 2HB CYS 42 20.351 -10.492 -11.712 288 HG CYS 42 HG CYS 42 19.117 -11.704 -8.762 289 H SER 43 H SER 43 23.333 -11.002 -12.048 290 HA SER 43 HA SER 43 22.831 -13.497 -13.094 291 HB2 SER 43 1HB SER 43 24.252 -12.318 -14.455 292 HB3 SER 43 2HB SER 43 25.187 -11.677 -13.104 293 HG SER 43 HG SER 43 25.788 -13.722 -14.657 294 H VAL 44 H VAL 44 24.702 -12.646 -10.273 295 HA VAL 44 HA VAL 44 25.340 -15.495 -9.862 296 HB VAL 44 HB VAL 44 27.343 -14.103 -10.026 297 HG11 VAL 44 1HG1 VAL 44 27.286 -12.013 -9.276 298 HG12 VAL 44 2HG1 VAL 44 25.787 -12.318 -8.395 299 HG13 VAL 44 3HG1 VAL 44 27.343 -12.651 -7.633 300 HG21 VAL 44 3HG2 VAL 44 27.107 -16.067 -8.399 301 HG22 VAL 44 1HG2 VAL 44 28.459 -14.961 -8.155 302 HG23 VAL 44 2HG2 VAL 44 27.027 -14.842 -7.133 303 H ARG 45 H ARG 45 23.615 -12.787 -8.680 304 HA ARG 45 HA ARG 45 23.191 -14.076 -6.074 305 HB2 ARG 45 1HB ARG 45 22.490 -11.271 -6.963 306 HB3 ARG 45 2HB ARG 45 22.285 -11.921 -5.342 307 HG2 ARG 45 1HG ARG 45 24.912 -11.557 -6.769 308 HG3 ARG 45 2HG ARG 45 24.263 -10.506 -5.509 309 HD2 ARG 45 1HD ARG 45 24.133 -12.755 -4.155 310 HD3 ARG 45 2HD ARG 45 25.368 -13.266 -5.304 311 HE ARG 45 HE ARG 45 26.066 -10.764 -4.214 312 HH11 ARG 45 1HH1 ARG 45 25.831 -14.127 -3.344 313 HH12 ARG 45 2HH1 ARG 45 27.072 -14.036 -2.138 314 HH21 ARG 45 1HH2 ARG 45 27.700 -10.632 -2.629 315 HH22 ARG 45 2HH2 ARG 45 28.134 -12.047 -1.731 316 H GLU 46 H GLU 46 21.345 -15.102 -5.680 317 HA GLU 46 HA GLU 46 19.393 -15.608 -7.565 318 HB2 GLU 46 1HB GLU 46 19.893 -16.643 -5.178 319 HB3 GLU 46 2HB GLU 46 18.602 -15.556 -4.689 320 HG2 GLU 46 1HG GLU 46 17.543 -17.587 -5.118 321 HG3 GLU 46 2HG GLU 46 17.224 -16.605 -6.547 322 H LYS 47 H LYS 47 17.182 -14.940 -7.735 323 HA LYS 47 HA LYS 47 16.886 -12.082 -7.461 324 HB2 LYS 47 1HB LYS 47 16.113 -13.533 -9.439 325 HB3 LYS 47 2HB LYS 47 14.759 -13.988 -8.414 326 HG2 LYS 47 1HG LYS 47 13.923 -11.792 -8.361 327 HG3 LYS 47 2HG LYS 47 15.424 -11.121 -9.004 328 HD2 LYS 47 1HD LYS 47 15.014 -12.064 -11.154 329 HD3 LYS 47 2HD LYS 47 13.668 -13.028 -10.542 330 HE2 LYS 47 1HE LYS 47 12.552 -11.286 -11.547 331 HE3 LYS 47 2HE LYS 47 12.679 -10.699 -9.890 332 HZ1 LYS 47 3HZ LYS 47 14.107 -9.803 -12.291 333 HZ2 LYS 47 1HZ LYS 47 14.876 -9.661 -10.791 334 HZ3 LYS 47 2HZ LYS 47 13.396 -8.889 -11.058 335 H VAL 48 H VAL 48 16.058 -14.842 -5.642 336 HA VAL 48 HA VAL 48 13.722 -13.804 -4.362 337 HB VAL 48 HB VAL 48 14.270 -16.240 -4.505 338 HG11 VAL 48 1HG1 VAL 48 16.730 -15.641 -3.723 339 HG12 VAL 48 2HG1 VAL 48 16.041 -15.981 -2.135 340 HG13 VAL 48 3HG1 VAL 48 16.006 -17.215 -3.395 341 HG21 VAL 48 3HG2 VAL 48 12.965 -14.841 -2.530 342 HG22 VAL 48 1HG2 VAL 48 12.901 -16.587 -2.772 343 HG23 VAL 48 2HG2 VAL 48 14.043 -15.898 -1.619 344 H ASP 49 H ASP 49 16.935 -12.961 -4.160 345 HA ASP 49 HA ASP 49 17.317 -12.554 -1.403 346 HB2 ASP 49 1HB ASP 49 18.988 -12.399 -3.418 347 HB3 ASP 49 2HB ASP 49 18.513 -10.703 -3.433 348 H PHE 50 H PHE 50 15.501 -10.807 -3.771 349 HA PHE 50 HA PHE 50 15.397 -8.255 -2.730 350 HB2 PHE 50 1HB PHE 50 13.543 -9.937 -4.327 351 HB3 PHE 50 2HB PHE 50 12.856 -8.504 -3.569 352 HD1 PHE 50 HD2 PHE 50 14.100 -6.277 -3.976 353 HD2 PHE 50 HD1 PHE 50 14.624 -9.764 -6.361 354 HE1 PHE 50 HE2 PHE 50 14.976 -4.888 -5.808 355 HE2 PHE 50 HE1 PHE 50 15.502 -8.380 -8.196 356 HZ PHE 50 HZ PHE 50 15.678 -5.939 -7.922 357 H GLU 51 H GLU 51 14.409 -7.267 -1.052 358 HA GLU 51 HA GLU 51 12.605 -8.863 0.632 359 HB2 GLU 51 1HB GLU 51 14.989 -7.250 1.538 360 HB3 GLU 51 2HB GLU 51 13.715 -7.772 2.630 361 HG2 GLU 51 1HG GLU 51 15.080 -9.798 0.931 362 HG3 GLU 51 2HG GLU 51 15.906 -9.167 2.355 363 H ARG 52 H ARG 52 10.904 -7.779 1.509 364 HA ARG 52 HA ARG 52 10.088 -5.358 0.333 365 HB2 ARG 52 1HB ARG 52 8.244 -5.414 1.980 366 HB3 ARG 52 2HB ARG 52 8.468 -6.957 1.166 367 HG2 ARG 52 1HG ARG 52 9.830 -7.665 3.180 368 HG3 ARG 52 2HG ARG 52 9.214 -6.216 3.977 369 HD2 ARG 52 1HD ARG 52 6.927 -6.985 3.627 370 HD3 ARG 52 2HD ARG 52 7.527 -8.418 2.793 371 HE ARG 52 HE ARG 52 7.398 -7.994 5.623 372 HH11 ARG 52 1HH1 ARG 52 9.079 -9.672 3.078 373 HH12 ARG 52 2HH1 ARG 52 9.615 -10.961 4.104 374 HH21 ARG 52 1HH2 ARG 52 8.097 -9.686 6.984 375 HH22 ARG 52 2HH2 ARG 52 9.055 -10.968 6.325 376 H MET 53 H MET 53 10.066 -3.263 1.053 377 HA MET 53 HA MET 53 11.802 -2.695 3.357 378 HB2 MET 53 1HB MET 53 12.101 -0.460 2.341 379 HB3 MET 53 2HB MET 53 12.626 -1.760 1.279 380 HG2 MET 53 1HG MET 53 10.947 -1.406 -0.220 381 HG3 MET 53 2HG MET 53 9.848 -0.758 0.995 382 HE1 MET 53 3HE MET 53 12.838 1.334 -1.634 383 HE2 MET 53 1HE MET 53 12.478 -0.385 -1.472 384 HE3 MET 53 2HE MET 53 11.307 0.693 -2.231 385 H GLY 54 H GLY 54 9.345 -3.413 4.139 386 HA2 GLY 54 1HA GLY 54 8.429 -1.543 5.842 387 HA3 GLY 54 2HA GLY 54 7.612 -1.099 4.351 388 H GLY 55 H GLY 55 5.796 -2.157 3.778 389 HA2 GLY 55 1HA GLY 55 4.234 -3.890 3.711 390 HA3 GLY 55 2HA GLY 55 5.211 -4.784 4.865 391 H LYS 56 H LYS 56 3.752 -5.295 6.401 392 HA LYS 56 HA LYS 56 2.162 -3.106 7.561 393 HB2 LYS 56 1HB LYS 56 0.918 -5.068 6.634 394 HB3 LYS 56 2HB LYS 56 1.708 -6.082 7.834 395 HG2 LYS 56 1HG LYS 56 -0.454 -5.567 8.654 396 HG3 LYS 56 2HG LYS 56 0.700 -4.627 9.602 397 HD2 LYS 56 1HD LYS 56 0.186 -2.636 8.387 398 HD3 LYS 56 2HD LYS 56 -0.775 -3.535 7.211 399 HE2 LYS 56 1HE LYS 56 -1.455 -3.439 10.139 400 HE3 LYS 56 2HE LYS 56 -2.059 -2.253 8.983 401 HZ1 LYS 56 3HZ LYS 56 -2.531 -5.184 8.909 402 HZ2 LYS 56 1HZ LYS 56 -3.037 -4.098 7.715 403 HZ3 LYS 56 2HZ LYS 56 -3.670 -3.989 9.280 Start of MODEL 3 1 H1 MET 1 H MET 1 1.541 -0.692 1.613 2 HA MET 1 HA MET 1 1.428 -2.305 -0.725 3 HB2 MET 1 1HB MET 1 2.836 0.276 -0.067 4 HB3 MET 1 2HB MET 1 2.992 -0.497 -1.638 5 HG2 MET 1 1HG MET 1 1.283 0.918 -2.091 6 HG3 MET 1 2HG MET 1 0.358 -0.470 -1.521 7 HE1 MET 1 3HE MET 1 -1.588 1.913 -1.244 8 HE2 MET 1 1HE MET 1 -0.944 3.295 -0.357 9 HE3 MET 1 2HE MET 1 -0.131 2.728 -1.816 10 H THR 2 H THR 2 3.293 -2.994 -1.997 11 HA THR 2 HA THR 2 5.292 -4.243 -0.284 12 HB THR 2 HB THR 2 4.697 -4.634 -3.223 13 HG1 THR 2 HG1 THR 2 4.233 -6.360 -1.002 14 HG21 THR 2 3HG2 THR 2 6.938 -5.230 -3.056 15 HG22 THR 2 1HG2 THR 2 6.113 -6.759 -2.751 16 HG23 THR 2 2HG2 THR 2 6.761 -5.823 -1.404 17 H ALA 3 H ALA 3 7.496 -3.960 -0.490 18 HA ALA 3 HA ALA 3 8.538 -2.126 -2.486 19 HB1 ALA 3 1HB ALA 3 9.500 -1.349 0.148 20 HB2 ALA 3 2HB ALA 3 8.917 -0.352 -1.186 21 HB3 ALA 3 3HB ALA 3 7.769 -1.078 -0.060 22 H TYR 4 H TYR 4 10.265 -3.125 -3.266 23 HA TYR 4 HA TYR 4 11.902 -4.753 -1.438 24 HB2 TYR 4 1HB TYR 4 11.291 -5.022 -4.370 25 HB3 TYR 4 2HB TYR 4 12.706 -5.795 -3.664 26 HD1 TYR 4 HD1 TYR 4 12.411 -7.543 -1.918 27 HD2 TYR 4 HD2 TYR 4 9.106 -5.909 -4.041 28 HE1 TYR 4 HE1 TYR 4 11.024 -9.447 -1.211 29 HE2 TYR 4 HE2 TYR 4 7.709 -7.808 -3.339 30 HH TYR 4 HH TYR 4 8.755 -10.588 -2.337 31 H ARG 5 H ARG 5 13.962 -4.204 -1.103 32 HA ARG 5 HA ARG 5 15.283 -2.394 -2.997 33 HB2 ARG 5 1HB ARG 5 14.291 -1.204 -0.943 34 HB3 ARG 5 2HB ARG 5 15.553 -2.013 -0.025 35 HG2 ARG 5 1HG ARG 5 16.267 -0.412 -2.440 36 HG3 ARG 5 2HG ARG 5 15.934 0.395 -0.906 37 HD2 ARG 5 1HD ARG 5 17.641 -1.038 0.169 38 HD3 ARG 5 2HD ARG 5 18.011 -1.733 -1.409 39 HE ARG 5 HE ARG 5 19.203 0.153 -1.920 40 HH11 ARG 5 1HH1 ARG 5 17.187 0.792 0.846 41 HH12 ARG 5 2HH1 ARG 5 17.893 2.341 1.166 42 HH21 ARG 5 1HH2 ARG 5 20.140 2.192 -1.508 43 HH22 ARG 5 2HH2 ARG 5 19.572 3.137 -0.174 44 H CYS 6 H CYS 6 16.786 -3.775 -3.763 45 HA CYS 6 HA CYS 6 18.875 -4.625 -1.953 46 HB2 CYS 6 1HB CYS 6 16.940 -6.443 -2.253 47 HB3 CYS 6 2HB CYS 6 17.863 -6.806 -3.706 48 HG CYS 6 HG CYS 6 18.766 -7.198 -0.459 49 HA PRO 7 HA PRO 7 20.456 -3.219 -6.020 50 HB2 PRO 7 1HB PRO 7 22.658 -2.018 -4.980 51 HB3 PRO 7 2HB PRO 7 21.081 -1.223 -5.068 52 HG2 PRO 7 1HG PRO 7 22.386 -2.590 -2.746 53 HG3 PRO 7 2HG PRO 7 21.490 -1.060 -2.784 54 HD2 PRO 7 1HD PRO 7 20.382 -3.376 -1.925 55 HD3 PRO 7 2HD PRO 7 19.441 -2.114 -2.746 56 H VAL 8 H VAL 8 21.630 -5.251 -3.521 57 HA VAL 8 HA VAL 8 24.169 -5.943 -4.436 58 HB VAL 8 HB VAL 8 22.149 -7.728 -3.071 59 HG11 VAL 8 1HG1 VAL 8 24.984 -8.095 -3.844 60 HG12 VAL 8 2HG1 VAL 8 24.500 -8.682 -2.252 61 HG13 VAL 8 3HG1 VAL 8 23.685 -9.278 -3.698 62 HG21 VAL 8 3HG2 VAL 8 23.621 -7.122 -1.056 63 HG22 VAL 8 1HG2 VAL 8 24.183 -5.776 -2.047 64 HG23 VAL 8 2HG2 VAL 8 22.474 -5.913 -1.634 65 H CYS 9 H CYS 9 21.057 -6.700 -5.715 66 HA CYS 9 HA CYS 9 22.284 -8.608 -7.595 67 HB2 CYS 9 1HB CYS 9 19.322 -8.454 -7.176 68 HB3 CYS 9 2HB CYS 9 20.303 -9.818 -7.698 69 HG CYS 9 HG CYS 9 19.176 -10.383 -5.190 70 H ASP 10 H ASP 10 19.660 -6.203 -7.384 71 HA ASP 10 HA ASP 10 20.497 -5.056 -9.912 72 HB2 ASP 10 1HB ASP 10 18.311 -5.277 -10.978 73 HB3 ASP 10 2HB ASP 10 18.973 -6.866 -10.603 74 H TYR 11 H TYR 11 19.297 -3.057 -10.420 75 HA TYR 11 HA TYR 11 19.272 -1.236 -8.395 76 HB2 TYR 11 1HB TYR 11 17.676 -1.300 -10.951 77 HB3 TYR 11 2HB TYR 11 17.641 0.083 -9.862 78 HD1 TYR 11 HD2 TYR 11 20.147 0.827 -9.113 79 HD2 TYR 11 HD1 TYR 11 19.105 -1.131 -12.744 80 HE1 TYR 11 HE2 TYR 11 22.183 1.714 -10.169 81 HE2 TYR 11 HE1 TYR 11 21.139 -0.251 -13.810 82 HH TYR 11 HH TYR 11 22.951 2.233 -12.542 83 H THR 12 H THR 12 17.562 -0.120 -7.266 84 HA THR 12 HA THR 12 15.364 -1.936 -6.539 85 HB THR 12 HB THR 12 15.303 -0.960 -4.385 86 HG1 THR 12 HG1 THR 12 16.961 1.065 -5.502 87 HG21 THR 12 3HG2 THR 12 17.282 -1.714 -3.545 88 HG22 THR 12 1HG2 THR 12 18.247 -0.827 -4.725 89 HG23 THR 12 2HG2 THR 12 17.451 -2.330 -5.189 90 H TYR 13 H TYR 13 13.320 -1.358 -6.921 91 HA TYR 13 HA TYR 13 12.605 1.449 -7.195 92 HB2 TYR 13 1HB TYR 13 11.340 0.829 -9.358 93 HB3 TYR 13 2HB TYR 13 13.077 1.095 -9.461 94 HD1 TYR 13 HD2 TYR 13 14.611 -0.837 -9.695 95 HD2 TYR 13 HD1 TYR 13 10.385 -1.312 -9.817 96 HE1 TYR 13 HE2 TYR 13 14.897 -3.060 -10.707 97 HE2 TYR 13 HE1 TYR 13 10.659 -3.538 -10.828 98 HH TYR 13 HH TYR 13 13.364 -5.268 -10.759 99 H ASP 14 H ASP 14 11.052 1.554 -5.703 100 HA ASP 14 HA ASP 14 9.343 -0.621 -5.035 101 HB2 ASP 14 1HB ASP 14 9.854 0.989 -3.333 102 HB3 ASP 14 2HB ASP 14 9.259 2.315 -4.329 103 H GLU 15 H GLU 15 7.417 -1.192 -5.831 104 HA GLU 15 HA GLU 15 6.457 -0.193 -8.253 105 HB2 GLU 15 1HB GLU 15 4.395 -1.499 -7.741 106 HB3 GLU 15 2HB GLU 15 5.882 -2.418 -7.554 107 HG2 GLU 15 1HG GLU 15 4.658 -3.030 -5.697 108 HG3 GLU 15 2HG GLU 15 5.715 -1.766 -5.070 109 H GLY 16 H GLY 16 5.824 0.787 -4.973 110 HA2 GLY 16 1HA GLY 16 3.534 2.414 -5.724 111 HA3 GLY 16 2HA GLY 16 4.217 2.253 -4.113 112 H LYS 17 H LYS 17 6.615 2.840 -6.393 113 HA LYS 17 HA LYS 17 6.659 5.690 -5.653 114 HB2 LYS 17 1HB LYS 17 8.556 4.076 -4.949 115 HB3 LYS 17 2HB LYS 17 9.046 4.149 -6.637 116 HG2 LYS 17 1HG LYS 17 10.337 5.817 -5.803 117 HG3 LYS 17 2HG LYS 17 8.892 6.751 -6.196 118 HD2 LYS 17 1HD LYS 17 8.248 5.995 -3.713 119 HD3 LYS 17 2HD LYS 17 10.006 5.983 -3.560 120 HE2 LYS 17 1HE LYS 17 10.051 8.297 -4.443 121 HE3 LYS 17 2HE LYS 17 8.288 8.293 -4.460 122 HZ1 LYS 17 3HZ LYS 17 10.024 8.010 -2.068 123 HZ2 LYS 17 1HZ LYS 17 8.336 7.898 -2.053 124 HZ3 LYS 17 2HZ LYS 17 9.082 9.356 -2.473 125 H GLY 18 H GLY 18 7.367 3.436 -8.309 126 HA2 GLY 18 1HA GLY 18 6.687 3.808 -10.549 127 HA3 GLY 18 2HA GLY 18 6.563 5.526 -10.198 128 H ASP 19 H ASP 19 8.609 2.962 -11.256 129 HA ASP 19 HA ASP 19 10.825 4.872 -11.606 130 HB2 ASP 19 1HB ASP 19 10.745 2.017 -10.853 131 HB3 ASP 19 2HB ASP 19 11.995 2.455 -12.014 132 HA PRO 20 HA PRO 20 9.149 3.932 -15.828 133 HB2 PRO 20 1HB PRO 20 9.288 6.498 -16.705 134 HB3 PRO 20 2HB PRO 20 7.894 5.857 -15.828 135 HG2 PRO 20 1HG PRO 20 10.178 7.503 -14.810 136 HG3 PRO 20 2HG PRO 20 8.447 7.650 -14.455 137 HD2 PRO 20 1HD PRO 20 10.185 6.448 -12.762 138 HD3 PRO 20 2HD PRO 20 8.490 5.939 -12.910 139 H ARG 21 H ARG 21 12.018 5.115 -14.466 140 HA ARG 21 HA ARG 21 13.480 5.729 -16.817 141 HB2 ARG 21 1HB ARG 21 14.149 5.195 -13.963 142 HB3 ARG 21 2HB ARG 21 15.448 5.086 -15.144 143 HG2 ARG 21 1HG ARG 21 15.534 7.280 -14.347 144 HG3 ARG 21 2HG ARG 21 14.731 7.401 -15.913 145 HD2 ARG 21 1HD ARG 21 12.638 7.753 -14.946 146 HD3 ARG 21 2HD ARG 21 13.148 7.109 -13.386 147 HE ARG 21 HE ARG 21 13.408 9.804 -14.303 148 HH11 ARG 21 1HH1 ARG 21 14.817 7.376 -12.244 149 HH12 ARG 21 2HH1 ARG 21 15.554 8.524 -11.175 150 HH21 ARG 21 1HH2 ARG 21 14.373 11.325 -12.903 151 HH22 ARG 21 2HH2 ARG 21 15.299 10.770 -11.551 152 H GLU 22 H GLU 22 12.615 2.771 -15.258 153 HA GLU 22 HA GLU 22 14.511 1.273 -16.930 154 HB2 GLU 22 1HB GLU 22 12.931 0.424 -14.497 155 HB3 GLU 22 2HB GLU 22 13.949 -0.653 -15.444 156 HG2 GLU 22 1HG GLU 22 14.992 1.839 -14.134 157 HG3 GLU 22 2HG GLU 22 14.957 0.271 -13.329 158 H GLY 23 H GLY 23 11.919 2.511 -17.776 159 HA2 GLY 23 1HA GLY 23 10.341 1.934 -19.357 160 HA3 GLY 23 2HA GLY 23 10.993 0.302 -19.347 161 H PHE 24 H PHE 24 10.039 1.681 -16.334 162 HA PHE 24 HA PHE 24 7.441 0.329 -16.442 163 HB2 PHE 24 1HB PHE 24 9.373 -0.029 -14.145 164 HB3 PHE 24 2HB PHE 24 7.809 -0.810 -14.350 165 HD1 PHE 24 HD1 PHE 24 7.609 -2.126 -16.680 166 HD2 PHE 24 HD2 PHE 24 11.227 -1.286 -14.602 167 HE1 PHE 24 HE1 PHE 24 8.700 -4.012 -17.824 168 HE2 PHE 24 HE2 PHE 24 12.324 -3.169 -15.743 169 HZ PHE 24 HZ PHE 24 11.060 -4.535 -17.357 170 HA PRO 25 HA PRO 25 7.028 4.526 -14.615 171 HB2 PRO 25 1HB PRO 25 4.606 5.004 -15.743 172 HB3 PRO 25 2HB PRO 25 6.132 5.293 -16.586 173 HG2 PRO 25 1HG PRO 25 4.263 2.964 -16.795 174 HG3 PRO 25 2HG PRO 25 5.109 3.839 -18.085 175 HD2 PRO 25 1HD PRO 25 5.978 1.461 -17.126 176 HD3 PRO 25 2HD PRO 25 7.086 2.711 -17.726 177 H ALA 26 H ALA 26 4.894 5.432 -13.548 178 HA ALA 26 HA ALA 26 4.325 3.933 -11.305 179 HB1 ALA 26 1HB ALA 26 3.633 6.024 -10.882 180 HB2 ALA 26 2HB ALA 26 3.200 6.329 -12.565 181 HB3 ALA 26 3HB ALA 26 2.084 5.460 -11.510 182 H GLY 27 H GLY 27 2.985 2.301 -10.814 183 HA2 GLY 27 1HA GLY 27 0.787 1.262 -11.080 184 HA3 GLY 27 2HA GLY 27 0.933 1.562 -12.806 185 H THR 28 H THR 28 3.616 0.709 -13.124 186 HA THR 28 HA THR 28 3.204 -2.074 -13.457 187 HB THR 28 HB THR 28 5.767 -0.478 -13.635 188 HG1 THR 28 HG1 THR 28 4.248 -1.466 -15.807 189 HG21 THR 28 3HG2 THR 28 6.552 -2.643 -13.474 190 HG22 THR 28 1HG2 THR 28 6.300 -2.500 -15.213 191 HG23 THR 28 2HG2 THR 28 5.109 -3.335 -14.216 192 H ARG 29 H ARG 29 3.096 -3.429 -11.783 193 HA ARG 29 HA ARG 29 4.627 -2.964 -9.371 194 HB2 ARG 29 1HB ARG 29 2.291 -4.491 -10.119 195 HB3 ARG 29 2HB ARG 29 3.425 -5.497 -9.228 196 HG2 ARG 29 1HG ARG 29 3.104 -4.385 -7.295 197 HG3 ARG 29 2HG ARG 29 2.908 -2.826 -8.098 198 HD2 ARG 29 1HD ARG 29 0.718 -4.383 -8.894 199 HD3 ARG 29 2HD ARG 29 0.906 -4.667 -7.164 200 HE ARG 29 HE ARG 29 1.041 -1.893 -7.823 201 HH11 ARG 29 1HH1 ARG 29 -1.143 -4.548 -7.274 202 HH12 ARG 29 2HH1 ARG 29 -2.461 -3.533 -6.788 203 HH21 ARG 29 1HH2 ARG 29 -0.686 -0.547 -7.184 204 HH22 ARG 29 2HH2 ARG 29 -2.200 -1.258 -6.738 205 H TRP 30 H TRP 30 6.124 -4.450 -8.473 206 HA TRP 30 HA TRP 30 8.111 -5.352 -10.160 207 HB2 TRP 30 1HB TRP 30 8.875 -6.742 -8.207 208 HB3 TRP 30 2HB TRP 30 8.578 -5.048 -7.829 209 HD1 TRP 30 HD1 TRP 30 6.461 -4.488 -6.275 210 HE1 TRP 30 HE1 TRP 30 5.111 -5.944 -4.637 211 HE3 TRP 30 HE3 TRP 30 8.008 -9.106 -7.830 212 HZ2 TRP 30 HZ2 TRP 30 4.750 -8.687 -4.078 213 HZ3 TRP 30 HZ3 TRP 30 7.113 -11.095 -6.691 214 HH2 TRP 30 HH2 TRP 30 5.519 -10.888 -4.854 215 H ASP 31 H ASP 31 5.192 -6.967 -9.141 216 HA ASP 31 HA ASP 31 5.867 -9.607 -9.799 217 HB2 ASP 31 1HB ASP 31 3.870 -9.084 -8.510 218 HB3 ASP 31 2HB ASP 31 3.179 -8.224 -9.883 219 H GLN 32 H GLN 32 4.655 -6.950 -11.765 220 HA GLN 32 HA GLN 32 4.090 -8.431 -14.092 221 HB2 GLN 32 1HB GLN 32 4.967 -5.545 -13.916 222 HB3 GLN 32 2HB GLN 32 4.111 -6.298 -15.254 223 HG2 GLN 32 1HG GLN 32 3.094 -5.631 -12.518 224 HG3 GLN 32 2HG GLN 32 2.480 -5.110 -14.086 225 HE21 GLN 32 2HE2 GLN 32 2.493 -7.593 -11.697 226 HE22 GLN 32 1HE2 GLN 32 1.265 -8.580 -12.405 227 H ILE 33 H ILE 33 7.056 -7.268 -12.730 228 HA ILE 33 HA ILE 33 8.728 -7.108 -14.917 229 HB ILE 33 HB ILE 33 9.436 -8.279 -12.225 230 HG12 ILE 33 1HG1 ILE 33 8.431 -6.064 -12.002 231 HG13 ILE 33 2HG1 ILE 33 10.157 -5.984 -11.668 232 HG21 ILE 33 1HG2 ILE 33 11.207 -6.978 -14.288 233 HG22 ILE 33 2HG2 ILE 33 11.712 -7.652 -12.739 234 HG23 ILE 33 3HG2 ILE 33 11.091 -8.714 -14.003 235 HD11 ILE 33 3HD1 ILE 33 8.614 -4.551 -13.598 236 HD12 ILE 33 1HD1 ILE 33 10.301 -4.338 -13.133 237 HD13 ILE 33 2HD1 ILE 33 9.875 -5.481 -14.407 238 HA PRO 34 HA PRO 34 8.727 -11.203 -16.589 239 HB2 PRO 34 1HB PRO 34 10.872 -10.909 -18.228 240 HB3 PRO 34 2HB PRO 34 9.287 -10.212 -18.585 241 HG2 PRO 34 1HG PRO 34 11.709 -8.906 -17.407 242 HG3 PRO 34 2HG PRO 34 10.598 -8.292 -18.645 243 HD2 PRO 34 1HD PRO 34 10.456 -7.527 -16.051 244 HD3 PRO 34 2HD PRO 34 9.022 -7.649 -17.090 245 H ASP 35 H ASP 35 9.500 -13.026 -15.742 246 HA ASP 35 HA ASP 35 11.681 -13.039 -13.921 247 HB2 ASP 35 1HB ASP 35 10.319 -15.410 -15.214 248 HB3 ASP 35 2HB ASP 35 11.283 -15.427 -13.740 249 H ASP 36 H ASP 36 11.521 -13.232 -17.294 250 HA ASP 36 HA ASP 36 13.849 -14.875 -17.686 251 HB2 ASP 36 1HB ASP 36 12.635 -13.002 -19.714 252 HB3 ASP 36 2HB ASP 36 13.561 -14.472 -20.007 253 H TRP 37 H TRP 37 13.266 -11.599 -16.942 254 HA TRP 37 HA TRP 37 15.320 -10.234 -18.176 255 HB2 TRP 37 1HB TRP 37 13.451 -9.580 -16.324 256 HB3 TRP 37 2HB TRP 37 14.903 -9.562 -15.327 257 HD1 TRP 37 HD1 TRP 37 16.248 -7.379 -15.357 258 HE1 TRP 37 HE1 TRP 37 16.294 -5.270 -16.832 259 HE3 TRP 37 HE3 TRP 37 12.999 -8.873 -19.010 260 HZ2 TRP 37 HZ2 TRP 37 15.108 -4.360 -19.227 261 HZ3 TRP 37 HZ3 TRP 37 12.508 -7.324 -20.858 262 HH2 TRP 37 HH2 TRP 37 13.542 -5.114 -20.962 263 H CYS 38 H CYS 38 17.479 -10.145 -17.985 264 HA CYS 38 HA CYS 38 18.721 -11.722 -15.828 265 HB2 CYS 38 1HB CYS 38 20.632 -12.040 -17.438 266 HB3 CYS 38 2HB CYS 38 19.133 -12.836 -17.904 267 HG CYS 38 HG CYS 38 20.414 -9.961 -19.243 268 H CYS 39 H CYS 39 20.000 -10.654 -14.472 269 HA CYS 39 HA CYS 39 20.925 -7.972 -15.258 270 HB2 CYS 39 1HB CYS 39 19.708 -9.020 -12.814 271 HB3 CYS 39 2HB CYS 39 21.175 -8.098 -12.510 272 HG CYS 39 HG CYS 39 20.087 -5.787 -12.698 273 HA PRO 40 HA PRO 40 25.136 -9.099 -14.787 274 HB2 PRO 40 1HB PRO 40 26.203 -6.926 -13.557 275 HB3 PRO 40 2HB PRO 40 25.680 -6.914 -15.246 276 HG2 PRO 40 1HG PRO 40 24.252 -5.911 -12.813 277 HG3 PRO 40 2HG PRO 40 24.401 -5.160 -14.413 278 HD2 PRO 40 1HD PRO 40 22.182 -6.502 -13.635 279 HD3 PRO 40 2HD PRO 40 22.735 -6.468 -15.321 280 H ASP 41 H ASP 41 23.954 -7.532 -11.805 281 HA ASP 41 HA ASP 41 25.765 -9.051 -10.160 282 HB2 ASP 41 1HB ASP 41 23.886 -6.824 -9.791 283 HB3 ASP 41 2HB ASP 41 23.964 -7.930 -8.422 284 H CYS 42 H CYS 42 22.221 -8.891 -10.497 285 HA CYS 42 HA CYS 42 21.579 -10.949 -8.743 286 HB2 CYS 42 1HB CYS 42 19.908 -9.424 -9.689 287 HB3 CYS 42 2HB CYS 42 20.143 -10.139 -11.279 288 HG CYS 42 HG CYS 42 18.824 -12.409 -10.865 289 H SER 43 H SER 43 22.981 -11.082 -11.884 290 HA SER 43 HA SER 43 22.217 -13.540 -12.854 291 HB2 SER 43 1HB SER 43 23.614 -12.630 -14.386 292 HB3 SER 43 2HB SER 43 24.573 -11.802 -13.159 293 HG SER 43 HG SER 43 25.412 -13.771 -14.481 294 H VAL 44 H VAL 44 24.452 -12.808 -10.257 295 HA VAL 44 HA VAL 44 24.844 -15.698 -9.827 296 HB VAL 44 HB VAL 44 26.875 -15.068 -8.531 297 HG11 VAL 44 1HG1 VAL 44 27.064 -15.810 -10.840 298 HG12 VAL 44 2HG1 VAL 44 26.824 -14.156 -11.407 299 HG13 VAL 44 3HG1 VAL 44 28.270 -14.573 -10.487 300 HG21 VAL 44 3HG2 VAL 44 26.370 -12.325 -9.685 301 HG22 VAL 44 1HG2 VAL 44 26.229 -12.772 -7.985 302 HG23 VAL 44 2HG2 VAL 44 27.801 -12.823 -8.782 303 H ARG 45 H ARG 45 22.654 -13.854 -8.901 304 HA ARG 45 HA ARG 45 22.736 -14.674 -6.104 305 HB2 ARG 45 1HB ARG 45 22.373 -11.830 -7.035 306 HB3 ARG 45 2HB ARG 45 21.823 -12.384 -5.459 307 HG2 ARG 45 1HG ARG 45 24.662 -12.768 -6.327 308 HG3 ARG 45 2HG ARG 45 24.112 -11.245 -5.626 309 HD2 ARG 45 1HD ARG 45 24.823 -12.342 -3.743 310 HD3 ARG 45 2HD ARG 45 23.125 -12.817 -3.774 311 HE ARG 45 HE ARG 45 24.713 -14.684 -5.194 312 HH11 ARG 45 1HH1 ARG 45 23.906 -13.650 -1.969 313 HH12 ARG 45 2HH1 ARG 45 24.217 -15.197 -1.255 314 HH21 ARG 45 1HH2 ARG 45 25.126 -16.726 -4.265 315 HH22 ARG 45 2HH2 ARG 45 24.912 -16.946 -2.561 316 H GLU 46 H GLU 46 20.909 -15.704 -5.670 317 HA GLU 46 HA GLU 46 18.753 -15.935 -7.402 318 HB2 GLU 46 1HB GLU 46 19.066 -16.461 -4.462 319 HB3 GLU 46 2HB GLU 46 17.512 -16.690 -5.252 320 HG2 GLU 46 1HG GLU 46 18.404 -18.798 -5.355 321 HG3 GLU 46 2HG GLU 46 18.868 -18.140 -6.923 322 H LYS 47 H LYS 47 16.827 -14.910 -7.653 323 HA LYS 47 HA LYS 47 16.610 -12.204 -6.937 324 HB2 LYS 47 1HB LYS 47 15.383 -13.768 -8.760 325 HB3 LYS 47 2HB LYS 47 14.111 -13.672 -7.550 326 HG2 LYS 47 1HG LYS 47 13.779 -11.435 -7.872 327 HG3 LYS 47 2HG LYS 47 15.436 -11.154 -8.411 328 HD2 LYS 47 1HD LYS 47 14.992 -12.038 -10.555 329 HD3 LYS 47 2HD LYS 47 13.463 -12.748 -10.030 330 HE2 LYS 47 1HE LYS 47 13.209 -10.688 -11.406 331 HE3 LYS 47 2HE LYS 47 12.459 -10.586 -9.814 332 HZ1 LYS 47 3HZ LYS 47 13.897 -9.007 -9.141 333 HZ2 LYS 47 1HZ LYS 47 14.047 -8.706 -10.799 334 HZ3 LYS 47 2HZ LYS 47 15.204 -9.647 -10.002 335 H VAL 48 H VAL 48 15.675 -15.099 -5.296 336 HA VAL 48 HA VAL 48 13.673 -14.063 -3.607 337 HB VAL 48 HB VAL 48 14.137 -16.490 -3.920 338 HG11 VAL 48 1HG1 VAL 48 16.168 -16.599 -1.828 339 HG12 VAL 48 2HG1 VAL 48 16.075 -17.461 -3.365 340 HG13 VAL 48 3HG1 VAL 48 16.728 -15.823 -3.310 341 HG21 VAL 48 3HG2 VAL 48 13.341 -17.084 -1.831 342 HG22 VAL 48 1HG2 VAL 48 14.345 -15.897 -0.997 343 HG23 VAL 48 2HG2 VAL 48 12.929 -15.371 -1.907 344 H ASP 49 H ASP 49 17.022 -13.509 -3.702 345 HA ASP 49 HA ASP 49 17.604 -13.100 -0.982 346 HB2 ASP 49 1HB ASP 49 19.247 -13.243 -2.920 347 HB3 ASP 49 2HB ASP 49 18.844 -11.563 -3.263 348 H PHE 50 H PHE 50 15.766 -11.260 -3.221 349 HA PHE 50 HA PHE 50 16.052 -8.698 -2.053 350 HB2 PHE 50 1HB PHE 50 14.203 -9.975 -3.990 351 HB3 PHE 50 2HB PHE 50 13.612 -8.531 -3.174 352 HD1 PHE 50 HD2 PHE 50 16.075 -9.868 -5.520 353 HD2 PHE 50 HD1 PHE 50 14.613 -6.374 -3.577 354 HE1 PHE 50 HE2 PHE 50 17.328 -8.466 -7.106 355 HE2 PHE 50 HE1 PHE 50 15.863 -4.967 -5.162 356 HZ PHE 50 HZ PHE 50 17.223 -6.012 -6.929 357 H GLU 51 H GLU 51 15.139 -7.800 -0.310 358 HA GLU 51 HA GLU 51 13.037 -9.330 1.077 359 HB2 GLU 51 1HB GLU 51 15.011 -7.478 2.406 360 HB3 GLU 51 2HB GLU 51 13.924 -8.625 3.176 361 HG2 GLU 51 1HG GLU 51 15.195 -10.460 2.062 362 HG3 GLU 51 2HG GLU 51 16.351 -9.248 1.514 363 H ARG 52 H ARG 52 11.611 -7.999 2.473 364 HA ARG 52 HA ARG 52 10.895 -5.535 1.063 365 HB2 ARG 52 1HB ARG 52 9.142 -7.229 1.292 366 HB3 ARG 52 2HB ARG 52 9.324 -7.195 3.041 367 HG2 ARG 52 1HG ARG 52 8.310 -5.133 3.242 368 HG3 ARG 52 2HG ARG 52 8.649 -4.689 1.568 369 HD2 ARG 52 1HD ARG 52 6.601 -5.351 1.025 370 HD3 ARG 52 2HD ARG 52 7.058 -6.998 1.457 371 HE ARG 52 HE ARG 52 5.416 -5.190 2.985 372 HH11 ARG 52 1HH1 ARG 52 7.450 -8.013 3.080 373 HH12 ARG 52 2HH1 ARG 52 6.730 -8.644 4.524 374 HH21 ARG 52 1HH2 ARG 52 4.460 -6.010 4.887 375 HH22 ARG 52 2HH2 ARG 52 5.029 -7.504 5.550 376 H MET 53 H MET 53 10.718 -3.567 2.067 377 HA MET 53 HA MET 53 12.161 -3.293 4.568 378 HB2 MET 53 1HB MET 53 11.301 -1.473 2.384 379 HB3 MET 53 2HB MET 53 11.480 -0.767 3.984 380 HG2 MET 53 1HG MET 53 13.645 -2.407 2.716 381 HG3 MET 53 2HG MET 53 13.485 -0.675 2.432 382 HE1 MET 53 3HE MET 53 15.182 -3.144 3.842 383 HE2 MET 53 1HE MET 53 16.212 -2.336 5.024 384 HE3 MET 53 2HE MET 53 14.807 -3.255 5.562 385 H GLY 54 H GLY 54 9.091 -1.925 3.350 386 HA2 GLY 54 1HA GLY 54 7.005 -2.103 4.467 387 HA3 GLY 54 2HA GLY 54 7.862 -2.522 5.943 388 H GLY 55 H GLY 55 7.402 0.180 3.672 389 HA2 GLY 55 1HA GLY 55 7.876 2.040 5.902 390 HA3 GLY 55 2HA GLY 55 7.950 2.454 4.196 391 H LYS 56 H LYS 56 5.914 2.484 2.996 392 HA LYS 56 HA LYS 56 3.854 3.765 4.554 393 HB2 LYS 56 1HB LYS 56 4.723 4.266 2.100 394 HB3 LYS 56 2HB LYS 56 3.478 3.101 1.669 395 HG2 LYS 56 1HG LYS 56 2.501 5.245 1.504 396 HG3 LYS 56 2HG LYS 56 1.854 4.505 2.970 397 HD2 LYS 56 1HD LYS 56 3.409 5.774 4.331 398 HD3 LYS 56 2HD LYS 56 4.156 6.456 2.884 399 HE2 LYS 56 1HE LYS 56 2.046 7.548 2.310 400 HE3 LYS 56 2HE LYS 56 1.290 6.853 3.743 401 HZ1 LYS 56 3HZ LYS 56 2.378 9.274 3.691 402 HZ2 LYS 56 1HZ LYS 56 3.720 8.378 4.200 403 HZ3 LYS 56 2HZ LYS 56 2.285 8.333 5.094 Start of MODEL 4 1 H1 MET 1 H MET 1 2.231 -0.335 2.192 2 HA MET 1 HA MET 1 1.257 -1.218 -0.443 3 HB2 MET 1 1HB MET 1 3.089 1.095 0.200 4 HB3 MET 1 2HB MET 1 2.875 0.448 -1.421 5 HG2 MET 1 1HG MET 1 1.388 2.165 -1.476 6 HG3 MET 1 2HG MET 1 0.339 0.868 -0.910 7 HE1 MET 1 3HE MET 1 0.825 4.062 -0.943 8 HE2 MET 1 1HE MET 1 -0.095 4.632 0.450 9 HE3 MET 1 2HE MET 1 1.668 4.641 0.494 10 H THR 2 H THR 2 2.923 -2.061 -1.876 11 HA THR 2 HA THR 2 4.878 -3.622 -0.379 12 HB THR 2 HB THR 2 4.026 -3.789 -3.276 13 HG1 THR 2 HG1 THR 2 3.516 -5.543 -1.087 14 HG21 THR 2 3HG2 THR 2 6.108 -4.725 -3.419 15 HG22 THR 2 1HG2 THR 2 5.203 -6.133 -2.865 16 HG23 THR 2 2HG2 THR 2 6.141 -5.180 -1.715 17 H ALA 3 H ALA 3 7.078 -3.586 -0.743 18 HA ALA 3 HA ALA 3 8.210 -1.849 -2.761 19 HB1 ALA 3 1HB ALA 3 7.611 -0.467 -0.648 20 HB2 ALA 3 2HB ALA 3 9.033 -1.245 0.049 21 HB3 ALA 3 3HB ALA 3 9.191 -0.257 -1.403 22 H TYR 4 H TYR 4 9.771 -3.051 -3.603 23 HA TYR 4 HA TYR 4 11.327 -4.801 -1.818 24 HB2 TYR 4 1HB TYR 4 10.545 -5.068 -4.711 25 HB3 TYR 4 2HB TYR 4 11.898 -5.976 -4.045 26 HD1 TYR 4 HD1 TYR 4 11.514 -7.704 -2.338 27 HD2 TYR 4 HD2 TYR 4 8.275 -5.636 -4.164 28 HE1 TYR 4 HE1 TYR 4 9.960 -9.426 -1.519 29 HE2 TYR 4 HE2 TYR 4 6.712 -7.351 -3.349 30 HH TYR 4 HH TYR 4 7.369 -10.198 -2.535 31 H ARG 5 H ARG 5 13.350 -4.214 -1.443 32 HA ARG 5 HA ARG 5 14.796 -2.703 -3.513 33 HB2 ARG 5 1HB ARG 5 14.242 -1.068 -1.879 34 HB3 ARG 5 2HB ARG 5 14.655 -2.149 -0.554 35 HG2 ARG 5 1HG ARG 5 16.818 -1.595 -0.620 36 HG3 ARG 5 2HG ARG 5 16.871 -1.626 -2.384 37 HD2 ARG 5 1HD ARG 5 17.082 0.600 -2.211 38 HD3 ARG 5 2HD ARG 5 15.343 0.579 -1.919 39 HE ARG 5 HE ARG 5 16.798 0.217 0.494 40 HH11 ARG 5 1HH1 ARG 5 15.822 2.627 -1.821 41 HH12 ARG 5 2HH1 ARG 5 15.867 3.930 -0.679 42 HH21 ARG 5 1HH2 ARG 5 16.861 1.923 2.007 43 HH22 ARG 5 2HH2 ARG 5 16.459 3.528 1.498 44 H CYS 6 H CYS 6 16.485 -3.834 -4.183 45 HA CYS 6 HA CYS 6 18.264 -5.086 -2.273 46 HB2 CYS 6 1HB CYS 6 16.324 -6.625 -3.754 47 HB3 CYS 6 2HB CYS 6 17.955 -7.084 -4.230 48 HG CYS 6 HG CYS 6 17.278 -6.887 -0.917 49 HA PRO 7 HA PRO 7 20.470 -3.123 -5.779 50 HB2 PRO 7 1HB PRO 7 22.537 -2.245 -4.254 51 HB3 PRO 7 2HB PRO 7 21.020 -1.354 -4.420 52 HG2 PRO 7 1HG PRO 7 21.923 -3.161 -2.211 53 HG3 PRO 7 2HG PRO 7 21.097 -1.595 -2.109 54 HD2 PRO 7 1HD PRO 7 19.793 -3.951 -1.823 55 HD3 PRO 7 2HD PRO 7 19.028 -2.517 -2.535 56 H VAL 8 H VAL 8 21.304 -5.522 -3.429 57 HA VAL 8 HA VAL 8 23.888 -6.206 -4.270 58 HB VAL 8 HB VAL 8 21.784 -8.061 -3.148 59 HG11 VAL 8 1HG1 VAL 8 24.113 -9.007 -2.216 60 HG12 VAL 8 2HG1 VAL 8 23.382 -9.557 -3.725 61 HG13 VAL 8 3HG1 VAL 8 24.662 -8.344 -3.755 62 HG21 VAL 8 3HG2 VAL 8 21.903 -6.683 -1.377 63 HG22 VAL 8 1HG2 VAL 8 23.460 -7.462 -1.089 64 HG23 VAL 8 2HG2 VAL 8 23.389 -5.921 -1.944 65 H CYS 9 H CYS 9 20.853 -6.654 -5.786 66 HA CYS 9 HA CYS 9 22.070 -8.518 -7.718 67 HB2 CYS 9 1HB CYS 9 19.108 -8.274 -7.537 68 HB3 CYS 9 2HB CYS 9 20.098 -9.674 -7.930 69 HG CYS 9 HG CYS 9 20.882 -10.099 -5.249 70 H ASP 10 H ASP 10 19.491 -6.063 -7.495 71 HA ASP 10 HA ASP 10 20.545 -4.701 -9.821 72 HB2 ASP 10 1HB ASP 10 18.545 -4.867 -11.163 73 HB3 ASP 10 2HB ASP 10 19.094 -6.494 -10.770 74 H TYR 11 H TYR 11 19.382 -2.670 -10.262 75 HA TYR 11 HA TYR 11 19.100 -1.063 -8.069 76 HB2 TYR 11 1HB TYR 11 18.136 -0.889 -10.879 77 HB3 TYR 11 2HB TYR 11 17.468 0.257 -9.722 78 HD1 TYR 11 HD2 TYR 11 20.849 -1.149 -10.509 79 HD2 TYR 11 HD1 TYR 11 18.503 2.309 -9.707 80 HE1 TYR 11 HE2 TYR 11 22.850 0.259 -10.757 81 HE2 TYR 11 HE1 TYR 11 20.497 3.726 -9.954 82 HH TYR 11 HH TYR 11 22.646 3.788 -10.587 83 H THR 12 H THR 12 17.244 -0.049 -7.077 84 HA THR 12 HA THR 12 14.983 -1.916 -6.834 85 HB THR 12 HB THR 12 16.032 -1.676 -4.716 86 HG1 THR 12 HG1 THR 12 13.603 -1.205 -4.988 87 HG21 THR 12 3HG2 THR 12 15.841 1.011 -3.994 88 HG22 THR 12 1HG2 THR 12 16.512 1.027 -5.624 89 HG23 THR 12 2HG2 THR 12 17.316 0.113 -4.348 90 H TYR 13 H TYR 13 12.897 -1.214 -7.047 91 HA TYR 13 HA TYR 13 12.356 1.620 -7.423 92 HB2 TYR 13 1HB TYR 13 11.041 0.982 -9.561 93 HB3 TYR 13 2HB TYR 13 12.787 1.172 -9.675 94 HD1 TYR 13 HD1 TYR 13 14.239 -0.818 -9.870 95 HD2 TYR 13 HD2 TYR 13 9.997 -1.143 -9.917 96 HE1 TYR 13 HE1 TYR 13 14.429 -3.086 -10.803 97 HE2 TYR 13 HE2 TYR 13 10.175 -3.412 -10.848 98 HH TYR 13 HH TYR 13 11.910 -5.266 -10.862 99 H ASP 14 H ASP 14 10.845 1.843 -5.894 100 HA ASP 14 HA ASP 14 8.987 -0.192 -5.186 101 HB2 ASP 14 1HB ASP 14 9.573 1.348 -3.479 102 HB3 ASP 14 2HB ASP 14 9.201 2.736 -4.498 103 H GLU 15 H GLU 15 6.765 -0.304 -5.551 104 HA GLU 15 HA GLU 15 5.863 0.289 -8.109 105 HB2 GLU 15 1HB GLU 15 4.820 -0.955 -5.775 106 HB3 GLU 15 2HB GLU 15 3.617 0.192 -6.348 107 HG2 GLU 15 1HG GLU 15 4.817 -1.478 -8.437 108 HG3 GLU 15 2HG GLU 15 3.872 -2.351 -7.233 109 H GLY 16 H GLY 16 5.155 1.994 -5.063 110 HA2 GLY 16 1HA GLY 16 3.588 4.024 -6.297 111 HA3 GLY 16 2HA GLY 16 4.257 4.076 -4.673 112 H LYS 17 H LYS 17 7.006 3.710 -5.578 113 HA LYS 17 HA LYS 17 7.749 6.399 -5.861 114 HB2 LYS 17 1HB LYS 17 9.236 4.686 -4.924 115 HB3 LYS 17 2HB LYS 17 9.345 3.911 -6.500 116 HG2 LYS 17 1HG LYS 17 11.236 5.111 -6.655 117 HG3 LYS 17 2HG LYS 17 10.135 6.398 -7.150 118 HD2 LYS 17 1HD LYS 17 10.084 7.284 -4.913 119 HD3 LYS 17 2HD LYS 17 11.027 5.920 -4.308 120 HE2 LYS 17 1HE LYS 17 12.548 7.710 -4.528 121 HE3 LYS 17 2HE LYS 17 12.852 6.648 -5.902 122 HZ1 LYS 17 3HZ LYS 17 11.815 8.120 -7.359 123 HZ2 LYS 17 1HZ LYS 17 12.712 9.132 -6.343 124 HZ3 LYS 17 2HZ LYS 17 11.043 8.975 -6.120 125 H GLY 18 H GLY 18 7.121 3.894 -8.227 126 HA2 GLY 18 1HA GLY 18 6.883 3.991 -10.508 127 HA3 GLY 18 2HA GLY 18 6.697 5.728 -10.321 128 H ASP 19 H ASP 19 8.808 3.162 -11.205 129 HA ASP 19 HA ASP 19 10.922 5.123 -11.815 130 HB2 ASP 19 1HB ASP 19 11.194 2.186 -11.146 131 HB3 ASP 19 2HB ASP 19 12.519 3.214 -11.683 132 HA PRO 20 HA PRO 20 9.282 3.486 -15.825 133 HB2 PRO 20 1HB PRO 20 9.315 5.894 -17.079 134 HB3 PRO 20 2HB PRO 20 7.952 5.339 -16.099 135 HG2 PRO 20 1HG PRO 20 10.176 7.206 -15.369 136 HG3 PRO 20 2HG PRO 20 8.443 7.339 -15.018 137 HD2 PRO 20 1HD PRO 20 10.238 6.472 -13.185 138 HD3 PRO 20 2HD PRO 20 8.564 5.883 -13.235 139 H ARG 21 H ARG 21 12.112 4.961 -14.689 140 HA ARG 21 HA ARG 21 13.521 5.217 -17.154 141 HB2 ARG 21 1HB ARG 21 15.430 5.706 -15.846 142 HB3 ARG 21 2HB ARG 21 14.067 6.380 -14.962 143 HG2 ARG 21 1HG ARG 21 14.130 4.037 -13.757 144 HG3 ARG 21 2HG ARG 21 15.810 4.071 -14.296 145 HD2 ARG 21 1HD ARG 21 15.248 6.619 -13.238 146 HD3 ARG 21 2HD ARG 21 14.581 5.446 -12.104 147 HE ARG 21 HE ARG 21 16.711 4.887 -11.509 148 HH11 ARG 21 1HH1 ARG 21 16.798 6.492 -14.598 149 HH12 ARG 21 2HH1 ARG 21 18.528 6.542 -14.669 150 HH21 ARG 21 1HH2 ARG 21 18.989 4.947 -11.592 151 HH22 ARG 21 2HH2 ARG 21 19.774 5.662 -12.959 152 H GLU 22 H GLU 22 12.984 2.627 -14.886 153 HA GLU 22 HA GLU 22 14.964 0.933 -16.210 154 HB2 GLU 22 1HB GLU 22 13.432 0.778 -13.651 155 HB3 GLU 22 2HB GLU 22 14.005 -0.716 -14.380 156 HG2 GLU 22 1HG GLU 22 15.766 -0.243 -13.029 157 HG3 GLU 22 2HG GLU 22 16.279 0.599 -14.490 158 H GLY 23 H GLY 23 12.382 1.830 -17.440 159 HA2 GLY 23 1HA GLY 23 10.941 0.876 -18.968 160 HA3 GLY 23 2HA GLY 23 11.691 -0.677 -18.631 161 H PHE 24 H PHE 24 10.510 1.058 -15.920 162 HA PHE 24 HA PHE 24 7.984 -0.432 -15.951 163 HB2 PHE 24 1HB PHE 24 9.888 -0.348 -13.602 164 HB3 PHE 24 2HB PHE 24 8.303 -1.113 -13.618 165 HD1 PHE 24 HD2 PHE 24 8.098 -2.718 -15.867 166 HD2 PHE 24 HD1 PHE 24 11.615 -1.839 -13.637 167 HE1 PHE 24 HE2 PHE 24 9.118 -4.814 -16.656 168 HE2 PHE 24 HE1 PHE 24 12.641 -3.933 -14.423 169 HZ PHE 24 HZ PHE 24 11.392 -5.424 -15.933 170 HA PRO 25 HA PRO 25 7.248 3.965 -14.834 171 HB2 PRO 25 1HB PRO 25 4.873 4.115 -16.141 172 HB3 PRO 25 2HB PRO 25 6.429 4.362 -16.943 173 HG2 PRO 25 1HG PRO 25 4.699 1.919 -16.874 174 HG3 PRO 25 2HG PRO 25 5.571 2.634 -18.242 175 HD2 PRO 25 1HD PRO 25 6.506 0.490 -16.877 176 HD3 PRO 25 2HD PRO 25 7.581 1.697 -17.612 177 H ALA 26 H ALA 26 5.162 4.927 -13.889 178 HA ALA 26 HA ALA 26 4.486 3.644 -11.543 179 HB1 ALA 26 1HB ALA 26 3.083 5.397 -11.126 180 HB2 ALA 26 2HB ALA 26 4.054 6.094 -12.423 181 HB3 ALA 26 3HB ALA 26 2.457 5.434 -12.775 182 H GLY 27 H GLY 27 3.227 1.972 -11.042 183 HA2 GLY 27 1HA GLY 27 1.017 0.936 -11.217 184 HA3 GLY 27 2HA GLY 27 1.109 1.203 -12.952 185 H THR 28 H THR 28 3.984 0.375 -12.938 186 HA THR 28 HA THR 28 3.698 -2.258 -13.739 187 HB THR 28 HB THR 28 6.223 -1.073 -12.574 188 HG1 THR 28 HG1 THR 28 5.473 -1.063 -15.311 189 HG21 THR 28 3HG2 THR 28 6.365 -2.893 -14.867 190 HG22 THR 28 1HG2 THR 28 5.755 -3.639 -13.391 191 HG23 THR 28 2HG2 THR 28 7.333 -2.850 -13.394 192 H ARG 29 H ARG 29 3.378 -4.105 -12.692 193 HA ARG 29 HA ARG 29 3.386 -4.163 -9.811 194 HB2 ARG 29 1HB ARG 29 2.693 -6.185 -11.934 195 HB3 ARG 29 2HB ARG 29 2.726 -6.603 -10.226 196 HG2 ARG 29 1HG ARG 29 1.135 -4.554 -9.981 197 HG3 ARG 29 2HG ARG 29 0.854 -4.817 -11.703 198 HD2 ARG 29 1HD ARG 29 0.446 -6.809 -9.477 199 HD3 ARG 29 2HD ARG 29 -0.811 -6.003 -10.415 200 HE ARG 29 HE ARG 29 0.761 -8.279 -11.210 201 HH11 ARG 29 1HH1 ARG 29 -1.167 -5.593 -12.301 202 HH12 ARG 29 2HH1 ARG 29 -1.563 -6.326 -13.820 203 HH21 ARG 29 1HH2 ARG 29 0.247 -9.254 -13.207 204 HH22 ARG 29 2HH2 ARG 29 -0.759 -8.409 -14.334 205 H TRP 30 H TRP 30 5.035 -4.737 -8.569 206 HA TRP 30 HA TRP 30 7.573 -5.349 -9.484 207 HB2 TRP 30 1HB TRP 30 7.944 -6.233 -7.114 208 HB3 TRP 30 2HB TRP 30 7.384 -4.570 -7.262 209 HD1 TRP 30 HD1 TRP 30 5.019 -3.981 -6.265 210 HE1 TRP 30 HE1 TRP 30 3.355 -5.277 -4.790 211 HE3 TRP 30 HE3 TRP 30 7.038 -8.659 -6.683 212 HZ2 TRP 30 HZ2 TRP 30 2.953 -7.931 -3.917 213 HZ3 TRP 30 HZ3 TRP 30 5.954 -10.522 -5.496 214 HH2 TRP 30 HH2 TRP 30 3.954 -10.163 -4.142 215 H ASP 31 H ASP 31 4.863 -7.452 -8.899 216 HA ASP 31 HA ASP 31 6.431 -9.874 -9.014 217 HB2 ASP 31 1HB ASP 31 4.421 -11.035 -8.635 218 HB3 ASP 31 2HB ASP 31 4.232 -9.537 -7.729 219 H GLN 32 H GLN 32 4.606 -7.876 -11.207 220 HA GLN 32 HA GLN 32 4.305 -9.754 -13.300 221 HB2 GLN 32 1HB GLN 32 2.974 -7.709 -13.197 222 HB3 GLN 32 2HB GLN 32 4.424 -6.735 -13.402 223 HG2 GLN 32 1HG GLN 32 2.952 -7.087 -15.440 224 HG3 GLN 32 2HG GLN 32 4.682 -7.371 -15.630 225 HE21 GLN 32 2HE2 GLN 32 1.832 -9.210 -14.570 226 HE22 GLN 32 1HE2 GLN 32 2.180 -10.616 -15.511 227 H ILE 33 H ILE 33 7.018 -8.085 -12.114 228 HA ILE 33 HA ILE 33 8.580 -7.594 -14.330 229 HB ILE 33 HB ILE 33 9.539 -8.730 -11.701 230 HG12 ILE 33 1HG1 ILE 33 8.188 -6.691 -11.422 231 HG13 ILE 33 2HG1 ILE 33 9.881 -6.398 -11.038 232 HG21 ILE 33 1HG2 ILE 33 11.675 -7.738 -12.244 233 HG22 ILE 33 2HG2 ILE 33 11.192 -8.847 -13.526 234 HG23 ILE 33 3HG2 ILE 33 11.028 -7.107 -13.758 235 HD11 ILE 33 3HD1 ILE 33 9.968 -4.763 -12.519 236 HD12 ILE 33 1HD1 ILE 33 9.418 -5.841 -13.802 237 HD13 ILE 33 2HD1 ILE 33 8.242 -4.979 -12.810 238 HA PRO 34 HA PRO 34 9.169 -11.578 -16.160 239 HB2 PRO 34 1HB PRO 34 11.188 -10.892 -17.839 240 HB3 PRO 34 2HB PRO 34 9.503 -10.443 -18.129 241 HG2 PRO 34 1HG PRO 34 11.726 -8.811 -16.963 242 HG3 PRO 34 2HG PRO 34 10.493 -8.339 -18.147 243 HD2 PRO 34 1HD PRO 34 10.315 -7.695 -15.523 244 HD3 PRO 34 2HD PRO 34 8.886 -8.007 -16.529 245 H ASP 35 H ASP 35 10.172 -13.233 -15.222 246 HA ASP 35 HA ASP 35 12.470 -12.927 -13.580 247 HB2 ASP 35 1HB ASP 35 12.345 -15.314 -13.250 248 HB3 ASP 35 2HB ASP 35 10.708 -14.663 -13.239 249 H ASP 36 H ASP 36 12.107 -13.197 -16.912 250 HA ASP 36 HA ASP 36 14.533 -14.643 -17.460 251 HB2 ASP 36 1HB ASP 36 13.050 -12.889 -19.412 252 HB3 ASP 36 2HB ASP 36 14.048 -14.300 -19.752 253 H TRP 37 H TRP 37 13.776 -11.460 -16.587 254 HA TRP 37 HA TRP 37 15.559 -9.885 -17.980 255 HB2 TRP 37 1HB TRP 37 13.848 -9.391 -15.986 256 HB3 TRP 37 2HB TRP 37 15.340 -9.410 -15.049 257 HD1 TRP 37 HD1 TRP 37 16.787 -7.266 -15.101 258 HE1 TRP 37 HE1 TRP 37 16.660 -5.024 -16.358 259 HE3 TRP 37 HE3 TRP 37 13.052 -8.397 -18.404 260 HZ2 TRP 37 HZ2 TRP 37 15.173 -3.885 -18.470 261 HZ3 TRP 37 HZ3 TRP 37 12.336 -6.676 -20.009 262 HH2 TRP 37 HH2 TRP 37 13.375 -4.467 -20.040 263 H CYS 38 H CYS 38 17.709 -9.668 -18.063 264 HA CYS 38 HA CYS 38 19.314 -11.289 -16.207 265 HB2 CYS 38 1HB CYS 38 19.815 -10.366 -19.033 266 HB3 CYS 38 2HB CYS 38 21.104 -10.995 -18.014 267 HG CYS 38 HG CYS 38 20.209 -12.968 -19.835 268 H CYS 39 H CYS 39 20.682 -10.331 -14.842 269 HA CYS 39 HA CYS 39 21.387 -7.513 -15.313 270 HB2 CYS 39 1HB CYS 39 19.994 -8.714 -13.037 271 HB3 CYS 39 2HB CYS 39 21.398 -7.765 -12.565 272 HG CYS 39 HG CYS 39 20.363 -5.429 -12.917 273 HA PRO 40 HA PRO 40 25.570 -8.567 -14.530 274 HB2 PRO 40 1HB PRO 40 26.468 -6.426 -13.123 275 HB3 PRO 40 2HB PRO 40 26.093 -6.352 -14.849 276 HG2 PRO 40 1HG PRO 40 24.435 -5.489 -12.511 277 HG3 PRO 40 2HG PRO 40 24.701 -4.665 -14.059 278 HD2 PRO 40 1HD PRO 40 22.459 -6.091 -13.533 279 HD3 PRO 40 2HD PRO 40 23.155 -5.971 -15.162 280 H ASP 41 H ASP 41 24.092 -7.160 -11.601 281 HA ASP 41 HA ASP 41 25.790 -8.730 -9.875 282 HB2 ASP 41 1HB ASP 41 23.948 -6.485 -9.586 283 HB3 ASP 41 2HB ASP 41 23.788 -7.662 -8.285 284 H CYS 42 H CYS 42 22.293 -8.577 -10.533 285 HA CYS 42 HA CYS 42 21.508 -10.690 -8.902 286 HB2 CYS 42 1HB CYS 42 20.010 -9.041 -10.098 287 HB3 CYS 42 2HB CYS 42 20.245 -9.997 -11.557 288 HG CYS 42 HG CYS 42 17.852 -10.906 -10.841 289 H SER 43 H SER 43 23.193 -10.713 -11.902 290 HA SER 43 HA SER 43 22.535 -13.138 -13.023 291 HB2 SER 43 1HB SER 43 24.061 -12.148 -14.379 292 HB3 SER 43 2HB SER 43 24.919 -11.400 -13.032 293 HG SER 43 HG SER 43 25.347 -13.831 -14.281 294 H VAL 44 H VAL 44 24.692 -12.496 -10.305 295 HA VAL 44 HA VAL 44 25.067 -15.388 -9.938 296 HB VAL 44 HB VAL 44 26.873 -14.753 -8.351 297 HG11 VAL 44 1HG1 VAL 44 28.385 -13.741 -10.174 298 HG12 VAL 44 2HG1 VAL 44 27.655 -15.320 -10.470 299 HG13 VAL 44 3HG1 VAL 44 26.968 -13.875 -11.215 300 HG21 VAL 44 3HG2 VAL 44 26.449 -11.953 -9.387 301 HG22 VAL 44 1HG2 VAL 44 25.943 -12.516 -7.794 302 HG23 VAL 44 2HG2 VAL 44 27.655 -12.484 -8.215 303 H ARG 45 H ARG 45 22.622 -13.901 -9.234 304 HA ARG 45 HA ARG 45 22.473 -14.763 -6.447 305 HB2 ARG 45 1HB ARG 45 21.408 -12.076 -7.325 306 HB3 ARG 45 2HB ARG 45 21.417 -12.738 -5.695 307 HG2 ARG 45 1HG ARG 45 23.919 -12.140 -7.252 308 HG3 ARG 45 2HG ARG 45 23.148 -10.990 -6.157 309 HD2 ARG 45 1HD ARG 45 23.625 -12.266 -4.278 310 HD3 ARG 45 2HD ARG 45 23.837 -13.744 -5.216 311 HE ARG 45 HE ARG 45 25.785 -11.707 -5.791 312 HH11 ARG 45 1HH1 ARG 45 24.961 -14.397 -3.740 313 HH12 ARG 45 2HH1 ARG 45 26.604 -14.737 -3.306 314 HH21 ARG 45 1HH2 ARG 45 27.951 -12.145 -5.227 315 HH22 ARG 45 2HH2 ARG 45 28.304 -13.455 -4.152 316 H GLU 46 H GLU 46 20.164 -14.798 -5.675 317 HA GLU 46 HA GLU 46 18.487 -15.839 -7.833 318 HB2 GLU 46 1HB GLU 46 18.130 -16.048 -4.838 319 HB3 GLU 46 2HB GLU 46 17.159 -16.867 -6.053 320 HG2 GLU 46 1HG GLU 46 18.840 -18.346 -6.597 321 HG3 GLU 46 2HG GLU 46 20.110 -17.290 -5.984 322 H LYS 47 H LYS 47 16.378 -15.152 -8.189 323 HA LYS 47 HA LYS 47 15.878 -12.400 -7.802 324 HB2 LYS 47 1HB LYS 47 14.366 -14.705 -8.931 325 HB3 LYS 47 2HB LYS 47 13.456 -13.259 -8.513 326 HG2 LYS 47 1HG LYS 47 15.890 -13.195 -10.273 327 HG3 LYS 47 2HG LYS 47 14.256 -13.430 -10.897 328 HD2 LYS 47 1HD LYS 47 14.936 -11.104 -9.126 329 HD3 LYS 47 2HD LYS 47 15.210 -11.044 -10.868 330 HE2 LYS 47 1HE LYS 47 13.099 -10.198 -10.813 331 HE3 LYS 47 2HE LYS 47 12.702 -11.914 -10.903 332 HZ1 LYS 47 3HZ LYS 47 12.082 -10.066 -8.866 333 HZ2 LYS 47 1HZ LYS 47 13.039 -11.302 -8.217 334 HZ3 LYS 47 2HZ LYS 47 11.597 -11.680 -9.016 335 H VAL 48 H VAL 48 15.128 -15.206 -5.927 336 HA VAL 48 HA VAL 48 12.969 -14.103 -4.433 337 HB VAL 48 HB VAL 48 13.427 -16.548 -4.625 338 HG11 VAL 48 1HG1 VAL 48 15.913 -16.275 -4.274 339 HG12 VAL 48 2HG1 VAL 48 15.562 -16.099 -2.554 340 HG13 VAL 48 3HG1 VAL 48 15.152 -17.597 -3.390 341 HG21 VAL 48 3HG2 VAL 48 12.202 -15.238 -2.661 342 HG22 VAL 48 1HG2 VAL 48 12.388 -16.992 -2.650 343 HG23 VAL 48 2HG2 VAL 48 13.490 -15.982 -1.714 344 H ASP 49 H ASP 49 16.247 -13.417 -4.469 345 HA ASP 49 HA ASP 49 16.818 -12.996 -1.748 346 HB2 ASP 49 1HB ASP 49 18.483 -13.040 -3.643 347 HB3 ASP 49 2HB ASP 49 17.946 -11.415 -4.062 348 H PHE 50 H PHE 50 14.909 -11.218 -3.995 349 HA PHE 50 HA PHE 50 15.035 -8.644 -2.928 350 HB2 PHE 50 1HB PHE 50 13.085 -10.163 -4.570 351 HB3 PHE 50 2HB PHE 50 12.480 -8.717 -3.768 352 HD1 PHE 50 HD1 PHE 50 13.809 -6.547 -4.120 353 HD2 PHE 50 HD2 PHE 50 14.215 -9.994 -6.584 354 HE1 PHE 50 HE1 PHE 50 14.765 -5.152 -5.908 355 HE2 PHE 50 HE2 PHE 50 15.172 -8.606 -8.375 356 HZ PHE 50 HZ PHE 50 15.449 -6.182 -8.039 357 H GLU 51 H GLU 51 14.287 -7.729 -1.122 358 HA GLU 51 HA GLU 51 12.414 -9.284 0.540 359 HB2 GLU 51 1HB GLU 51 14.505 -7.373 1.581 360 HB3 GLU 51 2HB GLU 51 13.511 -8.483 2.513 361 HG2 GLU 51 1HG GLU 51 14.681 -10.311 1.086 362 HG3 GLU 51 2HG GLU 51 15.881 -9.053 0.796 363 H ARG 52 H ARG 52 10.852 -8.134 1.725 364 HA ARG 52 HA ARG 52 10.020 -5.670 0.455 365 HB2 ARG 52 1HB ARG 52 7.961 -5.934 1.689 366 HB3 ARG 52 2HB ARG 52 8.404 -7.480 0.977 367 HG2 ARG 52 1HG ARG 52 9.300 -8.207 3.142 368 HG3 ARG 52 2HG ARG 52 8.808 -6.666 3.847 369 HD2 ARG 52 1HD ARG 52 6.461 -7.209 3.103 370 HD3 ARG 52 2HD ARG 52 7.046 -8.826 2.714 371 HE ARG 52 HE ARG 52 7.773 -8.246 5.348 372 HH11 ARG 52 1HH1 ARG 52 4.901 -8.790 3.457 373 HH12 ARG 52 2HH1 ARG 52 3.990 -9.429 4.784 374 HH21 ARG 52 1HH2 ARG 52 6.583 -9.085 7.104 375 HH22 ARG 52 2HH2 ARG 52 4.947 -9.595 6.859 376 H MET 53 H MET 53 9.899 -3.669 1.389 377 HA MET 53 HA MET 53 11.609 -3.219 3.672 378 HB2 MET 53 1HB MET 53 10.146 -1.429 1.752 379 HB3 MET 53 2HB MET 53 10.882 -0.777 3.210 380 HG2 MET 53 1HG MET 53 12.489 -2.462 1.342 381 HG3 MET 53 2HG MET 53 12.199 -0.761 0.985 382 HE1 MET 53 3HE MET 53 15.560 -2.333 3.326 383 HE2 MET 53 1HE MET 53 14.105 -3.329 3.289 384 HE3 MET 53 2HE MET 53 14.826 -2.767 1.782 385 H GLY 54 H GLY 54 10.722 -1.362 5.211 386 HA2 GLY 54 1HA GLY 54 8.000 -1.258 5.867 387 HA3 GLY 54 2HA GLY 54 8.730 -2.553 6.804 388 H GLY 55 H GLY 55 9.070 0.897 6.034 389 HA2 GLY 55 1HA GLY 55 10.862 1.478 8.150 390 HA3 GLY 55 2HA GLY 55 9.884 2.649 7.277 391 H LYS 56 H LYS 56 7.860 3.240 8.081 392 HA LYS 56 HA LYS 56 7.200 2.229 10.764 393 HB2 LYS 56 1HB LYS 56 8.365 4.599 10.528 394 HB3 LYS 56 2HB LYS 56 6.729 5.108 10.133 395 HG2 LYS 56 1HG LYS 56 5.913 4.538 12.241 396 HG3 LYS 56 2HG LYS 56 7.306 3.516 12.604 397 HD2 LYS 56 1HD LYS 56 8.735 5.512 12.676 398 HD3 LYS 56 2HD LYS 56 7.328 6.523 12.342 399 HE2 LYS 56 1HE LYS 56 6.300 5.464 14.430 400 HE3 LYS 56 2HE LYS 56 7.927 4.892 14.792 401 HZ1 LYS 56 3HZ LYS 56 8.538 7.371 14.433 402 HZ2 LYS 56 1HZ LYS 56 7.861 6.882 15.905 403 HZ3 LYS 56 2HZ LYS 56 6.898 7.645 14.743 Start of MODEL 5 1 H1 MET 1 H MET 1 2.013 -1.015 1.448 2 HA MET 1 HA MET 1 1.623 -2.107 -1.261 3 HB2 MET 1 1HB MET 1 3.254 -0.255 -1.926 4 HB3 MET 1 2HB MET 1 1.625 0.235 -1.479 5 HG2 MET 1 1HG MET 1 2.445 0.805 0.771 6 HG3 MET 1 2HG MET 1 4.077 0.383 0.258 7 HE1 MET 1 3HE MET 1 3.988 4.046 0.929 8 HE2 MET 1 1HE MET 1 4.533 2.425 1.361 9 HE3 MET 1 2HE MET 1 5.391 3.342 0.123 10 H THR 2 H THR 2 3.549 -2.783 -2.408 11 HA THR 2 HA THR 2 5.427 -4.108 -0.616 12 HB THR 2 HB THR 2 5.034 -4.387 -3.602 13 HG1 THR 2 HG1 THR 2 4.370 -6.590 -2.637 14 HG21 THR 2 3HG2 THR 2 6.367 -6.579 -3.019 15 HG22 THR 2 1HG2 THR 2 6.985 -5.594 -1.694 16 HG23 THR 2 2HG2 THR 2 7.217 -5.073 -3.363 17 H ALA 3 H ALA 3 7.642 -3.838 -0.674 18 HA ALA 3 HA ALA 3 8.784 -1.876 -2.503 19 HB1 ALA 3 1HB ALA 3 9.389 -0.309 -0.977 20 HB2 ALA 3 2HB ALA 3 7.931 -0.899 -0.177 21 HB3 ALA 3 3HB ALA 3 9.516 -1.476 0.340 22 H TYR 4 H TYR 4 10.494 -2.855 -3.346 23 HA TYR 4 HA TYR 4 12.109 -4.610 -1.614 24 HB2 TYR 4 1HB TYR 4 11.387 -4.807 -4.524 25 HB3 TYR 4 2HB TYR 4 12.832 -5.598 -3.904 26 HD1 TYR 4 HD1 TYR 4 12.558 -7.280 -2.014 27 HD2 TYR 4 HD2 TYR 4 9.278 -5.808 -4.289 28 HE1 TYR 4 HE1 TYR 4 11.201 -9.199 -1.289 29 HE2 TYR 4 HE2 TYR 4 7.912 -7.722 -3.569 30 HH TYR 4 HH TYR 4 7.880 -9.648 -2.460 31 H ARG 5 H ARG 5 14.062 -3.873 -1.150 32 HA ARG 5 HA ARG 5 15.435 -2.160 -3.110 33 HB2 ARG 5 1HB ARG 5 14.424 -0.992 -1.015 34 HB3 ARG 5 2HB ARG 5 15.768 -1.735 -0.158 35 HG2 ARG 5 1HG ARG 5 16.280 -0.128 -2.621 36 HG3 ARG 5 2HG ARG 5 15.996 0.677 -1.076 37 HD2 ARG 5 1HD ARG 5 17.839 -0.550 -0.075 38 HD3 ARG 5 2HD ARG 5 18.096 -1.428 -1.582 39 HE ARG 5 HE ARG 5 18.290 1.258 -2.201 40 HH11 ARG 5 1HH1 ARG 5 19.938 -1.022 -0.150 41 HH12 ARG 5 2HH1 ARG 5 21.466 -0.212 -0.256 42 HH21 ARG 5 1HH2 ARG 5 20.296 2.334 -2.348 43 HH22 ARG 5 2HH2 ARG 5 21.668 1.698 -1.506 44 H CYS 6 H CYS 6 16.944 -3.542 -3.856 45 HA CYS 6 HA CYS 6 19.014 -4.392 -2.023 46 HB2 CYS 6 1HB CYS 6 17.098 -6.209 -2.308 47 HB3 CYS 6 2HB CYS 6 17.977 -6.559 -3.792 48 HG CYS 6 HG CYS 6 18.843 -8.424 -1.978 49 HA PRO 7 HA PRO 7 20.649 -2.986 -6.067 50 HB2 PRO 7 1HB PRO 7 22.848 -1.806 -4.999 51 HB3 PRO 7 2HB PRO 7 21.279 -0.999 -5.099 52 HG2 PRO 7 1HG PRO 7 22.550 -2.386 -2.771 53 HG3 PRO 7 2HG PRO 7 21.666 -0.849 -2.811 54 HD2 PRO 7 1HD PRO 7 20.532 -3.162 -1.974 55 HD3 PRO 7 2HD PRO 7 19.609 -1.889 -2.798 56 H VAL 8 H VAL 8 21.656 -5.147 -3.659 57 HA VAL 8 HA VAL 8 24.239 -5.824 -4.588 58 HB VAL 8 HB VAL 8 22.289 -7.611 -3.130 59 HG11 VAL 8 1HG1 VAL 8 25.125 -7.842 -3.904 60 HG12 VAL 8 2HG1 VAL 8 24.728 -8.331 -2.255 61 HG13 VAL 8 3HG1 VAL 8 23.918 -9.096 -3.622 62 HG21 VAL 8 3HG2 VAL 8 22.442 -5.844 -1.671 63 HG22 VAL 8 1HG2 VAL 8 23.831 -6.806 -1.163 64 HG23 VAL 8 2HG2 VAL 8 24.064 -5.402 -2.205 65 H CYS 9 H CYS 9 21.102 -6.494 -5.789 66 HA CYS 9 HA CYS 9 22.214 -8.525 -7.613 67 HB2 CYS 9 1HB CYS 9 19.271 -8.283 -7.124 68 HB3 CYS 9 2HB CYS 9 20.208 -9.690 -7.609 69 HG CYS 9 HG CYS 9 21.407 -9.916 -5.013 70 H ASP 10 H ASP 10 19.618 -6.085 -7.426 71 HA ASP 10 HA ASP 10 20.430 -5.003 -9.989 72 HB2 ASP 10 1HB ASP 10 18.228 -5.251 -11.027 73 HB3 ASP 10 2HB ASP 10 18.910 -6.827 -10.634 74 H TYR 11 H TYR 11 19.222 -3.020 -10.537 75 HA TYR 11 HA TYR 11 19.204 -1.151 -8.555 76 HB2 TYR 11 1HB TYR 11 17.617 -1.286 -11.112 77 HB3 TYR 11 2HB TYR 11 17.544 0.116 -10.050 78 HD1 TYR 11 HD2 TYR 11 20.213 0.613 -9.203 79 HD2 TYR 11 HD1 TYR 11 18.873 -0.807 -12.984 80 HE1 TYR 11 HE2 TYR 11 22.241 1.521 -10.256 81 HE2 TYR 11 HE1 TYR 11 20.898 0.097 -14.047 82 HH TYR 11 HH TYR 11 23.401 0.647 -13.069 83 H THR 12 H THR 12 17.489 -0.004 -7.458 84 HA THR 12 HA THR 12 15.310 -1.813 -6.661 85 HB THR 12 HB THR 12 15.256 -0.781 -4.541 86 HG1 THR 12 HG1 THR 12 15.525 1.317 -4.541 87 HG21 THR 12 3HG2 THR 12 17.470 -2.076 -5.358 88 HG22 THR 12 1HG2 THR 12 17.242 -1.492 -3.710 89 HG23 THR 12 2HG2 THR 12 18.184 -0.543 -4.859 90 H TYR 13 H TYR 13 13.231 -1.230 -6.915 91 HA TYR 13 HA TYR 13 12.533 1.553 -7.404 92 HB2 TYR 13 1HB TYR 13 11.861 -0.628 -9.390 93 HB3 TYR 13 2HB TYR 13 11.323 1.045 -9.474 94 HD1 TYR 13 HD2 TYR 13 13.260 2.833 -9.488 95 HD2 TYR 13 HD1 TYR 13 13.747 -1.252 -10.575 96 HE1 TYR 13 HE2 TYR 13 15.275 3.420 -10.770 97 HE2 TYR 13 HE1 TYR 13 15.764 -0.676 -11.859 98 HH TYR 13 HH TYR 13 17.174 2.516 -11.730 99 H ASP 14 H ASP 14 11.048 1.839 -5.874 100 HA ASP 14 HA ASP 14 9.369 -0.234 -4.887 101 HB2 ASP 14 1HB ASP 14 10.049 1.650 -3.477 102 HB3 ASP 14 2HB ASP 14 9.176 2.764 -4.526 103 H GLU 15 H GLU 15 7.089 -0.411 -5.042 104 HA GLU 15 HA GLU 15 6.035 -0.273 -7.599 105 HB2 GLU 15 1HB GLU 15 5.199 -1.280 -5.174 106 HB3 GLU 15 2HB GLU 15 4.010 -0.026 -5.501 107 HG2 GLU 15 1HG GLU 15 4.643 -1.828 -7.745 108 HG3 GLU 15 2HG GLU 15 3.796 -2.548 -6.377 109 H GLY 16 H GLY 16 5.791 2.051 -4.948 110 HA2 GLY 16 1HA GLY 16 4.118 3.823 -6.541 111 HA3 GLY 16 2HA GLY 16 4.634 4.087 -4.882 112 H LYS 17 H LYS 17 7.175 3.161 -6.915 113 HA LYS 17 HA LYS 17 8.285 5.845 -6.795 114 HB2 LYS 17 1HB LYS 17 9.453 3.482 -6.370 115 HB3 LYS 17 2HB LYS 17 9.753 3.607 -8.099 116 HG2 LYS 17 1HG LYS 17 11.652 4.548 -7.210 117 HG3 LYS 17 2HG LYS 17 10.651 5.970 -7.514 118 HD2 LYS 17 1HD LYS 17 10.078 6.175 -5.232 119 HD3 LYS 17 2HD LYS 17 10.683 4.560 -4.857 120 HE2 LYS 17 1HE LYS 17 12.953 5.538 -5.708 121 HE3 LYS 17 2HE LYS 17 12.191 7.088 -5.358 122 HZ1 LYS 17 3HZ LYS 17 13.562 5.805 -3.549 123 HZ2 LYS 17 1HZ LYS 17 12.091 5.006 -3.303 124 HZ3 LYS 17 2HZ LYS 17 12.179 6.687 -3.132 125 H GLY 18 H GLY 18 7.594 3.385 -9.274 126 HA2 GLY 18 1HA GLY 18 6.710 3.839 -11.409 127 HA3 GLY 18 2HA GLY 18 7.138 5.531 -11.202 128 H ASP 19 H ASP 19 9.057 6.269 -11.970 129 HA ASP 19 HA ASP 19 10.992 6.321 -13.164 130 HB2 ASP 19 1HB ASP 19 11.497 3.433 -12.525 131 HB3 ASP 19 2HB ASP 19 12.651 4.756 -12.673 132 HA PRO 20 HA PRO 20 8.797 4.163 -16.640 133 HB2 PRO 20 1HB PRO 20 8.614 6.372 -18.207 134 HB3 PRO 20 2HB PRO 20 7.410 5.963 -16.979 135 HG2 PRO 20 1HG PRO 20 9.680 7.908 -16.830 136 HG3 PRO 20 2HG PRO 20 8.010 8.092 -16.263 137 HD2 PRO 20 1HD PRO 20 10.056 7.485 -14.596 138 HD3 PRO 20 2HD PRO 20 8.402 6.898 -14.330 139 H ARG 21 H ARG 21 11.670 6.020 -16.245 140 HA ARG 21 HA ARG 21 12.724 5.823 -18.859 141 HB2 ARG 21 1HB ARG 21 13.816 6.424 -16.156 142 HB3 ARG 21 2HB ARG 21 14.962 5.968 -17.410 143 HG2 ARG 21 1HG ARG 21 14.713 8.389 -17.240 144 HG3 ARG 21 2HG ARG 21 14.188 7.788 -18.814 145 HD2 ARG 21 1HD ARG 21 12.190 8.110 -16.620 146 HD3 ARG 21 2HD ARG 21 12.740 9.532 -17.505 147 HE ARG 21 HE ARG 21 10.952 7.516 -18.441 148 HH11 ARG 21 1HH1 ARG 21 13.404 9.776 -19.444 149 HH12 ARG 21 2HH1 ARG 21 12.801 9.911 -21.063 150 HH21 ARG 21 1HH2 ARG 21 10.149 7.686 -20.569 151 HH22 ARG 21 2HH2 ARG 21 10.949 8.722 -21.702 152 H GLU 22 H GLU 22 12.446 3.559 -16.272 153 HA GLU 22 HA GLU 22 14.409 1.753 -17.467 154 HB2 GLU 22 1HB GLU 22 12.757 1.327 -14.974 155 HB3 GLU 22 2HB GLU 22 14.172 0.414 -15.479 156 HG2 GLU 22 1HG GLU 22 14.260 3.348 -14.844 157 HG3 GLU 22 2HG GLU 22 14.531 2.089 -13.640 158 H GLY 23 H GLY 23 11.793 2.432 -18.720 159 HA2 GLY 23 1HA GLY 23 10.257 1.302 -20.004 160 HA3 GLY 23 2HA GLY 23 11.115 -0.179 -19.606 161 H PHE 24 H PHE 24 10.029 1.706 -16.956 162 HA PHE 24 HA PHE 24 7.565 0.147 -16.701 163 HB2 PHE 24 1HB PHE 24 9.651 0.335 -14.517 164 HB3 PHE 24 2HB PHE 24 8.090 -0.469 -14.392 165 HD1 PHE 24 HD1 PHE 24 7.727 -2.185 -16.492 166 HD2 PHE 24 HD2 PHE 24 11.438 -1.068 -14.733 167 HE1 PHE 24 HE1 PHE 24 8.738 -4.276 -17.305 168 HE2 PHE 24 HE2 PHE 24 12.455 -3.156 -15.543 169 HZ PHE 24 HZ PHE 24 11.106 -4.763 -16.832 170 HA PRO 25 HA PRO 25 6.860 4.567 -15.658 171 HB2 PRO 25 1HB PRO 25 4.380 4.647 -16.761 172 HB3 PRO 25 2HB PRO 25 5.858 4.887 -17.701 173 HG2 PRO 25 1HG PRO 25 4.178 2.427 -17.410 174 HG3 PRO 25 2HG PRO 25 4.920 3.109 -18.869 175 HD2 PRO 25 1HD PRO 25 6.001 1.021 -17.525 176 HD3 PRO 25 2HD PRO 25 6.990 2.218 -18.385 177 H ALA 26 H ALA 26 4.615 5.470 -14.750 178 HA ALA 26 HA ALA 26 4.240 4.370 -12.232 179 HB1 ALA 26 1HB ALA 26 3.363 6.625 -13.557 180 HB2 ALA 26 2HB ALA 26 1.873 5.754 -13.189 181 HB3 ALA 26 3HB ALA 26 2.988 6.182 -11.891 182 H GLY 27 H GLY 27 2.891 2.879 -11.358 183 HA2 GLY 27 1HA GLY 27 0.831 1.621 -11.372 184 HA3 GLY 27 2HA GLY 27 0.887 1.640 -13.128 185 H THR 28 H THR 28 3.697 0.957 -13.294 186 HA THR 28 HA THR 28 3.561 -1.787 -13.536 187 HB THR 28 HB THR 28 6.079 -0.225 -12.934 188 HG1 THR 28 HG1 THR 28 6.093 -0.392 -15.401 189 HG21 THR 28 3HG2 THR 28 7.199 -2.115 -13.316 190 HG22 THR 28 1HG2 THR 28 6.332 -2.380 -14.827 191 HG23 THR 28 2HG2 THR 28 5.659 -2.973 -13.309 192 H ARG 29 H ARG 29 3.811 -3.498 -12.216 193 HA ARG 29 HA ARG 29 4.431 -2.940 -9.392 194 HB2 ARG 29 1HB ARG 29 3.194 -5.165 -9.028 195 HB3 ARG 29 2HB ARG 29 2.234 -3.748 -9.436 196 HG2 ARG 29 1HG ARG 29 3.156 -5.464 -11.669 197 HG3 ARG 29 2HG ARG 29 1.883 -6.090 -10.619 198 HD2 ARG 29 1HD ARG 29 1.647 -3.310 -11.658 199 HD3 ARG 29 2HD ARG 29 1.318 -4.652 -12.753 200 HE ARG 29 HE ARG 29 -0.310 -3.768 -10.556 201 HH11 ARG 29 1HH1 ARG 29 0.512 -6.456 -12.610 202 HH12 ARG 29 2HH1 ARG 29 -0.999 -7.269 -12.371 203 HH21 ARG 29 1HH2 ARG 29 -2.303 -4.828 -10.234 204 HH22 ARG 29 2HH2 ARG 29 -2.600 -6.341 -11.020 205 H TRP 30 H TRP 30 5.549 -4.643 -8.205 206 HA TRP 30 HA TRP 30 7.865 -5.526 -9.564 207 HB2 TRP 30 1HB TRP 30 8.432 -6.651 -7.450 208 HB3 TRP 30 2HB TRP 30 7.885 -5.000 -7.176 209 HD1 TRP 30 HD1 TRP 30 5.437 -4.695 -6.052 210 HE1 TRP 30 HE1 TRP 30 4.069 -6.271 -4.547 211 HE3 TRP 30 HE3 TRP 30 7.904 -9.071 -7.004 212 HZ2 TRP 30 HZ2 TRP 30 4.039 -9.007 -3.854 213 HZ3 TRP 30 HZ3 TRP 30 7.142 -11.122 -5.878 214 HH2 TRP 30 HH2 TRP 30 5.250 -11.089 -4.336 215 H ASP 31 H ASP 31 4.755 -6.836 -9.350 216 HA ASP 31 HA ASP 31 5.570 -9.600 -9.654 217 HB2 ASP 31 1HB ASP 31 3.548 -9.172 -8.400 218 HB3 ASP 31 2HB ASP 31 2.856 -8.270 -9.746 219 H GLN 32 H GLN 32 4.716 -6.910 -11.659 220 HA GLN 32 HA GLN 32 4.061 -8.411 -13.996 221 HB2 GLN 32 1HB GLN 32 3.335 -6.056 -13.571 222 HB3 GLN 32 2HB GLN 32 4.998 -5.543 -13.824 223 HG2 GLN 32 1HG GLN 32 4.112 -5.156 -15.890 224 HG3 GLN 32 2HG GLN 32 4.723 -6.796 -16.100 225 HE21 GLN 32 2HE2 GLN 32 3.172 -8.552 -15.796 226 HE22 GLN 32 1HE2 GLN 32 1.527 -8.296 -16.257 227 H ILE 33 H ILE 33 7.003 -7.345 -12.529 228 HA ILE 33 HA ILE 33 8.755 -7.189 -14.652 229 HB ILE 33 HB ILE 33 9.334 -8.439 -11.963 230 HG12 ILE 33 1HG1 ILE 33 8.370 -6.188 -11.760 231 HG13 ILE 33 2HG1 ILE 33 10.070 -6.193 -11.302 232 HG21 ILE 33 1HG2 ILE 33 11.039 -8.883 -13.690 233 HG22 ILE 33 2HG2 ILE 33 11.211 -7.145 -13.936 234 HG23 ILE 33 3HG2 ILE 33 11.644 -7.863 -12.385 235 HD11 ILE 33 3HD1 ILE 33 9.852 -5.611 -14.084 236 HD12 ILE 33 1HD1 ILE 33 8.780 -4.547 -13.174 237 HD13 ILE 33 2HD1 ILE 33 10.498 -4.613 -12.782 238 HA PRO 34 HA PRO 34 8.694 -11.246 -16.414 239 HB2 PRO 34 1HB PRO 34 10.900 -10.980 -17.973 240 HB3 PRO 34 2HB PRO 34 9.349 -10.230 -18.367 241 HG2 PRO 34 1HG PRO 34 11.766 -9.019 -17.080 242 HG3 PRO 34 2HG PRO 34 10.714 -8.348 -18.340 243 HD2 PRO 34 1HD PRO 34 10.507 -7.634 -15.737 244 HD3 PRO 34 2HD PRO 34 9.106 -7.692 -16.825 245 H ASP 35 H ASP 35 9.416 -13.127 -15.644 246 HA ASP 35 HA ASP 35 11.538 -13.231 -13.740 247 HB2 ASP 35 1HB ASP 35 11.006 -15.545 -13.502 248 HB3 ASP 35 2HB ASP 35 9.480 -14.695 -13.736 249 H ASP 36 H ASP 36 11.396 -13.477 -17.135 250 HA ASP 36 HA ASP 36 13.720 -15.140 -17.461 251 HB2 ASP 36 1HB ASP 36 12.153 -13.426 -19.394 252 HB3 ASP 36 2HB ASP 36 13.541 -14.403 -19.866 253 H TRP 37 H TRP 37 13.160 -11.857 -16.779 254 HA TRP 37 HA TRP 37 15.207 -10.515 -18.050 255 HB2 TRP 37 1HB TRP 37 13.358 -9.833 -16.185 256 HB3 TRP 37 2HB TRP 37 14.823 -9.801 -15.208 257 HD1 TRP 37 HD1 TRP 37 16.074 -7.572 -15.227 258 HE1 TRP 37 HE1 TRP 37 16.138 -5.504 -16.758 259 HE3 TRP 37 HE3 TRP 37 13.004 -9.233 -18.963 260 HZ2 TRP 37 HZ2 TRP 37 15.033 -4.686 -19.223 261 HZ3 TRP 37 HZ3 TRP 37 12.559 -7.746 -20.872 262 HH2 TRP 37 HH2 TRP 37 13.553 -5.520 -20.997 263 H CYS 38 H CYS 38 17.371 -10.347 -17.822 264 HA CYS 38 HA CYS 38 18.628 -11.906 -15.661 265 HB2 CYS 38 1HB CYS 38 18.876 -12.986 -17.878 266 HB3 CYS 38 2HB CYS 38 19.668 -11.534 -18.477 267 HG CYS 38 HG CYS 38 20.935 -13.278 -15.832 268 H CYS 39 H CYS 39 19.847 -10.750 -14.331 269 HA CYS 39 HA CYS 39 20.814 -8.125 -15.244 270 HB2 CYS 39 1HB CYS 39 19.609 -9.067 -12.750 271 HB3 CYS 39 2HB CYS 39 21.083 -8.141 -12.495 272 HG CYS 39 HG CYS 39 18.388 -7.015 -14.280 273 HA PRO 40 HA PRO 40 25.023 -9.252 -14.753 274 HB2 PRO 40 1HB PRO 40 26.107 -7.042 -13.608 275 HB3 PRO 40 2HB PRO 40 25.574 -7.088 -15.293 276 HG2 PRO 40 1HG PRO 40 24.166 -5.990 -12.890 277 HG3 PRO 40 2HG PRO 40 24.309 -5.298 -14.517 278 HD2 PRO 40 1HD PRO 40 22.088 -6.600 -13.678 279 HD3 PRO 40 2HD PRO 40 22.631 -6.630 -15.368 280 H ASP 41 H ASP 41 23.864 -7.574 -11.823 281 HA ASP 41 HA ASP 41 25.678 -9.042 -10.134 282 HB2 ASP 41 1HB ASP 41 23.813 -6.793 -9.835 283 HB3 ASP 41 2HB ASP 41 23.892 -7.849 -8.428 284 H CYS 42 H CYS 42 22.132 -8.874 -10.454 285 HA CYS 42 HA CYS 42 21.492 -10.865 -8.624 286 HB2 CYS 42 1HB CYS 42 19.815 -9.375 -9.599 287 HB3 CYS 42 2HB CYS 42 20.047 -10.121 -11.176 288 HG CYS 42 HG CYS 42 18.436 -12.112 -10.854 289 H SER 43 H SER 43 22.873 -11.117 -11.765 290 HA SER 43 HA SER 43 22.090 -13.603 -12.645 291 HB2 SER 43 1HB SER 43 23.471 -12.630 -14.188 292 HB3 SER 43 2HB SER 43 24.546 -11.960 -12.960 293 HG SER 43 HG SER 43 24.413 -14.690 -13.734 294 H VAL 44 H VAL 44 24.299 -12.795 -10.059 295 HA VAL 44 HA VAL 44 24.683 -15.671 -9.536 296 HB VAL 44 HB VAL 44 26.743 -15.064 -8.324 297 HG11 VAL 44 1HG1 VAL 44 27.277 -13.789 -10.907 298 HG12 VAL 44 2HG1 VAL 44 27.960 -15.254 -10.199 299 HG13 VAL 44 3HG1 VAL 44 26.397 -15.313 -11.016 300 HG21 VAL 44 3HG2 VAL 44 27.679 -12.818 -8.541 301 HG22 VAL 44 1HG2 VAL 44 26.230 -12.291 -9.397 302 HG23 VAL 44 2HG2 VAL 44 26.126 -12.779 -7.705 303 H ARG 45 H ARG 45 22.499 -13.826 -8.669 304 HA ARG 45 HA ARG 45 22.634 -14.485 -5.829 305 HB2 ARG 45 1HB ARG 45 22.092 -11.714 -6.902 306 HB3 ARG 45 2HB ARG 45 21.714 -12.213 -5.258 307 HG2 ARG 45 1HG ARG 45 24.487 -12.503 -6.342 308 HG3 ARG 45 2HG ARG 45 23.914 -10.959 -5.707 309 HD2 ARG 45 1HD ARG 45 24.906 -11.947 -3.856 310 HD3 ARG 45 2HD ARG 45 23.199 -12.334 -3.644 311 HE ARG 45 HE ARG 45 24.677 -14.359 -5.049 312 HH11 ARG 45 1HH1 ARG 45 23.739 -13.149 -1.923 313 HH12 ARG 45 2HH1 ARG 45 23.934 -14.676 -1.128 314 HH21 ARG 45 1HH2 ARG 45 24.938 -16.375 -4.015 315 HH22 ARG 45 2HH2 ARG 45 24.617 -16.510 -2.319 316 H GLU 46 H GLU 46 20.726 -15.164 -5.020 317 HA GLU 46 HA GLU 46 18.598 -15.770 -6.765 318 HB2 GLU 46 1HB GLU 46 18.554 -15.687 -3.743 319 HB3 GLU 46 2HB GLU 46 17.415 -16.538 -4.778 320 HG2 GLU 46 1HG GLU 46 20.324 -17.155 -4.349 321 HG3 GLU 46 2HG GLU 46 18.930 -18.139 -3.905 322 H LYS 47 H LYS 47 16.628 -14.836 -7.105 323 HA LYS 47 HA LYS 47 16.402 -12.043 -6.790 324 HB2 LYS 47 1HB LYS 47 15.219 -13.804 -8.419 325 HB3 LYS 47 2HB LYS 47 13.943 -13.662 -7.217 326 HG2 LYS 47 1HG LYS 47 13.414 -11.557 -7.826 327 HG3 LYS 47 2HG LYS 47 15.084 -11.128 -8.202 328 HD2 LYS 47 1HD LYS 47 14.911 -11.801 -10.359 329 HD3 LYS 47 2HD LYS 47 13.820 -13.132 -9.967 330 HE2 LYS 47 1HE LYS 47 13.065 -10.212 -10.050 331 HE3 LYS 47 2HE LYS 47 12.726 -11.390 -11.317 332 HZ1 LYS 47 3HZ LYS 47 11.609 -12.653 -9.335 333 HZ2 LYS 47 1HZ LYS 47 10.777 -11.436 -10.166 334 HZ3 LYS 47 2HZ LYS 47 11.498 -11.100 -8.673 335 H VAL 48 H VAL 48 15.172 -14.754 -4.928 336 HA VAL 48 HA VAL 48 13.432 -13.188 -3.285 337 HB VAL 48 HB VAL 48 13.140 -15.637 -3.663 338 HG11 VAL 48 1HG1 VAL 48 14.644 -17.186 -3.042 339 HG12 VAL 48 2HG1 VAL 48 15.783 -15.837 -3.063 340 HG13 VAL 48 3HG1 VAL 48 15.042 -16.345 -1.544 341 HG21 VAL 48 3HG2 VAL 48 13.364 -15.575 -0.760 342 HG22 VAL 48 1HG2 VAL 48 12.601 -14.131 -1.425 343 HG23 VAL 48 2HG2 VAL 48 11.935 -15.725 -1.782 344 H ASP 49 H ASP 49 16.758 -13.463 -3.437 345 HA ASP 49 HA ASP 49 17.511 -13.464 -0.727 346 HB2 ASP 49 1HB ASP 49 19.036 -13.808 -2.704 347 HB3 ASP 49 2HB ASP 49 18.967 -12.069 -2.978 348 H PHE 50 H PHE 50 15.993 -11.080 -2.642 349 HA PHE 50 HA PHE 50 16.901 -8.700 -1.547 350 HB2 PHE 50 1HB PHE 50 14.280 -9.557 -2.721 351 HB3 PHE 50 2HB PHE 50 14.431 -7.957 -2.002 352 HD1 PHE 50 HD1 PHE 50 16.603 -10.062 -4.192 353 HD2 PHE 50 HD2 PHE 50 14.661 -6.324 -3.586 354 HE1 PHE 50 HE1 PHE 50 17.581 -9.219 -6.286 355 HE2 PHE 50 HE2 PHE 50 15.634 -5.475 -5.680 356 HZ PHE 50 HZ PHE 50 17.096 -6.923 -7.033 357 H GLU 51 H GLU 51 15.485 -7.240 -0.119 358 HA GLU 51 HA GLU 51 14.431 -8.776 2.160 359 HB2 GLU 51 1HB GLU 51 15.408 -6.933 3.618 360 HB3 GLU 51 2HB GLU 51 16.551 -8.071 2.919 361 HG2 GLU 51 1HG GLU 51 17.023 -6.427 1.130 362 HG3 GLU 51 2HG GLU 51 15.968 -5.281 1.956 363 H ARG 52 H ARG 52 12.317 -8.369 2.172 364 HA ARG 52 HA ARG 52 11.071 -6.117 1.063 365 HB2 ARG 52 1HB ARG 52 9.065 -6.866 2.344 366 HB3 ARG 52 2HB ARG 52 9.819 -8.140 1.395 367 HG2 ARG 52 1HG ARG 52 10.867 -9.044 3.379 368 HG3 ARG 52 2HG ARG 52 10.212 -7.725 4.351 369 HD2 ARG 52 1HD ARG 52 7.918 -8.513 3.564 370 HD3 ARG 52 2HD ARG 52 8.737 -9.971 3.006 371 HE ARG 52 HE ARG 52 9.304 -9.340 5.744 372 HH11 ARG 52 1HH1 ARG 52 7.041 -10.878 3.590 373 HH12 ARG 52 2HH1 ARG 52 6.418 -11.949 4.801 374 HH21 ARG 52 1HH2 ARG 52 8.491 -10.745 7.346 375 HH22 ARG 52 2HH2 ARG 52 7.242 -11.873 6.937 376 H MET 53 H MET 53 10.314 -4.216 1.915 377 HA MET 53 HA MET 53 11.335 -3.525 4.588 378 HB2 MET 53 1HB MET 53 10.955 -1.929 2.080 379 HB3 MET 53 2HB MET 53 10.949 -1.119 3.641 380 HG2 MET 53 1HG MET 53 13.182 -2.888 2.682 381 HG3 MET 53 2HG MET 53 13.148 -1.139 2.470 382 HE1 MET 53 3HE MET 53 14.592 0.343 5.125 383 HE2 MET 53 1HE MET 53 13.332 0.471 3.897 384 HE3 MET 53 2HE MET 53 12.894 0.382 5.603 385 H GLY 54 H GLY 54 9.941 -3.002 6.156 386 HA2 GLY 54 1HA GLY 54 7.777 -1.551 6.361 387 HA3 GLY 54 2HA GLY 54 7.093 -2.896 5.461 388 H GLY 55 H GLY 55 6.932 -1.720 8.350 389 HA2 GLY 55 1HA GLY 55 7.652 -4.051 9.930 390 HA3 GLY 55 2HA GLY 55 6.963 -2.551 10.534 391 H LYS 56 H LYS 56 4.629 -2.178 9.683 392 HA LYS 56 HA LYS 56 3.014 -4.225 10.740 393 HB2 LYS 56 1HB LYS 56 1.118 -2.890 9.935 394 HB3 LYS 56 2HB LYS 56 2.317 -1.885 10.741 395 HG2 LYS 56 1HG LYS 56 2.001 -0.571 8.944 396 HG3 LYS 56 2HG LYS 56 3.177 -1.664 8.210 397 HD2 LYS 56 1HD LYS 56 1.553 -1.766 6.616 398 HD3 LYS 56 2HD LYS 56 0.976 -3.054 7.677 399 HE2 LYS 56 1HE LYS 56 -0.945 -1.821 7.344 400 HE3 LYS 56 2HE LYS 56 -0.333 -1.132 8.846 401 HZ1 LYS 56 3HZ LYS 56 0.007 0.837 7.884 402 HZ2 LYS 56 1HZ LYS 56 -1.004 0.281 6.646 403 HZ3 LYS 56 2HZ LYS 56 0.675 0.163 6.483 Start of MODEL 6 1 H1 MET 1 H MET 1 1.491 -1.950 1.301 2 HA MET 1 HA MET 1 1.022 -2.896 -1.437 3 HB2 MET 1 1HB MET 1 2.349 -0.308 -0.633 4 HB3 MET 1 2HB MET 1 2.548 -1.030 -2.224 5 HG2 MET 1 1HG MET 1 0.026 -0.971 -2.415 6 HG3 MET 1 2HG MET 1 0.042 0.049 -0.977 7 HE1 MET 1 3HE MET 1 -0.440 -0.001 -4.425 8 HE2 MET 1 1HE MET 1 0.369 1.371 -5.182 9 HE3 MET 1 2HE MET 1 1.271 -0.106 -4.844 10 H THR 2 H THR 2 3.000 -3.501 -2.572 11 HA THR 2 HA THR 2 4.898 -4.730 -0.733 12 HB THR 2 HB THR 2 4.546 -5.069 -3.718 13 HG1 THR 2 HG1 THR 2 3.649 -6.468 -1.440 14 HG21 THR 2 3HG2 THR 2 6.811 -5.556 -3.310 15 HG22 THR 2 1HG2 THR 2 6.005 -7.123 -3.267 16 HG23 THR 2 2HG2 THR 2 6.456 -6.322 -1.762 17 H ALA 3 H ALA 3 7.100 -4.374 -0.756 18 HA ALA 3 HA ALA 3 8.233 -2.457 -2.623 19 HB1 ALA 3 1HB ALA 3 8.225 -1.939 0.349 20 HB2 ALA 3 2HB ALA 3 9.117 -1.007 -0.855 21 HB3 ALA 3 3HB ALA 3 7.354 -1.014 -0.875 22 H TYR 4 H TYR 4 10.040 -3.384 -3.302 23 HA TYR 4 HA TYR 4 11.612 -4.980 -1.389 24 HB2 TYR 4 1HB TYR 4 11.091 -5.318 -4.324 25 HB3 TYR 4 2HB TYR 4 12.551 -5.987 -3.606 26 HD1 TYR 4 HD2 TYR 4 12.414 -7.812 -1.979 27 HD2 TYR 4 HD1 TYR 4 8.921 -6.263 -3.851 28 HE1 TYR 4 HE2 TYR 4 11.154 -9.797 -1.257 29 HE2 TYR 4 HE1 TYR 4 7.651 -8.244 -3.134 30 HH TYR 4 HH TYR 4 7.991 -10.495 -2.433 31 H ARG 5 H ARG 5 13.726 -4.520 -1.094 32 HA ARG 5 HA ARG 5 15.028 -2.609 -2.893 33 HB2 ARG 5 1HB ARG 5 14.165 -1.235 -1.100 34 HB3 ARG 5 2HB ARG 5 14.837 -2.322 0.109 35 HG2 ARG 5 1HG ARG 5 16.630 -1.024 0.163 36 HG3 ARG 5 2HG ARG 5 17.005 -1.571 -1.472 37 HD2 ARG 5 1HD ARG 5 16.306 0.357 -2.420 38 HD3 ARG 5 2HD ARG 5 14.993 0.572 -1.264 39 HE ARG 5 HE ARG 5 17.662 1.628 -1.076 40 HH11 ARG 5 1HH1 ARG 5 14.801 0.722 0.689 41 HH12 ARG 5 2HH1 ARG 5 15.139 1.766 2.029 42 HH21 ARG 5 1HH2 ARG 5 18.118 3.007 0.683 43 HH22 ARG 5 2HH2 ARG 5 17.026 3.066 2.024 44 H CYS 6 H CYS 6 16.579 -3.922 -3.670 45 HA CYS 6 HA CYS 6 18.635 -4.815 -1.841 46 HB2 CYS 6 1HB CYS 6 16.739 -6.648 -2.290 47 HB3 CYS 6 2HB CYS 6 17.721 -6.930 -3.722 48 HG CYS 6 HG CYS 6 18.210 -7.955 -0.645 49 HA PRO 7 HA PRO 7 20.307 -3.192 -5.789 50 HB2 PRO 7 1HB PRO 7 22.457 -2.008 -4.628 51 HB3 PRO 7 2HB PRO 7 20.870 -1.235 -4.725 52 HG2 PRO 7 1HG PRO 7 22.132 -2.690 -2.433 53 HG3 PRO 7 2HG PRO 7 21.212 -1.175 -2.425 54 HD2 PRO 7 1HD PRO 7 20.119 -3.547 -1.710 55 HD3 PRO 7 2HD PRO 7 19.181 -2.262 -2.497 56 H VAL 8 H VAL 8 21.443 -5.324 -3.356 57 HA VAL 8 HA VAL 8 24.017 -5.929 -4.272 58 HB VAL 8 HB VAL 8 22.045 -7.802 -2.955 59 HG11 VAL 8 1HG1 VAL 8 23.663 -9.265 -3.594 60 HG12 VAL 8 2HG1 VAL 8 24.914 -8.022 -3.671 61 HG13 VAL 8 3HG1 VAL 8 24.411 -8.674 -2.110 62 HG21 VAL 8 3HG2 VAL 8 22.222 -6.186 -1.358 63 HG22 VAL 8 1HG2 VAL 8 23.667 -7.119 -0.967 64 HG23 VAL 8 2HG2 VAL 8 23.802 -5.643 -1.923 65 H CYS 9 H CYS 9 20.944 -6.636 -5.620 66 HA CYS 9 HA CYS 9 22.192 -8.516 -7.515 67 HB2 CYS 9 1HB CYS 9 19.228 -8.425 -7.140 68 HB3 CYS 9 2HB CYS 9 20.253 -9.772 -7.623 69 HG CYS 9 HG CYS 9 21.372 -9.850 -4.908 70 H ASP 10 H ASP 10 19.484 -6.205 -7.283 71 HA ASP 10 HA ASP 10 20.330 -4.954 -9.761 72 HB2 ASP 10 1HB ASP 10 18.171 -5.219 -10.870 73 HB3 ASP 10 2HB ASP 10 18.877 -6.795 -10.523 74 H TYR 11 H TYR 11 19.078 -2.982 -10.234 75 HA TYR 11 HA TYR 11 18.950 -1.229 -8.145 76 HB2 TYR 11 1HB TYR 11 17.539 -1.267 -10.796 77 HB3 TYR 11 2HB TYR 11 17.250 0.039 -9.652 78 HD1 TYR 11 HD2 TYR 11 19.428 1.190 -8.712 79 HD2 TYR 11 HD1 TYR 11 19.255 -1.042 -12.331 80 HE1 TYR 11 HE2 TYR 11 21.446 2.344 -9.514 81 HE2 TYR 11 HE1 TYR 11 21.274 0.105 -13.142 82 HH TYR 11 HH TYR 11 23.355 1.711 -11.262 83 H THR 12 H THR 12 17.161 -0.184 -7.058 84 HA THR 12 HA THR 12 15.006 -2.091 -6.444 85 HB THR 12 HB THR 12 14.845 -1.182 -4.277 86 HG1 THR 12 HG1 THR 12 16.496 0.953 -5.199 87 HG21 THR 12 3HG2 THR 12 16.818 -1.883 -3.418 88 HG22 THR 12 1HG2 THR 12 17.767 -0.813 -4.447 89 HG23 THR 12 2HG2 THR 12 17.149 -2.334 -5.090 90 H TYR 13 H TYR 13 12.917 -1.546 -6.723 91 HA TYR 13 HA TYR 13 12.164 1.237 -7.115 92 HB2 TYR 13 1HB TYR 13 11.663 -0.879 -9.218 93 HB3 TYR 13 2HB TYR 13 10.997 0.750 -9.239 94 HD1 TYR 13 HD1 TYR 13 12.843 2.664 -9.025 95 HD2 TYR 13 HD2 TYR 13 13.564 -1.275 -10.462 96 HE1 TYR 13 HE1 TYR 13 14.838 3.470 -10.215 97 HE2 TYR 13 HE2 TYR 13 15.562 -0.480 -11.656 98 HH TYR 13 HH TYR 13 16.721 1.325 -12.306 99 H ASP 14 H ASP 14 10.618 1.426 -5.632 100 HA ASP 14 HA ASP 14 8.967 -0.730 -4.782 101 HB2 ASP 14 1HB ASP 14 9.532 1.091 -3.262 102 HB3 ASP 14 2HB ASP 14 8.711 2.247 -4.308 103 H GLU 15 H GLU 15 6.672 -0.906 -4.980 104 HA GLU 15 HA GLU 15 5.693 -0.759 -7.562 105 HB2 GLU 15 1HB GLU 15 4.279 -0.908 -4.906 106 HB3 GLU 15 2HB GLU 15 3.402 -0.940 -6.430 107 HG2 GLU 15 1HG GLU 15 4.725 -2.924 -7.095 108 HG3 GLU 15 2HG GLU 15 5.468 -2.918 -5.497 109 H GLY 16 H GLY 16 5.306 1.547 -4.902 110 HA2 GLY 16 1HA GLY 16 3.733 3.333 -6.579 111 HA3 GLY 16 2HA GLY 16 4.143 3.580 -4.888 112 H LYS 17 H LYS 17 6.810 2.681 -6.767 113 HA LYS 17 HA LYS 17 7.918 5.353 -6.530 114 HB2 LYS 17 1HB LYS 17 9.043 2.952 -6.143 115 HB3 LYS 17 2HB LYS 17 9.450 3.170 -7.840 116 HG2 LYS 17 1HG LYS 17 11.290 4.013 -6.693 117 HG3 LYS 17 2HG LYS 17 10.368 5.450 -7.144 118 HD2 LYS 17 1HD LYS 17 9.405 5.556 -4.912 119 HD3 LYS 17 2HD LYS 17 10.258 4.079 -4.456 120 HE2 LYS 17 1HE LYS 17 12.402 5.236 -4.877 121 HE3 LYS 17 2HE LYS 17 11.509 6.714 -5.229 122 HZ1 LYS 17 3HZ LYS 17 10.507 6.268 -2.886 123 HZ2 LYS 17 1HZ LYS 17 12.024 7.002 -3.033 124 HZ3 LYS 17 2HZ LYS 17 11.913 5.357 -2.658 125 H GLY 18 H GLY 18 7.338 2.976 -9.117 126 HA2 GLY 18 1HA GLY 18 6.552 3.510 -11.274 127 HA3 GLY 18 2HA GLY 18 6.996 5.188 -10.996 128 H ASP 19 H ASP 19 9.092 5.876 -11.417 129 HA ASP 19 HA ASP 19 11.078 5.931 -12.523 130 HB2 ASP 19 1HB ASP 19 11.024 3.217 -11.313 131 HB3 ASP 19 2HB ASP 19 12.235 3.514 -12.557 132 HA PRO 20 HA PRO 20 9.004 4.253 -16.322 133 HB2 PRO 20 1HB PRO 20 9.062 6.605 -17.675 134 HB3 PRO 20 2HB PRO 20 7.755 6.164 -16.570 135 HG2 PRO 20 1HG PRO 20 10.123 7.932 -16.093 136 HG3 PRO 20 2HG PRO 20 8.432 8.173 -15.615 137 HD2 PRO 20 1HD PRO 20 10.320 7.280 -13.891 138 HD3 PRO 20 2HD PRO 20 8.619 6.782 -13.787 139 H ARG 21 H ARG 21 11.957 5.838 -15.557 140 HA ARG 21 HA ARG 21 13.184 5.865 -18.093 141 HB2 ARG 21 1HB ARG 21 14.134 5.986 -15.271 142 HB3 ARG 21 2HB ARG 21 15.318 5.633 -16.523 143 HG2 ARG 21 1HG ARG 21 15.320 7.985 -16.103 144 HG3 ARG 21 2HG ARG 21 14.618 7.702 -17.697 145 HD2 ARG 21 1HD ARG 21 12.460 8.186 -16.966 146 HD3 ARG 21 2HD ARG 21 12.876 7.930 -15.271 147 HE ARG 21 HE ARG 21 13.181 10.353 -16.785 148 HH11 ARG 21 1HH1 ARG 21 14.315 8.531 -14.044 149 HH12 ARG 21 2HH1 ARG 21 14.900 9.923 -13.195 150 HH21 ARG 21 1HH2 ARG 21 13.947 12.194 -15.678 151 HH22 ARG 21 2HH2 ARG 21 14.690 12.006 -14.125 152 H GLU 22 H GLU 22 12.543 3.322 -15.851 153 HA GLU 22 HA GLU 22 14.426 1.513 -17.165 154 HB2 GLU 22 1HB GLU 22 12.830 1.415 -14.637 155 HB3 GLU 22 2HB GLU 22 13.363 -0.091 -15.370 156 HG2 GLU 22 1HG GLU 22 14.840 0.938 -13.573 157 HG3 GLU 22 2HG GLU 22 15.615 0.413 -15.066 158 H GLY 23 H GLY 23 11.964 2.579 -18.460 159 HA2 GLY 23 1HA GLY 23 10.430 1.765 -19.966 160 HA3 GLY 23 2HA GLY 23 11.134 0.174 -19.719 161 H PHE 24 H PHE 24 10.086 1.718 -16.869 162 HA PHE 24 HA PHE 24 7.481 0.372 -16.969 163 HB2 PHE 24 1HB PHE 24 9.436 0.154 -14.670 164 HB3 PHE 24 2HB PHE 24 7.812 -0.524 -14.710 165 HD1 PHE 24 HD2 PHE 24 7.547 -1.821 -17.210 166 HD2 PHE 24 HD1 PHE 24 11.005 -1.510 -14.749 167 HE1 PHE 24 HE2 PHE 24 8.435 -3.890 -18.202 168 HE2 PHE 24 HE1 PHE 24 11.899 -3.577 -15.738 169 HZ PHE 24 HZ PHE 24 10.613 -4.771 -17.466 170 HA PRO 25 HA PRO 25 6.998 4.686 -15.459 171 HB2 PRO 25 1HB PRO 25 4.607 5.068 -16.687 172 HB3 PRO 25 2HB PRO 25 6.156 5.305 -17.505 173 HG2 PRO 25 1HG PRO 25 4.303 2.955 -17.600 174 HG3 PRO 25 2HG PRO 25 5.182 3.741 -18.924 175 HD2 PRO 25 1HD PRO 25 6.034 1.443 -17.773 176 HD3 PRO 25 2HD PRO 25 7.154 2.654 -18.429 177 H ALA 26 H ALA 26 4.789 5.647 -14.558 178 HA ALA 26 HA ALA 26 4.175 4.330 -12.212 179 HB1 ALA 26 1HB ALA 26 3.509 6.492 -12.079 180 HB2 ALA 26 2HB ALA 26 2.934 6.535 -13.746 181 HB3 ALA 26 3HB ALA 26 1.950 5.778 -12.494 182 H GLY 27 H GLY 27 2.845 2.719 -11.627 183 HA2 GLY 27 1HA GLY 27 0.686 1.606 -11.872 184 HA3 GLY 27 2HA GLY 27 0.871 1.776 -13.611 185 H THR 28 H THR 28 3.863 1.039 -12.594 186 HA THR 28 HA THR 28 3.538 -1.759 -13.327 187 HB THR 28 HB THR 28 6.064 -0.172 -12.829 188 HG1 THR 28 HG1 THR 28 4.602 0.305 -14.731 189 HG21 THR 28 3HG2 THR 28 6.764 -2.252 -14.426 190 HG22 THR 28 1HG2 THR 28 5.537 -3.008 -13.410 191 HG23 THR 28 2HG2 THR 28 6.945 -2.244 -12.672 192 H ARG 29 H ARG 29 4.110 -3.495 -12.050 193 HA ARG 29 HA ARG 29 4.713 -2.891 -9.230 194 HB2 ARG 29 1HB ARG 29 3.389 -5.057 -8.775 195 HB3 ARG 29 2HB ARG 29 2.487 -3.591 -9.137 196 HG2 ARG 29 1HG ARG 29 3.179 -5.310 -11.435 197 HG3 ARG 29 2HG ARG 29 1.989 -5.944 -10.295 198 HD2 ARG 29 1HD ARG 29 1.467 -3.173 -10.903 199 HD3 ARG 29 2HD ARG 29 1.549 -4.136 -12.378 200 HE ARG 29 HE ARG 29 -0.046 -5.589 -10.711 201 HH11 ARG 29 1HH1 ARG 29 -0.090 -2.326 -11.924 202 HH12 ARG 29 2HH1 ARG 29 -1.817 -2.196 -11.885 203 HH21 ARG 29 1HH2 ARG 29 -2.320 -5.431 -10.656 204 HH22 ARG 29 2HH2 ARG 29 -3.085 -3.963 -11.162 205 H TRP 30 H TRP 30 5.628 -4.819 -8.057 206 HA TRP 30 HA TRP 30 7.953 -5.713 -9.381 207 HB2 TRP 30 1HB TRP 30 8.373 -7.032 -7.365 208 HB3 TRP 30 2HB TRP 30 7.825 -5.413 -6.940 209 HD1 TRP 30 HD1 TRP 30 5.214 -5.222 -6.081 210 HE1 TRP 30 HE1 TRP 30 3.787 -6.925 -4.783 211 HE3 TRP 30 HE3 TRP 30 7.942 -9.445 -7.013 212 HZ2 TRP 30 HZ2 TRP 30 3.814 -9.692 -4.226 213 HZ3 TRP 30 HZ3 TRP 30 7.173 -11.579 -6.061 214 HH2 TRP 30 HH2 TRP 30 5.152 -11.698 -4.696 215 H ASP 31 H ASP 31 4.769 -6.872 -9.424 216 HA ASP 31 HA ASP 31 5.445 -9.634 -9.953 217 HB2 ASP 31 1HB ASP 31 3.302 -8.783 -8.818 218 HB3 ASP 31 2HB ASP 31 2.762 -8.354 -10.438 219 H GLN 32 H GLN 32 4.664 -6.748 -11.771 220 HA GLN 32 HA GLN 32 4.160 -7.982 -14.260 221 HB2 GLN 32 1HB GLN 32 4.948 -5.214 -13.417 222 HB3 GLN 32 2HB GLN 32 4.905 -5.638 -15.123 223 HG2 GLN 32 1HG GLN 32 2.565 -6.046 -13.288 224 HG3 GLN 32 2HG GLN 32 2.836 -4.551 -14.182 225 HE21 GLN 32 2HE2 GLN 32 1.753 -7.793 -14.317 226 HE22 GLN 32 1HE2 GLN 32 1.286 -7.807 -15.981 227 H ILE 33 H ILE 33 7.084 -7.174 -12.571 228 HA ILE 33 HA ILE 33 8.945 -7.024 -14.600 229 HB ILE 33 HB ILE 33 9.326 -8.416 -11.946 230 HG12 ILE 33 1HG1 ILE 33 8.473 -6.138 -11.666 231 HG13 ILE 33 2HG1 ILE 33 10.157 -6.236 -11.161 232 HG21 ILE 33 1HG2 ILE 33 11.088 -8.872 -13.613 233 HG22 ILE 33 2HG2 ILE 33 11.361 -7.137 -13.765 234 HG23 ILE 33 3HG2 ILE 33 11.679 -7.948 -12.232 235 HD11 ILE 33 3HD1 ILE 33 10.856 -5.234 -13.260 236 HD12 ILE 33 1HD1 ILE 33 9.178 -5.166 -13.798 237 HD13 ILE 33 2HD1 ILE 33 9.702 -4.201 -12.417 238 HA PRO 34 HA PRO 34 8.761 -10.994 -16.542 239 HB2 PRO 34 1HB PRO 34 11.055 -10.783 -17.979 240 HB3 PRO 34 2HB PRO 34 9.568 -9.933 -18.414 241 HG2 PRO 34 1HG PRO 34 11.976 -8.912 -16.958 242 HG3 PRO 34 2HG PRO 34 11.027 -8.131 -18.237 243 HD2 PRO 34 1HD PRO 34 10.725 -7.518 -15.617 244 HD3 PRO 34 2HD PRO 34 9.380 -7.453 -16.774 245 H ASP 35 H ASP 35 9.304 -12.919 -15.746 246 HA ASP 35 HA ASP 35 11.236 -13.265 -13.727 247 HB2 ASP 35 1HB ASP 35 9.790 -15.270 -15.466 248 HB3 ASP 35 2HB ASP 35 10.829 -15.722 -14.117 249 H ASP 36 H ASP 36 11.534 -13.118 -17.108 250 HA ASP 36 HA ASP 36 14.036 -14.629 -17.141 251 HB2 ASP 36 1HB ASP 36 12.133 -14.686 -18.958 252 HB3 ASP 36 2HB ASP 36 12.930 -13.230 -19.546 253 H TRP 37 H TRP 37 13.677 -11.993 -15.789 254 HA TRP 37 HA TRP 37 15.137 -10.085 -17.364 255 HB2 TRP 37 1HB TRP 37 13.469 -9.387 -15.678 256 HB3 TRP 37 2HB TRP 37 14.490 -10.058 -14.408 257 HD1 TRP 37 HD1 TRP 37 16.174 -8.130 -17.217 258 HE1 TRP 37 HE1 TRP 37 17.077 -5.908 -16.284 259 HE3 TRP 37 HE3 TRP 37 14.026 -8.265 -12.580 260 HZ2 TRP 37 HZ2 TRP 37 16.902 -4.410 -13.898 261 HZ3 TRP 37 HZ3 TRP 37 14.444 -6.398 -11.032 262 HH2 TRP 37 HH2 TRP 37 15.853 -4.512 -11.679 263 H CYS 38 H CYS 38 17.249 -10.188 -17.705 264 HA CYS 38 HA CYS 38 18.942 -11.612 -15.783 265 HB2 CYS 38 1HB CYS 38 19.667 -10.657 -18.558 266 HB3 CYS 38 2HB CYS 38 20.578 -11.773 -17.549 267 HG CYS 38 HG CYS 38 17.980 -12.357 -19.569 268 H CYS 39 H CYS 39 20.343 -10.579 -14.512 269 HA CYS 39 HA CYS 39 20.995 -7.777 -15.139 270 HB2 CYS 39 1HB CYS 39 19.769 -8.921 -12.741 271 HB3 CYS 39 2HB CYS 39 21.183 -7.936 -12.390 272 HG CYS 39 HG CYS 39 20.215 -5.610 -13.439 273 HA PRO 40 HA PRO 40 25.238 -8.735 -14.581 274 HB2 PRO 40 1HB PRO 40 26.181 -6.541 -13.290 275 HB3 PRO 40 2HB PRO 40 25.699 -6.521 -14.991 276 HG2 PRO 40 1HG PRO 40 24.171 -5.621 -12.579 277 HG3 PRO 40 2HG PRO 40 24.327 -4.837 -14.162 278 HD2 PRO 40 1HD PRO 40 22.149 -6.284 -13.461 279 HD3 PRO 40 2HD PRO 40 22.741 -6.198 -15.133 280 H ASP 41 H ASP 41 23.930 -7.261 -11.604 281 HA ASP 41 HA ASP 41 25.758 -8.739 -9.941 282 HB2 ASP 41 1HB ASP 41 23.790 -6.588 -9.582 283 HB3 ASP 41 2HB ASP 41 23.876 -7.713 -8.228 284 H CYS 42 H CYS 42 22.220 -8.709 -10.365 285 HA CYS 42 HA CYS 42 21.615 -10.814 -8.654 286 HB2 CYS 42 1HB CYS 42 19.938 -9.302 -9.675 287 HB3 CYS 42 2HB CYS 42 20.195 -10.091 -11.226 288 HG CYS 42 HG CYS 42 18.063 -10.870 -8.929 289 H SER 43 H SER 43 23.100 -10.848 -11.758 290 HA SER 43 HA SER 43 22.454 -13.317 -12.785 291 HB2 SER 43 1HB SER 43 24.556 -11.393 -13.154 292 HB3 SER 43 2HB SER 43 25.241 -13.018 -13.179 293 HG SER 43 HG SER 43 23.362 -13.446 -14.672 294 H VAL 44 H VAL 44 24.546 -12.548 -10.091 295 HA VAL 44 HA VAL 44 25.045 -15.428 -9.701 296 HB VAL 44 HB VAL 44 26.996 -14.690 -8.286 297 HG11 VAL 44 1HG1 VAL 44 26.889 -15.284 -10.889 298 HG12 VAL 44 2HG1 VAL 44 27.536 -13.646 -11.001 299 HG13 VAL 44 3HG1 VAL 44 28.392 -14.871 -10.063 300 HG21 VAL 44 3HG2 VAL 44 26.962 -12.083 -9.718 301 HG22 VAL 44 1HG2 VAL 44 25.958 -12.263 -8.279 302 HG23 VAL 44 2HG2 VAL 44 27.700 -12.517 -8.176 303 H ARG 45 H ARG 45 22.720 -13.826 -8.830 304 HA ARG 45 HA ARG 45 22.792 -14.607 -6.027 305 HB2 ARG 45 1HB ARG 45 22.546 -11.802 -6.997 306 HB3 ARG 45 2HB ARG 45 21.540 -12.288 -5.639 307 HG2 ARG 45 1HG ARG 45 24.486 -12.806 -5.621 308 HG3 ARG 45 2HG ARG 45 23.835 -11.229 -5.171 309 HD2 ARG 45 1HD ARG 45 23.774 -12.157 -3.113 310 HD3 ARG 45 2HD ARG 45 22.248 -12.818 -3.698 311 HE ARG 45 HE ARG 45 23.186 -14.904 -3.675 312 HH11 ARG 45 1HH1 ARG 45 25.714 -12.517 -3.500 313 HH12 ARG 45 2HH1 ARG 45 26.968 -13.677 -3.207 314 HH21 ARG 45 1HH2 ARG 45 24.828 -16.440 -3.290 315 HH22 ARG 45 2HH2 ARG 45 26.463 -15.908 -3.089 316 H GLU 46 H GLU 46 20.976 -15.636 -5.511 317 HA GLU 46 HA GLU 46 18.886 -16.011 -7.361 318 HB2 GLU 46 1HB GLU 46 19.146 -16.630 -4.424 319 HB3 GLU 46 2HB GLU 46 17.693 -17.019 -5.333 320 HG2 GLU 46 1HG GLU 46 19.092 -18.362 -6.883 321 HG3 GLU 46 2HG GLU 46 20.469 -18.064 -5.824 322 H LYS 47 H LYS 47 16.851 -15.163 -7.519 323 HA LYS 47 HA LYS 47 16.430 -12.503 -6.798 324 HB2 LYS 47 1HB LYS 47 15.214 -14.169 -8.507 325 HB3 LYS 47 2HB LYS 47 14.047 -14.235 -7.193 326 HG2 LYS 47 1HG LYS 47 13.449 -12.034 -7.427 327 HG3 LYS 47 2HG LYS 47 14.993 -11.579 -8.152 328 HD2 LYS 47 1HD LYS 47 14.371 -12.811 -10.193 329 HD3 LYS 47 2HD LYS 47 12.810 -13.199 -9.466 330 HE2 LYS 47 1HE LYS 47 12.759 -11.262 -11.036 331 HE3 LYS 47 2HE LYS 47 12.186 -10.892 -9.410 332 HZ1 LYS 47 3HZ LYS 47 13.960 -9.568 -8.984 333 HZ2 LYS 47 1HZ LYS 47 13.902 -9.358 -10.662 334 HZ3 LYS 47 2HZ LYS 47 15.015 -10.436 -9.982 335 H VAL 48 H VAL 48 15.844 -15.433 -5.046 336 HA VAL 48 HA VAL 48 13.907 -14.546 -3.221 337 HB VAL 48 HB VAL 48 14.623 -16.920 -3.511 338 HG11 VAL 48 1HG1 VAL 48 16.704 -17.614 -3.117 339 HG12 VAL 48 2HG1 VAL 48 17.157 -15.911 -3.013 340 HG13 VAL 48 3HG1 VAL 48 16.752 -16.808 -1.549 341 HG21 VAL 48 3HG2 VAL 48 13.934 -17.501 -1.408 342 HG22 VAL 48 1HG2 VAL 48 14.965 -16.306 -0.621 343 HG23 VAL 48 2HG2 VAL 48 13.474 -15.799 -1.413 344 H ASP 49 H ASP 49 17.210 -13.727 -3.553 345 HA ASP 49 HA ASP 49 17.879 -13.115 -0.891 346 HB2 ASP 49 1HB ASP 49 19.467 -13.270 -2.850 347 HB3 ASP 49 2HB ASP 49 18.898 -11.679 -3.345 348 H PHE 50 H PHE 50 15.788 -11.569 -3.117 349 HA PHE 50 HA PHE 50 15.948 -8.929 -2.044 350 HB2 PHE 50 1HB PHE 50 14.258 -10.354 -4.012 351 HB3 PHE 50 2HB PHE 50 13.510 -8.973 -3.217 352 HD1 PHE 50 HD1 PHE 50 14.400 -6.727 -3.528 353 HD2 PHE 50 HD2 PHE 50 16.074 -10.076 -5.552 354 HE1 PHE 50 HE1 PHE 50 15.559 -5.207 -5.077 355 HE2 PHE 50 HE2 PHE 50 17.237 -8.561 -7.103 356 HZ PHE 50 HZ PHE 50 16.981 -6.123 -6.866 357 H GLU 51 H GLU 51 14.881 -8.019 -0.386 358 HA GLU 51 HA GLU 51 12.848 -9.651 0.989 359 HB2 GLU 51 1HB GLU 51 14.802 -7.751 2.295 360 HB3 GLU 51 2HB GLU 51 13.635 -8.781 3.111 361 HG2 GLU 51 1HG GLU 51 14.854 -10.744 2.073 362 HG3 GLU 51 2HG GLU 51 16.118 -9.595 1.637 363 H ARG 52 H ARG 52 11.153 -8.522 2.048 364 HA ARG 52 HA ARG 52 10.358 -6.128 0.650 365 HB2 ARG 52 1HB ARG 52 8.660 -7.775 1.051 366 HB3 ARG 52 2HB ARG 52 9.014 -7.800 2.773 367 HG2 ARG 52 1HG ARG 52 8.161 -5.554 3.020 368 HG3 ARG 52 2HG ARG 52 7.894 -5.439 1.279 369 HD2 ARG 52 1HD ARG 52 6.559 -7.415 3.126 370 HD3 ARG 52 2HD ARG 52 5.825 -5.930 2.521 371 HE ARG 52 HE ARG 52 6.640 -7.340 0.296 372 HH11 ARG 52 1HH1 ARG 52 4.474 -7.845 2.974 373 HH12 ARG 52 2HH1 ARG 52 3.398 -8.867 2.080 374 HH21 ARG 52 1HH2 ARG 52 5.231 -8.685 -0.892 375 HH22 ARG 52 2HH2 ARG 52 3.830 -9.345 -0.119 376 H MET 53 H MET 53 10.908 -4.156 1.278 377 HA MET 53 HA MET 53 12.160 -3.590 3.744 378 HB2 MET 53 1HB MET 53 11.916 -1.209 3.060 379 HB3 MET 53 2HB MET 53 12.631 -2.226 1.815 380 HG2 MET 53 1HG MET 53 11.153 -1.280 0.450 381 HG3 MET 53 2HG MET 53 9.979 -2.360 1.199 382 HE1 MET 53 3HE MET 53 10.669 0.615 -0.090 383 HE2 MET 53 1HE MET 53 8.991 1.128 0.091 384 HE3 MET 53 2HE MET 53 10.269 1.970 0.968 385 H GLY 54 H GLY 54 11.428 -2.410 5.539 386 HA2 GLY 54 1HA GLY 54 8.524 -2.613 5.956 387 HA3 GLY 54 2HA GLY 54 9.736 -2.559 7.227 388 H GLY 55 H GLY 55 9.203 -0.804 8.390 389 HA2 GLY 55 1HA GLY 55 9.774 1.775 7.429 390 HA3 GLY 55 2HA GLY 55 8.033 1.540 7.383 391 H LYS 56 H LYS 56 10.688 0.814 9.654 392 HA LYS 56 HA LYS 56 9.325 2.368 11.708 393 HB2 LYS 56 1HB LYS 56 9.513 0.522 13.353 394 HB3 LYS 56 2HB LYS 56 8.392 0.162 12.047 395 HG2 LYS 56 1HG LYS 56 10.032 -1.246 10.973 396 HG3 LYS 56 2HG LYS 56 11.236 -0.818 12.191 397 HD2 LYS 56 1HD LYS 56 10.428 -2.908 12.876 398 HD3 LYS 56 2HD LYS 56 9.572 -1.751 13.898 399 HE2 LYS 56 1HE LYS 56 7.587 -1.957 12.629 400 HE3 LYS 56 2HE LYS 56 8.421 -2.805 11.327 401 HZ1 LYS 56 3HZ LYS 56 7.373 -3.828 13.823 402 HZ2 LYS 56 1HZ LYS 56 8.903 -4.417 13.405 403 HZ3 LYS 56 2HZ LYS 56 7.601 -4.611 12.342 Start of MODEL 7 1 H1 MET 1 H MET 1 2.173 -1.659 1.829 2 HA MET 1 HA MET 1 1.504 -2.068 -0.978 3 HB2 MET 1 1HB MET 1 3.110 0.299 0.000 4 HB3 MET 1 2HB MET 1 2.937 -0.174 -1.685 5 HG2 MET 1 1HG MET 1 1.335 1.424 -1.582 6 HG3 MET 1 2HG MET 1 0.372 0.025 -1.114 7 HE1 MET 1 3HE MET 1 1.676 3.600 1.314 8 HE2 MET 1 1HE MET 1 2.120 3.129 -0.328 9 HE3 MET 1 2HE MET 1 0.497 3.734 0.008 10 H THR 2 H THR 2 3.319 -2.711 -2.276 11 HA THR 2 HA THR 2 5.313 -4.143 -0.706 12 HB THR 2 HB THR 2 4.707 -4.254 -3.667 13 HG1 THR 2 HG1 THR 2 3.880 -5.749 -1.425 14 HG21 THR 2 3HG2 THR 2 6.030 -6.538 -3.141 15 HG22 THR 2 1HG2 THR 2 6.830 -5.459 -2.000 16 HG23 THR 2 2HG2 THR 2 6.821 -5.073 -3.721 17 H ALA 3 H ALA 3 7.522 -3.889 -0.925 18 HA ALA 3 HA ALA 3 8.578 -1.901 -2.757 19 HB1 ALA 3 1HB ALA 3 7.836 -1.034 -0.265 20 HB2 ALA 3 2HB ALA 3 9.553 -1.381 -0.057 21 HB3 ALA 3 3HB ALA 3 9.026 -0.258 -1.310 22 H TYR 4 H TYR 4 10.280 -2.858 -3.637 23 HA TYR 4 HA TYR 4 11.905 -4.663 -1.970 24 HB2 TYR 4 1HB TYR 4 11.291 -4.664 -4.917 25 HB3 TYR 4 2HB TYR 4 12.668 -5.546 -4.266 26 HD1 TYR 4 HD1 TYR 4 12.269 -7.390 -2.616 27 HD2 TYR 4 HD2 TYR 4 9.090 -5.524 -4.741 28 HE1 TYR 4 HE1 TYR 4 10.805 -9.292 -2.083 29 HE2 TYR 4 HE2 TYR 4 7.617 -7.421 -4.214 30 HH TYR 4 HH TYR 4 7.511 -9.215 -2.376 31 H ARG 5 H ARG 5 13.953 -4.136 -1.571 32 HA ARG 5 HA ARG 5 15.344 -2.284 -3.363 33 HB2 ARG 5 1HB ARG 5 14.409 -0.902 -1.571 34 HB3 ARG 5 2HB ARG 5 15.160 -1.940 -0.366 35 HG2 ARG 5 1HG ARG 5 16.761 -0.369 -0.395 36 HG3 ARG 5 2HG ARG 5 17.323 -1.254 -1.814 37 HD2 ARG 5 1HD ARG 5 17.173 0.703 -2.885 38 HD3 ARG 5 2HD ARG 5 15.432 0.426 -2.869 39 HE ARG 5 HE ARG 5 16.217 1.676 -0.469 40 HH11 ARG 5 1HH1 ARG 5 15.825 2.334 -3.865 41 HH12 ARG 5 2HH1 ARG 5 15.500 4.020 -3.634 42 HH21 ARG 5 1HH2 ARG 5 15.790 3.894 -0.151 43 HH22 ARG 5 2HH2 ARG 5 15.481 4.906 -1.521 44 H CYS 6 H CYS 6 16.887 -3.645 -4.070 45 HA CYS 6 HA CYS 6 18.871 -4.545 -2.165 46 HB2 CYS 6 1HB CYS 6 17.083 -6.375 -2.395 47 HB3 CYS 6 2HB CYS 6 17.699 -6.602 -4.027 48 HG CYS 6 HG CYS 6 18.967 -7.615 -1.116 49 HA PRO 7 HA PRO 7 20.700 -3.036 -6.085 50 HB2 PRO 7 1HB PRO 7 22.853 -1.902 -4.881 51 HB3 PRO 7 2HB PRO 7 21.294 -1.083 -5.030 52 HG2 PRO 7 1HG PRO 7 22.449 -2.545 -2.688 53 HG3 PRO 7 2HG PRO 7 21.575 -1.003 -2.723 54 HD2 PRO 7 1HD PRO 7 20.392 -3.331 -2.008 55 HD3 PRO 7 2HD PRO 7 19.515 -2.029 -2.836 56 H VAL 8 H VAL 8 21.580 -5.275 -3.700 57 HA VAL 8 HA VAL 8 24.198 -5.941 -4.582 58 HB VAL 8 HB VAL 8 22.213 -7.672 -3.100 59 HG11 VAL 8 1HG1 VAL 8 23.777 -9.215 -3.679 60 HG12 VAL 8 2HG1 VAL 8 25.052 -8.011 -3.881 61 HG13 VAL 8 3HG1 VAL 8 24.587 -8.544 -2.264 62 HG21 VAL 8 3HG2 VAL 8 23.507 -5.306 -2.284 63 HG22 VAL 8 1HG2 VAL 8 22.586 -6.437 -1.293 64 HG23 VAL 8 2HG2 VAL 8 24.329 -6.639 -1.474 65 H CYS 9 H CYS 9 21.067 -6.605 -5.802 66 HA CYS 9 HA CYS 9 22.183 -8.652 -7.605 67 HB2 CYS 9 1HB CYS 9 19.236 -8.419 -7.204 68 HB3 CYS 9 2HB CYS 9 20.210 -9.840 -7.561 69 HG CYS 9 HG CYS 9 21.168 -8.897 -4.635 70 H ASP 10 H ASP 10 19.687 -6.116 -7.418 71 HA ASP 10 HA ASP 10 20.493 -5.084 -9.992 72 HB2 ASP 10 1HB ASP 10 18.352 -5.346 -11.088 73 HB3 ASP 10 2HB ASP 10 18.931 -6.931 -10.580 74 H TYR 11 H TYR 11 19.315 -3.090 -10.555 75 HA TYR 11 HA TYR 11 19.292 -1.223 -8.564 76 HB2 TYR 11 1HB TYR 11 17.657 -1.279 -11.104 77 HB3 TYR 11 2HB TYR 11 17.802 0.138 -10.070 78 HD1 TYR 11 HD1 TYR 11 20.207 0.989 -9.608 79 HD2 TYR 11 HD2 TYR 11 19.204 -1.634 -12.804 80 HE1 TYR 11 HE1 TYR 11 22.269 1.638 -10.781 81 HE2 TYR 11 HE2 TYR 11 21.264 -0.993 -13.985 82 HH TYR 11 HH TYR 11 23.279 0.039 -13.744 83 H THR 12 H THR 12 17.565 -0.046 -7.511 84 HA THR 12 HA THR 12 15.343 -1.824 -6.766 85 HB THR 12 HB THR 12 15.243 -0.772 -4.652 86 HG1 THR 12 HG1 THR 12 17.007 1.195 -5.728 87 HG21 THR 12 3HG2 THR 12 17.469 -2.108 -5.429 88 HG22 THR 12 1HG2 THR 12 17.165 -1.575 -3.776 89 HG23 THR 12 2HG2 THR 12 18.178 -0.603 -4.843 90 H TYR 13 H TYR 13 13.283 -1.222 -7.094 91 HA TYR 13 HA TYR 13 12.626 1.570 -7.586 92 HB2 TYR 13 1HB TYR 13 12.015 -0.594 -9.611 93 HB3 TYR 13 2HB TYR 13 11.472 1.078 -9.698 94 HD1 TYR 13 HD2 TYR 13 13.410 2.871 -9.617 95 HD2 TYR 13 HD1 TYR 13 13.930 -1.196 -10.757 96 HE1 TYR 13 HE2 TYR 13 15.463 3.478 -10.828 97 HE2 TYR 13 HE1 TYR 13 15.985 -0.599 -11.970 98 HH TYR 13 HH TYR 13 16.890 2.679 -12.549 99 H ASP 14 H ASP 14 11.197 1.749 -5.957 100 HA ASP 14 HA ASP 14 9.396 -0.313 -5.184 101 HB2 ASP 14 1HB ASP 14 10.140 1.355 -3.575 102 HB3 ASP 14 2HB ASP 14 9.410 2.641 -4.531 103 H GLU 15 H GLU 15 7.170 -0.468 -5.477 104 HA GLU 15 HA GLU 15 6.153 0.064 -7.987 105 HB2 GLU 15 1HB GLU 15 5.233 -1.174 -5.657 106 HB3 GLU 15 2HB GLU 15 4.044 0.075 -5.999 107 HG2 GLU 15 1HG GLU 15 4.861 -1.516 -8.322 108 HG3 GLU 15 2HG GLU 15 4.020 -2.413 -7.060 109 H GLY 16 H GLY 16 5.381 1.835 -4.984 110 HA2 GLY 16 1HA GLY 16 3.813 3.827 -6.157 111 HA3 GLY 16 2HA GLY 16 4.687 3.995 -4.642 112 H LYS 17 H LYS 17 7.223 3.385 -6.246 113 HA LYS 17 HA LYS 17 7.916 6.121 -6.719 114 HB2 LYS 17 1HB LYS 17 9.433 4.234 -5.854 115 HB3 LYS 17 2HB LYS 17 9.569 3.741 -7.537 116 HG2 LYS 17 1HG LYS 17 11.438 5.068 -7.210 117 HG3 LYS 17 2HG LYS 17 10.289 6.171 -7.971 118 HD2 LYS 17 1HD LYS 17 9.638 6.867 -5.609 119 HD3 LYS 17 2HD LYS 17 11.085 6.007 -5.075 120 HE2 LYS 17 1HE LYS 17 11.122 8.167 -7.172 121 HE3 LYS 17 2HE LYS 17 11.355 8.486 -5.454 122 HZ1 LYS 17 3HZ LYS 17 13.370 8.036 -7.060 123 HZ2 LYS 17 1HZ LYS 17 13.016 6.423 -6.693 124 HZ3 LYS 17 2HZ LYS 17 13.391 7.510 -5.453 125 H GLY 18 H GLY 18 7.520 3.259 -8.795 126 HA2 GLY 18 1HA GLY 18 6.590 3.310 -10.963 127 HA3 GLY 18 2HA GLY 18 6.888 5.040 -11.026 128 H ASP 19 H ASP 19 9.017 5.789 -11.482 129 HA ASP 19 HA ASP 19 10.993 5.789 -12.608 130 HB2 ASP 19 1HB ASP 19 11.593 4.150 -10.792 131 HB3 ASP 19 2HB ASP 19 11.173 2.855 -11.909 132 HA PRO 20 HA PRO 20 8.813 3.942 -16.268 133 HB2 PRO 20 1HB PRO 20 8.822 6.234 -17.723 134 HB3 PRO 20 2HB PRO 20 7.549 5.838 -16.563 135 HG2 PRO 20 1HG PRO 20 9.923 7.631 -16.232 136 HG3 PRO 20 2HG PRO 20 8.246 7.888 -15.716 137 HD2 PRO 20 1HD PRO 20 10.186 7.076 -14.011 138 HD3 PRO 20 2HD PRO 20 8.491 6.578 -13.835 139 H ARG 21 H ARG 21 11.781 5.566 -15.658 140 HA ARG 21 HA ARG 21 12.957 5.556 -18.197 141 HB2 ARG 21 1HB ARG 21 13.967 5.594 -15.398 142 HB3 ARG 21 2HB ARG 21 15.115 5.201 -16.670 143 HG2 ARG 21 1HG ARG 21 15.383 7.461 -16.562 144 HG3 ARG 21 2HG ARG 21 14.119 7.358 -17.789 145 HD2 ARG 21 1HD ARG 21 12.441 7.653 -15.951 146 HD3 ARG 21 2HD ARG 21 13.788 7.974 -14.859 147 HE ARG 21 HE ARG 21 14.001 10.062 -15.783 148 HH11 ARG 21 1HH1 ARG 21 11.955 8.105 -17.808 149 HH12 ARG 21 2HH1 ARG 21 11.473 9.426 -18.821 150 HH21 ARG 21 1HH2 ARG 21 13.374 11.809 -17.108 151 HH22 ARG 21 2HH2 ARG 21 12.281 11.532 -18.422 152 H GLU 22 H GLU 22 12.395 2.992 -15.920 153 HA GLU 22 HA GLU 22 14.109 1.154 -17.412 154 HB2 GLU 22 1HB GLU 22 12.752 1.068 -14.748 155 HB3 GLU 22 2HB GLU 22 13.189 -0.442 -15.535 156 HG2 GLU 22 1HG GLU 22 15.048 1.793 -14.761 157 HG3 GLU 22 2HG GLU 22 14.923 0.205 -14.006 158 H GLY 23 H GLY 23 11.563 2.281 -18.467 159 HA2 GLY 23 1HA GLY 23 9.879 1.509 -19.829 160 HA3 GLY 23 2HA GLY 23 10.564 -0.099 -19.652 161 H PHE 24 H PHE 24 9.764 1.541 -16.749 162 HA PHE 24 HA PHE 24 7.177 0.161 -16.591 163 HB2 PHE 24 1HB PHE 24 9.287 0.112 -14.423 164 HB3 PHE 24 2HB PHE 24 7.685 -0.612 -14.325 165 HD1 PHE 24 HD2 PHE 24 7.333 -2.009 -16.787 166 HD2 PHE 24 HD1 PHE 24 10.871 -1.545 -14.467 167 HE1 PHE 24 HE2 PHE 24 8.221 -4.102 -17.728 168 HE2 PHE 24 HE1 PHE 24 11.765 -3.636 -15.405 169 HZ PHE 24 HZ PHE 24 10.439 -4.918 -17.037 170 HA PRO 25 HA PRO 25 6.713 4.544 -15.288 171 HB2 PRO 25 1HB PRO 25 4.233 4.816 -16.359 172 HB3 PRO 25 2HB PRO 25 5.715 5.034 -17.299 173 HG2 PRO 25 1HG PRO 25 3.910 2.651 -17.132 174 HG3 PRO 25 2HG PRO 25 4.676 3.377 -18.557 175 HD2 PRO 25 1HD PRO 25 5.655 1.162 -17.346 176 HD3 PRO 25 2HD PRO 25 6.699 2.353 -18.147 177 H ALA 26 H ALA 26 4.657 5.537 -14.204 178 HA ALA 26 HA ALA 26 4.200 4.272 -11.795 179 HB1 ALA 26 1HB ALA 26 3.773 6.637 -12.132 180 HB2 ALA 26 2HB ALA 26 2.416 6.260 -13.195 181 HB3 ALA 26 3HB ALA 26 2.338 5.841 -11.484 182 H GLY 27 H GLY 27 2.952 2.643 -11.127 183 HA2 GLY 27 1HA GLY 27 0.746 1.587 -11.136 184 HA3 GLY 27 2HA GLY 27 0.736 1.786 -12.882 185 H THR 28 H THR 28 3.398 0.923 -13.373 186 HA THR 28 HA THR 28 3.040 -1.797 -13.747 187 HB THR 28 HB THR 28 5.657 -0.302 -13.498 188 HG1 THR 28 HG1 THR 28 4.447 -1.106 -15.916 189 HG21 THR 28 3HG2 THR 28 6.003 -2.402 -15.261 190 HG22 THR 28 1HG2 THR 28 5.050 -3.112 -13.958 191 HG23 THR 28 2HG2 THR 28 6.592 -2.334 -13.600 192 H ARG 29 H ARG 29 2.673 -3.241 -12.189 193 HA ARG 29 HA ARG 29 3.755 -2.970 -9.547 194 HB2 ARG 29 1HB ARG 29 2.347 -5.352 -10.763 195 HB3 ARG 29 2HB ARG 29 2.572 -5.023 -9.050 196 HG2 ARG 29 1HG ARG 29 1.251 -2.850 -9.549 197 HG3 ARG 29 2HG ARG 29 0.732 -3.711 -11.000 198 HD2 ARG 29 1HD ARG 29 0.121 -5.623 -9.395 199 HD3 ARG 29 2HD ARG 29 0.255 -4.411 -8.122 200 HE ARG 29 HE ARG 29 -1.759 -3.573 -8.784 201 HH11 ARG 29 1HH1 ARG 29 -0.427 -5.459 -11.390 202 HH12 ARG 29 2HH1 ARG 29 -1.840 -5.323 -12.384 203 HH21 ARG 29 1HH2 ARG 29 -3.625 -3.387 -10.083 204 HH22 ARG 29 2HH2 ARG 29 -3.658 -4.144 -11.640 205 H TRP 30 H TRP 30 5.261 -4.301 -8.522 206 HA TRP 30 HA TRP 30 7.539 -4.983 -9.927 207 HB2 TRP 30 1HB TRP 30 8.122 -6.372 -7.895 208 HB3 TRP 30 2HB TRP 30 7.684 -4.698 -7.564 209 HD1 TRP 30 HD1 TRP 30 5.432 -4.257 -6.220 210 HE1 TRP 30 HE1 TRP 30 3.922 -5.795 -4.812 211 HE3 TRP 30 HE3 TRP 30 7.229 -8.788 -7.760 212 HZ2 TRP 30 HZ2 TRP 30 3.544 -8.563 -4.408 213 HZ3 TRP 30 HZ3 TRP 30 6.240 -10.833 -6.814 214 HH2 TRP 30 HH2 TRP 30 4.436 -10.720 -5.172 215 H ASP 31 H ASP 31 4.782 -7.011 -9.059 216 HA ASP 31 HA ASP 31 5.803 -9.492 -9.812 217 HB2 ASP 31 1HB ASP 31 3.655 -9.122 -8.600 218 HB3 ASP 31 2HB ASP 31 2.940 -8.562 -10.110 219 H GLN 32 H GLN 32 4.595 -6.855 -11.741 220 HA GLN 32 HA GLN 32 4.122 -8.250 -14.140 221 HB2 GLN 32 1HB GLN 32 3.549 -5.797 -13.444 222 HB3 GLN 32 2HB GLN 32 5.130 -5.428 -14.121 223 HG2 GLN 32 1HG GLN 32 3.435 -5.050 -15.777 224 HG3 GLN 32 2HG GLN 32 4.425 -6.429 -16.253 225 HE21 GLN 32 2HE2 GLN 32 1.548 -5.857 -14.247 226 HE22 GLN 32 1HE2 GLN 32 0.615 -7.145 -14.921 227 H ILE 33 H ILE 33 7.036 -6.976 -12.686 228 HA ILE 33 HA ILE 33 8.765 -6.895 -14.835 229 HB ILE 33 HB ILE 33 9.431 -7.878 -12.057 230 HG12 ILE 33 1HG1 ILE 33 9.488 -5.086 -13.224 231 HG13 ILE 33 2HG1 ILE 33 8.336 -5.680 -12.033 232 HG21 ILE 33 1HG2 ILE 33 11.701 -7.206 -12.549 233 HG22 ILE 33 2HG2 ILE 33 11.149 -8.367 -13.756 234 HG23 ILE 33 3HG2 ILE 33 11.218 -6.650 -14.151 235 HD11 ILE 33 3HD1 ILE 33 10.230 -6.057 -10.478 236 HD12 ILE 33 1HD1 ILE 33 11.294 -5.296 -11.660 237 HD13 ILE 33 2HD1 ILE 33 9.989 -4.367 -10.921 238 HA PRO 34 HA PRO 34 8.933 -11.082 -16.250 239 HB2 PRO 34 1HB PRO 34 11.112 -10.820 -17.849 240 HB3 PRO 34 2HB PRO 34 9.517 -10.197 -18.289 241 HG2 PRO 34 1HG PRO 34 11.865 -8.745 -17.132 242 HG3 PRO 34 2HG PRO 34 10.770 -8.243 -18.433 243 HD2 PRO 34 1HD PRO 34 10.534 -7.326 -15.896 244 HD3 PRO 34 2HD PRO 34 9.133 -7.558 -16.962 245 H ASP 35 H ASP 35 9.645 -12.727 -15.060 246 HA ASP 35 HA ASP 35 11.877 -12.551 -13.320 247 HB2 ASP 35 1HB ASP 35 11.489 -15.031 -13.030 248 HB3 ASP 35 2HB ASP 35 10.093 -14.009 -12.699 249 H ASP 36 H ASP 36 11.629 -13.188 -16.632 250 HA ASP 36 HA ASP 36 13.913 -14.923 -16.853 251 HB2 ASP 36 1HB ASP 36 11.922 -14.741 -18.480 252 HB3 ASP 36 2HB ASP 36 12.736 -13.310 -19.106 253 H TRP 37 H TRP 37 13.418 -11.566 -16.532 254 HA TRP 37 HA TRP 37 15.465 -10.421 -17.983 255 HB2 TRP 37 1HB TRP 37 13.659 -9.471 -16.218 256 HB3 TRP 37 2HB TRP 37 15.112 -9.397 -15.224 257 HD1 TRP 37 HD1 TRP 37 16.641 -7.351 -15.568 258 HE1 TRP 37 HE1 TRP 37 16.733 -5.406 -17.252 259 HE3 TRP 37 HE3 TRP 37 13.100 -8.976 -18.879 260 HZ2 TRP 37 HZ2 TRP 37 15.471 -4.660 -19.664 261 HZ3 TRP 37 HZ3 TRP 37 12.602 -7.588 -20.848 262 HH2 TRP 37 HH2 TRP 37 13.763 -5.475 -21.231 263 H CYS 38 H CYS 38 17.628 -10.377 -17.869 264 HA CYS 38 HA CYS 38 18.896 -11.840 -15.656 265 HB2 CYS 38 1HB CYS 38 20.086 -11.194 -18.358 266 HB3 CYS 38 2HB CYS 38 20.738 -12.289 -17.145 267 HG CYS 38 HG CYS 38 17.771 -12.831 -18.759 268 H CYS 39 H CYS 39 20.518 -10.937 -14.463 269 HA CYS 39 HA CYS 39 21.270 -8.164 -15.095 270 HB2 CYS 39 1HB CYS 39 19.944 -9.214 -12.705 271 HB3 CYS 39 2HB CYS 39 21.389 -8.277 -12.342 272 HG CYS 39 HG CYS 39 18.908 -7.058 -14.347 273 HA PRO 40 HA PRO 40 25.453 -9.287 -14.413 274 HB2 PRO 40 1HB PRO 40 26.454 -7.126 -13.109 275 HB3 PRO 40 2HB PRO 40 26.017 -7.097 -14.822 276 HG2 PRO 40 1HG PRO 40 24.467 -6.118 -12.456 277 HG3 PRO 40 2HG PRO 40 24.697 -5.351 -14.038 278 HD2 PRO 40 1HD PRO 40 22.442 -6.702 -13.387 279 HD3 PRO 40 2HD PRO 40 23.080 -6.651 -15.043 280 H ASP 41 H ASP 41 24.129 -7.742 -11.479 281 HA ASP 41 HA ASP 41 25.838 -9.329 -9.773 282 HB2 ASP 41 1HB ASP 41 23.554 -7.713 -8.714 283 HB3 ASP 41 2HB ASP 41 25.161 -7.959 -8.034 284 H CYS 42 H CYS 42 22.323 -9.007 -10.260 285 HA CYS 42 HA CYS 42 21.500 -11.010 -8.526 286 HB2 CYS 42 1HB CYS 42 20.055 -9.333 -9.773 287 HB3 CYS 42 2HB CYS 42 20.164 -10.405 -11.164 288 HG CYS 42 HG CYS 42 17.804 -10.458 -9.185 289 H SER 43 H SER 43 23.067 -11.254 -11.579 290 HA SER 43 HA SER 43 22.251 -13.691 -12.560 291 HB2 SER 43 1HB SER 43 23.764 -12.779 -14.001 292 HB3 SER 43 2HB SER 43 24.755 -12.113 -12.704 293 HG SER 43 HG SER 43 25.912 -13.885 -12.667 294 H VAL 44 H VAL 44 24.307 -13.016 -9.816 295 HA VAL 44 HA VAL 44 24.547 -15.914 -9.328 296 HB VAL 44 HB VAL 44 26.527 -15.277 -7.876 297 HG11 VAL 44 1HG1 VAL 44 26.340 -15.429 -10.779 298 HG12 VAL 44 2HG1 VAL 44 27.798 -14.607 -10.219 299 HG13 VAL 44 3HG1 VAL 44 27.442 -16.245 -9.670 300 HG21 VAL 44 3HG2 VAL 44 25.711 -12.749 -8.146 301 HG22 VAL 44 1HG2 VAL 44 27.395 -13.180 -7.849 302 HG23 VAL 44 2HG2 VAL 44 26.854 -12.813 -9.487 303 H ARG 45 H ARG 45 22.457 -13.864 -8.541 304 HA ARG 45 HA ARG 45 22.365 -14.623 -5.720 305 HB2 ARG 45 1HB ARG 45 22.546 -11.864 -6.777 306 HB3 ARG 45 2HB ARG 45 21.346 -12.131 -5.520 307 HG2 ARG 45 1HG ARG 45 23.122 -11.592 -4.219 308 HG3 ARG 45 2HG ARG 45 23.386 -13.333 -4.339 309 HD2 ARG 45 1HD ARG 45 25.196 -13.103 -5.698 310 HD3 ARG 45 2HD ARG 45 24.579 -11.634 -6.451 311 HE ARG 45 HE ARG 45 25.354 -11.315 -3.695 312 HH11 ARG 45 1HH1 ARG 45 26.405 -11.229 -7.013 313 HH12 ARG 45 2HH1 ARG 45 27.750 -10.184 -6.696 314 HH21 ARG 45 1HH2 ARG 45 27.121 -9.938 -3.266 315 HH22 ARG 45 2HH2 ARG 45 28.156 -9.451 -4.564 316 H GLU 46 H GLU 46 20.485 -15.577 -5.344 317 HA GLU 46 HA GLU 46 18.397 -15.783 -7.156 318 HB2 GLU 46 1HB GLU 46 18.719 -16.342 -4.255 319 HB3 GLU 46 2HB GLU 46 17.077 -16.272 -4.878 320 HG2 GLU 46 1HG GLU 46 17.358 -18.120 -6.218 321 HG3 GLU 46 2HG GLU 46 19.109 -17.934 -6.288 322 H LYS 47 H LYS 47 16.468 -14.743 -7.463 323 HA LYS 47 HA LYS 47 16.333 -11.993 -6.954 324 HB2 LYS 47 1HB LYS 47 15.036 -13.634 -8.634 325 HB3 LYS 47 2HB LYS 47 13.791 -13.461 -7.404 326 HG2 LYS 47 1HG LYS 47 13.361 -11.321 -7.948 327 HG3 LYS 47 2HG LYS 47 15.053 -10.956 -8.296 328 HD2 LYS 47 1HD LYS 47 14.847 -11.478 -10.483 329 HD3 LYS 47 2HD LYS 47 13.756 -12.828 -10.163 330 HE2 LYS 47 1HE LYS 47 12.999 -9.908 -10.090 331 HE3 LYS 47 2HE LYS 47 12.663 -11.017 -11.419 332 HZ1 LYS 47 3HZ LYS 47 10.732 -11.287 -10.337 333 HZ2 LYS 47 1HZ LYS 47 11.345 -10.751 -8.854 334 HZ3 LYS 47 2HZ LYS 47 11.613 -12.344 -9.355 335 H VAL 48 H VAL 48 15.248 -14.727 -5.105 336 HA VAL 48 HA VAL 48 13.453 -13.287 -3.410 337 HB VAL 48 HB VAL 48 13.334 -15.752 -3.761 338 HG11 VAL 48 1HG1 VAL 48 15.055 -17.103 -3.364 339 HG12 VAL 48 2HG1 VAL 48 16.040 -15.663 -3.095 340 HG13 VAL 48 3HG1 VAL 48 15.256 -16.464 -1.733 341 HG21 VAL 48 3HG2 VAL 48 13.725 -15.431 -0.841 342 HG22 VAL 48 1HG2 VAL 48 12.586 -14.340 -1.630 343 HG23 VAL 48 2HG2 VAL 48 12.353 -16.085 -1.737 344 H ASP 49 H ASP 49 16.799 -13.358 -3.653 345 HA ASP 49 HA ASP 49 17.609 -13.245 -0.963 346 HB2 ASP 49 1HB ASP 49 18.857 -12.038 -3.439 347 HB3 ASP 49 2HB ASP 49 19.644 -12.102 -1.864 348 H PHE 50 H PHE 50 15.957 -10.983 -2.932 349 HA PHE 50 HA PHE 50 16.735 -8.534 -1.916 350 HB2 PHE 50 1HB PHE 50 14.246 -9.605 -3.126 351 HB3 PHE 50 2HB PHE 50 14.105 -8.082 -2.254 352 HD1 PHE 50 HD1 PHE 50 16.344 -9.695 -4.767 353 HD2 PHE 50 HD2 PHE 50 14.387 -6.151 -3.452 354 HE1 PHE 50 HE1 PHE 50 17.201 -8.494 -6.737 355 HE2 PHE 50 HE2 PHE 50 15.241 -4.945 -5.420 356 HZ PHE 50 HZ PHE 50 16.649 -6.117 -7.066 357 H GLU 51 H GLU 51 15.281 -7.114 -0.487 358 HA GLU 51 HA GLU 51 14.227 -8.606 1.805 359 HB2 GLU 51 1HB GLU 51 16.140 -6.284 2.088 360 HB3 GLU 51 2HB GLU 51 15.436 -7.233 3.389 361 HG2 GLU 51 1HG GLU 51 16.618 -9.217 2.124 362 HG3 GLU 51 2HG GLU 51 17.640 -7.912 1.522 363 H ARG 52 H ARG 52 12.163 -7.992 1.845 364 HA ARG 52 HA ARG 52 11.137 -5.603 0.807 365 HB2 ARG 52 1HB ARG 52 9.054 -6.223 1.794 366 HB3 ARG 52 2HB ARG 52 9.845 -7.706 1.278 367 HG2 ARG 52 1HG ARG 52 10.619 -8.040 3.614 368 HG3 ARG 52 2HG ARG 52 9.666 -6.631 4.082 369 HD2 ARG 52 1HD ARG 52 7.635 -7.725 3.324 370 HD3 ARG 52 2HD ARG 52 8.568 -9.113 2.768 371 HE ARG 52 HE ARG 52 8.895 -8.512 5.566 372 HH11 ARG 52 1HH1 ARG 52 7.030 -10.239 3.188 373 HH12 ARG 52 2HH1 ARG 52 6.447 -11.421 4.313 374 HH21 ARG 52 1HH2 ARG 52 8.134 -10.061 7.057 375 HH22 ARG 52 2HH2 ARG 52 7.075 -11.318 6.514 376 H MET 53 H MET 53 10.832 -3.610 1.623 377 HA MET 53 HA MET 53 11.953 -3.061 4.266 378 HB2 MET 53 1HB MET 53 11.143 -1.178 2.043 379 HB3 MET 53 2HB MET 53 11.900 -0.696 3.556 380 HG2 MET 53 1HG MET 53 13.228 -2.678 1.757 381 HG3 MET 53 2HG MET 53 13.347 -0.950 1.438 382 HE1 MET 53 3HE MET 53 15.737 -0.406 1.719 383 HE2 MET 53 1HE MET 53 14.851 0.702 2.767 384 HE3 MET 53 2HE MET 53 16.349 -0.035 3.331 385 H GLY 54 H GLY 54 10.781 -2.349 5.964 386 HA2 GLY 54 1HA GLY 54 8.966 -1.377 7.081 387 HA3 GLY 54 2HA GLY 54 8.076 -1.352 5.566 388 H GLY 55 H GLY 55 7.870 -2.548 8.513 389 HA2 GLY 55 1HA GLY 55 6.310 -4.848 7.611 390 HA3 GLY 55 2HA GLY 55 7.616 -5.168 8.743 391 H LYS 56 H LYS 56 4.444 -3.839 8.319 392 HA LYS 56 HA LYS 56 4.280 -3.057 11.130 393 HB2 LYS 56 1HB LYS 56 2.623 -2.549 8.697 394 HB3 LYS 56 2HB LYS 56 1.849 -2.461 10.275 395 HG2 LYS 56 1HG LYS 56 3.337 -0.725 10.980 396 HG3 LYS 56 2HG LYS 56 4.308 -0.900 9.516 397 HD2 LYS 56 1HD LYS 56 3.023 0.898 8.924 398 HD3 LYS 56 2HD LYS 56 1.994 -0.412 8.341 399 HE2 LYS 56 1HE LYS 56 0.538 0.995 9.512 400 HE3 LYS 56 2HE LYS 56 0.880 -0.317 10.640 401 HZ1 LYS 56 3HZ LYS 56 2.529 1.102 11.713 402 HZ2 LYS 56 1HZ LYS 56 0.996 1.817 11.742 403 HZ3 LYS 56 2HZ LYS 56 2.163 2.362 10.646 Start of MODEL 8 1 H1 MET 1 H MET 1 1.460 0.304 1.784 2 HA MET 1 HA MET 1 1.280 -1.160 -0.587 3 HB2 MET 1 1HB MET 1 3.168 1.121 0.025 4 HB3 MET 1 2HB MET 1 2.689 0.574 -1.576 5 HG2 MET 1 1HG MET 1 0.446 1.297 -1.235 6 HG3 MET 1 2HG MET 1 0.755 1.630 0.467 7 HE1 MET 1 3HE MET 1 0.679 3.649 1.210 8 HE2 MET 1 1HE MET 1 1.271 5.165 0.528 9 HE3 MET 1 2HE MET 1 -0.243 4.469 -0.050 10 H THR 2 H THR 2 3.034 -1.914 -1.976 11 HA THR 2 HA THR 2 4.972 -3.446 -0.429 12 HB THR 2 HB THR 2 4.242 -3.581 -3.361 13 HG1 THR 2 HG1 THR 2 3.569 -5.154 -1.089 14 HG21 THR 2 3HG2 THR 2 6.428 -4.373 -3.328 15 HG22 THR 2 1HG2 THR 2 5.486 -5.845 -3.090 16 HG23 THR 2 2HG2 THR 2 6.261 -5.061 -1.713 17 H ALA 3 H ALA 3 7.183 -3.335 -0.699 18 HA ALA 3 HA ALA 3 8.329 -1.496 -2.625 19 HB1 ALA 3 1HB ALA 3 7.663 -0.428 -0.216 20 HB2 ALA 3 2HB ALA 3 9.328 -0.931 0.073 21 HB3 ALA 3 3HB ALA 3 8.957 0.167 -1.257 22 H TYR 4 H TYR 4 9.939 -2.620 -3.482 23 HA TYR 4 HA TYR 4 11.492 -4.417 -1.740 24 HB2 TYR 4 1HB TYR 4 10.750 -4.577 -4.647 25 HB3 TYR 4 2HB TYR 4 12.145 -5.454 -4.028 26 HD1 TYR 4 HD1 TYR 4 11.848 -7.292 -2.430 27 HD2 TYR 4 HD2 TYR 4 8.506 -5.263 -4.107 28 HE1 TYR 4 HE1 TYR 4 10.378 -9.122 -1.697 29 HE2 TYR 4 HE2 TYR 4 7.026 -7.087 -3.378 30 HH TYR 4 HH TYR 4 6.971 -9.210 -2.591 31 H ARG 5 H ARG 5 13.444 -3.702 -1.236 32 HA ARG 5 HA ARG 5 14.920 -2.105 -3.223 33 HB2 ARG 5 1HB ARG 5 14.019 -0.797 -1.232 34 HB3 ARG 5 2HB ARG 5 15.146 -1.715 -0.242 35 HG2 ARG 5 1HG ARG 5 16.596 -0.671 -2.436 36 HG3 ARG 5 2HG ARG 5 15.616 0.634 -1.763 37 HD2 ARG 5 1HD ARG 5 17.379 -1.168 -0.114 38 HD3 ARG 5 2HD ARG 5 17.894 0.393 -0.750 39 HE ARG 5 HE ARG 5 15.504 0.732 0.682 40 HH11 ARG 5 1HH1 ARG 5 18.861 -0.021 1.210 41 HH12 ARG 5 2HH1 ARG 5 18.895 0.650 2.807 42 HH21 ARG 5 1HH2 ARG 5 15.536 1.620 2.783 43 HH22 ARG 5 2HH2 ARG 5 17.003 1.583 3.701 44 H CYS 6 H CYS 6 16.415 -3.483 -3.968 45 HA CYS 6 HA CYS 6 18.382 -4.515 -2.110 46 HB2 CYS 6 1HB CYS 6 16.387 -6.228 -3.441 47 HB3 CYS 6 2HB CYS 6 18.052 -6.772 -3.608 48 HG CYS 6 HG CYS 6 17.670 -5.988 -0.486 49 HA PRO 7 HA PRO 7 20.238 -2.978 -6.005 50 HB2 PRO 7 1HB PRO 7 22.456 -1.984 -4.795 51 HB3 PRO 7 2HB PRO 7 20.935 -1.088 -4.900 52 HG2 PRO 7 1HG PRO 7 22.046 -2.674 -2.617 53 HG3 PRO 7 2HG PRO 7 21.245 -1.092 -2.595 54 HD2 PRO 7 1HD PRO 7 19.962 -3.384 -1.936 55 HD3 PRO 7 2HD PRO 7 19.137 -2.017 -2.713 56 H VAL 8 H VAL 8 21.035 -5.330 -3.702 57 HA VAL 8 HA VAL 8 23.615 -6.093 -4.562 58 HB VAL 8 HB VAL 8 22.623 -6.828 -2.420 59 HG11 VAL 8 1HG1 VAL 8 21.096 -8.959 -3.832 60 HG12 VAL 8 2HG1 VAL 8 20.837 -8.252 -2.236 61 HG13 VAL 8 3HG1 VAL 8 20.377 -7.356 -3.684 62 HG21 VAL 8 3HG2 VAL 8 23.218 -9.320 -3.955 63 HG22 VAL 8 1HG2 VAL 8 24.459 -8.077 -3.793 64 HG23 VAL 8 2HG2 VAL 8 23.770 -8.828 -2.354 65 H CYS 9 H CYS 9 20.508 -6.506 -5.950 66 HA CYS 9 HA CYS 9 21.616 -8.436 -7.882 67 HB2 CYS 9 1HB CYS 9 19.020 -8.851 -8.246 68 HB3 CYS 9 2HB CYS 9 19.917 -9.690 -6.985 69 HG CYS 9 HG CYS 9 18.435 -8.908 -5.049 70 H ASP 10 H ASP 10 19.119 -5.911 -7.557 71 HA ASP 10 HA ASP 10 20.026 -4.668 -10.008 72 HB2 ASP 10 1HB ASP 10 18.454 -6.412 -10.804 73 HB3 ASP 10 2HB ASP 10 17.192 -5.706 -9.799 74 H TYR 11 H TYR 11 18.918 -2.605 -10.421 75 HA TYR 11 HA TYR 11 18.867 -0.925 -8.264 76 HB2 TYR 11 1HB TYR 11 17.240 -0.639 -10.799 77 HB3 TYR 11 2HB TYR 11 17.616 0.663 -9.676 78 HD1 TYR 11 HD2 TYR 11 20.062 1.282 -9.339 79 HD2 TYR 11 HD1 TYR 11 18.728 -1.205 -12.524 80 HE1 TYR 11 HE2 TYR 11 22.147 1.738 -10.561 81 HE2 TYR 11 HE1 TYR 11 20.810 -0.757 -13.754 82 HH TYR 11 HH TYR 11 22.593 0.769 -13.861 83 H THR 12 H THR 12 17.127 0.204 -7.183 84 HA THR 12 HA THR 12 14.822 -1.563 -6.705 85 HB THR 12 HB THR 12 16.021 -1.286 -4.677 86 HG1 THR 12 HG1 THR 12 14.026 0.707 -4.425 87 HG21 THR 12 3HG2 THR 12 16.494 1.396 -5.709 88 HG22 THR 12 1HG2 THR 12 17.433 0.449 -4.556 89 HG23 THR 12 2HG2 THR 12 16.048 1.391 -4.003 90 H TYR 13 H TYR 13 12.783 -0.846 -6.989 91 HA TYR 13 HA TYR 13 12.256 1.999 -7.293 92 HB2 TYR 13 1HB TYR 13 10.945 1.447 -9.443 93 HB3 TYR 13 2HB TYR 13 12.696 1.582 -9.558 94 HD1 TYR 13 HD2 TYR 13 14.082 -0.461 -9.774 95 HD2 TYR 13 HD1 TYR 13 9.831 -0.623 -9.872 96 HE1 TYR 13 HE2 TYR 13 14.196 -2.712 -10.759 97 HE2 TYR 13 HE1 TYR 13 9.934 -2.875 -10.856 98 HH TYR 13 HH TYR 13 12.347 -4.120 -12.351 99 H ASP 14 H ASP 14 10.702 2.250 -5.826 100 HA ASP 14 HA ASP 14 8.868 0.201 -5.095 101 HB2 ASP 14 1HB ASP 14 9.534 1.897 -3.484 102 HB3 ASP 14 2HB ASP 14 8.857 3.167 -4.499 103 H GLU 15 H GLU 15 6.633 0.084 -5.446 104 HA GLU 15 HA GLU 15 5.727 0.513 -8.015 105 HB2 GLU 15 1HB GLU 15 4.267 0.145 -5.412 106 HB3 GLU 15 2HB GLU 15 3.391 0.362 -6.921 107 HG2 GLU 15 1HG GLU 15 5.302 -1.851 -6.225 108 HG3 GLU 15 2HG GLU 15 3.561 -1.973 -6.468 109 H GLY 16 H GLY 16 4.895 2.457 -5.137 110 HA2 GLY 16 1HA GLY 16 3.426 4.422 -6.483 111 HA3 GLY 16 2HA GLY 16 4.226 4.642 -4.934 112 H LYS 17 H LYS 17 6.814 3.881 -6.411 113 HA LYS 17 HA LYS 17 7.552 6.598 -7.032 114 HB2 LYS 17 1HB LYS 17 8.934 4.625 -5.898 115 HB3 LYS 17 2HB LYS 17 9.398 4.321 -7.567 116 HG2 LYS 17 1HG LYS 17 11.034 5.784 -7.154 117 HG3 LYS 17 2HG LYS 17 9.781 7.005 -7.387 118 HD2 LYS 17 1HD LYS 17 10.641 7.655 -5.359 119 HD3 LYS 17 2HD LYS 17 9.339 6.584 -4.833 120 HE2 LYS 17 1HE LYS 17 11.262 6.013 -3.562 121 HE3 LYS 17 2HE LYS 17 11.036 4.733 -4.752 122 HZ1 LYS 17 3HZ LYS 17 12.973 5.201 -5.725 123 HZ2 LYS 17 1HZ LYS 17 13.346 6.055 -4.312 124 HZ3 LYS 17 2HZ LYS 17 12.732 6.874 -5.658 125 H GLY 18 H GLY 18 7.392 3.519 -8.809 126 HA2 GLY 18 1HA GLY 18 6.736 3.270 -11.048 127 HA3 GLY 18 2HA GLY 18 6.896 5.006 -11.266 128 H ASP 19 H ASP 19 9.007 5.899 -11.572 129 HA ASP 19 HA ASP 19 11.082 5.970 -12.501 130 HB2 ASP 19 1HB ASP 19 11.480 4.390 -10.483 131 HB3 ASP 19 2HB ASP 19 11.527 3.109 -11.692 132 HA PRO 20 HA PRO 20 9.414 3.675 -16.178 133 HB2 PRO 20 1HB PRO 20 9.390 5.843 -17.813 134 HB3 PRO 20 2HB PRO 20 8.044 5.431 -16.745 135 HG2 PRO 20 1HG PRO 20 10.231 7.436 -16.349 136 HG3 PRO 20 2HG PRO 20 8.496 7.591 -16.012 137 HD2 PRO 20 1HD PRO 20 10.317 7.075 -14.075 138 HD3 PRO 20 2HD PRO 20 8.655 6.452 -14.014 139 H ARG 21 H ARG 21 12.135 5.732 -15.539 140 HA ARG 21 HA ARG 21 13.539 5.489 -17.948 141 HB2 ARG 21 1HB ARG 21 14.400 5.944 -15.105 142 HB3 ARG 21 2HB ARG 21 15.585 5.794 -16.395 143 HG2 ARG 21 1HG ARG 21 15.018 7.789 -17.342 144 HG3 ARG 21 2HG ARG 21 13.352 7.716 -16.762 145 HD2 ARG 21 1HD ARG 21 14.387 7.983 -14.419 146 HD3 ARG 21 2HD ARG 21 15.835 8.508 -15.277 147 HE ARG 21 HE ARG 21 13.721 9.989 -16.288 148 HH11 ARG 21 1HH1 ARG 21 15.333 9.543 -13.234 149 HH12 ARG 21 2HH1 ARG 21 14.996 11.148 -12.674 150 HH21 ARG 21 1HH2 ARG 21 13.272 12.104 -15.562 151 HH22 ARG 21 2HH2 ARG 21 13.823 12.603 -13.999 152 H GLU 22 H GLU 22 12.991 3.226 -15.398 153 HA GLU 22 HA GLU 22 15.108 1.449 -16.349 154 HB2 GLU 22 1HB GLU 22 13.222 1.215 -13.998 155 HB3 GLU 22 2HB GLU 22 14.463 0.039 -14.404 156 HG2 GLU 22 1HG GLU 22 14.815 2.860 -13.453 157 HG3 GLU 22 2HG GLU 22 15.363 1.367 -12.692 158 H GLY 23 H GLY 23 12.640 2.076 -17.896 159 HA2 GLY 23 1HA GLY 23 11.278 0.914 -19.338 160 HA3 GLY 23 2HA GLY 23 12.113 -0.549 -18.838 161 H PHE 24 H PHE 24 10.730 1.291 -16.311 162 HA PHE 24 HA PHE 24 8.277 -0.313 -16.332 163 HB2 PHE 24 1HB PHE 24 10.080 -0.040 -13.918 164 HB3 PHE 24 2HB PHE 24 8.550 -0.909 -13.983 165 HD1 PHE 24 HD1 PHE 24 8.540 -2.622 -16.137 166 HD2 PHE 24 HD2 PHE 24 11.920 -1.389 -13.862 167 HE1 PHE 24 HE1 PHE 24 9.731 -4.669 -16.802 168 HE2 PHE 24 HE2 PHE 24 13.116 -3.434 -14.524 169 HZ PHE 24 HZ PHE 24 12.022 -5.077 -15.997 170 HA PRO 25 HA PRO 25 7.343 4.096 -15.431 171 HB2 PRO 25 1HB PRO 25 5.002 4.096 -16.806 172 HB3 PRO 25 2HB PRO 25 6.569 4.368 -17.577 173 HG2 PRO 25 1HG PRO 25 4.932 1.865 -17.445 174 HG3 PRO 25 2HG PRO 25 5.815 2.553 -18.820 175 HD2 PRO 25 1HD PRO 25 6.792 0.509 -17.337 176 HD3 PRO 25 2HD PRO 25 7.840 1.725 -18.096 177 H ALA 26 H ALA 26 5.159 5.007 -14.622 178 HA ALA 26 HA ALA 26 4.479 3.832 -12.222 179 HB1 ALA 26 1HB ALA 26 3.226 5.898 -13.943 180 HB2 ALA 26 2HB ALA 26 2.261 5.229 -12.627 181 HB3 ALA 26 3HB ALA 26 3.807 6.005 -12.281 182 H GLY 27 H GLY 27 3.309 2.116 -11.657 183 HA2 GLY 27 1HA GLY 27 1.157 0.953 -11.840 184 HA3 GLY 27 2HA GLY 27 1.313 1.101 -13.584 185 H THR 28 H THR 28 4.142 0.411 -13.603 186 HA THR 28 HA THR 28 4.008 -2.304 -14.082 187 HB THR 28 HB THR 28 6.524 -0.942 -13.124 188 HG1 THR 28 HG1 THR 28 5.040 -0.592 -15.472 189 HG21 THR 28 3HG2 THR 28 7.623 -2.714 -13.952 190 HG22 THR 28 1HG2 THR 28 6.628 -2.762 -15.407 191 HG23 THR 28 2HG2 THR 28 6.061 -3.531 -13.924 192 H ARG 29 H ARG 29 3.379 -3.809 -12.672 193 HA ARG 29 HA ARG 29 3.784 -3.585 -9.856 194 HB2 ARG 29 1HB ARG 29 2.784 -5.817 -11.620 195 HB3 ARG 29 2HB ARG 29 2.930 -5.984 -9.875 196 HG2 ARG 29 1HG ARG 29 1.502 -3.763 -9.898 197 HG3 ARG 29 2HG ARG 29 1.015 -4.383 -11.477 198 HD2 ARG 29 1HD ARG 29 0.159 -6.377 -10.533 199 HD3 ARG 29 2HD ARG 29 0.923 -6.052 -8.978 200 HE ARG 29 HE ARG 29 -0.892 -3.985 -9.630 201 HH11 ARG 29 1HH1 ARG 29 -0.787 -7.300 -8.571 202 HH12 ARG 29 2HH1 ARG 29 -2.307 -7.220 -7.743 203 HH21 ARG 29 1HH2 ARG 29 -2.894 -3.867 -8.543 204 HH22 ARG 29 2HH2 ARG 29 -3.505 -5.267 -7.728 205 H TRP 30 H TRP 30 5.314 -4.465 -8.573 206 HA TRP 30 HA TRP 30 7.825 -5.104 -9.556 207 HB2 TRP 30 1HB TRP 30 8.196 -6.122 -7.245 208 HB3 TRP 30 2HB TRP 30 7.677 -4.439 -7.290 209 HD1 TRP 30 HD1 TRP 30 5.338 -3.850 -6.233 210 HE1 TRP 30 HE1 TRP 30 3.661 -5.186 -4.809 211 HE3 TRP 30 HE3 TRP 30 7.237 -8.544 -6.933 212 HZ2 TRP 30 HZ2 TRP 30 3.204 -7.874 -4.079 213 HZ3 TRP 30 HZ3 TRP 30 6.122 -10.443 -5.837 214 HH2 TRP 30 HH2 TRP 30 4.147 -10.113 -4.439 215 H ASP 31 H ASP 31 5.075 -7.175 -8.915 216 HA ASP 31 HA ASP 31 6.536 -9.628 -9.208 217 HB2 ASP 31 1HB ASP 31 4.290 -9.191 -7.956 218 HB3 ASP 31 2HB ASP 31 3.561 -9.413 -9.545 219 H GLN 32 H GLN 32 4.931 -7.412 -11.328 220 HA GLN 32 HA GLN 32 4.427 -9.126 -13.502 221 HB2 GLN 32 1HB GLN 32 3.518 -6.806 -13.210 222 HB3 GLN 32 2HB GLN 32 5.106 -6.186 -13.640 223 HG2 GLN 32 1HG GLN 32 4.924 -7.323 -15.820 224 HG3 GLN 32 2HG GLN 32 3.296 -7.841 -15.385 225 HE21 GLN 32 2HE2 GLN 32 2.137 -5.723 -14.312 226 HE22 GLN 32 1HE2 GLN 32 2.090 -4.392 -15.413 227 H ILE 33 H ILE 33 7.335 -7.731 -12.290 228 HA ILE 33 HA ILE 33 8.955 -7.569 -14.516 229 HB ILE 33 HB ILE 33 9.775 -8.599 -11.797 230 HG12 ILE 33 1HG1 ILE 33 8.641 -6.424 -11.669 231 HG13 ILE 33 2HG1 ILE 33 10.357 -6.266 -11.309 232 HG21 ILE 33 1HG2 ILE 33 11.433 -7.286 -13.946 233 HG22 ILE 33 2HG2 ILE 33 12.004 -7.868 -12.382 234 HG23 ILE 33 3HG2 ILE 33 11.419 -9.013 -13.589 235 HD11 ILE 33 3HD1 ILE 33 9.533 -4.448 -12.714 236 HD12 ILE 33 1HD1 ILE 33 10.766 -5.404 -13.534 237 HD13 ILE 33 2HD1 ILE 33 9.065 -5.618 -13.947 238 HA PRO 34 HA PRO 34 9.136 -11.719 -16.034 239 HB2 PRO 34 1HB PRO 34 11.229 -11.377 -17.729 240 HB3 PRO 34 2HB PRO 34 9.603 -10.778 -18.077 241 HG2 PRO 34 1HG PRO 34 11.976 -9.302 -17.002 242 HG3 PRO 34 2HG PRO 34 10.809 -8.795 -18.237 243 HD2 PRO 34 1HD PRO 34 10.679 -7.940 -15.671 244 HD3 PRO 34 2HD PRO 34 9.233 -8.176 -16.673 245 H ASP 35 H ASP 35 9.949 -13.388 -14.948 246 HA ASP 35 HA ASP 35 12.295 -13.185 -13.340 247 HB2 ASP 35 1HB ASP 35 10.581 -14.624 -12.541 248 HB3 ASP 35 2HB ASP 35 10.491 -15.488 -14.074 249 H ASP 36 H ASP 36 11.750 -13.930 -16.610 250 HA ASP 36 HA ASP 36 14.033 -15.642 -16.972 251 HB2 ASP 36 1HB ASP 36 11.975 -14.408 -18.736 252 HB3 ASP 36 2HB ASP 36 13.501 -14.887 -19.476 253 H TRP 37 H TRP 37 13.446 -12.250 -16.901 254 HA TRP 37 HA TRP 37 15.436 -11.230 -18.527 255 HB2 TRP 37 1HB TRP 37 13.691 -10.223 -16.563 256 HB3 TRP 37 2HB TRP 37 15.306 -9.723 -16.069 257 HD1 TRP 37 HD1 TRP 37 16.015 -7.477 -17.045 258 HE1 TRP 37 HE1 TRP 37 15.420 -6.093 -19.132 259 HE3 TRP 37 HE3 TRP 37 12.776 -10.737 -19.285 260 HZ2 TRP 37 HZ2 TRP 37 13.793 -6.349 -21.424 261 HZ3 TRP 37 HZ3 TRP 37 11.743 -10.091 -21.423 262 HH2 TRP 37 HH2 TRP 37 12.242 -7.942 -22.468 263 H CYS 38 H CYS 38 17.585 -10.591 -18.181 264 HA CYS 38 HA CYS 38 18.932 -11.994 -15.967 265 HB2 CYS 38 1HB CYS 38 19.801 -11.551 -18.819 266 HB3 CYS 38 2HB CYS 38 20.940 -11.994 -17.553 267 HG CYS 38 HG CYS 38 19.734 -14.087 -19.398 268 H CYS 39 H CYS 39 19.902 -10.723 -14.542 269 HA CYS 39 HA CYS 39 20.556 -7.967 -15.336 270 HB2 CYS 39 1HB CYS 39 19.401 -9.155 -12.921 271 HB3 CYS 39 2HB CYS 39 20.715 -8.034 -12.584 272 HG CYS 39 HG CYS 39 18.638 -6.745 -14.808 273 HA PRO 40 HA PRO 40 24.855 -8.541 -14.700 274 HB2 PRO 40 1HB PRO 40 25.587 -6.241 -13.456 275 HB3 PRO 40 2HB PRO 40 25.131 -6.307 -15.162 276 HG2 PRO 40 1HG PRO 40 23.496 -5.481 -12.795 277 HG3 PRO 40 2HG PRO 40 23.607 -4.726 -14.396 278 HD2 PRO 40 1HD PRO 40 21.551 -6.339 -13.685 279 HD3 PRO 40 2HD PRO 40 22.158 -6.244 -15.350 280 H ASP 41 H ASP 41 23.373 -7.117 -11.780 281 HA ASP 41 HA ASP 41 25.292 -8.433 -10.066 282 HB2 ASP 41 1HB ASP 41 23.382 -6.274 -9.824 283 HB3 ASP 41 2HB ASP 41 23.222 -7.402 -8.480 284 H CYS 42 H CYS 42 21.772 -8.596 -10.567 285 HA CYS 42 HA CYS 42 21.216 -10.637 -8.761 286 HB2 CYS 42 1HB CYS 42 19.590 -9.173 -10.106 287 HB3 CYS 42 2HB CYS 42 19.790 -10.350 -11.399 288 HG CYS 42 HG CYS 42 18.656 -11.142 -8.269 289 H SER 43 H SER 43 22.784 -10.754 -11.825 290 HA SER 43 HA SER 43 22.292 -13.310 -12.721 291 HB2 SER 43 1HB SER 43 23.631 -12.176 -14.199 292 HB3 SER 43 2HB SER 43 24.605 -11.446 -12.923 293 HG SER 43 HG SER 43 25.097 -13.656 -14.364 294 H VAL 44 H VAL 44 24.461 -12.263 -10.151 295 HA VAL 44 HA VAL 44 25.159 -15.064 -9.604 296 HB VAL 44 HB VAL 44 26.895 -14.090 -8.079 297 HG11 VAL 44 1HG1 VAL 44 28.435 -13.908 -9.770 298 HG12 VAL 44 2HG1 VAL 44 27.105 -14.687 -10.629 299 HG13 VAL 44 3HG1 VAL 44 27.363 -12.950 -10.791 300 HG21 VAL 44 3HG2 VAL 44 26.232 -11.486 -9.443 301 HG22 VAL 44 1HG2 VAL 44 25.722 -11.897 -7.806 302 HG23 VAL 44 2HG2 VAL 44 27.438 -11.765 -8.188 303 H ARG 45 H ARG 45 22.572 -13.891 -8.931 304 HA ARG 45 HA ARG 45 22.532 -14.641 -6.132 305 HB2 ARG 45 1HB ARG 45 22.821 -12.002 -6.592 306 HB3 ARG 45 2HB ARG 45 21.069 -12.124 -6.681 307 HG2 ARG 45 1HG ARG 45 21.717 -11.544 -4.445 308 HG3 ARG 45 2HG ARG 45 21.064 -13.183 -4.451 309 HD2 ARG 45 1HD ARG 45 23.126 -12.898 -3.073 310 HD3 ARG 45 2HD ARG 45 23.251 -14.131 -4.328 311 HE ARG 45 HE ARG 45 24.206 -11.635 -5.272 312 HH11 ARG 45 1HH1 ARG 45 25.054 -14.306 -3.207 313 HH12 ARG 45 2HH1 ARG 45 26.762 -14.086 -3.404 314 HH21 ARG 45 1HH2 ARG 45 26.451 -11.335 -5.540 315 HH22 ARG 45 2HH2 ARG 45 27.555 -12.395 -4.731 316 H GLU 46 H GLU 46 20.247 -14.737 -5.301 317 HA GLU 46 HA GLU 46 18.530 -15.775 -7.434 318 HB2 GLU 46 1HB GLU 46 18.335 -16.112 -4.436 319 HB3 GLU 46 2HB GLU 46 17.284 -16.878 -5.618 320 HG2 GLU 46 1HG GLU 46 20.257 -17.301 -5.461 321 HG3 GLU 46 2HG GLU 46 19.053 -18.362 -4.732 322 H LYS 47 H LYS 47 16.410 -15.117 -7.715 323 HA LYS 47 HA LYS 47 15.820 -12.423 -7.322 324 HB2 LYS 47 1HB LYS 47 14.742 -14.340 -8.843 325 HB3 LYS 47 2HB LYS 47 13.553 -14.336 -7.546 326 HG2 LYS 47 1HG LYS 47 12.725 -12.319 -8.125 327 HG3 LYS 47 2HG LYS 47 14.297 -11.698 -8.635 328 HD2 LYS 47 1HD LYS 47 14.073 -13.315 -10.615 329 HD3 LYS 47 2HD LYS 47 12.371 -13.426 -10.161 330 HE2 LYS 47 1HE LYS 47 12.574 -11.748 -11.849 331 HE3 LYS 47 2HE LYS 47 12.245 -10.939 -10.318 332 HZ1 LYS 47 3HZ LYS 47 14.251 -9.956 -10.308 333 HZ2 LYS 47 1HZ LYS 47 14.200 -10.226 -11.977 334 HZ3 LYS 47 2HZ LYS 47 15.049 -11.291 -10.973 335 H VAL 48 H VAL 48 15.404 -15.132 -5.219 336 HA VAL 48 HA VAL 48 13.376 -14.092 -3.545 337 HB VAL 48 HB VAL 48 14.086 -16.481 -3.580 338 HG11 VAL 48 1HG1 VAL 48 16.061 -17.229 -2.562 339 HG12 VAL 48 2HG1 VAL 48 16.563 -15.853 -3.547 340 HG13 VAL 48 3HG1 VAL 48 16.366 -15.666 -1.804 341 HG21 VAL 48 3HG2 VAL 48 13.001 -16.607 -1.646 342 HG22 VAL 48 1HG2 VAL 48 14.442 -16.078 -0.777 343 HG23 VAL 48 2HG2 VAL 48 13.293 -14.887 -1.387 344 H ASP 49 H ASP 49 16.602 -13.177 -3.989 345 HA ASP 49 HA ASP 49 17.339 -12.375 -1.397 346 HB2 ASP 49 1HB ASP 49 18.774 -12.539 -3.544 347 HB3 ASP 49 2HB ASP 49 18.204 -10.906 -3.875 348 H PHE 50 H PHE 50 15.204 -10.978 -3.732 349 HA PHE 50 HA PHE 50 15.222 -8.308 -2.831 350 HB2 PHE 50 1HB PHE 50 13.385 -9.991 -4.462 351 HB3 PHE 50 2HB PHE 50 12.745 -8.487 -3.806 352 HD1 PHE 50 HD2 PHE 50 14.099 -6.349 -4.270 353 HD2 PHE 50 HD1 PHE 50 14.594 -9.980 -6.434 354 HE1 PHE 50 HE2 PHE 50 15.134 -5.101 -6.121 355 HE2 PHE 50 HE1 PHE 50 15.631 -8.738 -8.288 356 HZ PHE 50 HZ PHE 50 15.900 -6.295 -8.134 357 H GLU 51 H GLU 51 14.680 -7.583 -0.892 358 HA GLU 51 HA GLU 51 12.598 -9.020 0.619 359 HB2 GLU 51 1HB GLU 51 14.704 -7.218 1.806 360 HB3 GLU 51 2HB GLU 51 13.658 -8.355 2.644 361 HG2 GLU 51 1HG GLU 51 14.824 -10.180 1.332 362 HG3 GLU 51 2HG GLU 51 16.001 -8.952 0.869 363 H ARG 52 H ARG 52 11.292 -7.667 2.090 364 HA ARG 52 HA ARG 52 10.578 -5.159 0.755 365 HB2 ARG 52 1HB ARG 52 8.819 -6.883 1.075 366 HB3 ARG 52 2HB ARG 52 9.029 -6.739 2.815 367 HG2 ARG 52 1HG ARG 52 8.368 -4.363 2.659 368 HG3 ARG 52 2HG ARG 52 8.061 -4.595 0.937 369 HD2 ARG 52 1HD ARG 52 5.956 -4.903 1.802 370 HD3 ARG 52 2HD ARG 52 6.554 -6.561 1.778 371 HE ARG 52 HE ARG 52 7.085 -5.238 4.256 372 HH11 ARG 52 1HH1 ARG 52 4.661 -6.940 2.426 373 HH12 ARG 52 2HH1 ARG 52 3.793 -7.475 3.827 374 HH21 ARG 52 1HH2 ARG 52 5.951 -5.937 6.108 375 HH22 ARG 52 2HH2 ARG 52 4.527 -6.903 5.920 376 H MET 53 H MET 53 10.440 -3.213 1.832 377 HA MET 53 HA MET 53 12.100 -2.969 4.178 378 HB2 MET 53 1HB MET 53 10.822 -1.093 2.251 379 HB3 MET 53 2HB MET 53 11.230 -0.472 3.844 380 HG2 MET 53 1HG MET 53 13.211 -1.892 2.091 381 HG3 MET 53 2HG MET 53 12.955 -0.149 2.040 382 HE1 MET 53 3HE MET 53 15.306 -2.036 2.444 383 HE2 MET 53 1HE MET 53 16.344 -1.194 3.595 384 HE3 MET 53 2HE MET 53 15.524 -2.681 4.072 385 H GLY 54 H GLY 54 11.483 -2.361 6.224 386 HA2 GLY 54 1HA GLY 54 9.804 -1.401 7.712 387 HA3 GLY 54 2HA GLY 54 8.577 -2.162 6.710 388 H GLY 55 H GLY 55 9.740 -2.334 9.652 389 HA2 GLY 55 1HA GLY 55 9.455 -5.270 9.768 390 HA3 GLY 55 2HA GLY 55 10.707 -4.445 10.685 391 H LYS 56 H LYS 56 7.220 -3.918 10.149 392 HA LYS 56 HA LYS 56 5.520 -3.480 11.597 393 HB2 LYS 56 1HB LYS 56 7.197 -5.408 13.186 394 HB3 LYS 56 2HB LYS 56 5.703 -4.746 13.836 395 HG2 LYS 56 1HG LYS 56 4.391 -5.809 12.224 396 HG3 LYS 56 2HG LYS 56 5.774 -6.116 11.171 397 HD2 LYS 56 1HD LYS 56 5.418 -8.199 12.105 398 HD3 LYS 56 2HD LYS 56 6.643 -7.526 13.183 399 HE2 LYS 56 1HE LYS 56 3.685 -7.351 13.718 400 HE3 LYS 56 2HE LYS 56 4.699 -8.666 14.311 401 HZ1 LYS 56 3HZ LYS 56 4.989 -7.338 16.067 402 HZ2 LYS 56 1HZ LYS 56 4.476 -5.949 15.249 403 HZ3 LYS 56 2HZ LYS 56 6.072 -6.485 15.086 Start of MODEL 9 1 H1 MET 1 H MET 1 2.530 -0.086 2.067 2 HA MET 1 HA MET 1 1.608 -1.370 -0.420 3 HB2 MET 1 1HB MET 1 3.274 0.214 -1.545 4 HB3 MET 1 2HB MET 1 1.770 0.911 -0.959 5 HG2 MET 1 1HG MET 1 2.799 2.034 0.761 6 HG3 MET 1 2HG MET 1 4.172 0.930 0.801 7 HE1 MET 1 3HE MET 1 4.482 4.975 -0.665 8 HE2 MET 1 1HE MET 1 2.907 4.312 -0.225 9 HE3 MET 1 2HE MET 1 4.261 4.187 0.898 10 H THR 2 H THR 2 3.340 -2.282 -1.763 11 HA THR 2 HA THR 2 5.298 -3.639 -0.084 12 HB THR 2 HB THR 2 4.506 -4.103 -2.965 13 HG1 THR 2 HG1 THR 2 2.915 -4.777 -1.510 14 HG21 THR 2 3HG2 THR 2 6.721 -4.854 -2.856 15 HG22 THR 2 1HG2 THR 2 5.769 -6.302 -2.532 16 HG23 THR 2 2HG2 THR 2 6.539 -5.437 -1.202 17 H ALA 3 H ALA 3 7.503 -3.566 -0.391 18 HA ALA 3 HA ALA 3 8.616 -1.947 -2.529 19 HB1 ALA 3 1HB ALA 3 8.038 -0.674 -0.180 20 HB2 ALA 3 2HB ALA 3 9.726 -1.132 0.048 21 HB3 ALA 3 3HB ALA 3 9.258 -0.160 -1.346 22 H TYR 4 H TYR 4 10.196 -3.160 -3.318 23 HA TYR 4 HA TYR 4 11.772 -4.814 -1.460 24 HB2 TYR 4 1HB TYR 4 10.938 -5.220 -4.314 25 HB3 TYR 4 2HB TYR 4 12.366 -6.035 -3.685 26 HD1 TYR 4 HD1 TYR 4 12.164 -7.778 -1.996 27 HD2 TYR 4 HD2 TYR 4 8.717 -5.832 -3.558 28 HE1 TYR 4 HE1 TYR 4 10.743 -9.551 -1.054 29 HE2 TYR 4 HE2 TYR 4 7.287 -7.599 -2.619 30 HH TYR 4 HH TYR 4 8.513 -9.988 -0.432 31 H ARG 5 H ARG 5 13.803 -4.227 -1.128 32 HA ARG 5 HA ARG 5 15.223 -2.764 -3.250 33 HB2 ARG 5 1HB ARG 5 14.637 -1.094 -1.645 34 HB3 ARG 5 2HB ARG 5 15.126 -2.122 -0.304 35 HG2 ARG 5 1HG ARG 5 17.210 -1.375 -0.397 36 HG3 ARG 5 2HG ARG 5 17.316 -1.702 -2.128 37 HD2 ARG 5 1HD ARG 5 17.525 0.545 -2.242 38 HD3 ARG 5 2HD ARG 5 15.764 0.483 -2.180 39 HE ARG 5 HE ARG 5 16.888 0.596 0.428 40 HH11 ARG 5 1HH1 ARG 5 16.151 2.539 -2.366 41 HH12 ARG 5 2HH1 ARG 5 15.996 4.010 -1.464 42 HH21 ARG 5 1HH2 ARG 5 16.687 2.526 1.626 43 HH22 ARG 5 2HH2 ARG 5 16.303 4.002 0.807 44 H CYS 6 H CYS 6 16.809 -4.044 -3.922 45 HA CYS 6 HA CYS 6 18.696 -5.115 -2.003 46 HB2 CYS 6 1HB CYS 6 16.670 -6.774 -3.209 47 HB3 CYS 6 2HB CYS 6 18.266 -7.287 -3.745 48 HG CYS 6 HG CYS 6 19.228 -7.519 -1.065 49 HA PRO 7 HA PRO 7 20.714 -3.514 -5.791 50 HB2 PRO 7 1HB PRO 7 22.880 -2.543 -4.472 51 HB3 PRO 7 2HB PRO 7 21.366 -1.644 -4.626 52 HG2 PRO 7 1HG PRO 7 22.379 -3.269 -2.325 53 HG3 PRO 7 2HG PRO 7 21.579 -1.687 -2.311 54 HD2 PRO 7 1HD PRO 7 20.267 -3.986 -1.744 55 HD3 PRO 7 2HD PRO 7 19.477 -2.606 -2.533 56 H VAL 8 H VAL 8 21.595 -5.767 -3.340 57 HA VAL 8 HA VAL 8 24.141 -6.552 -4.202 58 HB VAL 8 HB VAL 8 23.584 -8.763 -3.126 59 HG11 VAL 8 1HG1 VAL 8 24.371 -6.503 -2.007 60 HG12 VAL 8 2HG1 VAL 8 22.802 -6.629 -1.209 61 HG13 VAL 8 3HG1 VAL 8 23.986 -7.926 -1.039 62 HG21 VAL 8 3HG2 VAL 8 21.474 -9.337 -2.734 63 HG22 VAL 8 1HG2 VAL 8 21.231 -7.887 -1.760 64 HG23 VAL 8 2HG2 VAL 8 20.947 -7.838 -3.500 65 H CYS 9 H CYS 9 21.060 -7.017 -5.622 66 HA CYS 9 HA CYS 9 22.196 -8.999 -7.484 67 HB2 CYS 9 1HB CYS 9 19.242 -8.675 -7.216 68 HB3 CYS 9 2HB CYS 9 20.180 -10.108 -7.615 69 HG CYS 9 HG CYS 9 18.764 -9.483 -4.838 70 H ASP 10 H ASP 10 19.680 -6.475 -7.324 71 HA ASP 10 HA ASP 10 20.703 -5.248 -9.731 72 HB2 ASP 10 1HB ASP 10 18.697 -5.464 -11.047 73 HB3 ASP 10 2HB ASP 10 19.217 -7.077 -10.565 74 H TYR 11 H TYR 11 19.552 -3.228 -10.255 75 HA TYR 11 HA TYR 11 19.319 -1.511 -8.146 76 HB2 TYR 11 1HB TYR 11 18.082 -1.447 -10.886 77 HB3 TYR 11 2HB TYR 11 17.806 -0.143 -9.737 78 HD1 TYR 11 HD1 TYR 11 20.104 0.692 -8.575 79 HD2 TYR 11 HD2 TYR 11 19.775 -1.122 -12.409 80 HE1 TYR 11 HE1 TYR 11 22.227 1.738 -9.245 81 HE2 TYR 11 HE2 TYR 11 21.897 -0.083 -13.090 82 HH TYR 11 HH TYR 11 23.790 1.885 -10.824 83 H THR 12 H THR 12 17.491 -0.436 -7.166 84 HA THR 12 HA THR 12 15.230 -2.277 -6.771 85 HB THR 12 HB THR 12 16.335 -1.921 -4.695 86 HG1 THR 12 HG1 THR 12 13.907 -1.505 -4.909 87 HG21 THR 12 3HG2 THR 12 17.612 -0.109 -4.442 88 HG22 THR 12 1HG2 THR 12 16.140 0.809 -4.126 89 HG23 THR 12 2HG2 THR 12 16.792 0.723 -5.763 90 H TYR 13 H TYR 13 13.153 -1.601 -7.039 91 HA TYR 13 HA TYR 13 12.589 1.215 -7.509 92 HB2 TYR 13 1HB TYR 13 11.984 -0.908 -9.579 93 HB3 TYR 13 2HB TYR 13 11.458 0.770 -9.652 94 HD1 TYR 13 HD2 TYR 13 13.224 2.580 -9.819 95 HD2 TYR 13 HD1 TYR 13 14.105 -1.546 -10.374 96 HE1 TYR 13 HE2 TYR 13 15.308 3.186 -10.976 97 HE2 TYR 13 HE1 TYR 13 16.192 -0.951 -11.531 98 HH TYR 13 HH TYR 13 16.835 1.905 -12.811 99 H ASP 14 H ASP 14 11.069 1.485 -5.999 100 HA ASP 14 HA ASP 14 9.235 -0.540 -5.209 101 HB2 ASP 14 1HB ASP 14 9.801 1.085 -3.572 102 HB3 ASP 14 2HB ASP 14 9.402 2.419 -4.651 103 H GLU 15 H GLU 15 7.208 -0.973 -5.871 104 HA GLU 15 HA GLU 15 6.302 -0.186 -8.377 105 HB2 GLU 15 1HB GLU 15 4.113 -1.145 -7.682 106 HB3 GLU 15 2HB GLU 15 5.478 -2.203 -7.353 107 HG2 GLU 15 1HG GLU 15 4.278 -2.394 -5.415 108 HG3 GLU 15 2HG GLU 15 5.408 -1.108 -4.995 109 H GLY 16 H GLY 16 5.753 1.238 -5.223 110 HA2 GLY 16 1HA GLY 16 3.758 3.086 -6.262 111 HA3 GLY 16 2HA GLY 16 4.320 2.982 -4.600 112 H LYS 17 H LYS 17 6.853 3.025 -6.844 113 HA LYS 17 HA LYS 17 7.553 5.731 -6.035 114 HB2 LYS 17 1HB LYS 17 9.066 3.510 -6.286 115 HB3 LYS 17 2HB LYS 17 9.319 4.223 -7.874 116 HG2 LYS 17 1HG LYS 17 11.062 5.082 -6.619 117 HG3 LYS 17 2HG LYS 17 9.867 6.380 -6.583 118 HD2 LYS 17 1HD LYS 17 10.303 6.311 -4.361 119 HD3 LYS 17 2HD LYS 17 9.107 5.013 -4.402 120 HE2 LYS 17 1HE LYS 17 11.105 3.458 -4.820 121 HE3 LYS 17 2HE LYS 17 12.100 4.812 -4.287 122 HZ1 LYS 17 3HZ LYS 17 11.678 4.257 -2.202 123 HZ2 LYS 17 1HZ LYS 17 10.729 2.953 -2.714 124 HZ3 LYS 17 2HZ LYS 17 10.017 4.464 -2.448 125 H GLY 18 H GLY 18 7.145 3.889 -9.055 126 HA2 GLY 18 1HA GLY 18 6.231 4.654 -11.057 127 HA3 GLY 18 2HA GLY 18 6.167 6.275 -10.379 128 H ASP 19 H ASP 19 8.346 3.859 -11.762 129 HA ASP 19 HA ASP 19 10.154 6.050 -12.543 130 HB2 ASP 19 1HB ASP 19 11.843 4.135 -12.824 131 HB3 ASP 19 2HB ASP 19 11.413 4.602 -11.181 132 HA PRO 20 HA PRO 20 8.175 4.470 -16.428 133 HB2 PRO 20 1HB PRO 20 7.791 6.932 -17.505 134 HB3 PRO 20 2HB PRO 20 6.632 6.171 -16.408 135 HG2 PRO 20 1HG PRO 20 8.720 8.235 -15.824 136 HG3 PRO 20 2HG PRO 20 7.042 8.150 -15.257 137 HD2 PRO 20 1HD PRO 20 9.139 7.392 -13.721 138 HD3 PRO 20 2HD PRO 20 7.544 6.620 -13.608 139 H ARG 21 H ARG 21 10.952 6.201 -15.545 140 HA ARG 21 HA ARG 21 11.985 6.651 -18.188 141 HB2 ARG 21 1HB ARG 21 13.157 6.845 -15.423 142 HB3 ARG 21 2HB ARG 21 14.154 7.039 -16.859 143 HG2 ARG 21 1HG ARG 21 13.237 9.051 -17.398 144 HG3 ARG 21 2HG ARG 21 11.680 8.663 -16.663 145 HD2 ARG 21 1HD ARG 21 12.449 10.159 -15.127 146 HD3 ARG 21 2HD ARG 21 13.134 8.682 -14.453 147 HE ARG 21 HE ARG 21 15.207 9.531 -14.864 148 HH11 ARG 21 1HH1 ARG 21 12.916 11.168 -16.911 149 HH12 ARG 21 2HH1 ARG 21 14.081 12.283 -17.543 150 HH21 ARG 21 1HH2 ARG 21 16.750 10.994 -15.689 151 HH22 ARG 21 2HH2 ARG 21 16.261 12.183 -16.849 152 H GLU 22 H GLU 22 11.970 4.047 -15.927 153 HA GLU 22 HA GLU 22 14.101 2.651 -17.378 154 HB2 GLU 22 1HB GLU 22 12.843 2.306 -14.684 155 HB3 GLU 22 2HB GLU 22 13.627 0.931 -15.449 156 HG2 GLU 22 1HG GLU 22 14.895 3.573 -14.767 157 HG3 GLU 22 2HG GLU 22 15.164 2.028 -13.960 158 H GLY 23 H GLY 23 11.252 3.120 -18.286 159 HA2 GLY 23 1HA GLY 23 9.854 1.915 -19.677 160 HA3 GLY 23 2HA GLY 23 10.852 0.498 -19.384 161 H PHE 24 H PHE 24 9.622 2.202 -16.651 162 HA PHE 24 HA PHE 24 7.346 0.387 -16.395 163 HB2 PHE 24 1HB PHE 24 9.389 0.699 -14.190 164 HB3 PHE 24 2HB PHE 24 7.978 -0.353 -14.188 165 HD1 PHE 24 HD1 PHE 24 7.910 -2.075 -16.194 166 HD2 PHE 24 HD2 PHE 24 11.430 -0.222 -14.682 167 HE1 PHE 24 HE1 PHE 24 9.269 -3.901 -17.130 168 HE2 PHE 24 HE2 PHE 24 12.795 -2.043 -15.616 169 HZ PHE 24 HZ PHE 24 11.715 -3.886 -16.842 170 HA PRO 25 HA PRO 25 6.261 4.673 -15.139 171 HB2 PRO 25 1HB PRO 25 3.757 4.567 -16.182 172 HB3 PRO 25 2HB PRO 25 5.180 4.985 -17.142 173 HG2 PRO 25 1HG PRO 25 3.745 2.367 -16.925 174 HG3 PRO 25 2HG PRO 25 4.381 3.178 -18.368 175 HD2 PRO 25 1HD PRO 25 5.686 1.145 -17.144 176 HD3 PRO 25 2HD PRO 25 6.537 2.466 -17.971 177 H ALA 26 H ALA 26 4.094 5.370 -14.040 178 HA ALA 26 HA ALA 26 3.852 4.088 -11.610 179 HB1 ALA 26 1HB ALA 26 2.870 6.382 -12.644 180 HB2 ALA 26 2HB ALA 26 1.399 5.413 -12.548 181 HB3 ALA 26 3HB ALA 26 2.364 5.697 -11.099 182 H GLY 27 H GLY 27 2.410 2.624 -10.708 183 HA2 GLY 27 1HA GLY 27 0.573 1.139 -10.726 184 HA3 GLY 27 2HA GLY 27 0.463 1.333 -12.469 185 H THR 28 H THR 28 3.407 0.896 -12.727 186 HA THR 28 HA THR 28 3.329 -1.887 -13.210 187 HB THR 28 HB THR 28 5.718 -0.038 -13.065 188 HG1 THR 28 HG1 THR 28 4.035 0.377 -14.694 189 HG21 THR 28 3HG2 THR 28 6.671 -1.854 -14.627 190 HG22 THR 28 1HG2 THR 28 5.411 -2.889 -13.956 191 HG23 THR 28 2HG2 THR 28 6.630 -2.185 -12.895 192 H ARG 29 H ARG 29 3.213 -3.341 -11.622 193 HA ARG 29 HA ARG 29 4.528 -2.870 -9.076 194 HB2 ARG 29 1HB ARG 29 2.657 -4.992 -10.103 195 HB3 ARG 29 2HB ARG 29 3.484 -5.166 -8.561 196 HG2 ARG 29 1HG ARG 29 2.483 -2.814 -8.070 197 HG3 ARG 29 2HG ARG 29 1.358 -3.236 -9.362 198 HD2 ARG 29 1HD ARG 29 0.744 -5.275 -8.164 199 HD3 ARG 29 2HD ARG 29 1.881 -4.869 -6.880 200 HE ARG 29 HE ARG 29 0.264 -2.704 -6.981 201 HH11 ARG 29 1HH1 ARG 29 -0.330 -6.124 -6.722 202 HH12 ARG 29 2HH1 ARG 29 -1.791 -5.934 -5.811 203 HH21 ARG 29 1HH2 ARG 29 -1.658 -2.440 -5.782 204 HH22 ARG 29 2HH2 ARG 29 -2.546 -3.838 -5.277 205 H TRP 30 H TRP 30 6.118 -4.198 -8.177 206 HA TRP 30 HA TRP 30 8.190 -5.006 -9.808 207 HB2 TRP 30 1HB TRP 30 9.030 -6.273 -7.827 208 HB3 TRP 30 2HB TRP 30 8.545 -4.621 -7.452 209 HD1 TRP 30 HD1 TRP 30 6.219 -4.322 -6.067 210 HE1 TRP 30 HE1 TRP 30 5.041 -5.911 -4.421 211 HE3 TRP 30 HE3 TRP 30 8.583 -8.681 -7.314 212 HZ2 TRP 30 HZ2 TRP 30 5.105 -8.650 -3.740 213 HZ3 TRP 30 HZ3 TRP 30 7.966 -10.740 -6.117 214 HH2 TRP 30 HH2 TRP 30 6.263 -10.723 -4.367 215 H ASP 31 H ASP 31 5.355 -6.778 -8.820 216 HA ASP 31 HA ASP 31 6.205 -9.384 -9.410 217 HB2 ASP 31 1HB ASP 31 4.132 -8.874 -8.176 218 HB3 ASP 31 2HB ASP 31 3.421 -8.221 -9.650 219 H GLN 32 H GLN 32 4.907 -6.832 -11.454 220 HA GLN 32 HA GLN 32 4.458 -8.378 -13.762 221 HB2 GLN 32 1HB GLN 32 3.622 -6.041 -13.336 222 HB3 GLN 32 2HB GLN 32 5.245 -5.464 -13.689 223 HG2 GLN 32 1HG GLN 32 3.667 -5.291 -15.592 224 HG3 GLN 32 2HG GLN 32 5.113 -6.239 -15.938 225 HE21 GLN 32 2HE2 GLN 32 1.932 -6.858 -14.481 226 HE22 GLN 32 1HE2 GLN 32 1.579 -8.255 -15.434 227 H ILE 33 H ILE 33 7.342 -7.034 -12.375 228 HA ILE 33 HA ILE 33 9.047 -6.872 -14.536 229 HB ILE 33 HB ILE 33 9.757 -7.910 -11.790 230 HG12 ILE 33 1HG1 ILE 33 8.632 -5.734 -11.689 231 HG13 ILE 33 2HG1 ILE 33 10.338 -5.575 -11.285 232 HG21 ILE 33 1HG2 ILE 33 12.010 -7.187 -12.286 233 HG22 ILE 33 2HG2 ILE 33 11.467 -8.328 -13.516 234 HG23 ILE 33 3HG2 ILE 33 11.503 -6.601 -13.870 235 HD11 ILE 33 3HD1 ILE 33 10.814 -4.687 -13.469 236 HD12 ILE 33 1HD1 ILE 33 9.147 -4.954 -13.976 237 HD13 ILE 33 2HD1 ILE 33 9.509 -3.765 -12.725 238 HA PRO 34 HA PRO 34 9.275 -11.019 -16.056 239 HB2 PRO 34 1HB PRO 34 11.434 -10.680 -17.667 240 HB3 PRO 34 2HB PRO 34 9.825 -10.074 -18.077 241 HG2 PRO 34 1HG PRO 34 12.159 -8.610 -16.905 242 HG3 PRO 34 2HG PRO 34 11.043 -8.096 -18.184 243 HD2 PRO 34 1HD PRO 34 10.815 -7.246 -15.623 244 HD3 PRO 34 2HD PRO 34 9.408 -7.475 -16.682 245 H ASP 35 H ASP 35 9.956 -12.571 -14.712 246 HA ASP 35 HA ASP 35 12.296 -12.401 -13.125 247 HB2 ASP 35 1HB ASP 35 10.935 -14.996 -13.800 248 HB3 ASP 35 2HB ASP 35 11.723 -14.522 -12.298 249 H ASP 36 H ASP 36 11.838 -13.174 -16.380 250 HA ASP 36 HA ASP 36 14.029 -15.018 -16.647 251 HB2 ASP 36 1HB ASP 36 12.713 -13.439 -18.858 252 HB3 ASP 36 2HB ASP 36 13.585 -14.964 -18.992 253 H TRP 37 H TRP 37 13.666 -11.612 -16.534 254 HA TRP 37 HA TRP 37 15.722 -10.670 -18.114 255 HB2 TRP 37 1HB TRP 37 13.999 -9.542 -16.323 256 HB3 TRP 37 2HB TRP 37 15.533 -9.375 -15.474 257 HD1 TRP 37 HD1 TRP 37 17.080 -7.438 -16.214 258 HE1 TRP 37 HE1 TRP 37 17.002 -5.669 -18.082 259 HE3 TRP 37 HE3 TRP 37 13.134 -9.267 -18.900 260 HZ2 TRP 37 HZ2 TRP 37 15.470 -5.121 -20.388 261 HZ3 TRP 37 HZ3 TRP 37 12.425 -8.061 -20.925 262 HH2 TRP 37 HH2 TRP 37 13.570 -6.031 -21.651 263 H CYS 38 H CYS 38 17.892 -10.662 -18.027 264 HA CYS 38 HA CYS 38 19.149 -12.079 -15.785 265 HB2 CYS 38 1HB CYS 38 19.948 -11.639 -18.651 266 HB3 CYS 38 2HB CYS 38 21.136 -12.122 -17.446 267 HG CYS 38 HG CYS 38 18.480 -14.078 -17.282 268 H CYS 39 H CYS 39 20.494 -11.076 -14.425 269 HA CYS 39 HA CYS 39 21.365 -8.346 -15.113 270 HB2 CYS 39 1HB CYS 39 19.983 -9.387 -12.755 271 HB3 CYS 39 2HB CYS 39 21.427 -8.465 -12.354 272 HG CYS 39 HG CYS 39 18.601 -7.217 -12.676 273 HA PRO 40 HA PRO 40 25.535 -9.474 -14.360 274 HB2 PRO 40 1HB PRO 40 26.520 -7.287 -13.089 275 HB3 PRO 40 2HB PRO 40 26.109 -7.296 -14.808 276 HG2 PRO 40 1HG PRO 40 24.526 -6.263 -12.487 277 HG3 PRO 40 2HG PRO 40 24.780 -5.531 -14.082 278 HD2 PRO 40 1HD PRO 40 22.514 -6.864 -13.435 279 HD3 PRO 40 2HD PRO 40 23.177 -6.850 -15.082 280 H ASP 41 H ASP 41 24.169 -7.866 -11.480 281 HA ASP 41 HA ASP 41 25.861 -9.379 -9.705 282 HB2 ASP 41 1HB ASP 41 24.052 -7.096 -9.502 283 HB3 ASP 41 2HB ASP 41 23.909 -8.198 -8.135 284 H CYS 42 H CYS 42 22.350 -9.193 -10.282 285 HA CYS 42 HA CYS 42 21.565 -11.207 -8.537 286 HB2 CYS 42 1HB CYS 42 20.021 -9.647 -9.702 287 HB3 CYS 42 2HB CYS 42 20.299 -10.529 -11.199 288 HG CYS 42 HG CYS 42 18.856 -12.680 -10.640 289 H SER 43 H SER 43 23.178 -11.419 -11.573 290 HA SER 43 HA SER 43 22.465 -13.896 -12.535 291 HB2 SER 43 1HB SER 43 23.958 -12.972 -13.980 292 HB3 SER 43 2HB SER 43 24.886 -12.206 -12.691 293 HG SER 43 HG SER 43 25.167 -14.719 -13.839 294 H VAL 44 H VAL 44 24.436 -13.114 -9.764 295 HA VAL 44 HA VAL 44 24.955 -15.978 -9.319 296 HB VAL 44 HB VAL 44 26.314 -13.652 -7.957 297 HG11 VAL 44 1HG1 VAL 44 26.509 -16.594 -7.780 298 HG12 VAL 44 2HG1 VAL 44 28.032 -15.703 -7.770 299 HG13 VAL 44 3HG1 VAL 44 26.800 -15.360 -6.554 300 HG21 VAL 44 3HG2 VAL 44 26.981 -13.426 -10.186 301 HG22 VAL 44 1HG2 VAL 44 28.262 -14.394 -9.455 302 HG23 VAL 44 2HG2 VAL 44 27.026 -15.170 -10.446 303 H ARG 45 H ARG 45 23.213 -13.260 -8.186 304 HA ARG 45 HA ARG 45 22.660 -14.566 -5.614 305 HB2 ARG 45 1HB ARG 45 23.377 -12.043 -5.936 306 HB3 ARG 45 2HB ARG 45 21.665 -11.829 -6.272 307 HG2 ARG 45 1HG ARG 45 22.050 -11.369 -3.962 308 HG3 ARG 45 2HG ARG 45 21.158 -12.887 -4.085 309 HD2 ARG 45 1HD ARG 45 23.036 -12.898 -2.428 310 HD3 ARG 45 2HD ARG 45 23.119 -14.165 -3.652 311 HE ARG 45 HE ARG 45 24.595 -11.817 -4.370 312 HH11 ARG 45 1HH1 ARG 45 24.693 -14.788 -2.558 313 HH12 ARG 45 2HH1 ARG 45 26.420 -14.916 -2.610 314 HH21 ARG 45 1HH2 ARG 45 26.869 -11.973 -4.445 315 HH22 ARG 45 2HH2 ARG 45 27.657 -13.314 -3.683 316 H GLU 46 H GLU 46 20.883 -15.755 -5.502 317 HA GLU 46 HA GLU 46 18.956 -16.009 -7.470 318 HB2 GLU 46 1HB GLU 46 18.999 -16.668 -4.548 319 HB3 GLU 46 2HB GLU 46 17.513 -16.875 -5.465 320 HG2 GLU 46 1HG GLU 46 20.139 -18.127 -6.225 321 HG3 GLU 46 2HG GLU 46 18.908 -18.926 -5.249 322 H LYS 47 H LYS 47 16.962 -15.132 -7.859 323 HA LYS 47 HA LYS 47 16.518 -12.454 -7.225 324 HB2 LYS 47 1HB LYS 47 15.499 -13.996 -9.086 325 HB3 LYS 47 2HB LYS 47 14.229 -14.265 -7.899 326 HG2 LYS 47 1HG LYS 47 13.376 -12.196 -8.142 327 HG3 LYS 47 2HG LYS 47 14.960 -11.452 -8.375 328 HD2 LYS 47 1HD LYS 47 14.996 -11.946 -10.645 329 HD3 LYS 47 2HD LYS 47 13.796 -13.230 -10.485 330 HE2 LYS 47 1HE LYS 47 13.162 -10.331 -9.989 331 HE3 LYS 47 2HE LYS 47 13.013 -11.082 -11.578 332 HZ1 LYS 47 3HZ LYS 47 11.707 -12.414 -9.329 333 HZ2 LYS 47 1HZ LYS 47 11.219 -12.290 -10.944 334 HZ3 LYS 47 2HZ LYS 47 11.008 -10.981 -9.894 335 H VAL 48 H VAL 48 15.767 -15.321 -5.465 336 HA VAL 48 HA VAL 48 13.646 -14.336 -3.874 337 HB VAL 48 HB VAL 48 14.228 -16.747 -4.093 338 HG11 VAL 48 1HG1 VAL 48 16.216 -16.699 -1.960 339 HG12 VAL 48 2HG1 VAL 48 16.198 -17.606 -3.474 340 HG13 VAL 48 3HG1 VAL 48 16.772 -15.938 -3.451 341 HG21 VAL 48 3HG2 VAL 48 13.528 -17.333 -1.924 342 HG22 VAL 48 1HG2 VAL 48 14.302 -15.920 -1.205 343 HG23 VAL 48 2HG2 VAL 48 12.861 -15.724 -2.202 344 H ASP 49 H ASP 49 16.940 -13.572 -3.941 345 HA ASP 49 HA ASP 49 17.475 -13.077 -1.225 346 HB2 ASP 49 1HB ASP 49 19.192 -13.159 -3.034 347 HB3 ASP 49 2HB ASP 49 18.607 -11.600 -3.609 348 H PHE 50 H PHE 50 15.494 -11.433 -3.480 349 HA PHE 50 HA PHE 50 15.603 -8.808 -2.515 350 HB2 PHE 50 1HB PHE 50 13.696 -10.412 -4.115 351 HB3 PHE 50 2HB PHE 50 13.031 -8.984 -3.329 352 HD1 PHE 50 HD1 PHE 50 14.228 -6.759 -3.725 353 HD2 PHE 50 HD2 PHE 50 14.853 -10.223 -6.117 354 HE1 PHE 50 HE1 PHE 50 15.121 -5.346 -5.531 355 HE2 PHE 50 HE2 PHE 50 15.747 -8.816 -7.927 356 HZ PHE 50 HZ PHE 50 15.883 -6.375 -7.635 357 H GLU 51 H GLU 51 14.931 -7.894 -0.689 358 HA GLU 51 HA GLU 51 12.943 -9.323 0.948 359 HB2 GLU 51 1HB GLU 51 14.194 -8.342 2.944 360 HB3 GLU 51 2HB GLU 51 14.961 -9.683 2.106 361 HG2 GLU 51 1HG GLU 51 16.648 -8.397 1.287 362 HG3 GLU 51 2HG GLU 51 15.663 -6.935 1.246 363 H ARG 52 H ARG 52 11.334 -8.121 1.819 364 HA ARG 52 HA ARG 52 10.721 -5.615 0.734 365 HB2 ARG 52 1HB ARG 52 8.800 -5.646 2.065 366 HB3 ARG 52 2HB ARG 52 9.169 -7.351 1.838 367 HG2 ARG 52 1HG ARG 52 9.891 -5.725 4.268 368 HG3 ARG 52 2HG ARG 52 8.520 -6.829 4.142 369 HD2 ARG 52 1HD ARG 52 10.133 -8.662 3.639 370 HD3 ARG 52 2HD ARG 52 11.446 -7.530 3.963 371 HE ARG 52 HE ARG 52 9.711 -7.549 6.164 372 HH11 ARG 52 1HH1 ARG 52 11.987 -9.626 4.544 373 HH12 ARG 52 2HH1 ARG 52 12.407 -10.502 5.978 374 HH21 ARG 52 1HH2 ARG 52 10.256 -8.695 8.059 375 HH22 ARG 52 2HH2 ARG 52 11.422 -9.972 7.977 376 H MET 53 H MET 53 10.813 -3.531 1.542 377 HA MET 53 HA MET 53 12.411 -3.142 3.982 378 HB2 MET 53 1HB MET 53 12.873 -2.107 1.243 379 HB3 MET 53 2HB MET 53 13.126 -0.971 2.561 380 HG2 MET 53 1HG MET 53 14.414 -3.684 2.431 381 HG3 MET 53 2HG MET 53 15.159 -2.212 1.810 382 HE1 MET 53 3HE MET 53 17.179 -3.357 4.523 383 HE2 MET 53 1HE MET 53 17.056 -2.677 2.900 384 HE3 MET 53 2HE MET 53 17.403 -1.625 4.272 385 H GLY 54 H GLY 54 11.160 -2.177 5.439 386 HA2 GLY 54 1HA GLY 54 9.778 -0.609 6.401 387 HA3 GLY 54 2HA GLY 54 9.932 0.337 4.928 388 H GLY 55 H GLY 55 8.078 -2.107 6.599 389 HA2 GLY 55 1HA GLY 55 6.126 -2.252 4.435 390 HA3 GLY 55 2HA GLY 55 6.114 -3.202 5.913 391 H LYS 56 H LYS 56 5.515 -2.072 7.915 392 HA LYS 56 HA LYS 56 3.125 -0.591 7.560 393 HB2 LYS 56 1HB LYS 56 3.095 -0.434 10.009 394 HB3 LYS 56 2HB LYS 56 3.452 -2.072 9.475 395 HG2 LYS 56 1HG LYS 56 5.620 -1.991 10.215 396 HG3 LYS 56 2HG LYS 56 5.712 -0.233 10.088 397 HD2 LYS 56 1HD LYS 56 3.857 -0.360 11.970 398 HD3 LYS 56 2HD LYS 56 4.604 -1.931 12.266 399 HE2 LYS 56 1HE LYS 56 6.818 -0.475 12.130 400 HE3 LYS 56 2HE LYS 56 5.708 0.805 12.619 401 HZ1 LYS 56 3HZ LYS 56 5.177 -0.331 14.589 402 HZ2 LYS 56 1HZ LYS 56 6.860 -0.441 14.460 403 HZ3 LYS 56 2HZ LYS 56 5.894 -1.772 14.066 Start of MODEL 10 1 H1 MET 1 H MET 1 2.055 -0.206 2.306 2 HA MET 1 HA MET 1 1.866 -1.580 -0.076 3 HB2 MET 1 1HB MET 1 3.694 0.721 0.629 4 HB3 MET 1 2HB MET 1 3.379 0.172 -1.011 5 HG2 MET 1 1HG MET 1 1.181 1.046 0.832 6 HG3 MET 1 2HG MET 1 2.072 2.179 -0.182 7 HE1 MET 1 3HE MET 1 1.618 2.258 -3.057 8 HE2 MET 1 1HE MET 1 -0.141 2.384 -3.015 9 HE3 MET 1 2HE MET 1 0.826 3.119 -1.736 10 H THR 2 H THR 2 3.555 -2.286 -1.569 11 HA THR 2 HA THR 2 5.547 -3.889 -0.168 12 HB THR 2 HB THR 2 4.695 -3.901 -3.070 13 HG1 THR 2 HG1 THR 2 3.092 -4.875 -1.971 14 HG21 THR 2 3HG2 THR 2 5.928 -6.216 -2.859 15 HG22 THR 2 1HG2 THR 2 6.815 -5.384 -1.583 16 HG23 THR 2 2HG2 THR 2 6.830 -4.747 -3.227 17 H ALA 3 H ALA 3 7.745 -3.780 -0.527 18 HA ALA 3 HA ALA 3 8.820 -1.866 -2.421 19 HB1 ALA 3 1HB ALA 3 8.382 -1.095 0.259 20 HB2 ALA 3 2HB ALA 3 10.122 -1.296 0.051 21 HB3 ALA 3 3HB ALA 3 9.228 -0.206 -1.008 22 H TYR 4 H TYR 4 10.388 -2.954 -3.395 23 HA TYR 4 HA TYR 4 11.994 -4.844 -1.807 24 HB2 TYR 4 1HB TYR 4 11.186 -4.842 -4.707 25 HB3 TYR 4 2HB TYR 4 12.544 -5.803 -4.135 26 HD1 TYR 4 HD1 TYR 4 12.153 -7.624 -2.480 27 HD2 TYR 4 HD2 TYR 4 8.941 -5.527 -4.320 28 HE1 TYR 4 HE1 TYR 4 10.610 -9.421 -1.818 29 HE2 TYR 4 HE2 TYR 4 7.388 -7.318 -3.663 30 HH TYR 4 HH TYR 4 8.268 -10.289 -2.800 31 H ARG 5 H ARG 5 13.787 -3.808 -1.177 32 HA ARG 5 HA ARG 5 15.272 -2.265 -3.202 33 HB2 ARG 5 1HB ARG 5 14.411 -0.979 -1.216 34 HB3 ARG 5 2HB ARG 5 15.468 -1.956 -0.204 35 HG2 ARG 5 1HG ARG 5 16.759 -0.632 -2.495 36 HG3 ARG 5 2HG ARG 5 16.151 0.433 -1.225 37 HD2 ARG 5 1HD ARG 5 17.971 -1.929 -0.772 38 HD3 ARG 5 2HD ARG 5 18.509 -0.254 -0.893 39 HE ARG 5 HE ARG 5 16.568 -0.321 1.078 40 HH11 ARG 5 1HH1 ARG 5 19.703 -1.724 0.509 41 HH12 ARG 5 2HH1 ARG 5 20.110 -1.819 2.191 42 HH21 ARG 5 1HH2 ARG 5 17.093 -0.441 3.295 43 HH22 ARG 5 2HH2 ARG 5 18.624 -1.089 3.774 44 H CYS 6 H CYS 6 16.765 -3.613 -4.009 45 HA CYS 6 HA CYS 6 18.788 -4.651 -2.216 46 HB2 CYS 6 1HB CYS 6 16.828 -6.380 -3.617 47 HB3 CYS 6 2HB CYS 6 18.508 -6.899 -3.674 48 HG CYS 6 HG CYS 6 18.814 -7.441 -1.087 49 HA PRO 7 HA PRO 7 20.535 -3.012 -6.120 50 HB2 PRO 7 1HB PRO 7 22.766 -2.012 -4.940 51 HB3 PRO 7 2HB PRO 7 21.232 -1.136 -4.992 52 HG2 PRO 7 1HG PRO 7 22.416 -2.752 -2.768 53 HG3 PRO 7 2HG PRO 7 21.595 -1.182 -2.696 54 HD2 PRO 7 1HD PRO 7 20.357 -3.503 -2.055 55 HD3 PRO 7 2HD PRO 7 19.497 -2.133 -2.785 56 H VAL 8 H VAL 8 21.414 -5.400 -3.886 57 HA VAL 8 HA VAL 8 23.982 -6.108 -4.840 58 HB VAL 8 HB VAL 8 23.668 -8.224 -3.690 59 HG11 VAL 8 1HG1 VAL 8 22.385 -6.777 -1.606 60 HG12 VAL 8 2HG1 VAL 8 24.102 -7.127 -1.811 61 HG13 VAL 8 3HG1 VAL 8 23.410 -5.662 -2.508 62 HG21 VAL 8 3HG2 VAL 8 21.259 -8.217 -2.447 63 HG22 VAL 8 1HG2 VAL 8 20.830 -7.534 -4.015 64 HG23 VAL 8 2HG2 VAL 8 21.612 -9.112 -3.925 65 H CYS 9 H CYS 9 20.833 -6.554 -6.114 66 HA CYS 9 HA CYS 9 21.892 -8.457 -8.099 67 HB2 CYS 9 1HB CYS 9 19.287 -8.898 -8.369 68 HB3 CYS 9 2HB CYS 9 20.242 -9.739 -7.154 69 HG CYS 9 HG CYS 9 18.382 -9.189 -5.442 70 H ASP 10 H ASP 10 19.378 -5.966 -7.666 71 HA ASP 10 HA ASP 10 20.178 -4.698 -10.143 72 HB2 ASP 10 1HB ASP 10 18.596 -6.448 -10.893 73 HB3 ASP 10 2HB ASP 10 17.368 -5.774 -9.825 74 H TYR 11 H TYR 11 19.040 -2.643 -10.499 75 HA TYR 11 HA TYR 11 19.055 -0.979 -8.327 76 HB2 TYR 11 1HB TYR 11 17.768 -0.827 -11.013 77 HB3 TYR 11 2HB TYR 11 17.323 0.383 -9.815 78 HD1 TYR 11 HD2 TYR 11 19.328 1.587 -8.633 79 HD2 TYR 11 HD1 TYR 11 19.625 -0.462 -12.350 80 HE1 TYR 11 HE2 TYR 11 21.353 2.874 -9.174 81 HE2 TYR 11 HE1 TYR 11 21.651 0.819 -12.901 82 HH TYR 11 HH TYR 11 22.961 2.538 -12.308 83 H THR 12 H THR 12 17.346 0.129 -7.176 84 HA THR 12 HA THR 12 15.070 -1.656 -6.637 85 HB THR 12 HB THR 12 16.339 -1.391 -4.649 86 HG1 THR 12 HG1 THR 12 14.374 0.593 -4.248 87 HG21 THR 12 3HG2 THR 12 16.519 1.140 -3.818 88 HG22 THR 12 1HG2 THR 12 16.570 1.424 -5.558 89 HG23 THR 12 2HG2 THR 12 17.769 0.377 -4.799 90 H TYR 13 H TYR 13 13.023 -0.955 -6.876 91 HA TYR 13 HA TYR 13 12.461 1.890 -7.109 92 HB2 TYR 13 1HB TYR 13 11.104 1.362 -9.239 93 HB3 TYR 13 2HB TYR 13 12.849 1.529 -9.390 94 HD1 TYR 13 HD1 TYR 13 14.263 -0.487 -9.681 95 HD2 TYR 13 HD2 TYR 13 10.014 -0.715 -9.689 96 HE1 TYR 13 HE1 TYR 13 14.391 -2.715 -10.715 97 HE2 TYR 13 HE2 TYR 13 10.130 -2.944 -10.722 98 HH TYR 13 HH TYR 13 12.791 -4.814 -10.768 99 H ASP 14 H ASP 14 10.964 2.066 -5.568 100 HA ASP 14 HA ASP 14 9.151 -0.013 -4.871 101 HB2 ASP 14 1HB ASP 14 9.792 1.535 -3.163 102 HB3 ASP 14 2HB ASP 14 9.273 2.912 -4.131 103 H GLU 15 H GLU 15 7.031 -0.314 -5.385 104 HA GLU 15 HA GLU 15 6.074 0.509 -7.857 105 HB2 GLU 15 1HB GLU 15 4.920 -0.826 -5.483 106 HB3 GLU 15 2HB GLU 15 3.765 -0.074 -6.575 107 HG2 GLU 15 1HG GLU 15 4.334 -2.526 -6.952 108 HG3 GLU 15 2HG GLU 15 4.356 -1.455 -8.352 109 H GLY 16 H GLY 16 5.533 1.892 -4.653 110 HA2 GLY 16 1HA GLY 16 3.658 3.857 -5.623 111 HA3 GLY 16 2HA GLY 16 4.335 3.767 -4.003 112 H LYS 17 H LYS 17 6.895 3.596 -6.045 113 HA LYS 17 HA LYS 17 7.335 6.503 -5.885 114 HB2 LYS 17 1HB LYS 17 8.851 4.798 -4.635 115 HB3 LYS 17 2HB LYS 17 9.536 4.490 -6.225 116 HG2 LYS 17 1HG LYS 17 10.962 6.113 -5.586 117 HG3 LYS 17 2HG LYS 17 9.683 7.159 -6.207 118 HD2 LYS 17 1HD LYS 17 8.771 6.936 -3.744 119 HD3 LYS 17 2HD LYS 17 10.460 6.563 -3.392 120 HE2 LYS 17 1HE LYS 17 11.176 8.658 -4.313 121 HE3 LYS 17 2HE LYS 17 9.552 9.009 -4.901 122 HZ1 LYS 17 3HZ LYS 17 9.502 8.504 -2.117 123 HZ2 LYS 17 1HZ LYS 17 9.029 9.895 -2.955 124 HZ3 LYS 17 2HZ LYS 17 10.635 9.713 -2.459 125 H GLY 18 H GLY 18 7.523 3.676 -7.961 126 HA2 GLY 18 1HA GLY 18 7.361 3.593 -10.273 127 HA3 GLY 18 2HA GLY 18 7.341 5.350 -10.302 128 H ASP 19 H ASP 19 8.769 3.781 -12.139 129 HA ASP 19 HA ASP 19 11.285 5.028 -12.066 130 HB2 ASP 19 1HB ASP 19 11.417 3.075 -10.298 131 HB3 ASP 19 2HB ASP 19 11.647 2.078 -11.732 132 HA PRO 20 HA PRO 20 9.762 3.381 -16.128 133 HB2 PRO 20 1HB PRO 20 9.965 5.755 -17.429 134 HB3 PRO 20 2HB PRO 20 8.529 5.281 -16.514 135 HG2 PRO 20 1HG PRO 20 10.787 7.070 -15.702 136 HG3 PRO 20 2HG PRO 20 9.045 7.283 -15.450 137 HD2 PRO 20 1HD PRO 20 10.700 6.385 -13.503 138 HD3 PRO 20 2HD PRO 20 9.008 5.865 -13.632 139 H ARG 21 H ARG 21 12.586 4.777 -14.875 140 HA ARG 21 HA ARG 21 14.183 5.082 -17.154 141 HB2 ARG 21 1HB ARG 21 14.673 4.694 -14.252 142 HB3 ARG 21 2HB ARG 21 16.019 4.359 -15.333 143 HG2 ARG 21 1HG ARG 21 16.387 6.563 -14.892 144 HG3 ARG 21 2HG ARG 21 15.378 6.701 -16.333 145 HD2 ARG 21 1HD ARG 21 13.405 7.005 -14.896 146 HD3 ARG 21 2HD ARG 21 14.443 6.915 -13.473 147 HE ARG 21 HE ARG 21 14.112 9.160 -15.242 148 HH11 ARG 21 1HH1 ARG 21 16.199 7.614 -12.923 149 HH12 ARG 21 2HH1 ARG 21 17.028 9.075 -12.500 150 HH21 ARG 21 1HH2 ARG 21 15.196 11.090 -14.693 151 HH22 ARG 21 2HH2 ARG 21 16.456 11.052 -13.506 152 H GLU 22 H GLU 22 13.091 2.250 -15.498 153 HA GLU 22 HA GLU 22 14.923 0.580 -17.084 154 HB2 GLU 22 1HB GLU 22 13.408 0.000 -14.538 155 HB3 GLU 22 2HB GLU 22 14.240 -1.239 -15.467 156 HG2 GLU 22 1HG GLU 22 15.531 1.182 -14.231 157 HG3 GLU 22 2HG GLU 22 15.572 -0.455 -13.579 158 H GLY 23 H GLY 23 12.359 1.874 -17.938 159 HA2 GLY 23 1HA GLY 23 10.742 1.261 -19.473 160 HA3 GLY 23 2HA GLY 23 11.301 -0.400 -19.337 161 H PHE 24 H PHE 24 10.531 1.175 -16.394 162 HA PHE 24 HA PHE 24 7.858 -0.048 -16.368 163 HB2 PHE 24 1HB PHE 24 9.813 -0.182 -14.065 164 HB3 PHE 24 2HB PHE 24 8.218 -0.922 -14.142 165 HD1 PHE 24 HD2 PHE 24 7.872 -2.599 -16.133 166 HD2 PHE 24 HD1 PHE 24 11.656 -1.465 -14.548 167 HE1 PHE 24 HE2 PHE 24 8.868 -4.652 -17.052 168 HE2 PHE 24 HE1 PHE 24 12.658 -3.516 -15.465 169 HZ PHE 24 HZ PHE 24 11.264 -5.114 -16.717 170 HA PRO 25 HA PRO 25 7.547 4.343 -15.048 171 HB2 PRO 25 1HB PRO 25 5.129 4.739 -16.217 172 HB3 PRO 25 2HB PRO 25 6.656 4.892 -17.094 173 HG2 PRO 25 1HG PRO 25 4.736 2.597 -17.020 174 HG3 PRO 25 2HG PRO 25 5.593 3.294 -18.407 175 HD2 PRO 25 1HD PRO 25 6.416 1.028 -17.176 176 HD3 PRO 25 2HD PRO 25 7.548 2.173 -17.923 177 H ALA 26 H ALA 26 5.523 5.427 -14.019 178 HA ALA 26 HA ALA 26 4.898 4.158 -11.652 179 HB1 ALA 26 1HB ALA 26 4.322 6.615 -12.822 180 HB2 ALA 26 2HB ALA 26 2.748 5.910 -12.451 181 HB3 ALA 26 3HB ALA 26 3.948 6.109 -11.174 182 H GLY 27 H GLY 27 3.472 2.655 -11.015 183 HA2 GLY 27 1HA GLY 27 1.212 1.737 -11.160 184 HA3 GLY 27 2HA GLY 27 1.331 1.902 -12.905 185 H THR 28 H THR 28 4.020 0.879 -13.099 186 HA THR 28 HA THR 28 3.544 -1.798 -13.567 187 HB THR 28 HB THR 28 6.199 -0.529 -12.871 188 HG1 THR 28 HG1 THR 28 5.128 -1.088 -15.445 189 HG21 THR 28 3HG2 THR 28 7.091 -2.559 -13.075 190 HG22 THR 28 1HG2 THR 28 6.457 -2.661 -14.717 191 HG23 THR 28 2HG2 THR 28 5.495 -3.251 -13.362 192 H ARG 29 H ARG 29 3.300 -3.530 -12.318 193 HA ARG 29 HA ARG 29 3.746 -3.292 -9.457 194 HB2 ARG 29 1HB ARG 29 2.666 -5.698 -10.917 195 HB3 ARG 29 2HB ARG 29 2.442 -5.265 -9.228 196 HG2 ARG 29 1HG ARG 29 1.319 -3.751 -11.576 197 HG3 ARG 29 2HG ARG 29 0.426 -4.887 -10.562 198 HD2 ARG 29 1HD ARG 29 0.880 -3.460 -8.608 199 HD3 ARG 29 2HD ARG 29 1.714 -2.314 -9.657 200 HE ARG 29 HE ARG 29 -0.319 -1.489 -10.272 201 HH11 ARG 29 1HH1 ARG 29 -0.767 -4.689 -8.975 202 HH12 ARG 29 2HH1 ARG 29 -2.496 -4.618 -9.048 203 HH21 ARG 29 1HH2 ARG 29 -2.596 -1.383 -10.373 204 HH22 ARG 29 2HH2 ARG 29 -3.536 -2.737 -9.843 205 H TRP 30 H TRP 30 5.273 -4.347 -8.304 206 HA TRP 30 HA TRP 30 7.641 -5.177 -9.486 207 HB2 TRP 30 1HB TRP 30 8.087 -6.280 -7.229 208 HB3 TRP 30 2HB TRP 30 7.720 -4.557 -7.205 209 HD1 TRP 30 HD1 TRP 30 5.528 -3.790 -5.963 210 HE1 TRP 30 HE1 TRP 30 3.846 -5.008 -4.441 211 HE3 TRP 30 HE3 TRP 30 6.940 -8.615 -6.891 212 HZ2 TRP 30 HZ2 TRP 30 3.204 -7.663 -3.728 213 HZ3 TRP 30 HZ3 TRP 30 5.742 -10.435 -5.749 214 HH2 TRP 30 HH2 TRP 30 3.913 -9.967 -4.200 215 H ASP 31 H ASP 31 4.723 -6.951 -8.869 216 HA ASP 31 HA ASP 31 5.876 -9.557 -9.131 217 HB2 ASP 31 1HB ASP 31 3.708 -9.013 -7.941 218 HB3 ASP 31 2HB ASP 31 2.977 -8.809 -9.531 219 H GLN 32 H GLN 32 4.561 -7.183 -11.315 220 HA GLN 32 HA GLN 32 4.073 -8.849 -13.530 221 HB2 GLN 32 1HB GLN 32 4.778 -5.918 -13.369 222 HB3 GLN 32 2HB GLN 32 4.307 -6.726 -14.858 223 HG2 GLN 32 1HG GLN 32 2.503 -6.977 -12.519 224 HG3 GLN 32 2HG GLN 32 2.573 -5.423 -13.349 225 HE21 GLN 32 2HE2 GLN 32 1.344 -8.581 -13.383 226 HE22 GLN 32 1HE2 GLN 32 0.560 -8.519 -14.921 227 H ILE 33 H ILE 33 6.989 -7.652 -12.146 228 HA ILE 33 HA ILE 33 8.736 -7.553 -14.276 229 HB ILE 33 HB ILE 33 9.338 -8.684 -11.541 230 HG12 ILE 33 1HG1 ILE 33 8.340 -6.443 -11.425 231 HG13 ILE 33 2HG1 ILE 33 10.041 -6.401 -10.974 232 HG21 ILE 33 1HG2 ILE 33 11.638 -8.091 -11.988 233 HG22 ILE 33 2HG2 ILE 33 11.048 -9.169 -13.251 234 HG23 ILE 33 3HG2 ILE 33 11.194 -7.440 -13.565 235 HD11 ILE 33 3HD1 ILE 33 10.617 -5.536 -13.165 236 HD12 ILE 33 1HD1 ILE 33 8.926 -5.622 -13.657 237 HD13 ILE 33 2HD1 ILE 33 9.417 -4.510 -12.379 238 HA PRO 34 HA PRO 34 8.743 -11.677 -15.875 239 HB2 PRO 34 1HB PRO 34 10.945 -11.437 -17.445 240 HB3 PRO 34 2HB PRO 34 9.382 -10.728 -17.868 241 HG2 PRO 34 1HG PRO 34 11.778 -9.428 -16.631 242 HG3 PRO 34 2HG PRO 34 10.716 -8.824 -17.917 243 HD2 PRO 34 1HD PRO 34 10.496 -8.011 -15.343 244 HD3 PRO 34 2HD PRO 34 9.096 -8.136 -16.428 245 H ASP 35 H ASP 35 9.378 -13.404 -14.761 246 HA ASP 35 HA ASP 35 11.616 -13.393 -13.010 247 HB2 ASP 35 1HB ASP 35 11.035 -15.671 -12.513 248 HB3 ASP 35 2HB ASP 35 9.538 -14.760 -12.688 249 H ASP 36 H ASP 36 11.277 -14.005 -16.341 250 HA ASP 36 HA ASP 36 13.720 -15.605 -16.476 251 HB2 ASP 36 1HB ASP 36 11.526 -14.955 -18.410 252 HB3 ASP 36 2HB ASP 36 13.095 -15.474 -19.021 253 H TRP 37 H TRP 37 13.757 -12.789 -15.671 254 HA TRP 37 HA TRP 37 14.959 -11.409 -17.932 255 HB2 TRP 37 1HB TRP 37 13.421 -10.405 -16.047 256 HB3 TRP 37 2HB TRP 37 14.935 -10.294 -15.154 257 HD1 TRP 37 HD1 TRP 37 16.282 -8.148 -15.533 258 HE1 TRP 37 HE1 TRP 37 16.276 -6.257 -17.278 259 HE3 TRP 37 HE3 TRP 37 12.848 -10.067 -18.798 260 HZ2 TRP 37 HZ2 TRP 37 14.987 -5.657 -19.717 261 HZ3 TRP 37 HZ3 TRP 37 12.284 -8.772 -20.812 262 HH2 TRP 37 HH2 TRP 37 13.332 -6.612 -21.260 263 H CYS 38 H CYS 38 17.093 -10.531 -17.873 264 HA CYS 38 HA CYS 38 18.921 -12.010 -16.096 265 HB2 CYS 38 1HB CYS 38 20.593 -11.820 -17.971 266 HB3 CYS 38 2HB CYS 38 19.218 -12.865 -18.310 267 HG CYS 38 HG CYS 38 19.429 -11.706 -20.686 268 H CYS 39 H CYS 39 20.084 -10.786 -14.777 269 HA CYS 39 HA CYS 39 20.539 -7.970 -15.514 270 HB2 CYS 39 1HB CYS 39 19.482 -9.181 -13.067 271 HB3 CYS 39 2HB CYS 39 20.801 -8.056 -12.769 272 HG CYS 39 HG CYS 39 19.290 -6.188 -14.616 273 HA PRO 40 HA PRO 40 24.864 -8.514 -15.041 274 HB2 PRO 40 1HB PRO 40 25.624 -6.217 -13.812 275 HB3 PRO 40 2HB PRO 40 25.105 -6.276 -15.500 276 HG2 PRO 40 1HG PRO 40 23.553 -5.476 -13.069 277 HG3 PRO 40 2HG PRO 40 23.599 -4.712 -14.668 278 HD2 PRO 40 1HD PRO 40 21.583 -6.343 -13.891 279 HD3 PRO 40 2HD PRO 40 22.127 -6.235 -15.578 280 H ASP 41 H ASP 41 23.483 -7.117 -12.060 281 HA ASP 41 HA ASP 41 25.472 -8.431 -10.427 282 HB2 ASP 41 1HB ASP 41 23.555 -6.287 -10.099 283 HB3 ASP 41 2HB ASP 41 23.463 -7.422 -8.755 284 H CYS 42 H CYS 42 21.937 -8.612 -10.799 285 HA CYS 42 HA CYS 42 21.460 -10.665 -8.984 286 HB2 CYS 42 1HB CYS 42 19.776 -9.204 -10.259 287 HB3 CYS 42 2HB CYS 42 19.936 -10.372 -11.566 288 HG CYS 42 HG CYS 42 17.732 -10.509 -9.389 289 H SER 43 H SER 43 22.915 -10.758 -12.103 290 HA SER 43 HA SER 43 22.404 -13.312 -12.996 291 HB2 SER 43 1HB SER 43 23.698 -12.239 -14.535 292 HB3 SER 43 2HB SER 43 24.640 -11.394 -13.307 293 HG SER 43 HG SER 43 25.211 -13.679 -14.631 294 H VAL 44 H VAL 44 24.440 -12.283 -10.358 295 HA VAL 44 HA VAL 44 25.261 -15.076 -9.905 296 HB VAL 44 HB VAL 44 27.132 -13.500 -10.160 297 HG11 VAL 44 1HG1 VAL 44 25.506 -11.884 -8.430 298 HG12 VAL 44 2HG1 VAL 44 27.111 -12.104 -7.729 299 HG13 VAL 44 3HG1 VAL 44 26.941 -11.438 -9.354 300 HG21 VAL 44 3HG2 VAL 44 27.160 -15.508 -8.590 301 HG22 VAL 44 1HG2 VAL 44 28.398 -14.277 -8.338 302 HG23 VAL 44 2HG2 VAL 44 26.990 -14.343 -7.278 303 H ARG 45 H ARG 45 23.344 -12.514 -8.720 304 HA ARG 45 HA ARG 45 23.123 -13.768 -6.073 305 HB2 ARG 45 1HB ARG 45 23.026 -11.030 -7.018 306 HB3 ARG 45 2HB ARG 45 21.590 -11.430 -6.085 307 HG2 ARG 45 1HG ARG 45 23.079 -10.593 -4.508 308 HG3 ARG 45 2HG ARG 45 23.213 -12.344 -4.331 309 HD2 ARG 45 1HD ARG 45 25.072 -11.573 -6.306 310 HD3 ARG 45 2HD ARG 45 25.241 -10.431 -4.973 311 HE ARG 45 HE ARG 45 25.140 -13.079 -3.989 312 HH11 ARG 45 1HH1 ARG 45 27.236 -10.862 -5.667 313 HH12 ARG 45 2HH1 ARG 45 28.694 -11.606 -5.099 314 HH21 ARG 45 1HH2 ARG 45 27.053 -14.067 -3.235 315 HH22 ARG 45 2HH2 ARG 45 28.588 -13.430 -3.717 316 H GLU 46 H GLU 46 21.465 -15.077 -5.725 317 HA GLU 46 HA GLU 46 19.468 -15.688 -7.529 318 HB2 GLU 46 1HB GLU 46 20.231 -16.716 -5.157 319 HB3 GLU 46 2HB GLU 46 18.744 -15.917 -4.665 320 HG2 GLU 46 1HG GLU 46 18.178 -18.142 -5.197 321 HG3 GLU 46 2HG GLU 46 17.586 -17.141 -6.521 322 H LYS 47 H LYS 47 17.390 -15.028 -7.894 323 HA LYS 47 HA LYS 47 16.733 -12.343 -7.447 324 HB2 LYS 47 1HB LYS 47 15.837 -13.968 -9.229 325 HB3 LYS 47 2HB LYS 47 14.688 -14.482 -8.000 326 HG2 LYS 47 1HG LYS 47 13.503 -12.549 -8.098 327 HG3 LYS 47 2HG LYS 47 14.912 -11.575 -8.522 328 HD2 LYS 47 1HD LYS 47 14.772 -12.120 -10.771 329 HD3 LYS 47 2HD LYS 47 13.843 -13.588 -10.460 330 HE2 LYS 47 1HE LYS 47 12.755 -10.838 -9.914 331 HE3 LYS 47 2HE LYS 47 12.589 -11.626 -11.483 332 HZ1 LYS 47 3HZ LYS 47 10.636 -12.006 -10.147 333 HZ2 LYS 47 1HZ LYS 47 11.567 -12.654 -8.891 334 HZ3 LYS 47 2HZ LYS 47 11.456 -13.469 -10.368 335 H VAL 48 H VAL 48 16.325 -15.120 -5.466 336 HA VAL 48 HA VAL 48 14.131 -14.236 -3.901 337 HB VAL 48 HB VAL 48 14.938 -16.593 -3.978 338 HG11 VAL 48 1HG1 VAL 48 17.388 -15.407 -3.254 339 HG12 VAL 48 2HG1 VAL 48 16.890 -16.418 -1.897 340 HG13 VAL 48 3HG1 VAL 48 17.043 -17.117 -3.510 341 HG21 VAL 48 3HG2 VAL 48 14.994 -15.634 -1.138 342 HG22 VAL 48 1HG2 VAL 48 13.528 -15.519 -2.112 343 HG23 VAL 48 2HG2 VAL 48 14.261 -17.093 -1.803 344 H ASP 49 H ASP 49 17.311 -13.141 -4.121 345 HA ASP 49 HA ASP 49 17.881 -12.436 -1.460 346 HB2 ASP 49 1HB ASP 49 19.431 -12.414 -3.520 347 HB3 ASP 49 2HB ASP 49 18.771 -10.811 -3.833 348 H PHE 50 H PHE 50 15.792 -11.027 -3.835 349 HA PHE 50 HA PHE 50 15.612 -8.407 -2.868 350 HB2 PHE 50 1HB PHE 50 13.858 -10.181 -4.500 351 HB3 PHE 50 2HB PHE 50 13.151 -8.712 -3.835 352 HD1 PHE 50 HD2 PHE 50 14.456 -6.515 -4.276 353 HD2 PHE 50 HD1 PHE 50 14.992 -10.101 -6.506 354 HE1 PHE 50 HE2 PHE 50 15.416 -5.214 -6.131 355 HE2 PHE 50 HE1 PHE 50 15.953 -8.806 -8.364 356 HZ PHE 50 HZ PHE 50 16.165 -6.359 -8.179 357 H GLU 51 H GLU 51 14.869 -7.622 -1.018 358 HA GLU 51 HA GLU 51 13.077 -9.306 0.600 359 HB2 GLU 51 1HB GLU 51 14.852 -7.060 1.563 360 HB3 GLU 51 2HB GLU 51 13.942 -8.187 2.558 361 HG2 GLU 51 1HG GLU 51 15.383 -9.976 1.295 362 HG3 GLU 51 2HG GLU 51 16.461 -8.606 1.035 363 H ARG 52 H ARG 52 11.156 -8.526 1.301 364 HA ARG 52 HA ARG 52 10.248 -6.026 0.123 365 HB2 ARG 52 1HB ARG 52 8.034 -6.757 0.615 366 HB3 ARG 52 2HB ARG 52 8.908 -8.155 0.001 367 HG2 ARG 52 1HG ARG 52 9.242 -8.935 2.309 368 HG3 ARG 52 2HG ARG 52 8.305 -7.557 2.890 369 HD2 ARG 52 1HD ARG 52 6.352 -8.340 1.691 370 HD3 ARG 52 2HD ARG 52 7.281 -9.668 0.996 371 HE ARG 52 HE ARG 52 7.291 -9.669 3.862 372 HH11 ARG 52 1HH1 ARG 52 5.512 -10.623 1.026 373 HH12 ARG 52 2HH1 ARG 52 4.673 -11.911 1.826 374 HH21 ARG 52 1HH2 ARG 52 6.194 -11.361 4.926 375 HH22 ARG 52 2HH2 ARG 52 5.062 -12.330 4.045 376 H MET 53 H MET 53 9.545 -4.253 1.252 377 HA MET 53 HA MET 53 9.964 -4.306 4.169 378 HB2 MET 53 1HB MET 53 10.586 -2.054 2.250 379 HB3 MET 53 2HB MET 53 10.708 -1.949 4.001 380 HG2 MET 53 1HG MET 53 12.210 -4.093 2.596 381 HG3 MET 53 2HG MET 53 12.807 -2.437 2.507 382 HE1 MET 53 3HE MET 53 12.622 -0.995 5.119 383 HE2 MET 53 1HE MET 53 14.047 -1.602 5.962 384 HE3 MET 53 2HE MET 53 14.115 -1.291 4.227 385 H GLY 54 H GLY 54 8.894 -2.245 5.177 386 HA2 GLY 54 1HA GLY 54 6.543 -1.248 3.886 387 HA3 GLY 54 2HA GLY 54 6.161 -2.497 5.061 388 H GLY 55 H GLY 55 6.982 -2.154 7.288 389 HA2 GLY 55 1HA GLY 55 8.079 -0.209 8.610 390 HA3 GLY 55 2HA GLY 55 6.709 0.690 7.975 391 H LYS 56 H LYS 56 7.807 -0.853 10.629 392 HA LYS 56 HA LYS 56 5.100 -1.150 11.688 393 HB2 LYS 56 1HB LYS 56 7.230 -3.288 11.868 394 HB3 LYS 56 2HB LYS 56 5.739 -3.290 12.802 395 HG2 LYS 56 1HG LYS 56 4.449 -3.376 10.714 396 HG3 LYS 56 2HG LYS 56 5.959 -3.427 9.801 397 HD2 LYS 56 1HD LYS 56 5.404 -5.667 9.936 398 HD3 LYS 56 2HD LYS 56 6.491 -5.478 11.314 399 HE2 LYS 56 1HE LYS 56 4.570 -5.241 12.801 400 HE3 LYS 56 2HE LYS 56 3.477 -5.398 11.427 401 HZ1 LYS 56 3HZ LYS 56 4.006 -7.626 11.160 402 HZ2 LYS 56 1HZ LYS 56 3.944 -7.456 12.842 403 HZ3 LYS 56 2HZ LYS 56 5.439 -7.512 12.053
Contact the webmaster for help, if required. Saturday, May 18, 2024 8:10:16 PM GMT (wattos1)