NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17303 | 2c34 | 6794 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 HT2 GLY -2 5.531 9.059 23.040 2 H2 GLY -2 HT1 GLY -2 6.294 10.274 23.936 3 H3 GLY -2 HT3 GLY -2 7.209 9.025 23.253 4 1HA GLY -2 HA2 GLY -2 6.947 8.667 25.620 5 2HA GLY -2 HA3 GLY -2 6.155 7.405 24.689 6 H SER -1 H SER -1 3.816 8.596 23.934 7 HA SER -1 HA SER -1 2.444 8.805 26.507 8 1HB SER -1 HB2 SER -1 1.082 10.708 25.701 9 2HB SER -1 HB3 SER -1 2.791 11.124 25.816 10 HG SER -1 HG SER -1 1.161 11.050 23.632 11 H HIS 0 H HIS 0 1.116 7.122 26.467 12 HA HIS 0 HA HIS 0 -0.465 5.627 25.817 13 1HB HIS 0 HB2 HIS 0 -1.233 7.827 23.887 14 2HB HIS 0 HB3 HIS 0 -2.223 6.425 24.279 15 HD1 HIS 0 HD1 HIS 0 -1.445 9.821 25.383 16 HD2 HIS 0 HD2 HIS 0 -3.146 6.409 27.033 17 HE1 HIS 0 HE1 HIS 0 -2.643 10.601 27.452 18 HE2 HIS 0 HE2 HIS 0 -3.736 8.532 28.387 19 H MET 1 H MET 1 0.660 3.951 24.974 20 HA MET 1 HA MET 1 1.860 4.039 22.375 21 1HB MET 1 HB2 MET 1 1.338 1.693 24.209 22 2HB MET 1 HB3 MET 1 2.347 1.653 22.770 23 1HG MET 1 HG2 MET 1 2.844 3.311 25.232 24 2HG MET 1 HG3 MET 1 3.684 1.824 24.792 25 1HE MET 1 HE1 MET 1 5.293 1.599 22.692 26 2HE MET 1 HE3 MET 1 4.000 2.175 21.640 27 3HE MET 1 HE2 MET 1 5.602 2.908 21.552 28 H ILE 2 H ILE 2 1.361 2.091 20.856 29 HA ILE 2 HA ILE 2 -1.320 2.440 19.941 30 HB ILE 2 HB ILE 2 -0.724 0.811 18.185 31 1HG1 ILE 2 2HG1 ILE 2 1.956 0.679 19.587 32 2HG1 ILE 2 3HG1 ILE 2 0.751 -0.604 19.609 33 1HG2 ILE 2 1HG2 ILE 2 -0.204 3.173 17.892 34 2HG2 ILE 2 3HG2 ILE 2 1.359 2.937 18.673 35 3HG2 ILE 2 2HG2 ILE 2 1.021 2.162 17.125 36 1HD1 ILE 2 1HD1 ILE 2 0.951 -0.831 17.187 37 2HD1 ILE 2 3HD1 ILE 2 2.169 0.445 17.173 38 3HD1 ILE 2 2HD1 ILE 2 2.496 -1.078 18.001 39 H ALA 3 H ALA 3 0.306 0.107 21.915 40 HA ALA 3 HA ALA 3 -0.379 -1.766 23.008 41 1HB ALA 3 HB2 ALA 3 -2.690 -1.837 23.763 42 2HB ALA 3 HB1 ALA 3 -2.032 -0.209 23.923 43 3HB ALA 3 HB3 ALA 3 -3.125 -0.592 22.593 44 HA PRO 4 HA PRO 4 -1.332 -4.040 19.123 45 1HB PRO 4 HB2 PRO 4 0.437 -6.044 19.558 46 2HB PRO 4 HB3 PRO 4 0.908 -4.495 18.849 47 1HG PRO 4 HG2 PRO 4 1.181 -5.448 21.675 48 2HG PRO 4 HG3 PRO 4 2.353 -4.571 20.673 49 1HD PRO 4 HD2 PRO 4 0.821 -3.345 22.543 50 2HD PRO 4 HD3 PRO 4 1.344 -2.535 21.053 51 H LEU 5 H LEU 5 -3.139 -5.207 19.186 52 HA LEU 5 HA LEU 5 -3.952 -6.645 21.523 53 1HB LEU 5 HB2 LEU 5 -5.537 -5.487 20.017 54 2HB LEU 5 HB3 LEU 5 -5.153 -6.639 18.753 55 HG LEU 5 HG LEU 5 -6.072 -8.458 20.143 56 1HD1 LEU 5 3HD1 LEU 5 -6.821 -6.232 22.034 57 2HD1 LEU 5 2HD1 LEU 5 -7.357 -7.907 22.153 58 3HD1 LEU 5 1HD1 LEU 5 -5.649 -7.512 22.342 59 1HD2 LEU 5 2HD2 LEU 5 -7.497 -7.333 18.517 60 2HD2 LEU 5 1HD2 LEU 5 -8.422 -7.827 19.936 61 3HD2 LEU 5 3HD2 LEU 5 -7.953 -6.138 19.733 62 H SER 6 H SER 6 -4.223 -8.874 21.772 63 HA SER 6 HA SER 6 -2.312 -10.470 20.284 64 1HB SER 6 HB2 SER 6 -4.065 -11.182 22.648 65 2HB SER 6 HB3 SER 6 -2.808 -12.212 21.965 66 HG SER 6 HG SER 6 -1.329 -11.043 22.914 67 H VAL 7 H VAL 7 -5.174 -9.533 19.400 68 HA VAL 7 HA VAL 7 -6.118 -12.182 18.530 69 HB VAL 7 HB VAL 7 -7.761 -9.657 18.462 70 1HG1 VAL 7 3HG1 VAL 7 -8.467 -12.589 18.435 71 2HG1 VAL 7 2HG1 VAL 7 -9.638 -11.274 18.521 72 3HG1 VAL 7 1HG1 VAL 7 -8.614 -11.449 17.098 73 1HG2 VAL 7 1HG2 VAL 7 -7.036 -9.993 20.764 74 2HG2 VAL 7 3HG2 VAL 7 -8.757 -10.336 20.591 75 3HG2 VAL 7 2HG2 VAL 7 -7.601 -11.663 20.709 76 H LYS 8 H LYS 8 -4.208 -9.877 17.440 77 HA LYS 8 HA LYS 8 -4.722 -10.489 14.688 78 1HB LYS 8 HB2 LYS 8 -4.756 -8.040 14.051 79 2HB LYS 8 HB3 LYS 8 -6.217 -8.665 14.795 80 1HG LYS 8 HG2 LYS 8 -6.071 -6.809 16.043 81 2HG LYS 8 HG3 LYS 8 -4.913 -7.761 16.976 82 1HD LYS 8 HD2 LYS 8 -3.078 -6.812 15.662 83 2HD LYS 8 HD3 LYS 8 -4.237 -5.859 14.733 84 1HE LYS 8 HE2 LYS 8 -4.921 -4.701 16.776 85 2HE LYS 8 HE3 LYS 8 -3.765 -5.656 17.705 86 1HZ LYS 8 HZ3 LYS 8 -1.974 -4.678 16.412 87 2HZ LYS 8 HZ2 LYS 8 -3.082 -3.761 15.521 88 3HZ LYS 8 HZ1 LYS 8 -2.884 -3.474 17.176 89 H ASP 9 H ASP 9 -2.852 -10.698 13.688 90 HA ASP 9 HA ASP 9 -0.488 -9.399 14.868 91 1HB ASP 9 HB2 ASP 9 -0.549 -11.911 15.000 92 2HB ASP 9 HB3 ASP 9 -0.518 -11.942 13.239 93 H ASN 10 H ASN 10 0.202 -7.764 13.654 94 HA ASN 10 HA ASN 10 0.080 -8.034 10.736 95 1HB ASN 10 HB2 ASN 10 -0.048 -5.351 11.091 96 2HB ASN 10 HB3 ASN 10 -1.449 -6.390 10.859 97 1HD2 ASN 10 1HD2 ASN 10 0.352 -4.442 13.052 98 2HD2 ASN 10 2HD2 ASN 10 -0.772 -4.490 14.364 99 H ASP 11 H ASP 11 1.284 -5.299 12.483 100 HA ASP 11 HA ASP 11 3.438 -4.575 11.244 101 1HB ASP 11 HB2 ASP 11 4.571 -4.280 13.593 102 2HB ASP 11 HB3 ASP 11 3.126 -3.372 13.165 103 H LYS 12 H LYS 12 4.785 -5.760 10.148 104 HA LYS 12 HA LYS 12 6.022 -8.124 11.330 105 1HB LYS 12 HB2 LYS 12 5.672 -7.077 8.572 106 2HB LYS 12 HB3 LYS 12 7.106 -8.047 8.881 107 1HG LYS 12 HG2 LYS 12 4.576 -9.161 9.886 108 2HG LYS 12 HG3 LYS 12 4.729 -9.059 8.131 109 1HD LYS 12 HD2 LYS 12 5.519 -11.216 8.911 110 2HD LYS 12 HD3 LYS 12 6.865 -10.276 8.265 111 1HE LYS 12 HE2 LYS 12 7.490 -11.416 10.331 112 2HE LYS 12 HE3 LYS 12 7.540 -9.665 10.527 113 1HZ LYS 12 HZ1 LYS 12 5.380 -9.763 11.610 114 2HZ LYS 12 HZ3 LYS 12 5.338 -11.445 11.426 115 3HZ LYS 12 HZ2 LYS 12 6.502 -10.731 12.424 116 H TRP 13 H TRP 13 7.423 -7.211 12.819 117 HA TRP 13 HA TRP 13 9.310 -5.191 12.141 118 1HB TRP 13 HB2 TRP 13 9.572 -7.043 14.487 119 2HB TRP 13 HB3 TRP 13 10.002 -5.344 14.357 120 HD1 TRP 13 HD1 TRP 13 6.951 -7.612 14.845 121 HE1 TRP 13 HE1 TRP 13 5.006 -6.204 15.767 122 HE3 TRP 13 HE3 TRP 13 9.095 -2.977 14.568 123 HZ2 TRP 13 HZ2 TRP 13 4.437 -3.486 16.295 124 HZ3 TRP 13 HZ3 TRP 13 7.788 -1.029 15.310 125 HH2 TRP 13 HH2 TRP 13 5.514 -1.280 16.161 126 H VAL 14 H VAL 14 10.670 -5.739 10.491 127 HA VAL 14 HA VAL 14 12.685 -7.748 11.100 128 HB VAL 14 HB VAL 14 10.765 -8.957 9.964 129 1HG1 VAL 14 3HG1 VAL 14 10.188 -7.245 8.338 130 2HG1 VAL 14 2HG1 VAL 14 11.758 -7.445 7.561 131 3HG1 VAL 14 1HG1 VAL 14 10.590 -8.765 7.541 132 1HG2 VAL 14 1HG2 VAL 14 13.265 -9.617 10.034 133 2HG2 VAL 14 3HG2 VAL 14 12.166 -10.472 8.952 134 3HG2 VAL 14 2HG2 VAL 14 13.230 -9.220 8.314 135 H ASP 15 H ASP 15 14.192 -7.943 9.090 136 HA ASP 15 HA ASP 15 14.903 -5.207 8.334 137 1HB ASP 15 HB2 ASP 15 17.123 -6.018 7.998 138 2HB ASP 15 HB3 ASP 15 16.538 -6.727 9.504 139 H THR 16 H THR 16 16.341 -5.426 6.089 140 HA THR 16 HA THR 16 15.267 -7.109 4.083 141 HB THR 16 HB THR 16 13.333 -5.484 4.612 142 HG1 THR 16 HG1 THR 16 12.904 -6.497 2.785 143 1HG2 THR 16 2HG2 THR 16 14.707 -3.437 4.619 144 2HG2 THR 16 1HG2 THR 16 15.038 -3.676 2.904 145 3HG2 THR 16 3HG2 THR 16 13.391 -3.357 3.447 146 H HIS 17 H HIS 17 15.544 -5.781 1.811 147 HA HIS 17 HA HIS 17 18.277 -4.683 1.884 148 1HB HIS 17 HB2 HIS 17 16.910 -6.561 0.005 149 2HB HIS 17 HB3 HIS 17 18.157 -5.496 -0.634 150 HD1 HIS 17 HD1 HIS 17 20.540 -6.186 -0.255 151 HD2 HIS 17 HD2 HIS 17 17.862 -8.370 2.052 152 HE1 HIS 17 HE1 HIS 17 21.902 -8.014 0.807 153 HE2 HIS 17 HE2 HIS 17 20.243 -9.375 2.128 154 H VAL 18 H VAL 18 18.403 -3.701 -0.719 155 HA VAL 18 HA VAL 18 16.632 -1.392 -0.457 156 HB VAL 18 HB VAL 18 18.950 -1.744 -2.359 157 1HG1 VAL 18 1HG1 VAL 18 17.416 0.700 -1.473 158 2HG1 VAL 18 3HG1 VAL 18 18.860 0.717 -2.486 159 3HG1 VAL 18 2HG1 VAL 18 17.379 -0.040 -3.072 160 1HG2 VAL 18 2HG2 VAL 18 19.708 -1.914 -0.047 161 2HG2 VAL 18 1HG2 VAL 18 20.244 -0.401 -0.778 162 3HG2 VAL 18 3HG2 VAL 18 18.882 -0.405 0.343 163 H GLY 19 H GLY 19 15.089 -0.837 -1.837 164 1HA GLY 19 HA3 GLY 19 14.854 -1.462 -4.534 165 2HA GLY 19 HA2 GLY 19 13.523 -1.017 -3.486 166 H LYS 20 H LYS 20 14.355 -3.546 -1.859 167 HA LYS 20 HA LYS 20 13.780 -5.754 -3.525 168 1HB LYS 20 HB2 LYS 20 14.643 -5.456 -0.947 169 2HB LYS 20 HB3 LYS 20 12.999 -6.007 -0.700 170 1HG LYS 20 HG2 LYS 20 14.208 -7.970 -0.728 171 2HG LYS 20 HG3 LYS 20 13.598 -7.859 -2.383 172 1HD LYS 20 HD2 LYS 20 15.668 -7.158 -3.216 173 2HD LYS 20 HD3 LYS 20 16.249 -6.724 -1.613 174 1HE LYS 20 HE2 LYS 20 15.720 -9.522 -2.609 175 2HE LYS 20 HE3 LYS 20 17.308 -8.778 -2.422 176 1HZ LYS 20 HZ3 LYS 20 16.901 -8.595 -0.046 177 2HZ LYS 20 HZ2 LYS 20 15.383 -9.317 -0.227 178 3HZ LYS 20 HZ1 LYS 20 16.783 -10.206 -0.553 179 H THR 21 H THR 21 12.003 -4.971 -4.739 180 HA THR 21 HA THR 21 9.604 -3.994 -3.892 181 HB THR 21 HB THR 21 9.759 -6.067 -6.072 182 HG1 THR 21 HG1 THR 21 11.381 -4.704 -6.633 183 1HG2 THR 21 3HG2 THR 21 7.532 -5.224 -5.500 184 2HG2 THR 21 2HG2 THR 21 8.095 -3.569 -5.726 185 3HG2 THR 21 1HG2 THR 21 8.026 -4.671 -7.100 186 H THR 22 H THR 22 8.683 -4.772 -2.073 187 HA THR 22 HA THR 22 8.166 -7.637 -1.842 188 HB THR 22 HB THR 22 7.705 -5.381 0.123 189 HG1 THR 22 HG1 THR 22 9.633 -5.884 0.850 190 1HG2 THR 22 2HG2 THR 22 6.054 -7.155 0.447 191 2HG2 THR 22 1HG2 THR 22 7.344 -8.356 0.496 192 3HG2 THR 22 3HG2 THR 22 7.225 -7.138 1.766 193 H GLU 23 H GLU 23 6.542 -8.153 -3.155 194 HA GLU 23 HA GLU 23 4.192 -6.544 -3.443 195 1HB GLU 23 HB2 GLU 23 5.157 -7.880 -5.286 196 2HB GLU 23 HB3 GLU 23 4.795 -9.349 -4.388 197 1HG GLU 23 HG2 GLU 23 2.464 -9.010 -4.594 198 2HG GLU 23 HG3 GLU 23 2.700 -7.365 -5.184 199 H ILE 24 H ILE 24 2.329 -6.728 -2.388 200 HA ILE 24 HA ILE 24 1.861 -9.125 -0.762 201 HB ILE 24 HB ILE 24 1.345 -6.317 0.179 202 1HG1 ILE 24 2HG1 ILE 24 3.507 -8.263 0.996 203 2HG1 ILE 24 3HG1 ILE 24 3.751 -6.781 0.079 204 1HG2 ILE 24 1HG2 ILE 24 -0.207 -8.021 1.037 205 2HG2 ILE 24 3HG2 ILE 24 1.167 -8.945 1.646 206 3HG2 ILE 24 2HG2 ILE 24 0.813 -7.349 2.310 207 1HD1 ILE 24 2HD1 ILE 24 2.980 -5.478 1.999 208 2HD1 ILE 24 1HD1 ILE 24 2.784 -6.969 2.920 209 3HD1 ILE 24 3HD1 ILE 24 4.388 -6.469 2.384 210 H HIS 25 H HIS 25 0.196 -9.987 -1.847 211 HA HIS 25 HA HIS 25 -1.992 -8.349 -2.795 212 1HB HIS 25 HB2 HIS 25 -1.991 -11.353 -2.724 213 2HB HIS 25 HB3 HIS 25 -2.811 -10.281 -3.845 214 HD1 HIS 25 HD1 HIS 25 -0.110 -12.525 -3.796 215 HD2 HIS 25 HD2 HIS 25 -0.672 -8.737 -5.404 216 HE1 HIS 25 HE1 HIS 25 1.627 -12.297 -5.599 217 HE2 HIS 25 HE2 HIS 25 1.175 -10.051 -6.647 218 H LEU 26 H LEU 26 -3.040 -7.528 -1.040 219 HA LEU 26 HA LEU 26 -3.819 -9.315 1.133 220 1HB LEU 26 HB2 LEU 26 -4.291 -6.358 0.838 221 2HB LEU 26 HB3 LEU 26 -4.539 -7.306 2.288 222 HG LEU 26 HG LEU 26 -1.805 -7.181 1.081 223 1HD1 LEU 26 3HD1 LEU 26 -2.532 -4.856 1.170 224 2HD1 LEU 26 2HD1 LEU 26 -3.015 -5.063 2.854 225 3HD1 LEU 26 1HD1 LEU 26 -1.314 -5.184 2.404 226 1HD2 LEU 26 2HD2 LEU 26 -2.419 -8.693 2.996 227 2HD2 LEU 26 1HD2 LEU 26 -1.087 -7.580 3.309 228 3HD2 LEU 26 3HD2 LEU 26 -2.691 -7.239 3.959 229 H LYS 27 H LYS 27 -5.918 -9.811 1.613 230 HA LYS 27 HA LYS 27 -7.851 -9.228 -0.510 231 1HB LYS 27 HB2 LYS 27 -7.975 -11.344 1.639 232 2HB LYS 27 HB3 LYS 27 -9.109 -11.148 0.312 233 1HG LYS 27 HG2 LYS 27 -7.498 -11.780 -1.294 234 2HG LYS 27 HG3 LYS 27 -6.182 -11.671 -0.126 235 1HD LYS 27 HD2 LYS 27 -7.140 -13.552 1.121 236 2HD LYS 27 HD3 LYS 27 -8.457 -13.656 -0.049 237 1HE LYS 27 HE2 LYS 27 -5.526 -14.049 -0.641 238 2HE LYS 27 HE3 LYS 27 -6.733 -15.327 -0.499 239 1HZ LYS 27 HZ3 LYS 27 -6.743 -13.161 -2.533 240 2HZ LYS 27 HZ2 LYS 27 -6.298 -14.771 -2.807 241 3HZ LYS 27 HZ1 LYS 27 -7.896 -14.394 -2.398 242 H GLY 28 H GLY 28 -10.171 -9.113 0.284 243 1HA GLY 28 HA3 GLY 28 -10.371 -6.855 1.999 244 2HA GLY 28 HA2 GLY 28 -10.899 -8.308 2.828 245 H ASN 29 H ASN 29 -12.124 -5.740 1.478 246 HA ASN 29 HA ASN 29 -13.917 -6.627 -0.499 247 1HB ASN 29 HB2 ASN 29 -14.817 -7.963 1.400 248 2HB ASN 29 HB3 ASN 29 -15.123 -6.463 2.273 249 1HD2 ASN 29 1HD2 ASN 29 -17.321 -6.805 2.377 250 2HD2 ASN 29 2HD2 ASN 29 -18.350 -6.677 0.995 251 HA PRO 30 HA PRO 30 -13.310 -2.054 -0.251 252 1HB PRO 30 HB2 PRO 30 -14.569 -2.497 -2.923 253 2HB PRO 30 HB3 PRO 30 -13.226 -1.438 -2.475 254 1HG PRO 30 HG2 PRO 30 -12.770 -3.743 -3.715 255 2HG PRO 30 HG3 PRO 30 -11.701 -3.191 -2.413 256 1HD PRO 30 HD2 PRO 30 -13.781 -5.319 -2.383 257 2HD PRO 30 HD3 PRO 30 -12.241 -5.234 -1.511 258 H THR 31 H THR 31 -16.105 -4.046 -0.762 259 HA THR 31 HA THR 31 -17.914 -1.760 -0.526 260 HB THR 31 HB THR 31 -19.711 -3.377 -1.002 261 HG1 THR 31 HG1 THR 31 -18.535 -5.485 -1.871 262 1HG2 THR 31 2HG2 THR 31 -18.601 -2.225 -2.858 263 2HG2 THR 31 1HG2 THR 31 -17.411 -3.523 -2.954 264 3HG2 THR 31 3HG2 THR 31 -19.104 -3.849 -3.326 265 H THR 32 H THR 32 -16.250 -2.836 1.734 266 HA THR 32 HA THR 32 -18.388 -3.748 3.533 267 HB THR 32 HB THR 32 -16.247 -5.088 3.394 268 HG1 THR 32 HG1 THR 32 -17.075 -5.642 5.261 269 1HG2 THR 32 3HG2 THR 32 -14.715 -3.132 3.287 270 2HG2 THR 32 2HG2 THR 32 -15.114 -2.771 4.965 271 3HG2 THR 32 1HG2 THR 32 -14.293 -4.278 4.560 272 H GLY 33 H GLY 33 -16.014 -1.208 3.046 273 1HA GLY 33 HA3 GLY 33 -16.973 0.143 5.479 274 2HA GLY 33 HA2 GLY 33 -17.062 0.974 3.934 275 H TYR 34 H TYR 34 -14.483 -1.097 5.239 276 HA TYR 34 HA TYR 34 -12.766 1.223 5.588 277 1HB TYR 34 HB2 TYR 34 -12.357 -1.702 6.211 278 2HB TYR 34 HB3 TYR 34 -11.125 -0.470 6.468 279 HD1 TYR 34 HD1 TYR 34 -14.530 -1.528 7.476 280 HD2 TYR 34 HD2 TYR 34 -11.138 0.872 8.428 281 HE1 TYR 34 HE1 TYR 34 -15.482 -1.068 9.696 282 HE2 TYR 34 HE2 TYR 34 -12.087 1.333 10.647 283 HH TYR 34 HH TYR 34 -14.289 1.355 11.743 284 H MET 35 H MET 35 -10.319 0.517 5.000 285 HA MET 35 HA MET 35 -10.137 -0.557 2.318 286 1HB MET 35 HB2 MET 35 -10.428 1.651 1.661 287 2HB MET 35 HB3 MET 35 -9.694 2.289 3.127 288 1HG MET 35 HG2 MET 35 -7.504 1.417 2.282 289 2HG MET 35 HG3 MET 35 -8.319 1.083 0.770 290 1HE MET 35 HE3 MET 35 -6.377 2.537 -0.341 291 2HE MET 35 HE2 MET 35 -7.924 2.720 -1.167 292 3HE MET 35 HE1 MET 35 -6.915 4.134 -0.862 293 H TRP 36 H TRP 36 -7.996 -1.135 1.779 294 HA TRP 36 HA TRP 36 -6.189 -1.251 4.095 295 1HB TRP 36 HB2 TRP 36 -6.905 -3.183 2.009 296 2HB TRP 36 HB3 TRP 36 -5.181 -3.044 2.305 297 HD1 TRP 36 HD1 TRP 36 -7.932 -5.079 3.358 298 HE1 TRP 36 HE1 TRP 36 -7.562 -6.105 5.689 299 HE3 TRP 36 HE3 TRP 36 -4.073 -2.123 4.935 300 HZ2 TRP 36 HZ2 TRP 36 -5.858 -5.709 7.904 301 HZ3 TRP 36 HZ3 TRP 36 -3.132 -2.511 7.168 302 HH2 TRP 36 HH2 TRP 36 -4.007 -4.265 8.623 303 H THR 37 H THR 37 -5.184 0.721 3.781 304 HA THR 37 HA THR 37 -3.321 0.772 1.515 305 HB THR 37 HB THR 37 -5.327 2.196 0.978 306 HG1 THR 37 HG1 THR 37 -3.236 2.610 0.071 307 1HG2 THR 37 3HG2 THR 37 -4.232 3.872 3.241 308 2HG2 THR 37 2HG2 THR 37 -5.488 4.376 2.108 309 3HG2 THR 37 1HG2 THR 37 -5.786 3.038 3.218 310 H ARG 38 H ARG 38 -2.099 3.246 2.082 311 HA ARG 38 HA ARG 38 -0.779 2.574 4.593 312 1HB ARG 38 HB2 ARG 38 -0.040 4.163 2.186 313 2HB ARG 38 HB3 ARG 38 0.687 4.608 3.714 314 1HG ARG 38 HG2 ARG 38 1.697 2.500 3.963 315 2HG ARG 38 HG3 ARG 38 0.801 1.846 2.589 316 1HD ARG 38 HD2 ARG 38 3.215 2.533 2.190 317 2HD ARG 38 HD3 ARG 38 2.034 3.096 1.045 318 HE ARG 38 HE ARG 38 2.209 5.272 2.061 319 1HH1 ARG 38 1HH1 ARG 38 4.578 2.932 3.086 320 2HH1 ARG 38 2HH1 ARG 38 5.750 4.124 3.545 321 1HH2 ARG 38 1HH2 ARG 38 3.764 6.851 2.643 322 2HH2 ARG 38 2HH2 ARG 38 5.285 6.347 3.296 323 H VAL 39 H VAL 39 -1.177 3.604 6.418 324 HA VAL 39 HA VAL 39 -3.150 5.501 6.771 325 HB VAL 39 HB VAL 39 -2.401 4.269 8.664 326 1HG1 VAL 39 1HG1 VAL 39 -0.086 3.952 7.860 327 2HG1 VAL 39 3HG1 VAL 39 0.287 5.596 8.379 328 3HG1 VAL 39 2HG1 VAL 39 -0.174 4.380 9.570 329 1HG2 VAL 39 3HG2 VAL 39 -3.213 6.524 9.154 330 2HG2 VAL 39 2HG2 VAL 39 -1.998 6.006 10.322 331 3HG2 VAL 39 1HG2 VAL 39 -1.565 7.141 9.043 332 H GLY 40 H GLY 40 -3.218 7.721 6.949 333 1HA GLY 40 HA3 GLY 40 -0.798 9.295 6.691 334 2HA GLY 40 HA2 GLY 40 -2.435 9.914 6.873 335 H PHE 41 H PHE 41 -2.428 7.591 4.520 336 HA PHE 41 HA PHE 41 -2.235 9.610 2.387 337 1HB PHE 41 HB2 PHE 41 -1.380 6.720 2.145 338 2HB PHE 41 HB3 PHE 41 -1.200 7.980 0.929 339 HD1 PHE 41 HD1 PHE 41 0.282 6.322 3.690 340 HD2 PHE 41 HD2 PHE 41 0.283 9.978 1.522 341 HE1 PHE 41 HE1 PHE 41 2.482 6.882 4.644 342 HE2 PHE 41 HE2 PHE 41 2.486 10.544 2.461 343 HZ PHE 41 HZ PHE 41 3.587 8.995 4.028 344 H VAL 42 H VAL 42 -4.165 7.612 4.060 345 HA VAL 42 HA VAL 42 -5.706 6.202 2.244 346 HB VAL 42 HB VAL 42 -6.748 7.612 4.708 347 1HG1 VAL 42 1HG1 VAL 42 -8.425 6.661 3.115 348 2HG1 VAL 42 3HG1 VAL 42 -7.709 5.075 3.404 349 3HG1 VAL 42 2HG1 VAL 42 -8.463 5.958 4.732 350 1HG2 VAL 42 1HG2 VAL 42 -4.646 6.138 4.927 351 2HG2 VAL 42 3HG2 VAL 42 -5.997 5.860 6.023 352 3HG2 VAL 42 2HG2 VAL 42 -5.751 4.794 4.642 353 H GLY 43 H GLY 43 -6.430 7.048 0.392 354 1HA GLY 43 HA3 GLY 43 -8.024 9.531 0.556 355 2HA GLY 43 HA2 GLY 43 -8.370 8.209 -0.550 356 H LYS 44 H LYS 44 -5.129 9.332 0.087 357 HA LYS 44 HA LYS 44 -4.914 11.163 -2.047 358 1HB LYS 44 HB2 LYS 44 -2.783 9.566 -0.617 359 2HB LYS 44 HB3 LYS 44 -2.482 10.929 -1.678 360 1HG LYS 44 HG2 LYS 44 -3.762 12.376 -0.150 361 2HG LYS 44 HG3 LYS 44 -3.977 10.997 0.932 362 1HD LYS 44 HD2 LYS 44 -2.157 12.107 1.855 363 2HD LYS 44 HD3 LYS 44 -1.400 10.844 0.882 364 1HE LYS 44 HE2 LYS 44 -1.833 13.685 -0.035 365 2HE LYS 44 HE3 LYS 44 -0.326 13.074 0.649 366 1HZ LYS 44 HZ2 LYS 44 -0.283 11.431 -1.186 367 2HZ LYS 44 HZ1 LYS 44 -1.622 12.203 -1.873 368 3HZ LYS 44 HZ3 LYS 44 -0.156 13.033 -1.710 369 H ASP 45 H ASP 45 -3.102 10.740 -3.772 370 HA ASP 45 HA ASP 45 -4.001 8.483 -5.334 371 1HB ASP 45 HB2 ASP 45 -2.159 10.805 -5.901 372 2HB ASP 45 HB3 ASP 45 -2.463 9.519 -7.057 373 H VAL 46 H VAL 46 -1.028 9.632 -3.813 374 HA VAL 46 HA VAL 46 0.139 6.962 -4.248 375 HB VAL 46 HB VAL 46 1.390 9.658 -4.550 376 1HG1 VAL 46 1HG1 VAL 46 2.862 7.160 -3.719 377 2HG1 VAL 46 3HG1 VAL 46 3.635 8.598 -4.387 378 3HG1 VAL 46 2HG1 VAL 46 2.782 8.690 -2.846 379 1HG2 VAL 46 1HG2 VAL 46 0.645 8.372 -6.504 380 2HG2 VAL 46 3HG2 VAL 46 2.391 8.622 -6.500 381 3HG2 VAL 46 2HG2 VAL 46 1.724 7.057 -6.032 382 H LEU 47 H LEU 47 0.821 5.909 -2.530 383 HA LEU 47 HA LEU 47 0.468 7.088 0.084 384 1HB LEU 47 HB2 LEU 47 1.568 4.359 -0.416 385 2HB LEU 47 HB3 LEU 47 0.593 4.921 0.922 386 HG LEU 47 HG LEU 47 -0.404 4.494 -1.898 387 1HD1 LEU 47 2HD1 LEU 47 -0.758 2.846 0.603 388 2HD1 LEU 47 1HD1 LEU 47 -1.641 2.598 -0.904 389 3HD1 LEU 47 3HD1 LEU 47 0.109 2.379 -0.861 390 1HD2 LEU 47 1HD2 LEU 47 -1.863 5.227 0.637 391 2HD2 LEU 47 3HD2 LEU 47 -1.636 6.251 -0.782 392 3HD2 LEU 47 2HD2 LEU 47 -2.629 4.797 -0.892 393 H SER 48 H SER 48 3.077 5.469 -1.681 394 HA SER 48 HA SER 48 5.165 5.812 0.069 395 1HB SER 48 HB2 SER 48 6.605 5.465 -1.812 396 2HB SER 48 HB3 SER 48 5.148 4.519 -2.092 397 HG SER 48 HG SER 48 5.249 5.542 -3.947 398 H ASP 49 H ASP 49 7.194 7.234 -0.718 399 HA ASP 49 HA ASP 49 6.486 9.920 -1.496 400 1HB ASP 49 HB2 ASP 49 7.321 9.288 1.331 401 2HB ASP 49 HB3 ASP 49 7.535 10.887 0.622 402 H GLU 50 H GLU 50 9.133 9.070 0.639 403 HA GLU 50 HA GLU 50 11.007 9.158 -1.619 404 1HB GLU 50 HB2 GLU 50 12.471 10.635 -0.376 405 2HB GLU 50 HB3 GLU 50 10.876 11.365 -0.518 406 1HG GLU 50 HG2 GLU 50 10.346 10.641 1.758 407 2HG GLU 50 HG3 GLU 50 11.967 9.962 1.907 408 H ILE 51 H ILE 51 10.236 8.096 1.610 409 HA ILE 51 HA ILE 51 12.689 6.718 2.104 410 HB ILE 51 HB ILE 51 10.028 6.186 3.412 411 1HG1 ILE 51 2HG1 ILE 51 10.566 8.617 3.390 412 2HG1 ILE 51 3HG1 ILE 51 10.530 7.922 5.004 413 1HG2 ILE 51 1HG2 ILE 51 12.870 5.844 4.352 414 2HG2 ILE 51 3HG2 ILE 51 11.436 5.588 5.347 415 3HG2 ILE 51 2HG2 ILE 51 11.729 4.563 3.943 416 1HD1 ILE 51 3HD1 ILE 51 13.027 8.450 3.413 417 2HD1 ILE 51 2HD1 ILE 51 12.385 9.499 4.677 418 3HD1 ILE 51 1HD1 ILE 51 12.941 7.873 5.078 419 H LEU 52 H LEU 52 9.450 5.284 1.978 420 HA LEU 52 HA LEU 52 10.606 2.952 0.614 421 1HB LEU 52 HB2 LEU 52 8.340 3.348 2.496 422 2HB LEU 52 HB3 LEU 52 8.183 2.074 1.302 423 HG LEU 52 HG LEU 52 10.500 2.290 3.214 424 1HD1 LEU 52 2HD1 LEU 52 7.997 0.626 3.420 425 2HD1 LEU 52 1HD1 LEU 52 9.411 0.481 4.465 426 3HD1 LEU 52 3HD1 LEU 52 8.455 1.963 4.476 427 1HD2 LEU 52 1HD2 LEU 52 10.878 1.036 1.111 428 2HD2 LEU 52 3HD2 LEU 52 10.980 0.029 2.555 429 3HD2 LEU 52 2HD2 LEU 52 9.536 -0.024 1.544 430 H GLU 53 H GLU 53 10.321 2.890 -1.527 431 HA GLU 53 HA GLU 53 8.347 4.412 -2.891 432 1HB GLU 53 HB2 GLU 53 10.527 2.592 -3.593 433 2HB GLU 53 HB3 GLU 53 9.145 2.451 -4.671 434 1HG GLU 53 HG2 GLU 53 9.964 5.193 -4.072 435 2HG GLU 53 HG3 GLU 53 11.155 4.235 -4.947 436 H VAL 54 H VAL 54 6.600 3.532 -1.446 437 HA VAL 54 HA VAL 54 5.686 0.865 -1.850 438 HB VAL 54 HB VAL 54 4.051 3.148 -0.771 439 1HG1 VAL 54 3HG1 VAL 54 2.839 1.098 -1.297 440 2HG1 VAL 54 2HG1 VAL 54 3.959 0.172 -0.299 441 3HG1 VAL 54 1HG1 VAL 54 2.899 1.369 0.445 442 1HG2 VAL 54 2HG2 VAL 54 6.199 1.524 0.539 443 2HG2 VAL 54 1HG2 VAL 54 5.953 3.269 0.568 444 3HG2 VAL 54 3HG2 VAL 54 4.874 2.210 1.478 445 H VAL 55 H VAL 55 5.523 0.729 -4.137 446 HA VAL 55 HA VAL 55 3.573 2.363 -5.500 447 HB VAL 55 HB VAL 55 4.899 -0.148 -6.505 448 1HG1 VAL 55 2HG1 VAL 55 2.860 0.679 -7.682 449 2HG1 VAL 55 1HG1 VAL 55 3.734 2.169 -8.036 450 3HG1 VAL 55 3HG1 VAL 55 4.309 0.634 -8.689 451 1HG2 VAL 55 3HG2 VAL 55 6.606 1.464 -5.834 452 2HG2 VAL 55 2HG2 VAL 55 6.540 1.321 -7.591 453 3HG2 VAL 55 1HG2 VAL 55 5.812 2.715 -6.790 454 H CYS 56 H CYS 56 1.747 1.931 -4.301 455 HA CYS 56 HA CYS 56 0.716 -0.809 -4.340 456 1HB CYS 56 HB2 CYS 56 0.755 0.132 -2.133 457 2HB CYS 56 HB3 CYS 56 -0.061 1.592 -2.684 458 HG CYS 56 HG CYS 56 -2.109 0.506 -1.424 459 H LYS 57 H LYS 57 -1.214 -1.332 -5.212 460 HA LYS 57 HA LYS 57 -2.728 0.770 -6.584 461 1HB LYS 57 HB2 LYS 57 -2.184 -1.934 -7.792 462 2HB LYS 57 HB3 LYS 57 -2.949 -0.555 -8.562 463 1HG LYS 57 HG2 LYS 57 -0.086 -0.569 -7.641 464 2HG LYS 57 HG3 LYS 57 -0.597 -0.991 -9.277 465 1HD LYS 57 HD2 LYS 57 -1.599 1.226 -9.537 466 2HD LYS 57 HD3 LYS 57 -1.095 1.648 -7.899 467 1HE LYS 57 HE2 LYS 57 1.244 1.362 -8.540 468 2HE LYS 57 HE3 LYS 57 0.748 0.922 -10.174 469 1HZ LYS 57 HZ1 LYS 57 0.256 3.545 -8.870 470 2HZ LYS 57 HZ3 LYS 57 1.430 3.234 -10.047 471 3HZ LYS 57 HZ2 LYS 57 -0.211 3.121 -10.439 472 H TYR 58 H TYR 58 -4.654 0.775 -5.713 473 HA TYR 58 HA TYR 58 -5.750 -1.557 -4.413 474 1HB TYR 58 HB2 TYR 58 -5.995 0.820 -3.547 475 2HB TYR 58 HB3 TYR 58 -7.109 1.107 -4.881 476 HD1 TYR 58 HD1 TYR 58 -7.198 0.849 -1.589 477 HD2 TYR 58 HD2 TYR 58 -8.752 -1.294 -4.938 478 HE1 TYR 58 HE1 TYR 58 -9.075 0.031 -0.218 479 HE2 TYR 58 HE2 TYR 58 -10.607 -2.131 -3.569 480 HH TYR 58 HH TYR 58 -11.069 -2.501 -1.123 481 H THR 59 H THR 59 -6.405 -3.100 -5.795 482 HA THR 59 HA THR 59 -7.942 -2.325 -8.173 483 HB THR 59 HB THR 59 -6.887 -5.078 -7.519 484 HG1 THR 59 HG1 THR 59 -5.230 -4.343 -9.151 485 1HG2 THR 59 3HG2 THR 59 -8.656 -4.939 -9.229 486 2HG2 THR 59 2HG2 THR 59 -7.674 -3.789 -10.137 487 3HG2 THR 59 1HG2 THR 59 -7.113 -5.447 -9.917 488 HA PRO 60 HA PRO 60 -11.453 -4.085 -5.956 489 1HB PRO 60 HB2 PRO 60 -13.241 -2.297 -6.764 490 2HB PRO 60 HB3 PRO 60 -11.976 -1.835 -5.625 491 1HG PRO 60 HG2 PRO 60 -12.260 -1.184 -8.503 492 2HG PRO 60 HG3 PRO 60 -11.442 -0.276 -7.220 493 1HD PRO 60 HD2 PRO 60 -10.290 -2.071 -9.137 494 2HD PRO 60 HD3 PRO 60 -9.469 -1.154 -7.858 495 H THR 61 H THR 61 -10.478 -5.253 -8.398 496 HA THR 61 HA THR 61 -12.000 -5.326 -10.622 497 HB THR 61 HB THR 61 -11.406 -8.026 -9.594 498 HG1 THR 61 HG1 THR 61 -9.213 -7.708 -9.491 499 1HG2 THR 61 1HG2 THR 61 -10.621 -6.481 -12.065 500 2HG2 THR 61 3HG2 THR 61 -10.220 -8.172 -11.767 501 3HG2 THR 61 2HG2 THR 61 -11.906 -7.682 -11.935 502 HA PRO 62 HA PRO 62 -16.141 -6.466 -9.521 503 1HB PRO 62 HB2 PRO 62 -16.314 -7.722 -12.183 504 2HB PRO 62 HB3 PRO 62 -17.251 -6.387 -11.508 505 1HG PRO 62 HG2 PRO 62 -15.403 -5.986 -13.409 506 2HG PRO 62 HG3 PRO 62 -15.684 -4.804 -12.117 507 1HD PRO 62 HD2 PRO 62 -13.491 -6.825 -12.396 508 2HD PRO 62 HD3 PRO 62 -13.414 -5.146 -11.820 509 H SER 63 H SER 63 -17.640 -8.488 -9.976 510 HA SER 63 HA SER 63 -16.455 -10.676 -8.619 511 1HB SER 63 HB2 SER 63 -19.090 -10.539 -10.107 512 2HB SER 63 HB3 SER 63 -18.619 -11.799 -8.965 513 HG SER 63 HG SER 63 -19.116 -9.062 -8.451 514 H SER 64 H SER 64 -17.280 -12.972 -9.748 515 HA SER 64 HA SER 64 -15.299 -13.498 -11.676 516 1HB SER 64 HB2 SER 64 -17.743 -15.132 -10.948 517 2HB SER 64 HB3 SER 64 -16.360 -15.722 -11.870 518 HG SER 64 HG SER 64 -16.337 -14.782 -9.191 519 H THR 65 H THR 65 -18.797 -13.964 -12.172 520 HA THR 65 HA THR 65 -18.409 -13.259 -14.985 521 HB THR 65 HB THR 65 -20.753 -14.671 -13.713 522 HG1 THR 65 HG1 THR 65 -18.665 -15.711 -15.355 523 1HG2 THR 65 2HG2 THR 65 -20.055 -14.210 -16.617 524 2HG2 THR 65 1HG2 THR 65 -21.396 -15.192 -16.026 525 3HG2 THR 65 3HG2 THR 65 -21.382 -13.453 -15.736 526 HA PRO 66 HA PRO 66 -22.208 -10.566 -13.663 527 1HB PRO 66 HB2 PRO 66 -22.088 -10.473 -10.738 528 2HB PRO 66 HB3 PRO 66 -23.451 -10.871 -11.787 529 1HG PRO 66 HG2 PRO 66 -22.224 -12.731 -10.271 530 2HG PRO 66 HG3 PRO 66 -22.907 -13.112 -11.862 531 1HD PRO 66 HD2 PRO 66 -20.053 -12.570 -11.109 532 2HD PRO 66 HD3 PRO 66 -20.708 -13.835 -12.172 533 H MET 67 H MET 67 -22.368 -8.544 -11.803 534 HA MET 67 HA MET 67 -19.707 -7.350 -11.606 535 1HB MET 67 HB2 MET 67 -22.036 -6.040 -13.027 536 2HB MET 67 HB3 MET 67 -20.534 -5.229 -12.605 537 1HG MET 67 HG2 MET 67 -19.298 -6.763 -14.049 538 2HG MET 67 HG3 MET 67 -20.805 -7.575 -14.472 539 1HE MET 67 HE2 MET 67 -18.755 -6.422 -16.630 540 2HE MET 67 HE1 MET 67 -20.262 -7.233 -17.055 541 3HE MET 67 HE3 MET 67 -19.871 -5.670 -17.771 542 H VAL 68 H VAL 68 -22.102 -8.346 -9.950 543 HA VAL 68 HA VAL 68 -22.863 -5.959 -8.493 544 HB VAL 68 HB VAL 68 -24.436 -7.875 -8.992 545 1HG1 VAL 68 1HG1 VAL 68 -22.914 -9.708 -8.472 546 2HG1 VAL 68 3HG1 VAL 68 -22.896 -9.222 -6.777 547 3HG1 VAL 68 2HG1 VAL 68 -24.388 -9.809 -7.511 548 1HG2 VAL 68 3HG2 VAL 68 -24.959 -6.151 -7.344 549 2HG2 VAL 68 2HG2 VAL 68 -25.585 -7.721 -6.843 550 3HG2 VAL 68 1HG2 VAL 68 -24.122 -7.077 -6.099 551 H GLY 69 H GLY 69 -20.068 -6.848 -8.535 552 1HA GLY 69 HA3 GLY 69 -19.096 -8.164 -6.368 553 2HA GLY 69 HA2 GLY 69 -19.560 -6.604 -5.707 554 H VAL 70 H VAL 70 -18.517 -4.702 -6.517 555 HA VAL 70 HA VAL 70 -16.218 -4.996 -8.241 556 HB VAL 70 HB VAL 70 -17.659 -2.995 -8.366 557 1HG1 VAL 70 2HG1 VAL 70 -18.220 -2.792 -6.002 558 2HG1 VAL 70 1HG1 VAL 70 -16.557 -2.332 -5.640 559 3HG1 VAL 70 3HG1 VAL 70 -17.565 -1.282 -6.635 560 1HG2 VAL 70 1HG2 VAL 70 -15.344 -2.872 -9.140 561 2HG2 VAL 70 3HG2 VAL 70 -15.890 -1.328 -8.487 562 3HG2 VAL 70 2HG2 VAL 70 -14.831 -2.364 -7.532 563 H GLY 71 H GLY 71 -15.767 -6.633 -6.177 564 1HA GLY 71 HA3 GLY 71 -14.714 -6.669 -3.974 565 2HA GLY 71 HA2 GLY 71 -13.908 -5.171 -4.411 566 H GLY 72 H GLY 72 -11.806 -5.568 -4.513 567 1HA GLY 72 HA3 GLY 72 -10.172 -6.472 -6.204 568 2HA GLY 72 HA2 GLY 72 -10.908 -8.030 -5.877 569 H ILE 73 H ILE 73 -8.297 -6.188 -5.224 570 HA ILE 73 HA ILE 73 -7.979 -7.027 -2.457 571 HB ILE 73 HB ILE 73 -5.724 -7.949 -2.926 572 1HG1 ILE 73 2HG1 ILE 73 -6.525 -8.381 -5.765 573 2HG1 ILE 73 3HG1 ILE 73 -5.734 -6.875 -5.298 574 1HG2 ILE 73 2HG2 ILE 73 -7.720 -9.355 -2.527 575 2HG2 ILE 73 1HG2 ILE 73 -7.886 -9.521 -4.276 576 3HG2 ILE 73 3HG2 ILE 73 -6.444 -10.137 -3.463 577 1HD1 ILE 73 3HD1 ILE 73 -3.863 -8.168 -4.374 578 2HD1 ILE 73 2HD1 ILE 73 -4.648 -9.655 -4.909 579 3HD1 ILE 73 1HD1 ILE 73 -4.103 -8.468 -6.097 580 H TYR 74 H TYR 74 -5.303 -6.521 -2.168 581 HA TYR 74 HA TYR 74 -4.966 -3.737 -3.035 582 1HB TYR 74 HB2 TYR 74 -4.127 -4.620 -0.292 583 2HB TYR 74 HB3 TYR 74 -4.504 -2.999 -0.871 584 HD1 TYR 74 HD1 TYR 74 -5.925 -6.163 0.351 585 HD2 TYR 74 HD2 TYR 74 -6.797 -2.209 -0.948 586 HE1 TYR 74 HE1 TYR 74 -8.193 -6.377 1.252 587 HE2 TYR 74 HE2 TYR 74 -9.073 -2.422 -0.036 588 HH TYR 74 HH TYR 74 -10.006 -4.917 2.043 589 H VAL 75 H VAL 75 -3.343 -4.092 -4.494 590 HA VAL 75 HA VAL 75 -1.126 -5.849 -3.847 591 HB VAL 75 HB VAL 75 -1.693 -4.173 -6.297 592 1HG1 VAL 75 3HG1 VAL 75 0.560 -6.114 -5.783 593 2HG1 VAL 75 2HG1 VAL 75 0.175 -5.391 -7.345 594 3HG1 VAL 75 1HG1 VAL 75 0.706 -4.371 -6.009 595 1HG2 VAL 75 3HG2 VAL 75 -3.184 -6.086 -6.001 596 2HG2 VAL 75 2HG2 VAL 75 -2.104 -6.324 -7.376 597 3HG2 VAL 75 1HG2 VAL 75 -1.788 -7.153 -5.852 598 H VAL 76 H VAL 76 0.306 -5.057 -2.454 599 HA VAL 76 HA VAL 76 1.157 -2.254 -2.767 600 HB VAL 76 HB VAL 76 1.535 -4.016 -0.347 601 1HG1 VAL 76 3HG1 VAL 76 1.963 -1.073 -0.838 602 2HG1 VAL 76 2HG1 VAL 76 1.954 -1.813 0.763 603 3HG1 VAL 76 1HG1 VAL 76 3.177 -2.282 -0.419 604 1HG2 VAL 76 1HG2 VAL 76 -0.849 -3.588 -0.805 605 2HG2 VAL 76 3HG2 VAL 76 -0.297 -2.806 0.676 606 3HG2 VAL 76 2HG2 VAL 76 -0.523 -1.855 -0.791 607 H LEU 77 H LEU 77 3.071 -1.914 -3.670 608 HA LEU 77 HA LEU 77 5.143 -3.996 -3.457 609 1HB LEU 77 HB2 LEU 77 4.755 -1.812 -5.504 610 2HB LEU 77 HB3 LEU 77 6.192 -2.814 -5.416 611 HG LEU 77 HG LEU 77 3.376 -3.783 -5.968 612 1HD1 LEU 77 1HD1 LEU 77 5.782 -3.548 -7.769 613 2HD1 LEU 77 3HD1 LEU 77 4.234 -4.271 -8.206 614 3HD1 LEU 77 2HD1 LEU 77 4.331 -2.548 -7.835 615 1HD2 LEU 77 1HD2 LEU 77 5.078 -5.293 -4.700 616 2HD2 LEU 77 3HD2 LEU 77 4.161 -5.945 -6.059 617 3HD2 LEU 77 2HD2 LEU 77 5.835 -5.442 -6.287 618 H VAL 78 H VAL 78 6.297 -3.479 -1.675 619 HA VAL 78 HA VAL 78 6.962 -0.666 -1.220 620 HB VAL 78 HB VAL 78 8.073 -2.425 0.762 621 1HG1 VAL 78 1HG1 VAL 78 5.889 -0.330 0.859 622 2HG1 VAL 78 3HG1 VAL 78 6.700 -1.030 2.263 623 3HG1 VAL 78 2HG1 VAL 78 7.618 -0.060 1.114 624 1HG2 VAL 78 1HG2 VAL 78 6.317 -3.977 0.073 625 2HG2 VAL 78 3HG2 VAL 78 6.012 -3.336 1.687 626 3HG2 VAL 78 2HG2 VAL 78 5.109 -2.714 0.306 627 H LYS 79 H LYS 79 8.657 -0.021 -2.364 628 HA LYS 79 HA LYS 79 11.004 -1.778 -2.541 629 1HB LYS 79 HB2 LYS 79 9.868 0.316 -4.325 630 2HB LYS 79 HB3 LYS 79 11.611 0.088 -4.326 631 1HG LYS 79 HG2 LYS 79 11.275 -2.294 -4.840 632 2HG LYS 79 HG3 LYS 79 9.525 -2.008 -4.927 633 1HD LYS 79 HD2 LYS 79 11.593 -0.627 -6.644 634 2HD LYS 79 HD3 LYS 79 10.636 -2.021 -7.148 635 1HE LYS 79 HE2 LYS 79 8.583 -0.726 -6.823 636 2HE LYS 79 HE3 LYS 79 9.542 0.667 -6.325 637 1HZ LYS 79 HZ2 LYS 79 10.562 0.700 -8.518 638 2HZ LYS 79 HZ1 LYS 79 9.632 -0.631 -8.995 639 3HZ LYS 79 HZ3 LYS 79 8.880 0.842 -8.635 640 HA PRO 80 HA PRO 80 12.577 1.018 0.691 641 1HB PRO 80 HB2 PRO 80 14.948 -0.698 0.132 642 2HB PRO 80 HB3 PRO 80 14.226 -0.239 1.679 643 1HG PRO 80 HG2 PRO 80 13.865 -2.680 0.669 644 2HG PRO 80 HG3 PRO 80 12.567 -1.841 1.532 645 1HD PRO 80 HD2 PRO 80 12.908 -2.307 -1.390 646 2HD PRO 80 HD3 PRO 80 11.424 -2.229 -0.420 647 H ARG 81 H ARG 81 12.706 2.911 -0.514 648 HA ARG 81 HA ARG 81 14.481 3.332 -2.663 649 1HB ARG 81 HB2 ARG 81 12.513 4.821 -1.236 650 2HB ARG 81 HB3 ARG 81 13.970 5.799 -1.344 651 1HG ARG 81 HG2 ARG 81 13.978 5.564 -3.752 652 2HG ARG 81 HG3 ARG 81 12.580 4.490 -3.669 653 1HD ARG 81 HD2 ARG 81 11.208 6.270 -2.790 654 2HD ARG 81 HD3 ARG 81 12.602 7.350 -2.717 655 HE ARG 81 HE ARG 81 12.584 6.806 -5.298 656 1HH1 ARG 81 1HH1 ARG 81 9.905 7.512 -3.187 657 2HH1 ARG 81 2HH1 ARG 81 8.948 8.241 -4.434 658 1HH2 ARG 81 1HH2 ARG 81 11.332 7.764 -6.945 659 2HH2 ARG 81 2HH2 ARG 81 9.759 8.384 -6.569 660 H LYS 82 H LYS 82 14.732 4.025 0.803 661 HA LYS 82 HA LYS 82 17.579 4.666 0.394 662 1HB LYS 82 HB2 LYS 82 15.849 5.526 2.717 663 2HB LYS 82 HB3 LYS 82 17.487 6.055 2.362 664 1HG LYS 82 HG2 LYS 82 16.651 7.102 0.280 665 2HG LYS 82 HG3 LYS 82 15.011 6.662 0.764 666 1HD LYS 82 HD2 LYS 82 15.247 7.996 2.797 667 2HD LYS 82 HD3 LYS 82 16.892 8.430 2.325 668 1HE LYS 82 HE2 LYS 82 16.001 9.500 0.294 669 2HE LYS 82 HE3 LYS 82 14.364 9.110 0.825 670 1HZ LYS 82 HZ1 LYS 82 16.282 10.848 2.282 671 2HZ LYS 82 HZ3 LYS 82 14.960 11.386 1.373 672 3HZ LYS 82 HZ2 LYS 82 14.707 10.482 2.780 673 H ARG 83 H ARG 83 18.862 4.276 2.513 674 HA ARG 83 HA ARG 83 18.206 1.564 3.448 675 1HB ARG 83 HB2 ARG 83 20.887 2.958 3.394 676 2HB ARG 83 HB3 ARG 83 20.597 1.289 3.861 677 1HG ARG 83 HG2 ARG 83 19.921 0.728 1.621 678 2HG ARG 83 HG3 ARG 83 20.058 2.418 1.126 679 1HD ARG 83 HD2 ARG 83 22.023 1.280 0.394 680 2HD ARG 83 HD3 ARG 83 22.466 2.327 1.742 681 HE ARG 83 HE ARG 83 21.875 -0.217 2.748 682 1HH1 ARG 83 1HH1 ARG 83 24.267 1.373 0.776 683 2HH1 ARG 83 2HH1 ARG 83 25.541 0.286 1.217 684 1HH2 ARG 83 1HH2 ARG 83 23.546 -1.654 3.335 685 2HH2 ARG 83 2HH2 ARG 83 25.131 -1.434 2.671 686 H GLY 84 H GLY 84 17.668 1.297 5.517 687 1HA GLY 84 HA3 GLY 84 17.847 3.559 7.331 688 2HA GLY 84 HA2 GLY 84 18.802 2.155 7.787 689 H HIS 85 H HIS 85 16.286 3.554 8.859 690 HA HIS 85 HA HIS 85 14.843 1.062 9.386 691 1HB HIS 85 HB2 HIS 85 14.718 3.733 10.801 692 2HB HIS 85 HB3 HIS 85 13.836 2.286 11.279 693 HD1 HIS 85 HD1 HIS 85 17.071 3.975 11.642 694 HD2 HIS 85 HD2 HIS 85 15.540 0.159 12.243 695 HE1 HIS 85 HE1 HIS 85 18.762 2.790 13.078 696 HE2 HIS 85 HE2 HIS 85 17.855 0.456 13.358 697 H HIS 86 H HIS 86 13.500 0.815 7.657 698 HA HIS 86 HA HIS 86 11.568 2.979 7.139 699 1HB HIS 86 HB2 HIS 86 12.400 0.701 5.326 700 2HB HIS 86 HB3 HIS 86 11.234 1.957 4.926 701 HD1 HIS 86 HD1 HIS 86 13.871 3.570 6.705 702 HD2 HIS 86 HD2 HIS 86 13.364 2.210 2.813 703 HE1 HIS 86 HE1 HIS 86 15.595 4.786 5.338 704 HE2 HIS 86 HE2 HIS 86 15.196 4.027 2.971 705 H THR 87 H THR 87 9.358 2.245 6.541 706 HA THR 87 HA THR 87 8.559 -0.405 7.333 707 HB THR 87 HB THR 87 7.637 1.934 9.011 708 HG1 THR 87 HG1 THR 87 9.444 1.411 10.019 709 1HG2 THR 87 1HG2 THR 87 5.891 0.234 8.597 710 2HG2 THR 87 3HG2 THR 87 6.972 -1.004 9.237 711 3HG2 THR 87 2HG2 THR 87 6.392 0.287 10.288 712 H LEU 88 H LEU 88 6.524 -0.958 6.638 713 HA LEU 88 HA LEU 88 5.220 0.989 4.875 714 1HB LEU 88 HB2 LEU 88 5.819 -1.042 3.762 715 2HB LEU 88 HB3 LEU 88 5.104 -2.014 5.029 716 HG LEU 88 HG LEU 88 2.865 -1.061 4.367 717 1HD1 LEU 88 1HD1 LEU 88 3.693 0.924 3.208 718 2HD1 LEU 88 3HD1 LEU 88 4.422 -0.103 1.973 719 3HD1 LEU 88 2HD1 LEU 88 2.670 -0.060 2.161 720 1HD2 LEU 88 3HD2 LEU 88 4.434 -2.677 2.373 721 2HD2 LEU 88 2HD2 LEU 88 3.466 -3.286 3.713 722 3HD2 LEU 88 1HD2 LEU 88 2.683 -2.492 2.347 723 H GLU 89 H GLU 89 3.997 2.137 6.333 724 HA GLU 89 HA GLU 89 2.387 0.875 8.313 725 1HB GLU 89 HB2 GLU 89 2.418 3.698 7.260 726 2HB GLU 89 HB3 GLU 89 1.467 3.155 8.637 727 1HG GLU 89 HG2 GLU 89 3.447 2.575 9.837 728 2HG GLU 89 HG3 GLU 89 4.458 2.982 8.454 729 H LEU 90 H LEU 90 1.057 -0.588 7.207 730 HA LEU 90 HA LEU 90 -0.995 0.619 5.483 731 1HB LEU 90 HB2 LEU 90 -0.120 -2.238 5.851 732 2HB LEU 90 HB3 LEU 90 -1.615 -1.821 5.044 733 HG LEU 90 HG LEU 90 1.152 -1.010 4.151 734 1HD1 LEU 90 3HD1 LEU 90 -0.807 -3.038 3.093 735 2HD1 LEU 90 2HD1 LEU 90 0.634 -2.500 2.232 736 3HD1 LEU 90 1HD1 LEU 90 0.791 -3.350 3.769 737 1HD2 LEU 90 2HD2 LEU 90 -1.544 -0.524 2.892 738 2HD2 LEU 90 1HD2 LEU 90 -0.479 0.697 3.587 739 3HD2 LEU 90 3HD2 LEU 90 0.013 -0.182 2.138 740 H VAL 91 H VAL 91 -2.931 1.004 6.303 741 HA VAL 91 HA VAL 91 -3.760 -0.496 8.699 742 HB VAL 91 HB VAL 91 -3.074 1.800 9.269 743 1HG1 VAL 91 3HG1 VAL 91 -5.254 2.599 7.346 744 2HG1 VAL 91 2HG1 VAL 91 -4.467 3.695 8.482 745 3HG1 VAL 91 1HG1 VAL 91 -3.527 2.930 7.202 746 1HG2 VAL 91 1HG2 VAL 91 -6.032 1.278 9.520 747 2HG2 VAL 91 3HG2 VAL 91 -4.767 0.758 10.634 748 3HG2 VAL 91 2HG2 VAL 91 -5.133 2.473 10.453 749 H TYR 92 H TYR 92 -6.062 -0.637 9.034 750 HA TYR 92 HA TYR 92 -7.575 -0.718 6.517 751 1HB TYR 92 HB2 TYR 92 -7.250 -2.754 8.118 752 2HB TYR 92 HB3 TYR 92 -8.469 -1.959 9.107 753 HD1 TYR 92 HD1 TYR 92 -10.307 -3.383 8.951 754 HD2 TYR 92 HD2 TYR 92 -8.306 -2.186 5.393 755 HE1 TYR 92 HE1 TYR 92 -12.075 -4.440 7.608 756 HE2 TYR 92 HE2 TYR 92 -10.070 -3.238 4.040 757 HH TYR 92 HH TYR 92 -11.764 -4.995 4.273 758 H THR 93 H THR 93 -8.255 1.425 6.371 759 HA THR 93 HA THR 93 -9.987 2.389 8.565 760 HB THR 93 HB THR 93 -7.987 3.730 8.470 761 HG1 THR 93 HG1 THR 93 -9.983 5.251 7.146 762 1HG2 THR 93 1HG2 THR 93 -8.595 3.765 5.542 763 2HG2 THR 93 3HG2 THR 93 -7.710 5.107 6.271 764 3HG2 THR 93 2HG2 THR 93 -7.062 3.468 6.366 765 H ARG 94 H ARG 94 -11.567 4.076 7.866 766 HA ARG 94 HA ARG 94 -12.797 3.280 5.323 767 1HB ARG 94 HB2 ARG 94 -13.975 4.818 7.648 768 2HB ARG 94 HB3 ARG 94 -14.848 4.304 6.211 769 1HG ARG 94 HG2 ARG 94 -14.434 1.963 6.808 770 2HG ARG 94 HG3 ARG 94 -13.598 2.498 8.268 771 1HD ARG 94 HD2 ARG 94 -15.894 1.854 8.764 772 2HD ARG 94 HD3 ARG 94 -15.641 3.574 9.054 773 HE ARG 94 HE ARG 94 -16.604 3.259 6.450 774 1HH1 ARG 94 1HH1 ARG 94 -17.679 2.835 9.737 775 2HH1 ARG 94 2HH1 ARG 94 -19.345 3.138 9.367 776 1HH2 ARG 94 1HH2 ARG 94 -18.794 3.658 5.953 777 2HH2 ARG 94 2HH2 ARG 94 -19.977 3.605 7.217 778 HA PRO 95 HA PRO 95 -10.780 7.172 3.909 779 1HB PRO 95 HB2 PRO 95 -12.298 6.193 1.523 780 2HB PRO 95 HB3 PRO 95 -10.670 6.868 1.617 781 1HG PRO 95 HG2 PRO 95 -11.025 4.244 1.368 782 2HG PRO 95 HG3 PRO 95 -9.761 4.889 2.427 783 1HD PRO 95 HD2 PRO 95 -12.378 3.667 3.134 784 2HD PRO 95 HD3 PRO 95 -10.836 3.628 4.007 785 H PHE 96 H PHE 96 -14.116 6.109 3.657 786 HA PHE 96 HA PHE 96 -15.199 8.605 2.871 787 1HB PHE 96 HB2 PHE 96 -16.465 6.178 4.149 788 2HB PHE 96 HB3 PHE 96 -17.345 7.528 3.462 789 HD1 PHE 96 HD1 PHE 96 -15.016 4.787 2.640 790 HD2 PHE 96 HD2 PHE 96 -17.799 7.647 1.161 791 HE1 PHE 96 HE1 PHE 96 -14.950 3.703 0.433 792 HE2 PHE 96 HE2 PHE 96 -17.741 6.566 -1.049 793 HZ PHE 96 HZ PHE 96 -16.316 4.590 -1.414 794 H GLU 97 H GLU 97 -14.834 6.940 5.982 795 HA GLU 97 HA GLU 97 -15.957 9.248 7.382 796 1HB GLU 97 HB2 GLU 97 -15.051 6.568 8.455 797 2HB GLU 97 HB3 GLU 97 -15.853 7.825 9.386 798 1HG GLU 97 HG2 GLU 97 -17.033 6.339 7.049 799 2HG GLU 97 HG3 GLU 97 -17.395 6.053 8.751 800 H GLY 98 H GLY 98 -13.187 7.117 8.053 801 1HA GLY 98 HA3 GLY 98 -11.778 9.234 9.400 802 2HA GLY 98 HA2 GLY 98 -11.079 8.833 7.837 803 H ILE 99 H ILE 99 -9.354 8.465 9.657 804 HA ILE 99 HA ILE 99 -9.268 5.564 10.009 805 HB ILE 99 HB ILE 99 -6.943 7.382 10.491 806 1HG1 ILE 99 2HG1 ILE 99 -7.617 6.243 7.781 807 2HG1 ILE 99 3HG1 ILE 99 -8.093 7.874 8.249 808 1HG2 ILE 99 1HG2 ILE 99 -7.444 4.508 10.045 809 2HG2 ILE 99 3HG2 ILE 99 -6.002 5.171 9.270 810 3HG2 ILE 99 2HG2 ILE 99 -6.205 5.307 11.017 811 1HD1 ILE 99 2HD1 ILE 99 -5.735 8.439 8.603 812 2HD1 ILE 99 1HD1 ILE 99 -5.277 6.811 8.103 813 3HD1 ILE 99 3HD1 ILE 99 -6.048 7.902 6.952 814 H LYS 100 H LYS 100 -8.966 4.583 11.953 815 HA LYS 100 HA LYS 100 -8.726 6.252 14.345 816 1HB LYS 100 HB2 LYS 100 -10.915 4.228 13.855 817 2HB LYS 100 HB3 LYS 100 -10.575 4.958 15.415 818 1HG LYS 100 HG2 LYS 100 -11.173 7.124 14.623 819 2HG LYS 100 HG3 LYS 100 -11.277 6.544 12.959 820 1HD LYS 100 HD2 LYS 100 -13.023 5.485 15.170 821 2HD LYS 100 HD3 LYS 100 -13.477 6.865 14.169 822 1HE LYS 100 HE2 LYS 100 -13.405 5.516 12.178 823 2HE LYS 100 HE3 LYS 100 -12.766 4.143 13.088 824 1HZ LYS 100 HZ3 LYS 100 -15.450 5.362 13.458 825 2HZ LYS 100 HZ2 LYS 100 -15.130 3.902 12.665 826 3HZ LYS 100 HZ1 LYS 100 -14.838 4.043 14.324 827 HA PRO 101 HA PRO 101 -6.031 3.151 15.910 828 1HB PRO 101 HB2 PRO 101 -6.830 2.932 18.522 829 2HB PRO 101 HB3 PRO 101 -5.852 4.262 17.896 830 1HG PRO 101 HG2 PRO 101 -8.797 4.153 18.405 831 2HG PRO 101 HG3 PRO 101 -7.650 5.461 18.743 832 1HD PRO 101 HD2 PRO 101 -9.284 5.527 16.613 833 2HD PRO 101 HD3 PRO 101 -7.638 6.192 16.554 834 H GLU 102 H GLU 102 -9.435 2.680 16.739 835 HA GLU 102 HA GLU 102 -9.261 -0.041 17.428 836 1HB GLU 102 HB2 GLU 102 -11.724 -0.060 17.008 837 2HB GLU 102 HB3 GLU 102 -11.178 1.204 18.103 838 1HG GLU 102 HG2 GLU 102 -11.252 2.812 16.287 839 2HG GLU 102 HG3 GLU 102 -11.793 1.550 15.187 840 H ASN 103 H ASN 103 -8.538 1.277 14.545 841 HA ASN 103 HA ASN 103 -9.806 -0.672 12.823 842 1HB ASN 103 HB2 ASN 103 -7.845 1.567 12.334 843 2HB ASN 103 HB3 ASN 103 -8.366 0.467 11.064 844 1HD2 ASN 103 1HD2 ASN 103 -10.564 1.356 13.584 845 2HD2 ASN 103 2HD2 ASN 103 -11.557 2.400 12.633 846 H GLU 104 H GLU 104 -8.575 -2.085 11.404 847 HA GLU 104 HA GLU 104 -6.684 -3.634 12.783 848 1HB GLU 104 HB2 GLU 104 -7.989 -3.646 10.158 849 2HB GLU 104 HB3 GLU 104 -6.395 -4.377 10.178 850 1HG GLU 104 HG2 GLU 104 -7.833 -6.146 10.612 851 2HG GLU 104 HG3 GLU 104 -7.226 -5.695 12.202 852 H ARG 105 H ARG 105 -4.516 -4.212 11.831 853 HA ARG 105 HA ARG 105 -3.150 -1.849 10.730 854 1HB ARG 105 HB2 ARG 105 -2.830 -1.898 13.169 855 2HB ARG 105 HB3 ARG 105 -2.202 -3.530 13.057 856 1HG ARG 105 HG2 ARG 105 -0.251 -2.350 13.201 857 2HG ARG 105 HG3 ARG 105 -0.460 -2.418 11.446 858 1HD ARG 105 HD2 ARG 105 0.102 -0.166 12.082 859 2HD ARG 105 HD3 ARG 105 -1.573 -0.214 11.526 860 HE ARG 105 HE ARG 105 -1.601 -0.573 14.281 861 1HH1 ARG 105 1HH1 ARG 105 -0.712 1.897 11.986 862 2HH1 ARG 105 2HH1 ARG 105 -1.065 3.206 13.062 863 1HH2 ARG 105 1HH2 ARG 105 -2.069 1.148 15.704 864 2HH2 ARG 105 2HH2 ARG 105 -1.837 2.781 15.176 865 H TYR 106 H TYR 106 -1.005 -2.332 9.867 866 HA TYR 106 HA TYR 106 -0.037 -4.946 9.456 867 1HB TYR 106 HB2 TYR 106 -1.987 -5.017 7.899 868 2HB TYR 106 HB3 TYR 106 -1.269 -3.681 6.998 869 HD1 TYR 106 HD1 TYR 106 0.608 -4.076 5.524 870 HD2 TYR 106 HD2 TYR 106 -0.985 -7.220 7.900 871 HE1 TYR 106 HE1 TYR 106 1.871 -5.712 4.195 872 HE2 TYR 106 HE2 TYR 106 0.270 -8.861 6.584 873 HH TYR 106 HH TYR 106 1.287 -9.053 4.353 874 H THR 107 H THR 107 1.522 -3.435 10.449 875 HA THR 107 HA THR 107 2.812 -1.573 8.619 876 HB THR 107 HB THR 107 4.163 -1.865 11.151 877 HG1 THR 107 HG1 THR 107 2.538 -1.749 12.527 878 1HG2 THR 107 3HG2 THR 107 4.175 0.108 9.611 879 2HG2 THR 107 2HG2 THR 107 2.509 0.426 10.096 880 3HG2 THR 107 1HG2 THR 107 3.805 0.503 11.290 881 H LEU 108 H LEU 108 3.827 -2.983 7.139 882 HA LEU 108 HA LEU 108 5.515 -5.111 8.000 883 1HB LEU 108 HB2 LEU 108 4.560 -5.197 5.796 884 2HB LEU 108 HB3 LEU 108 5.298 -3.674 5.360 885 HG LEU 108 HG LEU 108 7.503 -4.672 5.376 886 1HD1 LEU 108 2HD1 LEU 108 6.112 -7.209 6.226 887 2HD1 LEU 108 1HD1 LEU 108 7.811 -7.069 5.777 888 3HD1 LEU 108 3HD1 LEU 108 7.206 -6.238 7.211 889 1HD2 LEU 108 1HD2 LEU 108 6.178 -4.841 3.329 890 2HD2 LEU 108 3HD2 LEU 108 7.266 -6.216 3.519 891 3HD2 LEU 108 2HD2 LEU 108 5.547 -6.398 3.869 892 H HIS 109 H HIS 109 6.939 -4.295 9.502 893 HA HIS 109 HA HIS 109 8.582 -2.017 8.992 894 1HB HIS 109 HB2 HIS 109 8.480 -4.103 11.119 895 2HB HIS 109 HB3 HIS 109 9.864 -3.022 11.014 896 HD1 HIS 109 HD1 HIS 109 9.549 -0.636 11.815 897 HD2 HIS 109 HD2 HIS 109 6.020 -2.829 11.775 898 HE1 HIS 109 HE1 HIS 109 7.861 0.787 13.018 899 HE2 HIS 109 HE2 HIS 109 5.756 -0.598 13.057 900 H LEU 110 H LEU 110 10.585 -1.876 8.250 901 HA LEU 110 HA LEU 110 12.066 -4.293 7.552 902 1HB LEU 110 HB2 LEU 110 11.455 -2.062 5.614 903 2HB LEU 110 HB3 LEU 110 12.521 -3.415 5.295 904 HG LEU 110 HG LEU 110 9.547 -3.616 5.805 905 1HD1 LEU 110 1HD1 LEU 110 11.133 -3.845 3.250 906 2HD1 LEU 110 3HD1 LEU 110 9.409 -4.177 3.421 907 3HD1 LEU 110 2HD1 LEU 110 10.023 -2.543 3.679 908 1HD2 LEU 110 2HD2 LEU 110 10.913 -5.586 6.514 909 2HD2 LEU 110 1HD2 LEU 110 9.739 -5.925 5.241 910 3HD2 LEU 110 3HD2 LEU 110 11.445 -5.744 4.840 911 H ASN 111 H ASN 111 13.822 -3.937 8.817 912 HA ASN 111 HA ASN 111 15.010 -1.331 9.084 913 1HB ASN 111 HB2 ASN 111 15.033 -3.064 10.908 914 2HB ASN 111 HB3 ASN 111 16.147 -4.011 9.924 915 1HD2 ASN 111 1HD2 ASN 111 16.527 -2.859 12.562 916 2HD2 ASN 111 2HD2 ASN 111 17.899 -1.816 12.442 917 H VAL 112 H VAL 112 15.060 -1.294 6.641 918 HA VAL 112 HA VAL 112 16.587 -2.765 4.956 919 HB VAL 112 HB VAL 112 16.813 0.207 4.725 920 1HG1 VAL 112 2HG1 VAL 112 17.738 -1.281 3.000 921 2HG1 VAL 112 1HG1 VAL 112 16.128 -1.956 2.746 922 3HG1 VAL 112 3HG1 VAL 112 16.440 -0.260 2.377 923 1HG2 VAL 112 1HG2 VAL 112 14.262 -1.374 4.507 924 2HG2 VAL 112 3HG2 VAL 112 14.577 0.055 5.493 925 3HG2 VAL 112 2HG2 VAL 112 14.491 0.196 3.737 926 H LYS 113 H LYS 113 18.618 -3.436 5.045 927 HA LYS 113 HA LYS 113 20.576 -2.082 6.674 928 1HB LYS 113 HB2 LYS 113 20.853 -4.518 4.908 929 2HB LYS 113 HB3 LYS 113 22.039 -3.958 6.079 930 1HG LYS 113 HG2 LYS 113 19.242 -4.839 6.762 931 2HG LYS 113 HG3 LYS 113 20.679 -5.856 6.881 932 1HD LYS 113 HD2 LYS 113 21.650 -4.302 8.499 933 2HD LYS 113 HD3 LYS 113 20.224 -3.271 8.371 934 1HE LYS 113 HE2 LYS 113 18.830 -5.093 9.218 935 2HE LYS 113 HE3 LYS 113 20.255 -6.124 9.345 936 1HZ LYS 113 HZ1 LYS 113 21.182 -4.575 10.955 937 2HZ LYS 113 HZ3 LYS 113 19.807 -3.596 10.837 938 3HZ LYS 113 HZ2 LYS 113 19.683 -5.157 11.477 No H/Q in entry = 938 Start of MODEL 2 1 H1 GLY -2 HT2 GLY -2 -16.091 4.299 21.425 2 H2 GLY -2 HT1 GLY -2 -16.104 4.254 19.735 3 H3 GLY -2 HT3 GLY -2 -15.144 3.164 20.604 4 1HA GLY -2 HA2 GLY -2 -14.777 6.108 20.507 5 2HA GLY -2 HA3 GLY -2 -13.794 4.929 19.653 6 H SER -1 H SER -1 -12.099 4.012 20.672 7 HA SER -1 HA SER -1 -11.571 4.912 23.408 8 1HB SER -1 HB2 SER -1 -12.499 2.657 23.639 9 2HB SER -1 HB3 SER -1 -11.313 2.037 22.489 10 HG SER -1 HG SER -1 -10.597 3.342 24.899 11 H HIS 0 H HIS 0 -9.408 5.200 23.903 12 HA HIS 0 HA HIS 0 -7.550 4.914 21.633 13 1HB HIS 0 HB2 HIS 0 -7.531 6.988 23.837 14 2HB HIS 0 HB3 HIS 0 -6.336 6.858 22.550 15 HD1 HIS 0 HD1 HIS 0 -6.880 7.954 20.353 16 HD2 HIS 0 HD2 HIS 0 -10.137 7.813 22.929 17 HE1 HIS 0 HE1 HIS 0 -8.655 9.371 19.272 18 HE2 HIS 0 HE2 HIS 0 -10.647 9.196 20.804 19 H MET 1 H MET 1 -6.116 3.355 21.945 20 HA MET 1 HA MET 1 -4.930 3.040 24.614 21 1HB MET 1 HB2 MET 1 -5.844 0.783 22.821 22 2HB MET 1 HB3 MET 1 -4.945 0.587 24.319 23 1HG MET 1 HG2 MET 1 -6.800 1.588 25.559 24 2HG MET 1 HG3 MET 1 -7.702 1.767 24.055 25 1HE MET 1 HE2 MET 1 -8.584 -0.272 22.606 26 2HE MET 1 HE1 MET 1 -6.949 -0.931 22.530 27 3HE MET 1 HE3 MET 1 -8.295 -1.963 23.017 28 H ILE 2 H ILE 2 -4.634 2.961 21.170 29 HA ILE 2 HA ILE 2 -2.852 2.906 19.756 30 HB ILE 2 HB ILE 2 -1.059 3.493 22.103 31 1HG1 ILE 2 2HG1 ILE 2 -2.746 5.501 20.589 32 2HG1 ILE 2 3HG1 ILE 2 -3.089 4.939 22.221 33 1HG2 ILE 2 3HG2 ILE 2 -1.009 4.299 19.197 34 2HG2 ILE 2 2HG2 ILE 2 0.144 4.841 20.417 35 3HG2 ILE 2 1HG2 ILE 2 0.053 3.133 19.986 36 1HD1 ILE 2 2HD1 ILE 2 -0.973 5.882 22.989 37 2HD1 ILE 2 1HD1 ILE 2 -0.638 6.453 21.354 38 3HD1 ILE 2 3HD1 ILE 2 -2.008 7.105 22.252 39 H ALA 3 H ALA 3 -3.535 0.568 21.688 40 HA ALA 3 HA ALA 3 -1.202 -1.051 20.937 41 1HB ALA 3 HB2 ALA 3 -2.602 -1.188 23.607 42 2HB ALA 3 HB3 ALA 3 -1.003 -0.500 23.315 43 3HB ALA 3 HB1 ALA 3 -1.280 -2.225 23.071 44 HA PRO 4 HA PRO 4 -4.003 -3.962 19.173 45 1HB PRO 4 HB2 PRO 4 -2.521 -6.070 20.661 46 2HB PRO 4 HB3 PRO 4 -2.866 -5.943 18.933 47 1HG PRO 4 HG2 PRO 4 -0.427 -5.433 19.871 48 2HG PRO 4 HG3 PRO 4 -1.121 -4.458 18.562 49 1HD PRO 4 HD2 PRO 4 -0.808 -3.798 21.460 50 2HD PRO 4 HD3 PRO 4 -0.632 -2.750 20.037 51 H LEU 5 H LEU 5 -5.891 -4.993 19.674 52 HA LEU 5 HA LEU 5 -6.436 -5.492 22.525 53 1HB LEU 5 HB2 LEU 5 -7.562 -3.450 21.785 54 2HB LEU 5 HB3 LEU 5 -8.316 -4.327 20.469 55 HG LEU 5 HG LEU 5 -9.519 -5.719 22.153 56 1HD1 LEU 5 2HD1 LEU 5 -7.969 -5.448 24.015 57 2HD1 LEU 5 1HD1 LEU 5 -8.371 -3.733 24.110 58 3HD1 LEU 5 3HD1 LEU 5 -9.599 -4.949 24.469 59 1HD2 LEU 5 3HD2 LEU 5 -9.949 -2.743 22.350 60 2HD2 LEU 5 2HD2 LEU 5 -10.603 -3.810 21.108 61 3HD2 LEU 5 1HD2 LEU 5 -11.122 -3.984 22.784 62 H SER 6 H SER 6 -7.955 -6.088 19.350 63 HA SER 6 HA SER 6 -8.890 -8.676 20.235 64 1HB SER 6 HB2 SER 6 -10.322 -7.290 18.804 65 2HB SER 6 HB3 SER 6 -9.100 -7.324 17.532 66 HG SER 6 HG SER 6 -10.460 -9.582 18.588 67 H VAL 7 H VAL 7 -8.601 -10.552 18.623 68 HA VAL 7 HA VAL 7 -5.809 -11.122 18.471 69 HB VAL 7 HB VAL 7 -8.096 -12.691 17.269 70 1HG1 VAL 7 1HG1 VAL 7 -5.917 -13.323 16.384 71 2HG1 VAL 7 3HG1 VAL 7 -5.294 -13.517 18.023 72 3HG1 VAL 7 2HG1 VAL 7 -6.558 -14.592 17.426 73 1HG2 VAL 7 3HG2 VAL 7 -6.830 -12.912 19.998 74 2HG2 VAL 7 2HG2 VAL 7 -8.463 -12.345 19.647 75 3HG2 VAL 7 1HG2 VAL 7 -8.024 -14.023 19.329 76 H LYS 8 H LYS 8 -4.690 -9.917 17.017 77 HA LYS 8 HA LYS 8 -5.098 -10.480 14.232 78 1HB LYS 8 HB2 LYS 8 -5.071 -8.017 13.648 79 2HB LYS 8 HB3 LYS 8 -6.569 -8.633 14.321 80 1HG LYS 8 HG2 LYS 8 -6.445 -6.810 15.615 81 2HG LYS 8 HG3 LYS 8 -5.338 -7.797 16.569 82 1HD LYS 8 HD2 LYS 8 -3.445 -6.854 15.304 83 2HD LYS 8 HD3 LYS 8 -4.573 -5.828 14.417 84 1HE LYS 8 HE2 LYS 8 -4.107 -5.789 17.396 85 2HE LYS 8 HE3 LYS 8 -3.505 -4.603 16.239 86 1HZ LYS 8 HZ3 LYS 8 -5.790 -4.027 15.699 87 2HZ LYS 8 HZ2 LYS 8 -6.365 -5.161 16.814 88 3HZ LYS 8 HZ1 LYS 8 -5.494 -3.815 17.351 89 H ASP 9 H ASP 9 -3.189 -10.697 13.306 90 HA ASP 9 HA ASP 9 -0.862 -9.451 14.608 91 1HB ASP 9 HB2 ASP 9 -0.965 -11.963 14.709 92 2HB ASP 9 HB3 ASP 9 -0.852 -11.975 12.952 93 H ASN 10 H ASN 10 -0.139 -7.793 13.449 94 HA ASN 10 HA ASN 10 -0.080 -8.044 10.527 95 1HB ASN 10 HB2 ASN 10 -0.240 -5.370 10.870 96 2HB ASN 10 HB3 ASN 10 -1.631 -6.408 10.579 97 1HD2 ASN 10 1HD2 ASN 10 -0.002 -4.354 12.771 98 2HD2 ASN 10 2HD2 ASN 10 -1.155 -4.422 14.056 99 H ASP 11 H ASP 11 1.009 -5.369 12.445 100 HA ASP 11 HA ASP 11 3.217 -4.558 11.378 101 1HB ASP 11 HB2 ASP 11 4.227 -4.354 13.756 102 2HB ASP 11 HB3 ASP 11 2.725 -3.520 13.379 103 H LYS 12 H LYS 12 4.669 -5.611 10.301 104 HA LYS 12 HA LYS 12 6.000 -7.933 11.503 105 1HB LYS 12 HB2 LYS 12 5.112 -8.572 9.412 106 2HB LYS 12 HB3 LYS 12 5.602 -7.067 8.647 107 1HG LYS 12 HG2 LYS 12 7.919 -7.720 8.763 108 2HG LYS 12 HG3 LYS 12 7.489 -9.199 9.624 109 1HD LYS 12 HD2 LYS 12 6.282 -10.021 7.704 110 2HD LYS 12 HD3 LYS 12 6.548 -8.501 6.846 111 1HE LYS 12 HE2 LYS 12 8.966 -8.908 6.893 112 2HE LYS 12 HE3 LYS 12 8.686 -10.436 7.727 113 1HZ LYS 12 HZ2 LYS 12 7.444 -11.216 5.805 114 2HZ LYS 12 HZ1 LYS 12 7.717 -9.752 5.004 115 3HZ LYS 12 HZ3 LYS 12 9.016 -10.776 5.363 116 H TRP 13 H TRP 13 7.564 -7.039 12.720 117 HA TRP 13 HA TRP 13 9.219 -4.886 11.750 118 1HB TRP 13 HB2 TRP 13 9.654 -6.412 14.302 119 2HB TRP 13 HB3 TRP 13 9.976 -4.717 13.957 120 HD1 TRP 13 HD1 TRP 13 6.957 -7.076 14.496 121 HE1 TRP 13 HE1 TRP 13 4.979 -5.689 15.375 122 HE3 TRP 13 HE3 TRP 13 9.078 -2.421 14.329 123 HZ2 TRP 13 HZ2 TRP 13 4.372 -2.986 15.911 124 HZ3 TRP 13 HZ3 TRP 13 7.734 -0.492 15.056 125 HH2 TRP 13 HH2 TRP 13 5.438 -0.770 15.838 126 H VAL 14 H VAL 14 10.722 -5.408 10.240 127 HA VAL 14 HA VAL 14 12.681 -7.453 10.962 128 HB VAL 14 HB VAL 14 10.725 -8.548 9.694 129 1HG1 VAL 14 1HG1 VAL 14 10.496 -6.876 7.947 130 2HG1 VAL 14 3HG1 VAL 14 12.128 -7.230 7.381 131 3HG1 VAL 14 2HG1 VAL 14 10.867 -8.457 7.260 132 1HG2 VAL 14 2HG2 VAL 14 13.213 -9.330 10.058 133 2HG2 VAL 14 1HG2 VAL 14 12.097 -10.233 9.033 134 3HG2 VAL 14 3HG2 VAL 14 13.272 -9.141 8.305 135 H ASP 15 H ASP 15 14.185 -7.757 8.937 136 HA ASP 15 HA ASP 15 15.103 -5.071 8.197 137 1HB ASP 15 HB2 ASP 15 16.434 -7.709 8.654 138 2HB ASP 15 HB3 ASP 15 17.227 -6.512 7.631 139 H THR 16 H THR 16 16.562 -5.304 6.042 140 HA THR 16 HA THR 16 15.736 -7.079 4.024 141 HB THR 16 HB THR 16 13.619 -5.645 4.423 142 HG1 THR 16 HG1 THR 16 14.765 -6.646 2.176 143 1HG2 THR 16 2HG2 THR 16 14.832 -3.474 4.396 144 2HG2 THR 16 1HG2 THR 16 15.170 -3.731 2.685 145 3HG2 THR 16 3HG2 THR 16 13.504 -3.553 3.238 146 H HIS 17 H HIS 17 15.980 -5.720 1.735 147 HA HIS 17 HA HIS 17 18.521 -4.247 1.963 148 1HB HIS 17 HB2 HIS 17 17.728 -6.108 -0.288 149 2HB HIS 17 HB3 HIS 17 19.261 -5.262 -0.117 150 HD1 HIS 17 HD1 HIS 17 21.063 -6.409 1.189 151 HD2 HIS 17 HD2 HIS 17 17.349 -8.204 1.682 152 HE1 HIS 17 HE1 HIS 17 21.506 -8.527 2.469 153 HE2 HIS 17 HE2 HIS 17 19.233 -9.551 2.833 154 H VAL 18 H VAL 18 18.936 -3.019 -0.216 155 HA VAL 18 HA VAL 18 16.848 -1.122 -0.467 156 HB VAL 18 HB VAL 18 19.187 -0.492 -0.766 157 1HG1 VAL 18 3HG1 VAL 18 19.055 -2.127 -3.297 158 2HG1 VAL 18 2HG1 VAL 18 20.392 -1.080 -2.820 159 3HG1 VAL 18 1HG1 VAL 18 20.001 -2.505 -1.858 160 1HG2 VAL 18 3HG2 VAL 18 17.520 -0.052 -3.242 161 2HG2 VAL 18 2HG2 VAL 18 17.475 0.916 -1.769 162 3HG2 VAL 18 1HG2 VAL 18 18.927 0.901 -2.770 163 H GLY 19 H GLY 19 15.339 -0.773 -1.970 164 1HA GLY 19 HA3 GLY 19 15.229 -1.853 -4.558 165 2HA GLY 19 HA2 GLY 19 13.886 -1.152 -3.682 166 H LYS 20 H LYS 20 14.656 -3.448 -1.612 167 HA LYS 20 HA LYS 20 13.973 -5.870 -2.833 168 1HB LYS 20 HB2 LYS 20 14.786 -5.211 -0.365 169 2HB LYS 20 HB3 LYS 20 13.075 -5.398 -0.039 170 1HG LYS 20 HG2 LYS 20 13.877 -7.498 0.405 171 2HG LYS 20 HG3 LYS 20 13.349 -7.660 -1.274 172 1HD LYS 20 HD2 LYS 20 15.542 -7.494 -2.090 173 2HD LYS 20 HD3 LYS 20 16.136 -6.859 -0.556 174 1HE LYS 20 HE2 LYS 20 15.754 -9.020 0.503 175 2HE LYS 20 HE3 LYS 20 15.096 -9.656 -1.005 176 1HZ LYS 20 HZ1 LYS 20 17.882 -8.703 -0.610 177 2HZ LYS 20 HZ3 LYS 20 17.398 -10.323 -0.677 178 3HZ LYS 20 HZ2 LYS 20 17.248 -9.338 -2.044 179 H THR 21 H THR 21 12.281 -5.323 -4.287 180 HA THR 21 HA THR 21 9.856 -4.135 -3.614 181 HB THR 21 HB THR 21 10.016 -6.304 -5.685 182 HG1 THR 21 HG1 THR 21 11.650 -4.194 -5.526 183 1HG2 THR 21 1HG2 THR 21 7.857 -5.194 -5.275 184 2HG2 THR 21 3HG2 THR 21 8.603 -3.632 -5.606 185 3HG2 THR 21 2HG2 THR 21 8.477 -4.839 -6.886 186 H THR 22 H THR 22 8.839 -4.837 -1.816 187 HA THR 22 HA THR 22 8.261 -7.692 -1.538 188 HB THR 22 HB THR 22 7.851 -5.397 0.395 189 HG1 THR 22 HG1 THR 22 9.763 -5.941 1.122 190 1HG2 THR 22 3HG2 THR 22 7.376 -8.356 0.793 191 2HG2 THR 22 2HG2 THR 22 7.296 -7.123 2.053 192 3HG2 THR 22 1HG2 THR 22 6.134 -7.105 0.727 193 H GLU 23 H GLU 23 6.622 -8.193 -2.844 194 HA GLU 23 HA GLU 23 4.323 -6.500 -3.151 195 1HB GLU 23 HB2 GLU 23 5.301 -7.865 -4.994 196 2HB GLU 23 HB3 GLU 23 4.793 -9.312 -4.134 197 1HG GLU 23 HG2 GLU 23 2.497 -8.753 -4.381 198 2HG GLU 23 HG3 GLU 23 2.904 -7.146 -4.988 199 H ILE 24 H ILE 24 2.410 -6.693 -2.163 200 HA ILE 24 HA ILE 24 1.848 -9.120 -0.627 201 HB ILE 24 HB ILE 24 1.518 -6.346 0.490 202 1HG1 ILE 24 2HG1 ILE 24 3.544 -8.490 1.145 203 2HG1 ILE 24 3HG1 ILE 24 3.881 -6.950 0.366 204 1HG2 ILE 24 3HG2 ILE 24 -0.157 -7.961 1.258 205 2HG2 ILE 24 2HG2 ILE 24 1.134 -9.048 1.773 206 3HG2 ILE 24 1HG2 ILE 24 0.930 -7.484 2.563 207 1HD1 ILE 24 1HD1 ILE 24 3.196 -5.780 2.402 208 2HD1 ILE 24 3HD1 ILE 24 2.905 -7.333 3.184 209 3HD1 ILE 24 2HD1 ILE 24 4.537 -6.890 2.686 210 H HIS 25 H HIS 25 0.128 -9.828 -1.699 211 HA HIS 25 HA HIS 25 -1.991 -8.020 -2.502 212 1HB HIS 25 HB2 HIS 25 -2.249 -10.986 -2.686 213 2HB HIS 25 HB3 HIS 25 -2.812 -9.749 -3.793 214 HD1 HIS 25 HD1 HIS 25 -0.083 -12.110 -3.259 215 HD2 HIS 25 HD2 HIS 25 -0.716 -8.648 -5.467 216 HE1 HIS 25 HE1 HIS 25 1.746 -12.070 -4.984 217 HE2 HIS 25 HE2 HIS 25 1.262 -10.036 -6.389 218 H LEU 26 H LEU 26 -3.453 -7.449 -1.054 219 HA LEU 26 HA LEU 26 -4.108 -9.313 1.130 220 1HB LEU 26 HB2 LEU 26 -4.570 -6.340 1.050 221 2HB LEU 26 HB3 LEU 26 -4.761 -7.394 2.435 222 HG LEU 26 HG LEU 26 -2.089 -7.003 1.106 223 1HD1 LEU 26 2HD1 LEU 26 -3.270 -5.380 3.355 224 2HD1 LEU 26 1HD1 LEU 26 -1.599 -5.305 2.795 225 3HD1 LEU 26 3HD1 LEU 26 -2.910 -4.798 1.730 226 1HD2 LEU 26 2HD2 LEU 26 -2.426 -8.919 2.652 227 2HD2 LEU 26 1HD2 LEU 26 -1.212 -7.765 3.205 228 3HD2 LEU 26 3HD2 LEU 26 -2.821 -7.766 3.929 229 H LYS 27 H LYS 27 -6.284 -9.661 1.658 230 HA LYS 27 HA LYS 27 -8.125 -9.043 -0.539 231 1HB LYS 27 HB2 LYS 27 -8.656 -11.002 1.678 232 2HB LYS 27 HB3 LYS 27 -9.412 -10.916 0.096 233 1HG LYS 27 HG2 LYS 27 -7.214 -11.520 -0.917 234 2HG LYS 27 HG3 LYS 27 -6.601 -11.784 0.718 235 1HD LYS 27 HD2 LYS 27 -8.316 -13.485 1.095 236 2HD LYS 27 HD3 LYS 27 -8.939 -13.220 -0.535 237 1HE LYS 27 HE2 LYS 27 -7.507 -15.193 -0.451 238 2HE LYS 27 HE3 LYS 27 -6.808 -13.940 -1.477 239 1HZ LYS 27 HZ2 LYS 27 -5.353 -13.311 0.349 240 2HZ LYS 27 HZ1 LYS 27 -6.021 -14.516 1.329 241 3HZ LYS 27 HZ3 LYS 27 -5.139 -14.940 -0.052 242 H GLY 28 H GLY 28 -10.383 -8.582 0.035 243 1HA GLY 28 HA3 GLY 28 -10.474 -6.407 1.893 244 2HA GLY 28 HA2 GLY 28 -11.344 -7.809 2.488 245 H ASN 29 H ASN 29 -12.457 -5.241 1.859 246 HA ASN 29 HA ASN 29 -13.727 -5.238 -0.666 247 1HB ASN 29 HB2 ASN 29 -14.807 -7.221 0.639 248 2HB ASN 29 HB3 ASN 29 -15.656 -5.954 1.517 249 1HD2 ASN 29 1HD2 ASN 29 -17.089 -4.599 0.387 250 2HD2 ASN 29 2HD2 ASN 29 -17.777 -5.086 -1.120 251 HA PRO 30 HA PRO 30 -13.985 -1.109 1.080 252 1HB PRO 30 HB2 PRO 30 -14.989 0.102 -1.150 253 2HB PRO 30 HB3 PRO 30 -13.279 -0.275 -0.922 254 1HG PRO 30 HG2 PRO 30 -15.358 -1.760 -2.475 255 2HG PRO 30 HG3 PRO 30 -13.666 -1.434 -2.892 256 1HD PRO 30 HD2 PRO 30 -14.496 -3.825 -1.936 257 2HD PRO 30 HD3 PRO 30 -12.881 -3.171 -1.601 258 H THR 31 H THR 31 -16.678 -1.756 -1.181 259 HA THR 31 HA THR 31 -18.565 -0.199 0.097 260 HB THR 31 HB THR 31 -18.988 -1.017 -2.118 261 HG1 THR 31 HG1 THR 31 -20.875 -2.121 -0.285 262 1HG2 THR 31 2HG2 THR 31 -17.887 -3.189 -1.923 263 2HG2 THR 31 1HG2 THR 31 -19.181 -3.756 -0.871 264 3HG2 THR 31 3HG2 THR 31 -19.523 -3.365 -2.556 265 H THR 32 H THR 32 -17.380 -3.307 1.030 266 HA THR 32 HA THR 32 -19.645 -3.875 2.751 267 HB THR 32 HB THR 32 -17.026 -5.318 2.341 268 HG1 THR 32 HG1 THR 32 -18.458 -6.877 1.398 269 1HG2 THR 32 1HG2 THR 32 -19.354 -6.068 4.114 270 2HG2 THR 32 3HG2 THR 32 -17.996 -7.123 3.718 271 3HG2 THR 32 2HG2 THR 32 -17.725 -5.647 4.645 272 H GLY 33 H GLY 33 -16.141 -3.722 3.420 273 1HA GLY 33 HA3 GLY 33 -15.381 -3.541 5.717 274 2HA GLY 33 HA2 GLY 33 -16.820 -2.591 6.058 275 H TYR 34 H TYR 34 -13.579 -2.421 5.600 276 HA TYR 34 HA TYR 34 -13.728 0.430 4.890 277 1HB TYR 34 HB2 TYR 34 -11.697 -1.028 6.597 278 2HB TYR 34 HB3 TYR 34 -11.623 0.680 6.185 279 HD1 TYR 34 HD1 TYR 34 -14.248 -1.638 7.529 280 HD2 TYR 34 HD2 TYR 34 -12.195 2.074 7.932 281 HE1 TYR 34 HE1 TYR 34 -15.605 -1.105 9.507 282 HE2 TYR 34 HE2 TYR 34 -13.551 2.611 9.908 283 HH TYR 34 HH TYR 34 -15.474 0.314 11.504 284 H MET 35 H MET 35 -11.162 1.028 4.375 285 HA MET 35 HA MET 35 -10.540 -0.556 1.992 286 1HB MET 35 HB2 MET 35 -10.947 1.579 1.207 287 2HB MET 35 HB3 MET 35 -10.343 2.344 2.667 288 1HG MET 35 HG2 MET 35 -8.068 1.900 2.012 289 2HG MET 35 HG3 MET 35 -8.620 1.002 0.615 290 1HE MET 35 HE1 MET 35 -7.091 2.213 -0.793 291 2HE MET 35 HE3 MET 35 -7.410 3.784 -1.527 292 3HE MET 35 HE2 MET 35 -6.545 3.686 0.006 293 H TRP 36 H TRP 36 -8.365 -1.001 1.519 294 HA TRP 36 HA TRP 36 -6.617 -0.983 3.884 295 1HB TRP 36 HB2 TRP 36 -7.195 -2.981 1.822 296 2HB TRP 36 HB3 TRP 36 -5.484 -2.755 2.141 297 HD1 TRP 36 HD1 TRP 36 -8.243 -4.815 3.244 298 HE1 TRP 36 HE1 TRP 36 -7.815 -5.819 5.577 299 HE3 TRP 36 HE3 TRP 36 -4.332 -1.864 4.690 300 HZ2 TRP 36 HZ2 TRP 36 -6.051 -5.414 7.738 301 HZ3 TRP 36 HZ3 TRP 36 -3.329 -2.237 6.901 302 HH2 TRP 36 HH2 TRP 36 -4.175 -3.976 8.394 303 H THR 37 H THR 37 -5.375 0.789 3.715 304 HA THR 37 HA THR 37 -3.606 0.957 1.406 305 HB THR 37 HB THR 37 -5.530 2.417 0.860 306 HG1 THR 37 HG1 THR 37 -4.217 4.206 0.326 307 1HG2 THR 37 2HG2 THR 37 -4.651 3.901 3.340 308 2HG2 THR 37 1HG2 THR 37 -5.793 4.520 2.147 309 3HG2 THR 37 3HG2 THR 37 -6.193 3.084 3.089 310 H ARG 38 H ARG 38 -2.195 3.215 1.955 311 HA ARG 38 HA ARG 38 -0.764 2.442 4.327 312 1HB ARG 38 HB2 ARG 38 -0.234 3.933 1.948 313 2HB ARG 38 HB3 ARG 38 0.228 4.902 3.329 314 1HG ARG 38 HG2 ARG 38 1.980 3.625 3.813 315 2HG ARG 38 HG3 ARG 38 1.119 2.130 3.443 316 1HD ARG 38 HD2 ARG 38 2.152 4.046 1.365 317 2HD ARG 38 HD3 ARG 38 3.006 2.636 1.907 318 HE ARG 38 HE ARG 38 0.974 2.680 -0.005 319 1HH1 ARG 38 1HH1 ARG 38 2.056 0.799 2.716 320 2HH1 ARG 38 2HH1 ARG 38 1.308 -0.663 2.169 321 1HH2 ARG 38 1HH2 ARG 38 -0.026 0.762 -0.724 322 2HH2 ARG 38 2HH2 ARG 38 0.123 -0.681 0.218 323 H VAL 39 H VAL 39 -0.634 3.465 6.260 324 HA VAL 39 HA VAL 39 -2.774 4.928 7.231 325 HB VAL 39 HB VAL 39 0.055 4.856 8.294 326 1HG1 VAL 39 2HG1 VAL 39 -2.499 5.739 9.636 327 2HG1 VAL 39 1HG1 VAL 39 -0.948 5.517 10.445 328 3HG1 VAL 39 3HG1 VAL 39 -1.127 6.763 9.211 329 1HG2 VAL 39 2HG2 VAL 39 -1.194 2.674 8.058 330 2HG2 VAL 39 1HG2 VAL 39 -0.636 3.070 9.684 331 3HG2 VAL 39 3HG2 VAL 39 -2.331 3.295 9.254 332 H GLY 40 H GLY 40 -3.308 7.031 7.365 333 1HA GLY 40 HA3 GLY 40 -1.388 9.141 7.013 334 2HA GLY 40 HA2 GLY 40 -3.122 9.331 7.226 335 H PHE 41 H PHE 41 -1.635 7.356 4.738 336 HA PHE 41 HA PHE 41 -2.041 9.381 2.701 337 1HB PHE 41 HB2 PHE 41 -1.071 6.532 2.411 338 2HB PHE 41 HB3 PHE 41 -0.946 7.808 1.206 339 HD1 PHE 41 HD1 PHE 41 -0.218 9.982 3.300 340 HD2 PHE 41 HD2 PHE 41 1.287 6.085 2.490 341 HE1 PHE 41 HE1 PHE 41 1.968 10.639 4.225 342 HE2 PHE 41 HE2 PHE 41 3.473 6.733 3.416 343 HZ PHE 41 HZ PHE 41 3.816 9.011 4.286 344 H VAL 42 H VAL 42 -4.274 8.124 4.177 345 HA VAL 42 HA VAL 42 -5.654 6.452 2.286 346 HB VAL 42 HB VAL 42 -6.786 7.812 4.734 347 1HG1 VAL 42 3HG1 VAL 42 -8.405 6.922 3.078 348 2HG1 VAL 42 2HG1 VAL 42 -7.687 5.325 3.296 349 3HG1 VAL 42 1HG1 VAL 42 -8.487 6.126 4.648 350 1HG2 VAL 42 1HG2 VAL 42 -4.713 6.360 5.075 351 2HG2 VAL 42 3HG2 VAL 42 -6.140 5.987 6.038 352 3HG2 VAL 42 2HG2 VAL 42 -5.747 5.003 4.631 353 H GLY 43 H GLY 43 -6.330 7.348 0.445 354 1HA GLY 43 HA3 GLY 43 -7.888 9.848 0.635 355 2HA GLY 43 HA2 GLY 43 -8.167 8.586 -0.557 356 H LYS 44 H LYS 44 -4.897 9.357 0.154 357 HA LYS 44 HA LYS 44 -4.502 11.476 -1.660 358 1HB LYS 44 HB2 LYS 44 -2.601 9.419 -0.533 359 2HB LYS 44 HB3 LYS 44 -2.090 10.779 -1.511 360 1HG LYS 44 HG2 LYS 44 -3.131 12.292 0.180 361 2HG LYS 44 HG3 LYS 44 -3.392 10.871 1.192 362 1HD LYS 44 HD2 LYS 44 -1.040 10.460 1.340 363 2HD LYS 44 HD3 LYS 44 -0.695 11.705 0.138 364 1HE LYS 44 HE2 LYS 44 -0.212 12.516 2.380 365 2HE LYS 44 HE3 LYS 44 -1.549 13.415 1.664 366 1HZ LYS 44 HZ2 LYS 44 -3.089 12.027 2.928 367 2HZ LYS 44 HZ1 LYS 44 -1.789 11.212 3.639 368 3HZ LYS 44 HZ3 LYS 44 -2.026 12.858 3.949 369 H ASP 45 H ASP 45 -2.947 11.237 -3.551 370 HA ASP 45 HA ASP 45 -4.080 9.328 -5.400 371 1HB ASP 45 HB2 ASP 45 -2.343 11.746 -5.585 372 2HB ASP 45 HB3 ASP 45 -2.269 10.577 -6.893 373 H VAL 46 H VAL 46 -1.254 9.735 -3.493 374 HA VAL 46 HA VAL 46 -0.208 7.180 -4.451 375 HB VAL 46 HB VAL 46 0.987 9.007 -5.675 376 1HG1 VAL 46 3HG1 VAL 46 0.957 10.704 -3.937 377 2HG1 VAL 46 2HG1 VAL 46 2.001 9.704 -2.925 378 3HG1 VAL 46 1HG1 VAL 46 2.613 10.364 -4.442 379 1HG2 VAL 46 2HG2 VAL 46 2.643 7.355 -3.771 380 2HG2 VAL 46 1HG2 VAL 46 2.027 6.837 -5.342 381 3HG2 VAL 46 3HG2 VAL 46 3.235 8.119 -5.247 382 H LEU 47 H LEU 47 0.676 5.960 -2.893 383 HA LEU 47 HA LEU 47 0.408 6.912 -0.166 384 1HB LEU 47 HB2 LEU 47 1.374 4.179 -0.793 385 2HB LEU 47 HB3 LEU 47 0.291 4.718 0.472 386 HG LEU 47 HG LEU 47 -0.432 4.465 -2.449 387 1HD1 LEU 47 2HD1 LEU 47 -0.083 2.299 -1.345 388 2HD1 LEU 47 1HD1 LEU 47 -1.252 2.757 -0.106 389 3HD1 LEU 47 3HD1 LEU 47 -1.773 2.564 -1.781 390 1HD2 LEU 47 2HD2 LEU 47 -2.107 5.165 -0.043 391 2HD2 LEU 47 1HD2 LEU 47 -1.697 6.230 -1.388 392 3HD2 LEU 47 3HD2 LEU 47 -2.737 4.830 -1.655 393 H SER 48 H SER 48 2.875 5.287 -2.127 394 HA SER 48 HA SER 48 5.050 5.449 -0.454 395 1HB SER 48 HB2 SER 48 5.108 4.288 -2.610 396 2HB SER 48 HB3 SER 48 5.019 5.830 -3.458 397 HG SER 48 HG SER 48 7.053 6.285 -2.892 398 H ASP 49 H ASP 49 7.081 6.914 -1.070 399 HA ASP 49 HA ASP 49 6.374 9.663 -1.626 400 1HB ASP 49 HB2 ASP 49 7.255 8.787 1.119 401 2HB ASP 49 HB3 ASP 49 7.452 10.444 0.550 402 H GLU 50 H GLU 50 9.073 8.933 0.426 403 HA GLU 50 HA GLU 50 10.900 9.048 -1.873 404 1HB GLU 50 HB2 GLU 50 12.312 10.613 -0.703 405 2HB GLU 50 HB3 GLU 50 10.676 11.258 -0.766 406 1HG GLU 50 HG2 GLU 50 10.286 10.568 1.524 407 2HG GLU 50 HG3 GLU 50 11.905 9.874 1.604 408 H ILE 51 H ILE 51 10.263 8.020 1.400 409 HA ILE 51 HA ILE 51 12.772 6.751 1.861 410 HB ILE 51 HB ILE 51 10.139 6.124 3.187 411 1HG1 ILE 51 2HG1 ILE 51 10.654 8.566 3.178 412 2HG1 ILE 51 3HG1 ILE 51 10.603 7.854 4.783 413 1HG2 ILE 51 2HG2 ILE 51 13.003 5.772 4.044 414 2HG2 ILE 51 1HG2 ILE 51 11.619 5.584 5.122 415 3HG2 ILE 51 3HG2 ILE 51 11.808 4.513 3.735 416 1HD1 ILE 51 3HD1 ILE 51 13.110 8.434 3.224 417 2HD1 ILE 51 2HD1 ILE 51 12.449 9.444 4.511 418 3HD1 ILE 51 1HD1 ILE 51 13.021 7.814 4.873 419 H LEU 52 H LEU 52 9.585 5.215 1.695 420 HA LEU 52 HA LEU 52 10.834 2.901 0.379 421 1HB LEU 52 HB2 LEU 52 8.456 3.245 2.155 422 2HB LEU 52 HB3 LEU 52 8.488 1.900 1.032 423 HG LEU 52 HG LEU 52 10.696 2.393 3.014 424 1HD1 LEU 52 2HD1 LEU 52 8.227 0.696 3.348 425 2HD1 LEU 52 1HD1 LEU 52 9.626 0.685 4.422 426 3HD1 LEU 52 3HD1 LEU 52 8.642 2.140 4.271 427 1HD2 LEU 52 1HD2 LEU 52 11.102 0.932 1.028 428 2HD2 LEU 52 3HD2 LEU 52 11.291 0.125 2.584 429 3HD2 LEU 52 2HD2 LEU 52 9.834 -0.135 1.627 430 H GLU 53 H GLU 53 10.578 2.823 -1.775 431 HA GLU 53 HA GLU 53 8.599 4.283 -3.182 432 1HB GLU 53 HB2 GLU 53 10.797 2.477 -3.823 433 2HB GLU 53 HB3 GLU 53 9.413 2.235 -4.879 434 1HG GLU 53 HG2 GLU 53 10.173 5.026 -4.435 435 2HG GLU 53 HG3 GLU 53 11.364 4.046 -5.286 436 H VAL 54 H VAL 54 6.790 3.524 -1.824 437 HA VAL 54 HA VAL 54 5.925 0.809 -2.045 438 HB VAL 54 HB VAL 54 4.178 3.083 -1.163 439 1HG1 VAL 54 1HG1 VAL 54 4.340 0.157 -0.482 440 2HG1 VAL 54 3HG1 VAL 54 3.263 1.310 0.302 441 3HG1 VAL 54 2HG1 VAL 54 3.084 0.968 -1.419 442 1HG2 VAL 54 2HG2 VAL 54 6.365 1.717 0.391 443 2HG2 VAL 54 1HG2 VAL 54 6.174 3.440 0.077 444 3HG2 VAL 54 3HG2 VAL 54 5.045 2.611 1.146 445 H VAL 55 H VAL 55 5.802 0.533 -4.322 446 HA VAL 55 HA VAL 55 3.849 2.043 -5.809 447 HB VAL 55 HB VAL 55 5.217 -0.517 -6.613 448 1HG1 VAL 55 2HG1 VAL 55 3.156 0.196 -7.850 449 2HG1 VAL 55 1HG1 VAL 55 4.035 1.642 -8.347 450 3HG1 VAL 55 3HG1 VAL 55 4.606 0.050 -8.847 451 1HG2 VAL 55 3HG2 VAL 55 6.076 2.335 -7.105 452 2HG2 VAL 55 2HG2 VAL 55 6.895 1.162 -6.074 453 3HG2 VAL 55 1HG2 VAL 55 6.825 0.906 -7.818 454 H CYS 56 H CYS 56 2.050 1.655 -4.519 455 HA CYS 56 HA CYS 56 0.984 -1.079 -4.575 456 1HB CYS 56 HB2 CYS 56 1.141 -0.348 -2.327 457 2HB CYS 56 HB3 CYS 56 0.470 1.232 -2.716 458 HG CYS 56 HG CYS 56 -2.098 0.158 -3.306 459 H LYS 57 H LYS 57 -1.109 -1.464 -5.207 460 HA LYS 57 HA LYS 57 -2.606 0.757 -6.374 461 1HB LYS 57 HB2 LYS 57 -2.043 -1.838 -7.809 462 2HB LYS 57 HB3 LYS 57 -3.066 -0.539 -8.400 463 1HG LYS 57 HG2 LYS 57 -1.200 0.928 -8.633 464 2HG LYS 57 HG3 LYS 57 -0.132 -0.216 -7.818 465 1HD LYS 57 HD2 LYS 57 -1.562 -0.837 -10.394 466 2HD LYS 57 HD3 LYS 57 0.062 -0.148 -10.328 467 1HE LYS 57 HE2 LYS 57 -0.810 -2.781 -9.142 468 2HE LYS 57 HE3 LYS 57 0.159 -2.564 -10.599 469 1HZ LYS 57 HZ2 LYS 57 1.885 -1.538 -9.252 470 2HZ LYS 57 HZ1 LYS 57 0.956 -1.758 -7.855 471 3HZ LYS 57 HZ3 LYS 57 1.542 -3.101 -8.702 472 H TYR 58 H TYR 58 -4.624 0.716 -5.754 473 HA TYR 58 HA TYR 58 -5.671 -1.547 -4.302 474 1HB TYR 58 HB2 TYR 58 -6.079 0.822 -3.583 475 2HB TYR 58 HB3 TYR 58 -7.041 1.058 -5.039 476 HD1 TYR 58 HD1 TYR 58 -8.745 -1.254 -5.202 477 HD2 TYR 58 HD2 TYR 58 -7.427 0.857 -1.732 478 HE1 TYR 58 HE1 TYR 58 -10.738 -2.026 -4.006 479 HE2 TYR 58 HE2 TYR 58 -9.446 0.099 -0.533 480 HH TYR 58 HH TYR 58 -11.466 -2.363 -1.675 481 H THR 59 H THR 59 -6.038 -3.208 -5.695 482 HA THR 59 HA THR 59 -7.457 -2.738 -8.191 483 HB THR 59 HB THR 59 -6.490 -5.366 -7.052 484 HG1 THR 59 HG1 THR 59 -5.142 -3.284 -8.255 485 1HG2 THR 59 2HG2 THR 59 -7.239 -4.544 -9.862 486 2HG2 THR 59 1HG2 THR 59 -6.601 -6.118 -9.387 487 3HG2 THR 59 3HG2 THR 59 -8.180 -5.593 -8.802 488 HA PRO 60 HA PRO 60 -11.207 -4.116 -6.139 489 1HB PRO 60 HB2 PRO 60 -12.876 -2.589 -7.556 490 2HB PRO 60 HB3 PRO 60 -11.798 -1.883 -6.355 491 1HG PRO 60 HG2 PRO 60 -11.680 -1.746 -9.295 492 2HG PRO 60 HG3 PRO 60 -10.979 -0.656 -8.088 493 1HD PRO 60 HD2 PRO 60 -9.709 -2.808 -9.521 494 2HD PRO 60 HD3 PRO 60 -8.984 -1.644 -8.395 495 H THR 61 H THR 61 -13.562 -4.356 -7.592 496 HA THR 61 HA THR 61 -12.937 -6.652 -9.283 497 HB THR 61 HB THR 61 -15.767 -5.944 -8.763 498 HG1 THR 61 HG1 THR 61 -15.601 -6.791 -6.615 499 1HG2 THR 61 3HG2 THR 61 -14.151 -8.489 -8.624 500 2HG2 THR 61 2HG2 THR 61 -15.884 -8.389 -8.319 501 3HG2 THR 61 1HG2 THR 61 -15.246 -7.997 -9.915 502 HA PRO 62 HA PRO 62 -13.629 -4.495 -13.088 503 1HB PRO 62 HB2 PRO 62 -14.809 -7.027 -14.071 504 2HB PRO 62 HB3 PRO 62 -13.439 -6.107 -14.698 505 1HG PRO 62 HG2 PRO 62 -13.069 -8.407 -13.391 506 2HG PRO 62 HG3 PRO 62 -11.949 -7.047 -13.193 507 1HD PRO 62 HD2 PRO 62 -14.125 -7.990 -11.367 508 2HD PRO 62 HD3 PRO 62 -12.499 -7.395 -10.972 509 H SER 63 H SER 63 -15.234 -3.089 -13.358 510 HA SER 63 HA SER 63 -17.976 -3.862 -12.751 511 1HB SER 63 HB2 SER 63 -16.776 -1.166 -13.429 512 2HB SER 63 HB3 SER 63 -18.458 -1.441 -12.978 513 HG SER 63 HG SER 63 -16.863 -2.575 -11.159 514 H SER 64 H SER 64 -19.717 -3.491 -14.208 515 HA SER 64 HA SER 64 -18.964 -3.960 -16.983 516 1HB SER 64 HB2 SER 64 -21.671 -4.054 -15.629 517 2HB SER 64 HB3 SER 64 -21.355 -4.504 -17.304 518 HG SER 64 HG SER 64 -19.824 -5.723 -15.316 519 H THR 65 H THR 65 -20.396 -1.511 -14.975 520 HA THR 65 HA THR 65 -20.195 0.408 -17.104 521 HB THR 65 HB THR 65 -22.922 -0.120 -15.921 522 HG1 THR 65 HG1 THR 65 -23.057 -1.452 -17.555 523 1HG2 THR 65 2HG2 THR 65 -22.016 1.901 -17.975 524 2HG2 THR 65 1HG2 THR 65 -23.686 1.607 -17.492 525 3HG2 THR 65 3HG2 THR 65 -22.533 2.256 -16.327 526 HA PRO 66 HA PRO 66 -21.244 2.636 -12.957 527 1HB PRO 66 HB2 PRO 66 -21.360 0.558 -10.909 528 2HB PRO 66 HB3 PRO 66 -22.558 1.787 -11.315 529 1HG PRO 66 HG2 PRO 66 -22.954 -0.840 -11.815 530 2HG PRO 66 HG3 PRO 66 -23.616 0.439 -12.852 531 1HD PRO 66 HD2 PRO 66 -21.164 -1.245 -13.254 532 2HD PRO 66 HD3 PRO 66 -22.417 -0.795 -14.431 533 H MET 67 H MET 67 -20.155 2.443 -10.479 534 HA MET 67 HA MET 67 -17.526 1.266 -10.582 535 1HB MET 67 HB2 MET 67 -17.346 3.416 -11.897 536 2HB MET 67 HB3 MET 67 -17.746 4.277 -10.417 537 1HG MET 67 HG2 MET 67 -15.762 3.327 -9.346 538 2HG MET 67 HG3 MET 67 -15.350 2.508 -10.850 539 1HE MET 67 HE3 MET 67 -12.930 3.596 -10.792 540 2HE MET 67 HE2 MET 67 -12.640 5.329 -10.630 541 3HE MET 67 HE1 MET 67 -13.330 4.421 -9.285 542 H VAL 68 H VAL 68 -20.091 1.511 -8.977 543 HA VAL 68 HA VAL 68 -18.859 2.197 -6.390 544 HB VAL 68 HB VAL 68 -21.732 2.478 -7.271 545 1HG1 VAL 68 1HG1 VAL 68 -20.539 2.854 -4.522 546 2HG1 VAL 68 3HG1 VAL 68 -22.174 3.316 -4.991 547 3HG1 VAL 68 2HG1 VAL 68 -21.702 1.617 -5.001 548 1HG2 VAL 68 2HG2 VAL 68 -19.699 4.502 -6.341 549 2HG2 VAL 68 1HG2 VAL 68 -20.286 4.289 -7.990 550 3HG2 VAL 68 3HG2 VAL 68 -21.385 4.847 -6.728 551 H GLY 69 H GLY 69 -18.459 0.447 -5.212 552 1HA GLY 69 HA3 GLY 69 -20.491 -1.651 -5.042 553 2HA GLY 69 HA2 GLY 69 -19.140 -1.423 -3.941 554 H VAL 70 H VAL 70 -16.950 -1.877 -4.864 555 HA VAL 70 HA VAL 70 -16.998 -3.875 -6.997 556 HB VAL 70 HB VAL 70 -14.402 -3.554 -6.624 557 1HG1 VAL 70 1HG1 VAL 70 -15.725 -3.103 -8.682 558 2HG1 VAL 70 3HG1 VAL 70 -16.026 -1.475 -8.074 559 3HG1 VAL 70 2HG1 VAL 70 -14.376 -1.991 -8.437 560 1HG2 VAL 70 1HG2 VAL 70 -15.547 -0.943 -5.662 561 2HG2 VAL 70 3HG2 VAL 70 -14.596 -2.083 -4.711 562 3HG2 VAL 70 2HG2 VAL 70 -13.856 -1.234 -6.067 563 H GLY 71 H GLY 71 -14.238 -4.045 -5.110 564 1HA GLY 71 HA3 GLY 71 -15.272 -6.425 -3.705 565 2HA GLY 71 HA2 GLY 71 -14.103 -5.335 -2.983 566 H GLY 72 H GLY 72 -12.000 -5.157 -4.069 567 1HA GLY 72 HA3 GLY 72 -10.506 -6.145 -5.777 568 2HA GLY 72 HA2 GLY 72 -11.262 -7.686 -5.409 569 H ILE 73 H ILE 73 -8.461 -6.244 -5.094 570 HA ILE 73 HA ILE 73 -7.995 -7.067 -2.319 571 HB ILE 73 HB ILE 73 -5.857 -8.054 -2.921 572 1HG1 ILE 73 2HG1 ILE 73 -6.479 -8.223 -5.801 573 2HG1 ILE 73 3HG1 ILE 73 -5.944 -6.651 -5.209 574 1HG2 ILE 73 1HG2 ILE 73 -7.920 -9.430 -2.795 575 2HG2 ILE 73 3HG2 ILE 73 -8.001 -9.357 -4.557 576 3HG2 ILE 73 2HG2 ILE 73 -6.617 -10.119 -3.764 577 1HD1 ILE 73 1HD1 ILE 73 -3.957 -7.738 -4.231 578 2HD1 ILE 73 3HD1 ILE 73 -4.480 -9.266 -4.943 579 3HD1 ILE 73 2HD1 ILE 73 -4.050 -7.909 -5.986 580 H TYR 74 H TYR 74 -5.288 -6.583 -2.230 581 HA TYR 74 HA TYR 74 -4.888 -3.825 -3.104 582 1HB TYR 74 HB2 TYR 74 -4.245 -4.510 -0.259 583 2HB TYR 74 HB3 TYR 74 -4.593 -2.939 -0.976 584 HD1 TYR 74 HD1 TYR 74 -6.877 -2.177 -1.258 585 HD2 TYR 74 HD2 TYR 74 -6.068 -5.999 0.416 586 HE1 TYR 74 HE1 TYR 74 -9.200 -2.333 -0.464 587 HE2 TYR 74 HE2 TYR 74 -8.382 -6.154 1.206 588 HH TYR 74 HH TYR 74 -10.243 -4.661 1.761 589 H VAL 75 H VAL 75 -3.091 -4.169 -4.335 590 HA VAL 75 HA VAL 75 -1.013 -5.946 -3.310 591 HB VAL 75 HB VAL 75 -1.768 -6.253 -5.660 592 1HG1 VAL 75 3HG1 VAL 75 -2.168 -3.895 -6.205 593 2HG1 VAL 75 2HG1 VAL 75 -0.429 -3.597 -6.138 594 3HG1 VAL 75 1HG1 VAL 75 -1.093 -4.670 -7.370 595 1HG2 VAL 75 2HG2 VAL 75 0.435 -7.009 -4.937 596 2HG2 VAL 75 1HG2 VAL 75 0.472 -6.461 -6.614 597 3HG2 VAL 75 3HG2 VAL 75 1.115 -5.430 -5.334 598 H VAL 76 H VAL 76 0.759 -5.216 -2.430 599 HA VAL 76 HA VAL 76 1.454 -2.371 -2.785 600 HB VAL 76 HB VAL 76 1.973 -3.993 -0.300 601 1HG1 VAL 76 2HG1 VAL 76 2.159 -1.053 -0.921 602 2HG1 VAL 76 1HG1 VAL 76 2.281 -1.735 0.700 603 3HG1 VAL 76 3HG1 VAL 76 3.480 -2.151 -0.524 604 1HG2 VAL 76 3HG2 VAL 76 -0.440 -3.784 -0.661 605 2HG2 VAL 76 2HG2 VAL 76 0.093 -2.834 0.726 606 3HG2 VAL 76 1HG2 VAL 76 -0.264 -2.036 -0.806 607 H LEU 77 H LEU 77 3.370 -2.034 -3.713 608 HA LEU 77 HA LEU 77 5.457 -4.096 -3.461 609 1HB LEU 77 HB2 LEU 77 5.015 -1.985 -5.569 610 2HB LEU 77 HB3 LEU 77 6.486 -2.930 -5.456 611 HG LEU 77 HG LEU 77 3.709 -4.033 -5.945 612 1HD1 LEU 77 3HD1 LEU 77 4.572 -2.796 -7.859 613 2HD1 LEU 77 2HD1 LEU 77 6.068 -3.729 -7.799 614 3HD1 LEU 77 1HD1 LEU 77 4.544 -4.528 -8.188 615 1HD2 LEU 77 3HD2 LEU 77 5.469 -5.431 -4.667 616 2HD2 LEU 77 2HD2 LEU 77 4.623 -6.158 -6.037 617 3HD2 LEU 77 1HD2 LEU 77 6.267 -5.553 -6.236 618 H VAL 78 H VAL 78 6.506 -3.476 -1.617 619 HA VAL 78 HA VAL 78 7.217 -0.661 -1.312 620 HB VAL 78 HB VAL 78 8.296 -2.324 0.768 621 1HG1 VAL 78 3HG1 VAL 78 6.127 -0.209 0.721 622 2HG1 VAL 78 2HG1 VAL 78 6.892 -0.848 2.178 623 3HG1 VAL 78 1HG1 VAL 78 7.851 0.055 1.006 624 1HG2 VAL 78 1HG2 VAL 78 6.557 -3.911 0.155 625 2HG2 VAL 78 3HG2 VAL 78 6.205 -3.165 1.714 626 3HG2 VAL 78 2HG2 VAL 78 5.341 -2.638 0.270 627 H LYS 79 H LYS 79 8.922 -0.082 -2.469 628 HA LYS 79 HA LYS 79 11.279 -1.841 -2.512 629 1HB LYS 79 HB2 LYS 79 10.134 0.100 -4.456 630 2HB LYS 79 HB3 LYS 79 11.882 -0.088 -4.419 631 1HG LYS 79 HG2 LYS 79 11.590 -2.517 -4.751 632 2HG LYS 79 HG3 LYS 79 9.842 -2.252 -4.915 633 1HD LYS 79 HD2 LYS 79 11.960 -0.988 -6.661 634 2HD LYS 79 HD3 LYS 79 11.020 -2.417 -7.092 635 1HE LYS 79 HE2 LYS 79 8.956 -1.108 -6.922 636 2HE LYS 79 HE3 LYS 79 9.901 0.321 -6.504 637 1HZ LYS 79 HZ3 LYS 79 10.981 0.192 -8.664 638 2HZ LYS 79 HZ2 LYS 79 10.069 -1.176 -9.064 639 3HZ LYS 79 HZ1 LYS 79 9.302 0.314 -8.841 640 HA PRO 80 HA PRO 80 12.764 1.177 0.569 641 1HB PRO 80 HB2 PRO 80 15.162 -0.526 0.056 642 2HB PRO 80 HB3 PRO 80 14.488 0.041 1.588 643 1HG PRO 80 HG2 PRO 80 14.108 -2.468 0.788 644 2HG PRO 80 HG3 PRO 80 12.822 -1.567 1.605 645 1HD PRO 80 HD2 PRO 80 13.101 -2.280 -1.270 646 2HD PRO 80 HD3 PRO 80 11.637 -2.097 -0.285 647 H ARG 81 H ARG 81 12.809 2.999 -0.753 648 HA ARG 81 HA ARG 81 14.549 3.406 -2.920 649 1HB ARG 81 HB2 ARG 81 12.589 4.894 -1.483 650 2HB ARG 81 HB3 ARG 81 14.029 5.891 -1.627 651 1HG ARG 81 HG2 ARG 81 13.997 5.675 -4.018 652 2HG ARG 81 HG3 ARG 81 12.664 4.520 -3.928 653 1HD ARG 81 HD2 ARG 81 11.195 6.219 -3.040 654 2HD ARG 81 HD3 ARG 81 12.524 7.377 -2.976 655 HE ARG 81 HE ARG 81 12.541 6.889 -5.544 656 1HH1 ARG 81 1HH1 ARG 81 9.765 7.225 -3.466 657 2HH1 ARG 81 2HH1 ARG 81 8.743 7.848 -4.718 658 1HH2 ARG 81 1HH2 ARG 81 11.202 7.709 -7.197 659 2HH2 ARG 81 2HH2 ARG 81 9.560 8.123 -6.838 660 H LYS 82 H LYS 82 14.883 3.968 0.527 661 HA LYS 82 HA LYS 82 17.689 4.761 0.095 662 1HB LYS 82 HB2 LYS 82 15.999 5.410 2.513 663 2HB LYS 82 HB3 LYS 82 17.583 6.060 2.110 664 1HG LYS 82 HG2 LYS 82 16.637 7.227 0.197 665 2HG LYS 82 HG3 LYS 82 15.050 6.543 0.553 666 1HD LYS 82 HD2 LYS 82 15.059 7.686 2.727 667 2HD LYS 82 HD3 LYS 82 16.628 8.393 2.339 668 1HE LYS 82 HE2 LYS 82 14.070 8.822 0.795 669 2HE LYS 82 HE3 LYS 82 14.794 9.966 1.925 670 1HZ LYS 82 HZ1 LYS 82 16.737 10.096 0.493 671 2HZ LYS 82 HZ3 LYS 82 16.039 9.002 -0.593 672 3HZ LYS 82 HZ2 LYS 82 15.338 10.523 -0.355 673 H ARG 83 H ARG 83 18.784 4.414 2.506 674 HA ARG 83 HA ARG 83 18.160 1.660 3.319 675 1HB ARG 83 HB2 ARG 83 20.950 2.726 2.863 676 2HB ARG 83 HB3 ARG 83 20.526 1.103 3.386 677 1HG ARG 83 HG2 ARG 83 19.418 0.696 1.250 678 2HG ARG 83 HG3 ARG 83 19.835 2.328 0.724 679 1HD ARG 83 HD2 ARG 83 22.231 1.751 1.025 680 2HD ARG 83 HD3 ARG 83 21.746 0.096 1.392 681 HE ARG 83 HE ARG 83 20.603 0.706 -1.042 682 1HH1 ARG 83 1HH1 ARG 83 23.819 0.514 0.283 683 2HH1 ARG 83 2HH1 ARG 83 24.552 0.072 -1.223 684 1HH2 ARG 83 1HH2 ARG 83 21.559 0.125 -3.029 685 2HH2 ARG 83 2HH2 ARG 83 23.268 -0.148 -3.105 686 H GLY 84 H GLY 84 17.750 1.591 5.413 687 1HA GLY 84 HA3 GLY 84 18.499 3.791 7.137 688 2HA GLY 84 HA2 GLY 84 19.307 2.276 7.510 689 H HIS 85 H HIS 85 16.426 4.104 7.781 690 HA HIS 85 HA HIS 85 15.110 1.843 9.138 691 1HB HIS 85 HB2 HIS 85 15.061 4.768 9.908 692 2HB HIS 85 HB3 HIS 85 14.124 3.502 10.694 693 HD1 HIS 85 HD1 HIS 85 17.466 5.055 10.625 694 HD2 HIS 85 HD2 HIS 85 15.698 1.641 12.205 695 HE1 HIS 85 HE1 HIS 85 19.096 4.180 12.329 696 HE2 HIS 85 HE2 HIS 85 18.041 2.070 13.214 697 H HIS 86 H HIS 86 13.642 1.204 7.661 698 HA HIS 86 HA HIS 86 11.780 3.244 6.626 699 1HB HIS 86 HB2 HIS 86 12.522 0.604 5.340 700 2HB HIS 86 HB3 HIS 86 11.424 1.812 4.680 701 HD1 HIS 86 HD1 HIS 86 14.843 2.493 6.159 702 HD2 HIS 86 HD2 HIS 86 12.863 2.618 2.509 703 HE1 HIS 86 HE1 HIS 86 16.447 3.586 4.562 704 HE2 HIS 86 HE2 HIS 86 15.184 3.750 2.389 705 H THR 87 H THR 87 9.551 2.450 6.246 706 HA THR 87 HA THR 87 8.714 0.037 7.571 707 HB THR 87 HB THR 87 7.935 2.696 8.779 708 HG1 THR 87 HG1 THR 87 9.921 2.080 9.574 709 1HG2 THR 87 3HG2 THR 87 7.030 -0.120 9.380 710 2HG2 THR 87 2HG2 THR 87 6.727 1.264 10.433 711 3HG2 THR 87 1HG2 THR 87 6.034 1.223 8.809 712 H LEU 88 H LEU 88 6.535 -0.501 7.194 713 HA LEU 88 HA LEU 88 5.055 1.308 5.418 714 1HB LEU 88 HB2 LEU 88 6.200 -0.511 4.131 715 2HB LEU 88 HB3 LEU 88 5.230 -1.671 5.019 716 HG LEU 88 HG LEU 88 3.189 -0.426 4.134 717 1HD1 LEU 88 3HD1 LEU 88 5.337 0.777 2.404 718 2HD1 LEU 88 2HD1 LEU 88 3.618 0.824 2.025 719 3HD1 LEU 88 1HD1 LEU 88 4.224 1.622 3.477 720 1HD2 LEU 88 3HD2 LEU 88 4.411 -2.587 3.222 721 2HD2 LEU 88 2HD2 LEU 88 3.042 -1.863 2.378 722 3HD2 LEU 88 1HD2 LEU 88 4.686 -1.540 1.831 723 H GLU 89 H GLU 89 3.849 1.841 7.291 724 HA GLU 89 HA GLU 89 2.334 -0.258 8.590 725 1HB GLU 89 HB2 GLU 89 1.321 1.980 9.670 726 2HB GLU 89 HB3 GLU 89 2.808 1.226 10.233 727 1HG GLU 89 HG2 GLU 89 4.152 2.769 9.090 728 2HG GLU 89 HG3 GLU 89 2.798 3.340 8.119 729 H LEU 90 H LEU 90 0.713 -1.054 7.441 730 HA LEU 90 HA LEU 90 -0.958 0.692 5.820 731 1HB LEU 90 HB2 LEU 90 -0.768 -2.284 6.161 732 2HB LEU 90 HB3 LEU 90 -2.172 -1.566 5.403 733 HG LEU 90 HG LEU 90 0.668 -1.253 4.429 734 1HD1 LEU 90 1HD1 LEU 90 -1.601 -2.943 3.389 735 2HD1 LEU 90 3HD1 LEU 90 -0.058 -2.690 2.573 736 3HD1 LEU 90 2HD1 LEU 90 -0.108 -3.527 4.124 737 1HD2 LEU 90 1HD2 LEU 90 -1.978 -0.255 3.414 738 2HD2 LEU 90 3HD2 LEU 90 -0.517 0.668 3.772 739 3HD2 LEU 90 2HD2 LEU 90 -0.560 -0.408 2.375 740 H VAL 91 H VAL 91 -3.389 0.335 5.997 741 HA VAL 91 HA VAL 91 -4.326 -0.336 8.654 742 HB VAL 91 HB VAL 91 -3.608 1.909 9.075 743 1HG1 VAL 91 2HG1 VAL 91 -5.183 2.690 6.624 744 2HG1 VAL 91 1HG1 VAL 91 -4.427 3.820 7.748 745 3HG1 VAL 91 3HG1 VAL 91 -3.426 2.716 6.802 746 1HG2 VAL 91 3HG2 VAL 91 -6.594 1.864 8.657 747 2HG2 VAL 91 2HG2 VAL 91 -5.730 1.291 10.085 748 3HG2 VAL 91 1HG2 VAL 91 -5.715 3.006 9.675 749 H TYR 92 H TYR 92 -6.538 -0.657 8.778 750 HA TYR 92 HA TYR 92 -7.948 -0.819 6.212 751 1HB TYR 92 HB2 TYR 92 -7.722 -2.793 7.838 752 2HB TYR 92 HB3 TYR 92 -8.861 -1.933 8.865 753 HD1 TYR 92 HD1 TYR 92 -10.845 -3.116 8.825 754 HD2 TYR 92 HD2 TYR 92 -8.794 -2.417 5.165 755 HE1 TYR 92 HE1 TYR 92 -12.713 -4.134 7.591 756 HE2 TYR 92 HE2 TYR 92 -10.656 -3.430 3.921 757 HH TYR 92 HH TYR 92 -13.673 -4.080 5.333 758 H THR 93 H THR 93 -8.382 1.461 6.077 759 HA THR 93 HA THR 93 -10.409 2.416 8.001 760 HB THR 93 HB THR 93 -8.311 3.633 8.236 761 HG1 THR 93 HG1 THR 93 -10.304 4.789 8.471 762 1HG2 THR 93 2HG2 THR 93 -8.614 3.881 5.276 763 2HG2 THR 93 1HG2 THR 93 -7.841 5.200 6.163 764 3HG2 THR 93 3HG2 THR 93 -7.169 3.570 6.241 765 H ARG 94 H ARG 94 -11.968 3.936 7.217 766 HA ARG 94 HA ARG 94 -12.658 3.522 4.397 767 1HB ARG 94 HB2 ARG 94 -14.239 4.154 6.853 768 2HB ARG 94 HB3 ARG 94 -14.860 4.676 5.295 769 1HG ARG 94 HG2 ARG 94 -14.795 2.370 4.497 770 2HG ARG 94 HG3 ARG 94 -14.179 1.850 6.064 771 1HD ARG 94 HD2 ARG 94 -16.515 1.424 6.056 772 2HD ARG 94 HD3 ARG 94 -16.244 2.821 7.097 773 HE ARG 94 HE ARG 94 -16.797 3.982 4.747 774 1HH1 ARG 94 1HH1 ARG 94 -18.395 1.433 6.505 775 2HH1 ARG 94 2HH1 ARG 94 -19.969 1.827 5.898 776 1HH2 ARG 94 1HH2 ARG 94 -18.865 4.509 3.945 777 2HH2 ARG 94 2HH2 ARG 94 -20.236 3.575 4.443 778 HA PRO 95 HA PRO 95 -10.779 7.652 3.857 779 1HB PRO 95 HB2 PRO 95 -12.074 7.150 1.219 780 2HB PRO 95 HB3 PRO 95 -10.455 7.752 1.580 781 1HG PRO 95 HG2 PRO 95 -10.882 5.220 0.796 782 2HG PRO 95 HG3 PRO 95 -9.610 5.643 1.954 783 1HD PRO 95 HD2 PRO 95 -12.185 4.267 2.405 784 2HD PRO 95 HD3 PRO 95 -10.680 4.185 3.335 785 H PHE 96 H PHE 96 -14.037 6.701 2.790 786 HA PHE 96 HA PHE 96 -15.020 9.347 2.566 787 1HB PHE 96 HB2 PHE 96 -16.365 6.656 2.717 788 2HB PHE 96 HB3 PHE 96 -17.226 8.156 2.444 789 HD1 PHE 96 HD1 PHE 96 -14.722 5.857 1.043 790 HD2 PHE 96 HD2 PHE 96 -17.255 9.199 0.316 791 HE1 PHE 96 HE1 PHE 96 -14.273 5.668 -1.368 792 HE2 PHE 96 HE2 PHE 96 -16.812 9.015 -2.098 793 HZ PHE 96 HZ PHE 96 -15.319 7.247 -2.943 794 H GLU 97 H GLU 97 -13.987 8.032 5.282 795 HA GLU 97 HA GLU 97 -15.873 9.532 6.911 796 1HB GLU 97 HB2 GLU 97 -15.370 6.581 7.279 797 2HB GLU 97 HB3 GLU 97 -16.041 7.604 8.542 798 1HG GLU 97 HG2 GLU 97 -17.899 8.183 6.989 799 2HG GLU 97 HG3 GLU 97 -17.256 6.991 5.860 800 H GLY 98 H GLY 98 -12.811 8.927 6.108 801 1HA GLY 98 HA3 GLY 98 -11.801 10.032 8.589 802 2HA GLY 98 HA2 GLY 98 -10.872 9.749 7.123 803 H ILE 99 H ILE 99 -9.654 9.133 9.400 804 HA ILE 99 HA ILE 99 -9.756 6.196 9.419 805 HB ILE 99 HB ILE 99 -7.357 7.774 10.260 806 1HG1 ILE 99 2HG1 ILE 99 -7.905 6.845 7.437 807 2HG1 ILE 99 3HG1 ILE 99 -8.127 8.508 7.967 808 1HG2 ILE 99 2HG2 ILE 99 -7.996 4.972 9.486 809 2HG2 ILE 99 1HG2 ILE 99 -6.374 5.588 9.158 810 3HG2 ILE 99 3HG2 ILE 99 -6.997 5.578 10.807 811 1HD1 ILE 99 1HD1 ILE 99 -5.751 8.643 8.524 812 2HD1 ILE 99 3HD1 ILE 99 -5.531 6.980 7.980 813 3HD1 ILE 99 2HD1 ILE 99 -6.004 8.230 6.828 814 H LYS 100 H LYS 100 -9.447 5.078 11.350 815 HA LYS 100 HA LYS 100 -9.637 6.629 13.834 816 1HB LYS 100 HB2 LYS 100 -11.197 4.401 14.325 817 2HB LYS 100 HB3 LYS 100 -11.787 6.028 14.042 818 1HG LYS 100 HG2 LYS 100 -11.833 5.451 11.582 819 2HG LYS 100 HG3 LYS 100 -11.539 3.780 12.065 820 1HD LYS 100 HD2 LYS 100 -13.871 3.946 11.833 821 2HD LYS 100 HD3 LYS 100 -13.577 4.023 13.571 822 1HE LYS 100 HE2 LYS 100 -13.707 6.489 13.446 823 2HE LYS 100 HE3 LYS 100 -14.102 6.355 11.732 824 1HZ LYS 100 HZ2 LYS 100 -15.710 5.236 13.964 825 2HZ LYS 100 HZ1 LYS 100 -16.085 6.629 13.081 826 3HZ LYS 100 HZ3 LYS 100 -16.088 5.117 12.321 827 HA PRO 101 HA PRO 101 -6.785 3.659 15.425 828 1HB PRO 101 HB2 PRO 101 -7.449 3.486 18.023 829 2HB PRO 101 HB3 PRO 101 -6.788 4.966 17.328 830 1HG PRO 101 HG2 PRO 101 -9.628 4.281 17.957 831 2HG PRO 101 HG3 PRO 101 -8.757 5.801 18.229 832 1HD PRO 101 HD2 PRO 101 -10.438 5.370 16.118 833 2HD PRO 101 HD3 PRO 101 -9.088 6.518 16.085 834 H GLU 102 H GLU 102 -10.162 3.044 15.691 835 HA GLU 102 HA GLU 102 -9.946 0.358 16.669 836 1HB GLU 102 HB2 GLU 102 -12.347 0.209 16.135 837 2HB GLU 102 HB3 GLU 102 -11.958 1.627 17.102 838 1HG GLU 102 HG2 GLU 102 -12.008 3.013 15.127 839 2HG GLU 102 HG3 GLU 102 -12.339 1.603 14.126 840 H ASN 103 H ASN 103 -9.049 1.639 13.817 841 HA ASN 103 HA ASN 103 -10.095 -0.378 12.037 842 1HB ASN 103 HB2 ASN 103 -8.030 1.791 11.640 843 2HB ASN 103 HB3 ASN 103 -8.594 0.719 10.363 844 1HD2 ASN 103 1HD2 ASN 103 -11.336 0.722 11.492 845 2HD2 ASN 103 2HD2 ASN 103 -12.011 2.242 11.031 846 H GLU 104 H GLU 104 -8.904 -1.981 10.972 847 HA GLU 104 HA GLU 104 -7.048 -3.387 12.504 848 1HB GLU 104 HB2 GLU 104 -8.581 -3.934 10.324 849 2HB GLU 104 HB3 GLU 104 -6.983 -3.851 9.594 850 1HG GLU 104 HG2 GLU 104 -6.180 -5.493 11.213 851 2HG GLU 104 HG3 GLU 104 -7.800 -5.614 11.887 852 H ARG 105 H ARG 105 -4.863 -4.097 11.533 853 HA ARG 105 HA ARG 105 -3.443 -1.819 10.342 854 1HB ARG 105 HB2 ARG 105 -3.107 -1.671 12.765 855 2HB ARG 105 HB3 ARG 105 -2.561 -3.338 12.805 856 1HG ARG 105 HG2 ARG 105 -0.526 -2.329 12.803 857 2HG ARG 105 HG3 ARG 105 -0.800 -2.389 11.053 858 1HD ARG 105 HD2 ARG 105 -0.075 -0.179 11.645 859 2HD ARG 105 HD3 ARG 105 -1.772 -0.119 11.162 860 HE ARG 105 HE ARG 105 -1.678 -0.458 13.926 861 1HH1 ARG 105 1HH1 ARG 105 -0.828 1.938 11.541 862 2HH1 ARG 105 2HH1 ARG 105 -1.068 3.278 12.612 863 1HH2 ARG 105 1HH2 ARG 105 -1.996 1.302 15.344 864 2HH2 ARG 105 2HH2 ARG 105 -1.731 2.916 14.774 865 H TYR 106 H TYR 106 -1.398 -2.361 9.414 866 HA TYR 106 HA TYR 106 -0.489 -5.055 9.234 867 1HB TYR 106 HB2 TYR 106 -2.335 -5.120 7.576 868 2HB TYR 106 HB3 TYR 106 -1.536 -3.832 6.672 869 HD1 TYR 106 HD1 TYR 106 0.738 -4.321 5.656 870 HD2 TYR 106 HD2 TYR 106 -1.706 -7.355 7.357 871 HE1 TYR 106 HE1 TYR 106 2.057 -6.023 4.483 872 HE2 TYR 106 HE2 TYR 106 -0.404 -9.067 6.185 873 HH TYR 106 HH TYR 106 2.577 -8.421 4.693 874 H THR 107 H THR 107 1.133 -3.697 10.241 875 HA THR 107 HA THR 107 2.551 -1.855 8.524 876 HB THR 107 HB THR 107 3.347 -2.808 11.279 877 HG1 THR 107 HG1 THR 107 1.898 -1.471 12.053 878 1HG2 THR 107 3HG2 THR 107 4.098 -0.352 9.690 879 2HG2 THR 107 2HG2 THR 107 4.592 -0.687 11.349 880 3HG2 THR 107 1HG2 THR 107 5.146 -1.728 10.036 881 H LEU 108 H LEU 108 4.717 -2.084 7.899 882 HA LEU 108 HA LEU 108 5.895 -4.739 8.152 883 1HB LEU 108 HB2 LEU 108 4.769 -4.941 6.078 884 2HB LEU 108 HB3 LEU 108 5.274 -3.354 5.553 885 HG LEU 108 HG LEU 108 7.565 -4.123 5.293 886 1HD1 LEU 108 2HD1 LEU 108 7.615 -5.709 7.150 887 2HD1 LEU 108 1HD1 LEU 108 6.557 -6.797 6.249 888 3HD1 LEU 108 3HD1 LEU 108 8.180 -6.450 5.651 889 1HD2 LEU 108 3HD2 LEU 108 5.995 -4.431 3.430 890 2HD2 LEU 108 2HD2 LEU 108 7.258 -5.663 3.453 891 3HD2 LEU 108 1HD2 LEU 108 5.634 -6.054 4.020 892 H HIS 109 H HIS 109 7.382 -3.821 9.525 893 HA HIS 109 HA HIS 109 8.956 -1.548 8.795 894 1HB HIS 109 HB2 HIS 109 8.947 -3.487 11.041 895 2HB HIS 109 HB3 HIS 109 10.377 -2.508 10.783 896 HD1 HIS 109 HD1 HIS 109 10.321 -0.197 11.736 897 HD2 HIS 109 HD2 HIS 109 6.549 -1.923 11.522 898 HE1 HIS 109 HE1 HIS 109 8.785 1.397 12.931 899 HE2 HIS 109 HE2 HIS 109 6.492 0.373 12.712 900 H LEU 110 H LEU 110 11.062 -1.485 8.142 901 HA LEU 110 HA LEU 110 12.403 -3.959 7.408 902 1HB LEU 110 HB2 LEU 110 11.801 -1.761 5.432 903 2HB LEU 110 HB3 LEU 110 12.833 -3.140 5.119 904 HG LEU 110 HG LEU 110 9.878 -3.305 5.734 905 1HD1 LEU 110 3HD1 LEU 110 11.342 -3.519 3.107 906 2HD1 LEU 110 2HD1 LEU 110 9.626 -3.840 3.357 907 3HD1 LEU 110 1HD1 LEU 110 10.262 -2.214 3.597 908 1HD2 LEU 110 1HD2 LEU 110 11.260 -5.284 6.364 909 2HD2 LEU 110 3HD2 LEU 110 10.040 -5.609 5.132 910 3HD2 LEU 110 2HD2 LEU 110 11.731 -5.426 4.670 911 H ASN 111 H ASN 111 14.186 -3.620 8.650 912 HA ASN 111 HA ASN 111 15.474 -1.041 8.750 913 1HB ASN 111 HB2 ASN 111 15.457 -2.594 10.704 914 2HB ASN 111 HB3 ASN 111 16.461 -3.710 9.789 915 1HD2 ASN 111 1HD2 ASN 111 18.615 -3.257 9.475 916 2HD2 ASN 111 2HD2 ASN 111 19.439 -2.000 10.324 917 H VAL 112 H VAL 112 15.415 -1.290 6.287 918 HA VAL 112 HA VAL 112 16.853 -2.875 4.678 919 HB VAL 112 HB VAL 112 17.221 0.068 4.277 920 1HG1 VAL 112 3HG1 VAL 112 18.048 -1.569 2.627 921 2HG1 VAL 112 2HG1 VAL 112 16.396 -2.150 2.416 922 3HG1 VAL 112 1HG1 VAL 112 16.813 -0.497 1.967 923 1HG2 VAL 112 3HG2 VAL 112 14.599 -1.408 4.143 924 2HG2 VAL 112 2HG2 VAL 112 14.987 0.023 5.099 925 3HG2 VAL 112 1HG2 VAL 112 14.894 0.136 3.344 926 H LYS 113 H LYS 113 18.939 -3.221 4.059 927 HA LYS 113 HA LYS 113 21.000 -2.393 5.904 928 1HB LYS 113 HB2 LYS 113 21.087 -4.184 3.472 929 2HB LYS 113 HB3 LYS 113 22.433 -3.923 4.574 930 1HG LYS 113 HG2 LYS 113 19.771 -5.052 5.407 931 2HG LYS 113 HG3 LYS 113 21.171 -6.030 4.964 932 1HD LYS 113 HD2 LYS 113 22.456 -5.079 6.780 933 2HD LYS 113 HD3 LYS 113 21.130 -3.987 7.185 934 1HE LYS 113 HE2 LYS 113 19.719 -5.883 7.757 935 2HE LYS 113 HE3 LYS 113 21.007 -6.998 7.302 936 1HZ LYS 113 HZ1 LYS 113 21.146 -5.009 9.503 937 2HZ LYS 113 HZ3 LYS 113 20.915 -6.675 9.693 938 3HZ LYS 113 HZ2 LYS 113 22.375 -6.087 9.071 No H/Q in entry = 938 Start of MODEL 3 1 H1 GLY -2 HT3 GLY -2 -26.989 -22.779 18.886 2 H2 GLY -2 HT2 GLY -2 -25.884 -23.868 18.210 3 H3 GLY -2 HT1 GLY -2 -26.160 -23.871 19.879 4 1HA GLY -2 HA2 GLY -2 -24.062 -22.799 19.385 5 2HA GLY -2 HA3 GLY -2 -25.209 -21.668 20.086 6 H SER -1 H SER -1 -23.311 -20.406 18.901 7 HA SER -1 HA SER -1 -23.943 -19.975 16.086 8 1HB SER -1 HB2 SER -1 -24.178 -17.537 16.410 9 2HB SER -1 HB3 SER -1 -25.437 -18.432 17.262 10 HG SER -1 HG SER -1 -24.260 -16.672 18.425 11 H HIS 0 H HIS 0 -22.313 -18.862 14.925 12 HA HIS 0 HA HIS 0 -19.680 -19.130 16.141 13 1HB HIS 0 HB2 HIS 0 -20.484 -18.515 13.289 14 2HB HIS 0 HB3 HIS 0 -18.836 -18.792 13.843 15 HD1 HIS 0 HD1 HIS 0 -18.061 -21.180 14.034 16 HD2 HIS 0 HD2 HIS 0 -22.149 -20.859 13.365 17 HE1 HIS 0 HE1 HIS 0 -18.852 -23.522 13.572 18 HE2 HIS 0 HE2 HIS 0 -21.312 -23.290 13.083 19 H MET 1 H MET 1 -18.192 -17.476 16.339 20 HA MET 1 HA MET 1 -19.141 -14.754 15.768 21 1HB MET 1 HB2 MET 1 -17.823 -15.662 18.332 22 2HB MET 1 HB3 MET 1 -18.205 -13.996 17.923 23 1HG MET 1 HG2 MET 1 -20.583 -14.556 17.865 24 2HG MET 1 HG3 MET 1 -20.195 -16.224 18.284 25 1HE MET 1 HE1 MET 1 -22.288 -14.440 19.899 26 2HE MET 1 HE3 MET 1 -21.902 -16.107 20.325 27 3HE MET 1 HE2 MET 1 -21.857 -14.850 21.560 28 H ILE 2 H ILE 2 -17.113 -13.221 16.425 29 HA ILE 2 HA ILE 2 -15.175 -13.698 14.439 30 HB ILE 2 HB ILE 2 -14.973 -11.813 16.792 31 1HG1 ILE 2 2HG1 ILE 2 -16.011 -11.291 13.996 32 2HG1 ILE 2 3HG1 ILE 2 -17.028 -11.502 15.418 33 1HG2 ILE 2 2HG2 ILE 2 -12.835 -12.185 15.695 34 2HG2 ILE 2 1HG2 ILE 2 -13.558 -11.817 14.128 35 3HG2 ILE 2 3HG2 ILE 2 -13.428 -10.559 15.357 36 1HD1 ILE 2 2HD1 ILE 2 -16.031 -9.519 16.427 37 2HD1 ILE 2 1HD1 ILE 2 -15.014 -9.307 15.002 38 3HD1 ILE 2 3HD1 ILE 2 -16.766 -9.157 14.865 39 H ALA 3 H ALA 3 -15.233 -14.333 17.891 40 HA ALA 3 HA ALA 3 -13.846 -15.484 19.277 41 1HB ALA 3 HB3 ALA 3 -14.263 -17.277 17.663 42 2HB ALA 3 HB2 ALA 3 -12.875 -16.745 16.715 43 3HB ALA 3 HB1 ALA 3 -12.639 -17.379 18.344 44 HA PRO 4 HA PRO 4 -10.304 -12.642 18.623 45 1HB PRO 4 HB2 PRO 4 -10.086 -11.868 21.198 46 2HB PRO 4 HB3 PRO 4 -11.274 -11.160 20.097 47 1HG PRO 4 HG2 PRO 4 -11.642 -13.291 22.170 48 2HG PRO 4 HG3 PRO 4 -12.676 -11.897 21.804 49 1HD PRO 4 HD2 PRO 4 -13.207 -14.410 20.912 50 2HD PRO 4 HD3 PRO 4 -13.676 -12.949 20.021 51 H LEU 5 H LEU 5 -10.694 -15.622 19.962 52 HA LEU 5 HA LEU 5 -8.442 -15.947 21.609 53 1HB LEU 5 HB2 LEU 5 -9.980 -17.902 19.909 54 2HB LEU 5 HB3 LEU 5 -8.659 -18.391 20.951 55 HG LEU 5 HG LEU 5 -9.962 -17.380 22.878 56 1HD1 LEU 5 1HD1 LEU 5 -12.159 -17.383 20.814 57 2HD1 LEU 5 3HD1 LEU 5 -12.384 -17.147 22.548 58 3HD1 LEU 5 2HD1 LEU 5 -11.468 -15.968 21.609 59 1HD2 LEU 5 3HD2 LEU 5 -9.819 -19.781 22.507 60 2HD2 LEU 5 2HD2 LEU 5 -11.419 -19.331 23.097 61 3HD2 LEU 5 1HD2 LEU 5 -11.181 -19.701 21.389 62 H SER 6 H SER 6 -8.804 -15.848 18.155 63 HA SER 6 HA SER 6 -6.257 -17.025 17.561 64 1HB SER 6 HB2 SER 6 -8.085 -17.127 15.934 65 2HB SER 6 HB3 SER 6 -8.110 -15.367 15.831 66 HG SER 6 HG SER 6 -6.356 -17.186 14.711 67 H VAL 7 H VAL 7 -4.703 -15.698 16.121 68 HA VAL 7 HA VAL 7 -4.225 -13.116 17.459 69 HB VAL 7 HB VAL 7 -1.820 -13.462 16.894 70 1HG1 VAL 7 2HG1 VAL 7 -2.667 -13.968 19.121 71 2HG1 VAL 7 1HG1 VAL 7 -3.092 -15.599 18.602 72 3HG1 VAL 7 3HG1 VAL 7 -1.399 -15.105 18.663 73 1HG2 VAL 7 3HG2 VAL 7 -2.753 -16.228 16.134 74 2HG2 VAL 7 2HG2 VAL 7 -2.086 -15.016 15.042 75 3HG2 VAL 7 1HG2 VAL 7 -1.072 -15.723 16.298 76 H LYS 8 H LYS 8 -3.986 -11.320 16.259 77 HA LYS 8 HA LYS 8 -4.131 -11.611 13.339 78 1HB LYS 8 HB2 LYS 8 -5.179 -9.587 15.266 79 2HB LYS 8 HB3 LYS 8 -4.784 -9.083 13.635 80 1HG LYS 8 HG2 LYS 8 -7.148 -9.647 13.865 81 2HG LYS 8 HG3 LYS 8 -6.332 -10.722 12.728 82 1HD LYS 8 HD2 LYS 8 -6.129 -12.418 14.487 83 2HD LYS 8 HD3 LYS 8 -6.969 -11.345 15.609 84 1HE LYS 8 HE2 LYS 8 -8.943 -11.379 14.157 85 2HE LYS 8 HE3 LYS 8 -8.103 -12.463 13.048 86 1HZ LYS 8 HZ3 LYS 8 -8.762 -13.076 15.878 87 2HZ LYS 8 HZ2 LYS 8 -9.594 -13.664 14.528 88 3HZ LYS 8 HZ1 LYS 8 -7.986 -14.117 14.793 89 H ASP 9 H ASP 9 -1.712 -11.697 15.018 90 HA ASP 9 HA ASP 9 -0.124 -9.550 15.203 91 1HB ASP 9 HB2 ASP 9 0.822 -12.089 13.875 92 2HB ASP 9 HB3 ASP 9 1.769 -10.963 14.834 93 H ASN 10 H ASN 10 0.335 -7.910 13.922 94 HA ASN 10 HA ASN 10 0.374 -8.339 11.017 95 1HB ASN 10 HB2 ASN 10 0.116 -5.635 11.337 96 2HB ASN 10 HB3 ASN 10 -1.214 -6.753 11.043 97 1HD2 ASN 10 1HD2 ASN 10 0.412 -4.754 13.341 98 2HD2 ASN 10 2HD2 ASN 10 -0.772 -4.858 14.594 99 H ASP 11 H ASP 11 1.459 -5.566 12.818 100 HA ASP 11 HA ASP 11 3.537 -4.649 11.571 101 1HB ASP 11 HB2 ASP 11 3.879 -5.276 14.498 102 2HB ASP 11 HB3 ASP 11 4.509 -3.900 13.600 103 H LYS 12 H LYS 12 4.857 -5.798 10.322 104 HA LYS 12 HA LYS 12 6.263 -8.108 11.405 105 1HB LYS 12 HB2 LYS 12 5.330 -8.469 9.240 106 2HB LYS 12 HB3 LYS 12 5.998 -6.964 8.626 107 1HG LYS 12 HG2 LYS 12 7.261 -8.802 7.756 108 2HG LYS 12 HG3 LYS 12 8.255 -7.894 8.895 109 1HD LYS 12 HD2 LYS 12 7.821 -9.550 10.625 110 2HD LYS 12 HD3 LYS 12 6.774 -10.446 9.523 111 1HE LYS 12 HE2 LYS 12 8.678 -10.832 8.034 112 2HE LYS 12 HE3 LYS 12 9.723 -9.942 9.139 113 1HZ LYS 12 HZ2 LYS 12 9.270 -11.598 10.842 114 2HZ LYS 12 HZ1 LYS 12 8.274 -12.455 9.776 115 3HZ LYS 12 HZ3 LYS 12 9.932 -12.321 9.462 116 H TRP 13 H TRP 13 7.714 -7.146 12.810 117 HA TRP 13 HA TRP 13 9.466 -5.034 11.996 118 1HB TRP 13 HB2 TRP 13 9.867 -6.774 14.411 119 2HB TRP 13 HB3 TRP 13 10.244 -5.071 14.199 120 HD1 TRP 13 HD1 TRP 13 7.236 -7.395 14.780 121 HE1 TRP 13 HE1 TRP 13 5.295 -6.010 15.742 122 HE3 TRP 13 HE3 TRP 13 9.329 -2.737 14.479 123 HZ2 TRP 13 HZ2 TRP 13 4.709 -3.302 16.293 124 HZ3 TRP 13 HZ3 TRP 13 8.016 -0.806 15.254 125 HH2 TRP 13 HH2 TRP 13 5.761 -1.084 16.147 126 H VAL 14 H VAL 14 10.898 -5.517 10.403 127 HA VAL 14 HA VAL 14 12.923 -7.519 11.010 128 HB VAL 14 HB VAL 14 10.997 -8.707 9.832 129 1HG1 VAL 14 2HG1 VAL 14 10.513 -6.990 8.175 130 2HG1 VAL 14 1HG1 VAL 14 12.106 -7.230 7.457 131 3HG1 VAL 14 3HG1 VAL 14 10.911 -8.526 7.405 132 1HG2 VAL 14 2HG2 VAL 14 13.498 -9.385 9.993 133 2HG2 VAL 14 1HG2 VAL 14 12.415 -10.251 8.902 134 3HG2 VAL 14 3HG2 VAL 14 13.507 -9.024 8.267 135 H ASP 15 H ASP 15 14.428 -7.706 9.017 136 HA ASP 15 HA ASP 15 15.155 -4.973 8.257 137 1HB ASP 15 HB2 ASP 15 16.633 -7.530 8.671 138 2HB ASP 15 HB3 ASP 15 17.320 -6.338 7.568 139 H THR 16 H THR 16 16.581 -5.141 6.041 140 HA THR 16 HA THR 16 15.676 -6.907 4.038 141 HB THR 16 HB THR 16 13.594 -5.455 4.531 142 HG1 THR 16 HG1 THR 16 13.011 -6.101 2.591 143 1HG2 THR 16 2HG2 THR 16 14.815 -3.297 4.495 144 2HG2 THR 16 1HG2 THR 16 15.114 -3.535 2.774 145 3HG2 THR 16 3HG2 THR 16 13.463 -3.348 3.364 146 H HIS 17 H HIS 17 15.892 -5.626 1.751 147 HA HIS 17 HA HIS 17 18.484 -4.230 1.871 148 1HB HIS 17 HB2 HIS 17 17.439 -6.354 0.072 149 2HB HIS 17 HB3 HIS 17 18.491 -5.144 -0.644 150 HD1 HIS 17 HD1 HIS 17 18.517 -8.203 1.366 151 HD2 HIS 17 HD2 HIS 17 21.132 -5.075 0.563 152 HE1 HIS 17 HE1 HIS 17 20.783 -9.018 2.090 153 HE2 HIS 17 HE2 HIS 17 22.333 -7.075 1.679 154 H VAL 18 H VAL 18 18.645 -3.293 -0.704 155 HA VAL 18 HA VAL 18 16.740 -1.118 -0.583 156 HB VAL 18 HB VAL 18 19.083 -0.614 -1.045 157 1HG1 VAL 18 1HG1 VAL 18 19.688 -2.638 -2.252 158 2HG1 VAL 18 3HG1 VAL 18 18.660 -2.157 -3.602 159 3HG1 VAL 18 2HG1 VAL 18 20.089 -1.206 -3.200 160 1HG2 VAL 18 3HG2 VAL 18 17.341 0.893 -1.882 161 2HG2 VAL 18 2HG2 VAL 18 18.749 0.877 -2.944 162 3HG2 VAL 18 1HG2 VAL 18 17.291 -0.007 -3.397 163 H GLY 19 H GLY 19 15.166 -0.621 -1.978 164 1HA GLY 19 HA3 GLY 19 14.749 -1.475 -4.569 165 2HA GLY 19 HA2 GLY 19 13.480 -0.969 -3.474 166 H LYS 20 H LYS 20 14.268 -3.311 -1.665 167 HA LYS 20 HA LYS 20 13.737 -5.675 -3.126 168 1HB LYS 20 HB2 LYS 20 14.551 -5.127 -0.570 169 2HB LYS 20 HB3 LYS 20 12.908 -5.672 -0.304 170 1HG LYS 20 HG2 LYS 20 14.124 -7.619 -0.134 171 2HG LYS 20 HG3 LYS 20 13.566 -7.659 -1.811 172 1HD LYS 20 HD2 LYS 20 15.652 -7.033 -2.643 173 2HD LYS 20 HD3 LYS 20 16.170 -6.409 -1.082 174 1HE LYS 20 HE2 LYS 20 17.299 -8.513 -1.615 175 2HE LYS 20 HE3 LYS 20 16.271 -8.680 -0.194 176 1HZ LYS 20 HZ3 LYS 20 14.578 -9.700 -1.587 177 2HZ LYS 20 HZ2 LYS 20 15.571 -9.546 -2.948 178 3HZ LYS 20 HZ1 LYS 20 16.029 -10.565 -1.677 179 H THR 21 H THR 21 11.978 -5.013 -4.439 180 HA THR 21 HA THR 21 9.548 -3.996 -3.646 181 HB THR 21 HB THR 21 9.715 -6.098 -5.786 182 HG1 THR 21 HG1 THR 21 11.250 -4.910 -6.639 183 1HG2 THR 21 2HG2 THR 21 7.521 -5.120 -5.286 184 2HG2 THR 21 1HG2 THR 21 8.177 -3.506 -5.554 185 3HG2 THR 21 3HG2 THR 21 8.079 -4.650 -6.892 186 H THR 22 H THR 22 8.701 -4.807 -1.774 187 HA THR 22 HA THR 22 8.162 -7.666 -1.586 188 HB THR 22 HB THR 22 7.685 -5.427 0.395 189 HG1 THR 22 HG1 THR 22 9.870 -5.968 0.192 190 1HG2 THR 22 2HG2 THR 22 7.297 -8.404 0.734 191 2HG2 THR 22 1HG2 THR 22 7.180 -7.201 2.017 192 3HG2 THR 22 3HG2 THR 22 6.018 -7.191 0.691 193 H GLU 23 H GLU 23 6.536 -8.215 -2.864 194 HA GLU 23 HA GLU 23 4.192 -6.579 -3.183 195 1HB GLU 23 HB2 GLU 23 5.222 -7.835 -5.049 196 2HB GLU 23 HB3 GLU 23 4.832 -9.338 -4.227 197 1HG GLU 23 HG2 GLU 23 2.519 -9.009 -4.507 198 2HG GLU 23 HG3 GLU 23 2.750 -7.328 -4.976 199 H ILE 24 H ILE 24 2.339 -6.785 -2.121 200 HA ILE 24 HA ILE 24 1.740 -9.298 -0.746 201 HB ILE 24 HB ILE 24 1.497 -6.594 0.544 202 1HG1 ILE 24 2HG1 ILE 24 3.421 -8.860 1.068 203 2HG1 ILE 24 3HG1 ILE 24 3.831 -7.286 0.401 204 1HG2 ILE 24 1HG2 ILE 24 -0.256 -8.159 1.210 205 2HG2 ILE 24 3HG2 ILE 24 0.969 -9.352 1.642 206 3HG2 ILE 24 2HG2 ILE 24 0.853 -7.840 2.544 207 1HD1 ILE 24 2HD1 ILE 24 3.177 -6.232 2.508 208 2HD1 ILE 24 1HD1 ILE 24 2.808 -7.822 3.177 209 3HD1 ILE 24 3HD1 ILE 24 4.464 -7.417 2.727 210 H HIS 25 H HIS 25 0.055 -9.831 -2.039 211 HA HIS 25 HA HIS 25 -2.026 -7.952 -2.682 212 1HB HIS 25 HB2 HIS 25 -2.443 -10.891 -2.924 213 2HB HIS 25 HB3 HIS 25 -2.912 -9.604 -4.024 214 HD1 HIS 25 HD1 HIS 25 -0.720 -12.350 -3.897 215 HD2 HIS 25 HD2 HIS 25 -0.347 -8.437 -5.240 216 HE1 HIS 25 HE1 HIS 25 1.221 -12.370 -5.494 217 HE2 HIS 25 HE2 HIS 25 1.333 -10.023 -6.399 218 H LEU 26 H LEU 26 -3.274 -7.288 -1.045 219 HA LEU 26 HA LEU 26 -3.976 -9.199 1.066 220 1HB LEU 26 HB2 LEU 26 -4.372 -6.218 0.974 221 2HB LEU 26 HB3 LEU 26 -4.682 -7.249 2.355 222 HG LEU 26 HG LEU 26 -1.923 -7.110 1.184 223 1HD1 LEU 26 2HD1 LEU 26 -3.149 -5.133 3.099 224 2HD1 LEU 26 1HD1 LEU 26 -1.420 -5.293 2.789 225 3HD1 LEU 26 3HD1 LEU 26 -2.506 -4.797 1.493 226 1HD2 LEU 26 3HD2 LEU 26 -2.708 -8.763 2.989 227 2HD2 LEU 26 2HD2 LEU 26 -1.218 -7.862 3.275 228 3HD2 LEU 26 1HD2 LEU 26 -2.716 -7.365 4.066 229 H LYS 27 H LYS 27 -6.093 -9.659 1.571 230 HA LYS 27 HA LYS 27 -7.988 -9.108 -0.574 231 1HB LYS 27 HB2 LYS 27 -8.374 -10.959 1.773 232 2HB LYS 27 HB3 LYS 27 -9.288 -10.926 0.274 233 1HG LYS 27 HG2 LYS 27 -7.913 -12.725 -0.071 234 2HG LYS 27 HG3 LYS 27 -6.989 -11.431 -0.835 235 1HD LYS 27 HD2 LYS 27 -5.492 -12.753 0.496 236 2HD LYS 27 HD3 LYS 27 -5.702 -11.191 1.286 237 1HE LYS 27 HE2 LYS 27 -7.323 -12.181 2.823 238 2HE LYS 27 HE3 LYS 27 -7.133 -13.742 2.025 239 1HZ LYS 27 HZ1 LYS 27 -4.990 -12.262 3.456 240 2HZ LYS 27 HZ3 LYS 27 -5.819 -13.614 4.046 241 3HZ LYS 27 HZ2 LYS 27 -4.812 -13.763 2.695 242 H GLY 28 H GLY 28 -10.293 -8.774 0.095 243 1HA GLY 28 HA3 GLY 28 -10.460 -6.388 1.618 244 2HA GLY 28 HA2 GLY 28 -11.080 -7.744 2.547 245 H ASN 29 H ASN 29 -12.261 -5.276 1.123 246 HA ASN 29 HA ASN 29 -13.927 -6.144 -0.959 247 1HB ASN 29 HB2 ASN 29 -14.844 -7.573 0.900 248 2HB ASN 29 HB3 ASN 29 -15.339 -6.093 1.712 249 1HD2 ASN 29 1HD2 ASN 29 -17.499 -6.776 1.612 250 2HD2 ASN 29 2HD2 ASN 29 -18.407 -6.675 0.146 251 HA PRO 30 HA PRO 30 -13.710 -1.599 -0.557 252 1HB PRO 30 HB2 PRO 30 -14.572 -1.190 -3.146 253 2HB PRO 30 HB3 PRO 30 -12.886 -1.404 -2.669 254 1HG PRO 30 HG2 PRO 30 -14.807 -3.397 -3.795 255 2HG PRO 30 HG3 PRO 30 -13.086 -3.167 -4.160 256 1HD PRO 30 HD2 PRO 30 -13.923 -5.145 -2.559 257 2HD PRO 30 HD3 PRO 30 -12.403 -4.285 -2.245 258 H THR 31 H THR 31 -16.311 -3.726 -0.956 259 HA THR 31 HA THR 31 -18.288 -1.580 -1.145 260 HB THR 31 HB THR 31 -19.951 -3.372 -1.369 261 HG1 THR 31 HG1 THR 31 -19.376 -5.485 -1.251 262 1HG2 THR 31 2HG2 THR 31 -18.861 -2.515 -3.380 263 2HG2 THR 31 1HG2 THR 31 -17.575 -3.709 -3.200 264 3HG2 THR 31 3HG2 THR 31 -19.222 -4.234 -3.547 265 H THR 32 H THR 32 -16.546 -2.567 1.287 266 HA THR 32 HA THR 32 -18.750 -2.963 3.186 267 HB THR 32 HB THR 32 -16.981 -3.543 4.831 268 HG1 THR 32 HG1 THR 32 -14.864 -3.699 4.163 269 1HG2 THR 32 2HG2 THR 32 -18.085 -5.303 3.548 270 2HG2 THR 32 1HG2 THR 32 -16.893 -5.125 2.263 271 3HG2 THR 32 3HG2 THR 32 -16.397 -5.712 3.850 272 H GLY 33 H GLY 33 -15.615 -1.247 3.257 273 1HA GLY 33 HA3 GLY 33 -16.619 0.664 5.156 274 2HA GLY 33 HA2 GLY 33 -16.460 1.331 3.539 275 H TYR 34 H TYR 34 -14.484 -0.828 5.585 276 HA TYR 34 HA TYR 34 -12.399 1.071 5.886 277 1HB TYR 34 HB2 TYR 34 -12.457 -1.913 6.345 278 2HB TYR 34 HB3 TYR 34 -11.089 -0.887 6.760 279 HD1 TYR 34 HD1 TYR 34 -14.607 -1.657 7.546 280 HD2 TYR 34 HD2 TYR 34 -11.119 0.481 8.728 281 HE1 TYR 34 HE1 TYR 34 -15.639 -1.190 9.729 282 HE2 TYR 34 HE2 TYR 34 -12.145 0.952 10.912 283 HH TYR 34 HH TYR 34 -14.391 1.094 11.901 284 H MET 35 H MET 35 -10.090 0.483 5.260 285 HA MET 35 HA MET 35 -9.859 -0.744 2.641 286 1HB MET 35 HB2 MET 35 -10.112 1.469 1.937 287 2HB MET 35 HB3 MET 35 -9.299 2.113 3.361 288 1HG MET 35 HG2 MET 35 -7.185 1.154 2.520 289 2HG MET 35 HG3 MET 35 -8.037 0.673 1.067 290 1HE MET 35 HE1 MET 35 -10.021 3.042 0.580 291 2HE MET 35 HE3 MET 35 -9.099 4.144 -0.442 292 3HE MET 35 HE2 MET 35 -9.040 2.408 -0.741 293 H TRP 36 H TRP 36 -7.783 -1.451 2.190 294 HA TRP 36 HA TRP 36 -5.979 -1.534 4.505 295 1HB TRP 36 HB2 TRP 36 -6.739 -3.478 2.451 296 2HB TRP 36 HB3 TRP 36 -5.011 -3.377 2.735 297 HD1 TRP 36 HD1 TRP 36 -7.769 -5.371 3.805 298 HE1 TRP 36 HE1 TRP 36 -7.404 -6.372 6.151 299 HE3 TRP 36 HE3 TRP 36 -3.916 -2.404 5.356 300 HZ2 TRP 36 HZ2 TRP 36 -5.706 -5.951 8.364 301 HZ3 TRP 36 HZ3 TRP 36 -2.976 -2.765 7.595 302 HH2 TRP 36 HH2 TRP 36 -3.860 -4.501 9.068 303 H THR 37 H THR 37 -5.208 0.601 3.945 304 HA THR 37 HA THR 37 -3.275 0.515 1.715 305 HB THR 37 HB THR 37 -5.249 1.993 1.232 306 HG1 THR 37 HG1 THR 37 -3.262 3.858 1.335 307 1HG2 THR 37 2HG2 THR 37 -4.079 3.627 3.490 308 2HG2 THR 37 1HG2 THR 37 -5.363 4.150 2.400 309 3HG2 THR 37 3HG2 THR 37 -5.639 2.804 3.505 310 H ARG 38 H ARG 38 -2.019 3.011 2.288 311 HA ARG 38 HA ARG 38 -0.558 2.234 4.678 312 1HB ARG 38 HB2 ARG 38 0.010 3.935 2.323 313 2HB ARG 38 HB3 ARG 38 0.738 4.441 3.833 314 1HG ARG 38 HG2 ARG 38 1.924 2.440 4.065 315 2HG ARG 38 HG3 ARG 38 1.014 1.671 2.764 316 1HD ARG 38 HD2 ARG 38 3.329 2.465 2.188 317 2HD ARG 38 HD3 ARG 38 2.061 2.989 1.119 318 HE ARG 38 HE ARG 38 2.252 5.174 2.072 319 1HH1 ARG 38 1HH1 ARG 38 4.679 2.902 3.115 320 2HH1 ARG 38 2HH1 ARG 38 5.829 4.124 3.543 321 1HH2 ARG 38 1HH2 ARG 38 3.780 6.795 2.615 322 2HH2 ARG 38 2HH2 ARG 38 5.317 6.333 3.262 323 H VAL 39 H VAL 39 -0.014 3.791 6.347 324 HA VAL 39 HA VAL 39 -2.330 5.215 7.232 325 HB VAL 39 HB VAL 39 0.443 5.203 8.432 326 1HG1 VAL 39 3HG1 VAL 39 -2.231 5.934 9.618 327 2HG1 VAL 39 2HG1 VAL 39 -0.711 5.835 10.506 328 3HG1 VAL 39 1HG1 VAL 39 -0.915 7.045 9.239 329 1HG2 VAL 39 3HG2 VAL 39 -0.781 2.958 8.116 330 2HG2 VAL 39 2HG2 VAL 39 -0.128 3.345 9.709 331 3HG2 VAL 39 1HG2 VAL 39 -1.855 3.536 9.389 332 H GLY 40 H GLY 40 -2.809 7.314 7.054 333 1HA GLY 40 HA3 GLY 40 -0.743 9.309 6.689 334 2HA GLY 40 HA2 GLY 40 -2.468 9.607 6.849 335 H PHE 41 H PHE 41 -2.591 7.366 4.635 336 HA PHE 41 HA PHE 41 -2.397 9.282 2.419 337 1HB PHE 41 HB2 PHE 41 -1.480 6.404 2.275 338 2HB PHE 41 HB3 PHE 41 -1.411 7.592 0.977 339 HD1 PHE 41 HD1 PHE 41 0.025 9.672 1.364 340 HD2 PHE 41 HD2 PHE 41 0.274 6.165 3.752 341 HE1 PHE 41 HE1 PHE 41 2.250 10.373 2.147 342 HE2 PHE 41 HE2 PHE 41 2.501 6.856 4.544 343 HZ PHE 41 HZ PHE 41 3.491 8.964 3.741 344 H VAL 42 H VAL 42 -4.251 7.279 4.196 345 HA VAL 42 HA VAL 42 -5.820 5.819 2.450 346 HB VAL 42 HB VAL 42 -6.891 7.289 4.857 347 1HG1 VAL 42 3HG1 VAL 42 -8.512 6.149 3.345 348 2HG1 VAL 42 2HG1 VAL 42 -7.687 4.630 3.691 349 3HG1 VAL 42 1HG1 VAL 42 -8.487 5.514 4.990 350 1HG2 VAL 42 1HG2 VAL 42 -4.703 5.979 5.176 351 2HG2 VAL 42 3HG2 VAL 42 -6.042 5.656 6.273 352 3HG2 VAL 42 2HG2 VAL 42 -5.703 4.544 4.948 353 H GLY 43 H GLY 43 -6.936 6.424 0.727 354 1HA GLY 43 HA3 GLY 43 -8.474 8.924 0.830 355 2HA GLY 43 HA2 GLY 43 -8.751 7.590 -0.281 356 H LYS 44 H LYS 44 -5.560 8.836 0.348 357 HA LYS 44 HA LYS 44 -5.449 10.685 -1.793 358 1HB LYS 44 HB2 LYS 44 -3.244 9.235 -0.318 359 2HB LYS 44 HB3 LYS 44 -2.998 10.581 -1.416 360 1HG LYS 44 HG2 LYS 44 -4.429 11.972 0.079 361 2HG LYS 44 HG3 LYS 44 -4.449 10.622 1.218 362 1HD LYS 44 HD2 LYS 44 -2.008 10.716 1.370 363 2HD LYS 44 HD3 LYS 44 -1.989 12.067 0.236 364 1HE LYS 44 HE2 LYS 44 -3.310 13.401 1.808 365 2HE LYS 44 HE3 LYS 44 -3.318 12.052 2.942 366 1HZ LYS 44 HZ2 LYS 44 -0.902 13.496 1.996 367 2HZ LYS 44 HZ1 LYS 44 -1.628 13.677 3.513 368 3HZ LYS 44 HZ3 LYS 44 -0.912 12.204 3.088 369 H ASP 45 H ASP 45 -3.676 10.380 -3.533 370 HA ASP 45 HA ASP 45 -4.432 8.116 -5.116 371 1HB ASP 45 HB2 ASP 45 -2.574 10.449 -5.539 372 2HB ASP 45 HB3 ASP 45 -2.734 9.158 -6.718 373 H VAL 46 H VAL 46 -1.256 9.360 -4.105 374 HA VAL 46 HA VAL 46 -0.202 6.618 -4.235 375 HB VAL 46 HB VAL 46 0.905 8.355 -5.638 376 1HG1 VAL 46 3HG1 VAL 46 1.686 9.519 -2.971 377 2HG1 VAL 46 2HG1 VAL 46 2.351 10.005 -4.531 378 3HG1 VAL 46 1HG1 VAL 46 0.644 10.269 -4.180 379 1HG2 VAL 46 3HG2 VAL 46 2.601 7.146 -3.456 380 2HG2 VAL 46 2HG2 VAL 46 2.114 6.356 -4.956 381 3HG2 VAL 46 1HG2 VAL 46 3.197 7.747 -5.003 382 H LEU 47 H LEU 47 0.860 5.709 -2.541 383 HA LEU 47 HA LEU 47 0.409 6.947 0.063 384 1HB LEU 47 HB2 LEU 47 1.543 4.213 -0.330 385 2HB LEU 47 HB3 LEU 47 0.566 4.821 0.990 386 HG LEU 47 HG LEU 47 -0.448 4.258 -1.798 387 1HD1 LEU 47 2HD1 LEU 47 -0.715 2.689 0.760 388 2HD1 LEU 47 1HD1 LEU 47 -1.631 2.373 -0.714 389 3HD1 LEU 47 3HD1 LEU 47 0.124 2.192 -0.710 390 1HD2 LEU 47 1HD2 LEU 47 -1.893 5.043 0.725 391 2HD2 LEU 47 3HD2 LEU 47 -1.710 6.021 -0.732 392 3HD2 LEU 47 2HD2 LEU 47 -2.668 4.540 -0.778 393 H SER 48 H SER 48 2.985 5.305 -1.718 394 HA SER 48 HA SER 48 5.130 5.717 -0.064 395 1HB SER 48 HB2 SER 48 6.501 5.353 -1.986 396 2HB SER 48 HB3 SER 48 5.038 4.405 -2.219 397 HG SER 48 HG SER 48 5.967 6.604 -3.611 398 H ASP 49 H ASP 49 7.104 7.158 -0.918 399 HA ASP 49 HA ASP 49 6.335 9.822 -1.720 400 1HB ASP 49 HB2 ASP 49 7.256 9.242 1.089 401 2HB ASP 49 HB3 ASP 49 7.449 10.829 0.350 402 H GLU 50 H GLU 50 9.069 9.186 0.351 403 HA GLU 50 HA GLU 50 10.859 9.219 -1.980 404 1HB GLU 50 HB2 GLU 50 12.343 10.734 -0.804 405 2HB GLU 50 HB3 GLU 50 10.734 11.440 -0.915 406 1HG GLU 50 HG2 GLU 50 10.272 10.804 1.380 407 2HG GLU 50 HG3 GLU 50 11.866 10.061 1.506 408 H ILE 51 H ILE 51 10.191 8.146 1.259 409 HA ILE 51 HA ILE 51 12.703 6.829 1.672 410 HB ILE 51 HB ILE 51 10.108 6.309 3.118 411 1HG1 ILE 51 2HG1 ILE 51 10.669 8.738 3.035 412 2HG1 ILE 51 3HG1 ILE 51 10.685 8.061 4.657 413 1HG2 ILE 51 3HG2 ILE 51 12.995 5.941 3.895 414 2HG2 ILE 51 2HG2 ILE 51 11.630 5.749 4.995 415 3HG2 ILE 51 1HG2 ILE 51 11.800 4.678 3.604 416 1HD1 ILE 51 2HD1 ILE 51 13.119 8.566 2.962 417 2HD1 ILE 51 1HD1 ILE 51 12.543 9.606 4.265 418 3HD1 ILE 51 3HD1 ILE 51 13.105 7.972 4.622 419 H LEU 52 H LEU 52 9.479 5.361 1.736 420 HA LEU 52 HA LEU 52 10.594 3.003 0.386 421 1HB LEU 52 HB2 LEU 52 8.378 3.444 2.321 422 2HB LEU 52 HB3 LEU 52 8.218 2.119 1.185 423 HG LEU 52 HG LEU 52 10.621 2.438 2.966 424 1HD1 LEU 52 2HD1 LEU 52 8.099 0.874 3.484 425 2HD1 LEU 52 1HD1 LEU 52 9.581 0.769 4.435 426 3HD1 LEU 52 3HD1 LEU 52 8.666 2.276 4.389 427 1HD2 LEU 52 1HD2 LEU 52 10.725 0.996 0.905 428 2HD2 LEU 52 3HD2 LEU 52 11.074 0.177 2.427 429 3HD2 LEU 52 2HD2 LEU 52 9.501 -0.026 1.656 430 H GLU 53 H GLU 53 10.242 2.895 -1.745 431 HA GLU 53 HA GLU 53 8.186 4.345 -3.069 432 1HB GLU 53 HB2 GLU 53 10.388 2.572 -3.812 433 2HB GLU 53 HB3 GLU 53 8.973 2.367 -4.835 434 1HG GLU 53 HG2 GLU 53 9.726 5.143 -4.330 435 2HG GLU 53 HG3 GLU 53 10.924 4.200 -5.213 436 H VAL 54 H VAL 54 6.511 3.461 -1.553 437 HA VAL 54 HA VAL 54 5.651 0.760 -1.877 438 HB VAL 54 HB VAL 54 4.004 3.005 -0.742 439 1HG1 VAL 54 2HG1 VAL 54 2.845 0.902 -1.150 440 2HG1 VAL 54 1HG1 VAL 54 4.063 0.038 -0.211 441 3HG1 VAL 54 3HG1 VAL 54 3.005 1.206 0.578 442 1HG2 VAL 54 1HG2 VAL 54 6.279 1.490 0.488 443 2HG2 VAL 54 3HG2 VAL 54 5.983 3.228 0.474 444 3HG2 VAL 54 2HG2 VAL 54 4.988 2.170 1.474 445 H VAL 55 H VAL 55 5.300 0.510 -4.107 446 HA VAL 55 HA VAL 55 3.256 2.117 -5.388 447 HB VAL 55 HB VAL 55 4.631 -0.349 -6.449 448 1HG1 VAL 55 3HG1 VAL 55 2.508 0.289 -7.541 449 2HG1 VAL 55 2HG1 VAL 55 3.196 1.874 -7.893 450 3HG1 VAL 55 1HG1 VAL 55 3.899 0.428 -8.619 451 1HG2 VAL 55 2HG2 VAL 55 6.284 1.367 -5.903 452 2HG2 VAL 55 1HG2 VAL 55 6.122 1.186 -7.651 453 3HG2 VAL 55 3HG2 VAL 55 5.368 2.554 -6.831 454 H CYS 56 H CYS 56 1.440 1.667 -4.223 455 HA CYS 56 HA CYS 56 0.581 -1.105 -3.944 456 1HB CYS 56 HB2 CYS 56 0.444 0.293 -1.953 457 2HB CYS 56 HB3 CYS 56 -0.587 1.437 -2.805 458 HG CYS 56 HG CYS 56 -2.368 -1.014 -3.248 459 H LYS 57 H LYS 57 -1.290 -1.922 -4.766 460 HA LYS 57 HA LYS 57 -2.809 -0.232 -6.623 461 1HB LYS 57 HB2 LYS 57 -2.204 -3.117 -7.168 462 2HB LYS 57 HB3 LYS 57 -2.855 -1.919 -8.270 463 1HG LYS 57 HG2 LYS 57 -0.710 -0.743 -8.264 464 2HG LYS 57 HG3 LYS 57 -0.052 -1.965 -7.173 465 1HD LYS 57 HD2 LYS 57 -0.435 -3.688 -8.863 466 2HD LYS 57 HD3 LYS 57 -1.109 -2.474 -9.953 467 1HE LYS 57 HE2 LYS 57 1.039 -1.297 -9.963 468 2HE LYS 57 HE3 LYS 57 1.710 -2.518 -8.883 469 1HZ LYS 57 HZ2 LYS 57 1.330 -4.185 -10.592 470 2HZ LYS 57 HZ1 LYS 57 0.690 -3.012 -11.629 471 3HZ LYS 57 HZ3 LYS 57 2.319 -2.944 -11.177 472 H TYR 58 H TYR 58 -4.469 -0.004 -5.230 473 HA TYR 58 HA TYR 58 -5.634 -1.951 -3.625 474 1HB TYR 58 HB2 TYR 58 -5.984 0.479 -3.359 475 2HB TYR 58 HB3 TYR 58 -6.908 0.504 -4.857 476 HD1 TYR 58 HD1 TYR 58 -7.172 0.550 -1.395 477 HD2 TYR 58 HD2 TYR 58 -8.917 -1.283 -4.835 478 HE1 TYR 58 HE1 TYR 58 -9.267 0.160 -0.145 479 HE2 TYR 58 HE2 TYR 58 -10.993 -1.697 -3.589 480 HH TYR 58 HH TYR 58 -11.655 -0.208 -0.605 481 H THR 59 H THR 59 -5.688 -1.549 -6.898 482 HA THR 59 HA THR 59 -7.052 -2.212 -8.646 483 HB THR 59 HB THR 59 -6.574 -4.812 -7.180 484 HG1 THR 59 HG1 THR 59 -4.626 -4.819 -8.464 485 1HG2 THR 59 2HG2 THR 59 -6.950 -4.211 -10.116 486 2HG2 THR 59 1HG2 THR 59 -6.556 -5.789 -9.435 487 3HG2 THR 59 3HG2 THR 59 -8.106 -5.033 -9.068 488 HA PRO 60 HA PRO 60 -11.115 -2.777 -6.651 489 1HB PRO 60 HB2 PRO 60 -12.047 -0.313 -6.862 490 2HB PRO 60 HB3 PRO 60 -10.786 -0.675 -5.679 491 1HG PRO 60 HG2 PRO 60 -10.592 0.749 -8.282 492 2HG PRO 60 HG3 PRO 60 -9.621 0.954 -6.816 493 1HD PRO 60 HD2 PRO 60 -9.005 -0.606 -9.147 494 2HD PRO 60 HD3 PRO 60 -8.036 -0.398 -7.673 495 H THR 61 H THR 61 -10.051 -2.426 -9.708 496 HA THR 61 HA THR 61 -12.227 -1.502 -11.193 497 HB THR 61 HB THR 61 -10.667 -3.727 -12.376 498 HG1 THR 61 HG1 THR 61 -9.001 -2.809 -11.234 499 1HG2 THR 61 3HG2 THR 61 -11.317 -0.911 -13.247 500 2HG2 THR 61 2HG2 THR 61 -10.467 -2.107 -14.227 501 3HG2 THR 61 1HG2 THR 61 -12.144 -2.383 -13.755 502 HA PRO 62 HA PRO 62 -15.109 -4.851 -10.638 503 1HB PRO 62 HB2 PRO 62 -16.966 -4.118 -12.431 504 2HB PRO 62 HB3 PRO 62 -16.700 -3.201 -10.943 505 1HG PRO 62 HG2 PRO 62 -15.735 -2.632 -13.720 506 2HG PRO 62 HG3 PRO 62 -16.409 -1.515 -12.520 507 1HD PRO 62 HD2 PRO 62 -13.726 -1.807 -12.995 508 2HD PRO 62 HD3 PRO 62 -14.401 -1.272 -11.444 509 H SER 63 H SER 63 -14.792 -6.865 -11.347 510 HA SER 63 HA SER 63 -13.791 -7.404 -13.981 511 1HB SER 63 HB2 SER 63 -14.557 -9.164 -11.650 512 2HB SER 63 HB3 SER 63 -13.962 -9.799 -13.177 513 HG SER 63 HG SER 63 -12.486 -7.792 -11.920 514 H SER 64 H SER 64 -14.832 -8.419 -15.661 515 HA SER 64 HA SER 64 -17.762 -8.582 -15.427 516 1HB SER 64 HB2 SER 64 -16.050 -8.152 -17.888 517 2HB SER 64 HB3 SER 64 -17.810 -8.256 -17.877 518 HG SER 64 HG SER 64 -17.832 -6.402 -16.538 519 H THR 65 H THR 65 -14.894 -10.217 -16.674 520 HA THR 65 HA THR 65 -16.208 -12.769 -16.401 521 HB THR 65 HB THR 65 -15.141 -12.001 -19.122 522 HG1 THR 65 HG1 THR 65 -17.144 -10.976 -18.723 523 1HG2 THR 65 1HG2 THR 65 -16.606 -14.463 -18.158 524 2HG2 THR 65 3HG2 THR 65 -16.134 -14.135 -19.825 525 3HG2 THR 65 2HG2 THR 65 -14.898 -14.374 -18.589 526 HA PRO 66 HA PRO 66 -11.560 -13.405 -16.933 527 1HB PRO 66 HB2 PRO 66 -10.145 -11.643 -18.464 528 2HB PRO 66 HB3 PRO 66 -11.123 -12.944 -19.138 529 1HG PRO 66 HG2 PRO 66 -11.562 -10.100 -19.293 530 2HG PRO 66 HG3 PRO 66 -12.478 -11.394 -20.073 531 1HD PRO 66 HD2 PRO 66 -13.044 -9.920 -17.575 532 2HD PRO 66 HD3 PRO 66 -14.159 -10.791 -18.649 533 H MET 67 H MET 67 -9.267 -11.655 -17.057 534 HA MET 67 HA MET 67 -7.900 -10.485 -15.671 535 1HB MET 67 HB2 MET 67 -10.469 -9.068 -14.940 536 2HB MET 67 HB3 MET 67 -8.852 -8.501 -14.550 537 1HG MET 67 HG2 MET 67 -8.344 -8.313 -16.933 538 2HG MET 67 HG3 MET 67 -9.970 -8.873 -17.319 539 1HE MET 67 HE3 MET 67 -8.711 -6.170 -18.463 540 2HE MET 67 HE2 MET 67 -10.337 -6.730 -18.855 541 3HE MET 67 HE1 MET 67 -10.084 -5.076 -18.297 542 H VAL 68 H VAL 68 -7.188 -11.995 -14.246 543 HA VAL 68 HA VAL 68 -8.827 -12.709 -11.950 544 HB VAL 68 HB VAL 68 -7.655 -14.521 -13.058 545 1HG1 VAL 68 3HG1 VAL 68 -5.125 -13.030 -12.369 546 2HG1 VAL 68 2HG1 VAL 68 -5.205 -14.652 -13.057 547 3HG1 VAL 68 1HG1 VAL 68 -5.787 -13.270 -13.985 548 1HG2 VAL 68 2HG2 VAL 68 -8.006 -14.701 -10.651 549 2HG2 VAL 68 1HG2 VAL 68 -6.508 -15.500 -11.132 550 3HG2 VAL 68 3HG2 VAL 68 -6.453 -13.917 -10.358 551 H GLY 69 H GLY 69 -8.484 -12.049 -9.903 552 1HA GLY 69 HA3 GLY 69 -5.988 -10.831 -9.101 553 2HA GLY 69 HA2 GLY 69 -7.398 -11.096 -8.085 554 H VAL 70 H VAL 70 -9.300 -9.752 -9.692 555 HA VAL 70 HA VAL 70 -8.510 -6.994 -9.126 556 HB VAL 70 HB VAL 70 -9.777 -7.845 -11.736 557 1HG1 VAL 70 1HG1 VAL 70 -9.118 -5.116 -10.635 558 2HG1 VAL 70 3HG1 VAL 70 -9.504 -5.432 -12.327 559 3HG1 VAL 70 2HG1 VAL 70 -10.704 -5.745 -11.075 560 1HG2 VAL 70 3HG2 VAL 70 -7.393 -8.334 -11.669 561 2HG2 VAL 70 2HG2 VAL 70 -7.723 -6.993 -12.766 562 3HG2 VAL 70 1HG2 VAL 70 -7.055 -6.679 -11.165 563 H GLY 71 H GLY 71 -9.882 -7.342 -7.288 564 1HA GLY 71 HA3 GLY 71 -12.327 -8.165 -6.888 565 2HA GLY 71 HA2 GLY 71 -12.684 -6.794 -7.925 566 H GLY 72 H GLY 72 -10.130 -5.619 -6.554 567 1HA GLY 72 HA3 GLY 72 -11.609 -4.445 -4.332 568 2HA GLY 72 HA2 GLY 72 -10.247 -3.711 -5.142 569 H ILE 73 H ILE 73 -8.176 -5.021 -4.948 570 HA ILE 73 HA ILE 73 -8.030 -6.104 -2.216 571 HB ILE 73 HB ILE 73 -5.967 -7.295 -2.886 572 1HG1 ILE 73 2HG1 ILE 73 -6.768 -7.009 -5.747 573 2HG1 ILE 73 3HG1 ILE 73 -5.703 -5.817 -5.000 574 1HG2 ILE 73 3HG2 ILE 73 -8.220 -8.346 -2.764 575 2HG2 ILE 73 2HG2 ILE 73 -8.285 -8.218 -4.524 576 3HG2 ILE 73 1HG2 ILE 73 -7.019 -9.181 -3.752 577 1HD1 ILE 73 3HD1 ILE 73 -4.160 -7.619 -4.367 578 2HD1 ILE 73 2HD1 ILE 73 -5.215 -8.782 -5.176 579 3HD1 ILE 73 1HD1 ILE 73 -4.406 -7.526 -6.115 580 H TYR 74 H TYR 74 -5.074 -6.101 -2.363 581 HA TYR 74 HA TYR 74 -4.430 -3.286 -2.572 582 1HB TYR 74 HB2 TYR 74 -3.874 -4.638 0.051 583 2HB TYR 74 HB3 TYR 74 -3.965 -2.916 -0.311 584 HD1 TYR 74 HD1 TYR 74 -6.094 -1.764 -0.340 585 HD2 TYR 74 HD2 TYR 74 -5.934 -5.957 0.356 586 HE1 TYR 74 HE1 TYR 74 -8.441 -1.741 0.389 587 HE2 TYR 74 HE2 TYR 74 -8.277 -5.937 1.084 588 HH TYR 74 HH TYR 74 -10.334 -3.296 0.569 589 H VAL 75 H VAL 75 -3.062 -4.152 -4.241 590 HA VAL 75 HA VAL 75 -0.936 -5.978 -3.547 591 HB VAL 75 HB VAL 75 -1.353 -4.321 -6.044 592 1HG1 VAL 75 3HG1 VAL 75 0.641 -6.513 -5.476 593 2HG1 VAL 75 2HG1 VAL 75 0.342 -5.798 -7.060 594 3HG1 VAL 75 1HG1 VAL 75 1.002 -4.810 -5.756 595 1HG2 VAL 75 3HG2 VAL 75 -1.904 -7.215 -5.424 596 2HG2 VAL 75 2HG2 VAL 75 -3.078 -5.962 -5.827 597 3HG2 VAL 75 1HG2 VAL 75 -1.935 -6.523 -7.046 598 H VAL 76 H VAL 76 0.245 -5.005 -1.931 599 HA VAL 76 HA VAL 76 1.288 -2.326 -2.347 600 HB VAL 76 HB VAL 76 1.741 -4.198 -0.024 601 1HG1 VAL 76 2HG1 VAL 76 2.246 -1.252 -0.404 602 2HG1 VAL 76 1HG1 VAL 76 2.285 -2.065 1.160 603 3HG1 VAL 76 3HG1 VAL 76 3.437 -2.515 -0.097 604 1HG2 VAL 76 2HG2 VAL 76 -0.634 -3.706 -0.310 605 2HG2 VAL 76 1HG2 VAL 76 0.008 -2.907 1.125 606 3HG2 VAL 76 3HG2 VAL 76 -0.280 -1.979 -0.347 607 H LEU 77 H LEU 77 3.117 -1.987 -3.392 608 HA LEU 77 HA LEU 77 5.220 -4.045 -3.319 609 1HB LEU 77 HB2 LEU 77 4.662 -1.873 -5.337 610 2HB LEU 77 HB3 LEU 77 6.132 -2.827 -5.332 611 HG LEU 77 HG LEU 77 3.328 -3.898 -5.709 612 1HD1 LEU 77 2HD1 LEU 77 5.596 -3.564 -7.666 613 2HD1 LEU 77 1HD1 LEU 77 4.050 -4.343 -8.002 614 3HD1 LEU 77 3HD1 LEU 77 4.107 -2.621 -7.630 615 1HD2 LEU 77 3HD2 LEU 77 5.117 -5.351 -4.550 616 2HD2 LEU 77 2HD2 LEU 77 4.224 -6.029 -5.915 617 3HD2 LEU 77 1HD2 LEU 77 5.864 -5.423 -6.147 618 H VAL 78 H VAL 78 6.317 -3.466 -1.498 619 HA VAL 78 HA VAL 78 7.007 -0.659 -1.118 620 HB VAL 78 HB VAL 78 8.202 -2.398 0.839 621 1HG1 VAL 78 1HG1 VAL 78 7.728 -0.015 1.154 622 2HG1 VAL 78 3HG1 VAL 78 5.995 -0.332 1.018 623 3HG1 VAL 78 2HG1 VAL 78 6.913 -0.988 2.377 624 1HG2 VAL 78 3HG2 VAL 78 6.417 -3.954 0.215 625 2HG2 VAL 78 2HG2 VAL 78 6.182 -3.313 1.839 626 3HG2 VAL 78 1HG2 VAL 78 5.222 -2.689 0.498 627 H LYS 79 H LYS 79 8.634 0.001 -2.337 628 HA LYS 79 HA LYS 79 11.041 -1.683 -2.540 629 1HB LYS 79 HB2 LYS 79 9.758 0.285 -4.380 630 2HB LYS 79 HB3 LYS 79 11.505 0.094 -4.446 631 1HG LYS 79 HG2 LYS 79 11.182 -2.331 -4.817 632 2HG LYS 79 HG3 LYS 79 9.431 -2.051 -4.883 633 1HD LYS 79 HD2 LYS 79 11.460 -0.749 -6.703 634 2HD LYS 79 HD3 LYS 79 10.499 -2.168 -7.121 635 1HE LYS 79 HE2 LYS 79 9.420 0.560 -6.416 636 2HE LYS 79 HE3 LYS 79 9.516 -0.129 -8.037 637 1HZ LYS 79 HZ2 LYS 79 8.001 -1.879 -7.343 638 2HZ LYS 79 HZ1 LYS 79 7.908 -1.217 -5.790 639 3HZ LYS 79 HZ3 LYS 79 7.300 -0.357 -7.114 640 HA PRO 80 HA PRO 80 12.422 1.475 0.503 641 1HB PRO 80 HB2 PRO 80 14.920 0.158 0.604 642 2HB PRO 80 HB3 PRO 80 13.607 0.053 1.776 643 1HG PRO 80 HG2 PRO 80 14.341 -1.802 -0.415 644 2HG PRO 80 HG3 PRO 80 13.556 -2.145 1.136 645 1HD PRO 80 HD2 PRO 80 12.198 -2.166 -1.187 646 2HD PRO 80 HD3 PRO 80 11.455 -1.623 0.333 647 H ARG 81 H ARG 81 12.627 3.226 -0.799 648 HA ARG 81 HA ARG 81 14.359 3.458 -3.004 649 1HB ARG 81 HB2 ARG 81 12.499 5.113 -1.581 650 2HB ARG 81 HB3 ARG 81 13.972 6.024 -1.873 651 1HG ARG 81 HG2 ARG 81 13.792 5.685 -4.229 652 2HG ARG 81 HG3 ARG 81 12.461 4.546 -4.011 653 1HD ARG 81 HD2 ARG 81 11.053 6.313 -3.132 654 2HD ARG 81 HD3 ARG 81 12.387 7.464 -3.250 655 HE ARG 81 HE ARG 81 11.728 6.219 -5.752 656 1HH1 ARG 81 1HH1 ARG 81 10.959 8.826 -3.572 657 2HH1 ARG 81 2HH1 ARG 81 10.280 9.831 -4.809 658 1HH2 ARG 81 1HH2 ARG 81 10.836 7.535 -7.386 659 2HH2 ARG 81 2HH2 ARG 81 10.209 9.096 -6.976 660 H LYS 82 H LYS 82 14.786 4.005 0.420 661 HA LYS 82 HA LYS 82 17.604 4.708 -0.081 662 1HB LYS 82 HB2 LYS 82 15.978 5.548 2.323 663 2HB LYS 82 HB3 LYS 82 17.587 6.099 1.878 664 1HG LYS 82 HG2 LYS 82 16.675 7.211 -0.090 665 2HG LYS 82 HG3 LYS 82 15.058 6.644 0.337 666 1HD LYS 82 HD2 LYS 82 15.228 7.884 2.469 667 2HD LYS 82 HD3 LYS 82 16.793 8.514 1.948 668 1HE LYS 82 HE2 LYS 82 14.164 8.938 0.529 669 2HE LYS 82 HE3 LYS 82 14.983 10.120 1.549 670 1HZ LYS 82 HZ1 LYS 82 16.845 10.105 0.007 671 2HZ LYS 82 HZ3 LYS 82 16.054 8.975 -0.973 672 3HZ LYS 82 HZ2 LYS 82 15.414 10.529 -0.787 673 H ARG 83 H ARG 83 18.745 4.405 2.297 674 HA ARG 83 HA ARG 83 18.024 1.707 3.222 675 1HB ARG 83 HB2 ARG 83 20.800 2.724 2.596 676 2HB ARG 83 HB3 ARG 83 20.456 1.202 3.405 677 1HG ARG 83 HG2 ARG 83 19.217 0.451 1.415 678 2HG ARG 83 HG3 ARG 83 19.651 1.957 0.605 679 1HD ARG 83 HD2 ARG 83 21.587 -0.106 1.646 680 2HD ARG 83 HD3 ARG 83 21.133 0.118 -0.042 681 HE ARG 83 HE ARG 83 22.093 2.554 0.938 682 1HH1 ARG 83 1HH1 ARG 83 23.253 -0.652 0.221 683 2HH1 ARG 83 2HH1 ARG 83 24.864 -0.129 -0.139 684 1HH2 ARG 83 1HH2 ARG 83 24.210 3.252 0.467 685 2HH2 ARG 83 2HH2 ARG 83 25.409 2.091 0.001 686 H GLY 84 H GLY 84 17.554 1.749 5.305 687 1HA GLY 84 HA3 GLY 84 18.287 3.965 6.978 688 2HA GLY 84 HA2 GLY 84 19.176 2.501 7.374 689 H HIS 85 H HIS 85 16.325 4.242 7.848 690 HA HIS 85 HA HIS 85 15.075 1.909 9.141 691 1HB HIS 85 HB2 HIS 85 14.955 4.809 9.986 692 2HB HIS 85 HB3 HIS 85 14.104 3.484 10.772 693 HD1 HIS 85 HD1 HIS 85 17.346 5.213 10.661 694 HD2 HIS 85 HD2 HIS 85 15.838 1.633 12.138 695 HE1 HIS 85 HE1 HIS 85 19.082 4.365 12.271 696 HE2 HIS 85 HE2 HIS 85 18.186 2.157 13.087 697 H HIS 86 H HIS 86 13.762 1.342 7.439 698 HA HIS 86 HA HIS 86 11.747 3.327 6.613 699 1HB HIS 86 HB2 HIS 86 12.639 0.818 5.173 700 2HB HIS 86 HB3 HIS 86 11.423 1.952 4.600 701 HD1 HIS 86 HD1 HIS 86 14.487 3.389 6.121 702 HD2 HIS 86 HD2 HIS 86 13.044 2.458 2.340 703 HE1 HIS 86 HE1 HIS 86 16.021 4.560 4.511 704 HE2 HIS 86 HE2 HIS 86 15.062 4.068 2.234 705 H THR 87 H THR 87 9.551 2.532 6.289 706 HA THR 87 HA THR 87 8.824 -0.026 7.389 707 HB THR 87 HB THR 87 7.924 2.458 8.857 708 HG1 THR 87 HG1 THR 87 9.455 0.375 9.992 709 1HG2 THR 87 2HG2 THR 87 6.259 0.633 8.737 710 2HG2 THR 87 1HG2 THR 87 7.440 -0.461 9.455 711 3HG2 THR 87 3HG2 THR 87 6.840 0.917 10.378 712 H LEU 88 H LEU 88 6.731 -0.645 6.898 713 HA LEU 88 HA LEU 88 5.256 1.190 5.127 714 1HB LEU 88 HB2 LEU 88 6.003 -0.680 3.872 715 2HB LEU 88 HB3 LEU 88 5.524 -1.804 5.123 716 HG LEU 88 HG LEU 88 3.114 -0.998 4.633 717 1HD1 LEU 88 3HD1 LEU 88 3.743 0.931 3.277 718 2HD1 LEU 88 2HD1 LEU 88 4.495 -0.141 2.097 719 3HD1 LEU 88 1HD1 LEU 88 2.753 -0.205 2.362 720 1HD2 LEU 88 3HD2 LEU 88 4.652 -2.641 2.632 721 2HD2 LEU 88 2HD2 LEU 88 3.917 -3.228 4.122 722 3HD2 LEU 88 1HD2 LEU 88 2.900 -2.626 2.814 723 H GLU 89 H GLU 89 3.973 2.131 6.694 724 HA GLU 89 HA GLU 89 2.514 0.561 8.587 725 1HB GLU 89 HB2 GLU 89 2.397 3.472 7.819 726 2HB GLU 89 HB3 GLU 89 1.405 2.759 9.084 727 1HG GLU 89 HG2 GLU 89 3.349 2.139 10.324 728 2HG GLU 89 HG3 GLU 89 4.406 2.727 9.044 729 H LEU 90 H LEU 90 1.151 -0.854 7.520 730 HA LEU 90 HA LEU 90 -0.887 0.354 5.783 731 1HB LEU 90 HB2 LEU 90 -0.087 -2.522 6.206 732 2HB LEU 90 HB3 LEU 90 -1.504 -2.049 5.295 733 HG LEU 90 HG LEU 90 1.352 -1.349 4.607 734 1HD1 LEU 90 3HD1 LEU 90 -0.610 -3.277 3.379 735 2HD1 LEU 90 2HD1 LEU 90 0.927 -2.810 2.654 736 3HD1 LEU 90 1HD1 LEU 90 0.904 -3.672 4.190 737 1HD2 LEU 90 1HD2 LEU 90 -1.227 -0.728 3.171 738 2HD2 LEU 90 3HD2 LEU 90 -0.145 0.436 3.937 739 3HD2 LEU 90 2HD2 LEU 90 0.392 -0.466 2.521 740 H VAL 91 H VAL 91 -2.995 0.436 6.375 741 HA VAL 91 HA VAL 91 -3.788 -0.911 8.856 742 HB VAL 91 HB VAL 91 -3.066 1.326 9.500 743 1HG1 VAL 91 3HG1 VAL 91 -5.074 2.267 7.454 744 2HG1 VAL 91 2HG1 VAL 91 -4.316 3.309 8.660 745 3HG1 VAL 91 1HG1 VAL 91 -3.325 2.515 7.435 746 1HG2 VAL 91 2HG2 VAL 91 -6.058 0.966 9.577 747 2HG2 VAL 91 1HG2 VAL 91 -4.886 0.383 10.761 748 3HG2 VAL 91 3HG2 VAL 91 -5.154 2.116 10.564 749 H TYR 92 H TYR 92 -6.044 -1.147 9.146 750 HA TYR 92 HA TYR 92 -7.595 -1.086 6.662 751 1HB TYR 92 HB2 TYR 92 -7.316 -3.162 8.218 752 2HB TYR 92 HB3 TYR 92 -8.501 -2.352 9.235 753 HD1 TYR 92 HD1 TYR 92 -10.376 -3.731 9.066 754 HD2 TYR 92 HD2 TYR 92 -8.387 -2.489 5.516 755 HE1 TYR 92 HE1 TYR 92 -12.189 -4.702 7.717 756 HE2 TYR 92 HE2 TYR 92 -10.196 -3.453 4.157 757 HH TYR 92 HH TYR 92 -13.163 -4.435 5.475 758 H THR 93 H THR 93 -8.281 1.041 6.530 759 HA THR 93 HA THR 93 -9.990 2.003 8.740 760 HB THR 93 HB THR 93 -7.891 3.223 8.780 761 HG1 THR 93 HG1 THR 93 -9.481 5.148 7.588 762 1HG2 THR 93 3HG2 THR 93 -8.413 3.379 5.861 763 2HG2 THR 93 2HG2 THR 93 -7.657 4.782 6.623 764 3HG2 THR 93 1HG2 THR 93 -6.888 3.195 6.731 765 H ARG 94 H ARG 94 -11.642 3.506 8.166 766 HA ARG 94 HA ARG 94 -12.695 3.079 5.481 767 1HB ARG 94 HB2 ARG 94 -13.931 4.472 7.865 768 2HB ARG 94 HB3 ARG 94 -14.752 4.097 6.357 769 1HG ARG 94 HG2 ARG 94 -14.516 1.724 6.789 770 2HG ARG 94 HG3 ARG 94 -13.615 2.066 8.266 771 1HD ARG 94 HD2 ARG 94 -15.921 1.528 8.789 772 2HD ARG 94 HD3 ARG 94 -15.573 3.209 9.190 773 HE ARG 94 HE ARG 94 -16.631 3.074 6.589 774 1HH1 ARG 94 1HH1 ARG 94 -17.592 2.674 9.914 775 2HH1 ARG 94 2HH1 ARG 94 -19.239 3.126 9.627 776 1HH2 ARG 94 1HH2 ARG 94 -18.798 3.670 6.202 777 2HH2 ARG 94 2HH2 ARG 94 -19.925 3.692 7.518 778 HA PRO 95 HA PRO 95 -10.416 6.858 4.259 779 1HB PRO 95 HB2 PRO 95 -12.425 6.466 2.086 780 2HB PRO 95 HB3 PRO 95 -10.710 6.867 1.971 781 1HG PRO 95 HG2 PRO 95 -11.683 4.364 1.559 782 2HG PRO 95 HG3 PRO 95 -10.053 4.683 2.172 783 1HD PRO 95 HD2 PRO 95 -12.337 3.515 3.549 784 2HD PRO 95 HD3 PRO 95 -10.640 3.581 4.045 785 H PHE 96 H PHE 96 -13.923 6.643 3.565 786 HA PHE 96 HA PHE 96 -14.284 9.455 3.921 787 1HB PHE 96 HB2 PHE 96 -16.734 8.735 3.655 788 2HB PHE 96 HB3 PHE 96 -15.658 8.499 2.289 789 HD1 PHE 96 HD1 PHE 96 -17.197 6.766 5.181 790 HD2 PHE 96 HD2 PHE 96 -15.393 6.381 1.347 791 HE1 PHE 96 HE1 PHE 96 -17.798 4.383 5.144 792 HE2 PHE 96 HE2 PHE 96 -15.993 3.995 1.300 793 HZ PHE 96 HZ PHE 96 -17.198 2.993 3.201 794 H GLU 97 H GLU 97 -13.426 7.746 6.289 795 HA GLU 97 HA GLU 97 -15.286 8.940 8.174 796 1HB GLU 97 HB2 GLU 97 -14.849 5.976 7.932 797 2HB GLU 97 HB3 GLU 97 -15.362 6.709 9.445 798 1HG GLU 97 HG2 GLU 97 -16.830 6.998 6.839 799 2HG GLU 97 HG3 GLU 97 -17.207 5.789 8.066 800 H GLY 98 H GLY 98 -12.202 8.365 7.264 801 1HA GLY 98 HA3 GLY 98 -11.164 9.214 9.816 802 2HA GLY 98 HA2 GLY 98 -10.232 8.947 8.349 803 H ILE 99 H ILE 99 -8.892 8.134 10.337 804 HA ILE 99 HA ILE 99 -9.208 5.216 10.348 805 HB ILE 99 HB ILE 99 -6.711 6.688 11.127 806 1HG1 ILE 99 2HG1 ILE 99 -7.406 5.732 8.343 807 2HG1 ILE 99 3HG1 ILE 99 -7.528 7.413 8.853 808 1HG2 ILE 99 3HG2 ILE 99 -7.471 3.892 10.442 809 2HG2 ILE 99 2HG2 ILE 99 -5.845 4.446 10.036 810 3HG2 ILE 99 1HG2 ILE 99 -6.403 4.495 11.708 811 1HD1 ILE 99 1HD1 ILE 99 -5.128 7.435 9.314 812 2HD1 ILE 99 3HD1 ILE 99 -5.014 5.757 8.785 813 3HD1 ILE 99 2HD1 ILE 99 -5.470 7.014 7.635 814 H LYS 100 H LYS 100 -8.612 4.033 12.267 815 HA LYS 100 HA LYS 100 -8.885 5.530 14.777 816 1HB LYS 100 HB2 LYS 100 -10.321 2.937 14.242 817 2HB LYS 100 HB3 LYS 100 -10.516 4.003 15.615 818 1HG LYS 100 HG2 LYS 100 -11.509 5.701 14.188 819 2HG LYS 100 HG3 LYS 100 -11.270 4.667 12.778 820 1HD LYS 100 HD2 LYS 100 -12.632 3.105 14.676 821 2HD LYS 100 HD3 LYS 100 -13.425 4.682 14.673 822 1HE LYS 100 HE2 LYS 100 -13.673 4.552 12.243 823 2HE LYS 100 HE3 LYS 100 -12.880 2.977 12.246 824 1HZ LYS 100 HZ1 LYS 100 -15.442 3.620 13.603 825 2HZ LYS 100 HZ3 LYS 100 -15.281 2.760 12.155 826 3HZ LYS 100 HZ2 LYS 100 -14.683 2.109 13.597 827 HA PRO 101 HA PRO 101 -5.727 2.851 16.312 828 1HB PRO 101 HB2 PRO 101 -6.989 2.482 18.895 829 2HB PRO 101 HB3 PRO 101 -5.616 3.502 18.476 830 1HG PRO 101 HG2 PRO 101 -8.058 4.472 19.214 831 2HG PRO 101 HG3 PRO 101 -6.924 5.344 18.174 832 1HD PRO 101 HD2 PRO 101 -9.358 3.776 17.426 833 2HD PRO 101 HD3 PRO 101 -8.751 5.306 16.758 834 H GLU 102 H GLU 102 -8.984 1.748 17.195 835 HA GLU 102 HA GLU 102 -8.299 -0.928 17.710 836 1HB GLU 102 HB2 GLU 102 -10.738 -1.367 17.397 837 2HB GLU 102 HB3 GLU 102 -10.367 -0.084 18.544 838 1HG GLU 102 HG2 GLU 102 -10.818 1.578 16.830 839 2HG GLU 102 HG3 GLU 102 -11.196 0.295 15.685 840 H ASN 103 H ASN 103 -8.898 0.806 14.775 841 HA ASN 103 HA ASN 103 -9.651 -1.146 12.997 842 1HB ASN 103 HB2 ASN 103 -7.851 1.242 12.694 843 2HB ASN 103 HB3 ASN 103 -8.186 0.185 11.327 844 1HD2 ASN 103 1HD2 ASN 103 -10.576 0.683 13.782 845 2HD2 ASN 103 2HD2 ASN 103 -11.634 1.671 12.841 846 H GLU 104 H GLU 104 -8.584 -2.609 11.643 847 HA GLU 104 HA GLU 104 -6.604 -4.180 12.757 848 1HB GLU 104 HB2 GLU 104 -8.232 -4.393 10.603 849 2HB GLU 104 HB3 GLU 104 -6.689 -4.125 9.805 850 1HG GLU 104 HG2 GLU 104 -5.775 -6.076 10.621 851 2HG GLU 104 HG3 GLU 104 -6.929 -6.185 11.951 852 H ARG 105 H ARG 105 -4.417 -4.619 11.943 853 HA ARG 105 HA ARG 105 -3.064 -2.224 10.899 854 1HB ARG 105 HB2 ARG 105 -2.823 -2.272 13.351 855 2HB ARG 105 HB3 ARG 105 -2.141 -3.884 13.251 856 1HG ARG 105 HG2 ARG 105 -0.213 -2.687 13.413 857 2HG ARG 105 HG3 ARG 105 -0.422 -2.667 11.655 858 1HD ARG 105 HD2 ARG 105 0.091 -0.441 12.451 859 2HD ARG 105 HD3 ARG 105 -1.557 -0.500 11.822 860 HE ARG 105 HE ARG 105 -1.706 -0.999 14.545 861 1HH1 ARG 105 1HH1 ARG 105 -0.723 1.603 12.444 862 2HH1 ARG 105 2HH1 ARG 105 -1.141 2.847 13.573 863 1HH2 ARG 105 1HH2 ARG 105 -2.261 0.635 16.038 864 2HH2 ARG 105 2HH2 ARG 105 -2.015 2.297 15.617 865 H TYR 106 H TYR 106 -0.933 -2.635 10.042 866 HA TYR 106 HA TYR 106 0.159 -5.208 9.689 867 1HB TYR 106 HB2 TYR 106 -1.811 -5.353 8.115 868 2HB TYR 106 HB3 TYR 106 -1.066 -4.066 7.168 869 HD1 TYR 106 HD1 TYR 106 -0.935 -7.570 8.146 870 HD2 TYR 106 HD2 TYR 106 0.970 -4.523 5.875 871 HE1 TYR 106 HE1 TYR 106 0.350 -9.277 6.948 872 HE2 TYR 106 HE2 TYR 106 2.265 -6.226 4.666 873 HH TYR 106 HH TYR 106 3.029 -8.540 4.997 874 H THR 107 H THR 107 1.554 -3.470 10.678 875 HA THR 107 HA THR 107 2.762 -1.626 8.796 876 HB THR 107 HB THR 107 3.618 -2.130 11.643 877 HG1 THR 107 HG1 THR 107 2.021 -0.834 12.302 878 1HG2 THR 107 2HG2 THR 107 3.871 0.268 9.828 879 2HG2 THR 107 1HG2 THR 107 4.412 0.185 11.504 880 3HG2 THR 107 3HG2 THR 107 5.171 -0.832 10.281 881 H LEU 108 H LEU 108 3.892 -2.841 7.324 882 HA LEU 108 HA LEU 108 5.661 -4.949 8.098 883 1HB LEU 108 HB2 LEU 108 4.626 -5.030 5.935 884 2HB LEU 108 HB3 LEU 108 5.276 -3.466 5.505 885 HG LEU 108 HG LEU 108 7.531 -4.378 5.427 886 1HD1 LEU 108 2HD1 LEU 108 6.246 -7.002 6.174 887 2HD1 LEU 108 1HD1 LEU 108 7.930 -6.774 5.703 888 3HD1 LEU 108 3HD1 LEU 108 7.325 -6.045 7.191 889 1HD2 LEU 108 1HD2 LEU 108 6.120 -4.489 3.422 890 2HD2 LEU 108 3HD2 LEU 108 7.288 -5.806 3.493 891 3HD2 LEU 108 2HD2 LEU 108 5.598 -6.106 3.894 892 H HIS 109 H HIS 109 7.157 -4.151 9.535 893 HA HIS 109 HA HIS 109 8.707 -1.802 8.964 894 1HB HIS 109 HB2 HIS 109 8.641 -3.823 11.138 895 2HB HIS 109 HB3 HIS 109 10.078 -2.826 10.955 896 HD1 HIS 109 HD1 HIS 109 9.950 -0.445 11.780 897 HD2 HIS 109 HD2 HIS 109 6.266 -2.366 11.787 898 HE1 HIS 109 HE1 HIS 109 8.392 1.097 13.011 899 HE2 HIS 109 HE2 HIS 109 6.187 -0.123 13.073 900 H LEU 110 H LEU 110 10.736 -1.647 8.222 901 HA LEU 110 HA LEU 110 12.239 -4.048 7.548 902 1HB LEU 110 HB2 LEU 110 11.508 -1.922 5.535 903 2HB LEU 110 HB3 LEU 110 12.631 -3.237 5.246 904 HG LEU 110 HG LEU 110 9.694 -3.596 5.870 905 1HD1 LEU 110 1HD1 LEU 110 11.154 -3.704 3.234 906 2HD1 LEU 110 3HD1 LEU 110 9.474 -4.174 3.492 907 3HD1 LEU 110 2HD1 LEU 110 9.965 -2.497 3.728 908 1HD2 LEU 110 3HD2 LEU 110 11.194 -5.471 6.508 909 2HD2 LEU 110 2HD2 LEU 110 10.019 -5.888 5.262 910 3HD2 LEU 110 1HD2 LEU 110 11.699 -5.583 4.821 911 H ASN 111 H ASN 111 14.004 -3.593 8.775 912 HA ASN 111 HA ASN 111 15.115 -0.933 8.889 913 1HB ASN 111 HB2 ASN 111 15.142 -2.715 10.766 914 2HB ASN 111 HB3 ASN 111 16.476 -3.436 9.874 915 1HD2 ASN 111 1HD2 ASN 111 17.464 -0.826 8.967 916 2HD2 ASN 111 2HD2 ASN 111 18.236 -0.118 10.337 917 H VAL 112 H VAL 112 15.182 -1.038 6.459 918 HA VAL 112 HA VAL 112 16.752 -2.586 4.873 919 HB VAL 112 HB VAL 112 16.889 0.370 4.441 920 1HG1 VAL 112 2HG1 VAL 112 17.861 -1.180 2.813 921 2HG1 VAL 112 1HG1 VAL 112 16.288 -1.956 2.626 922 3HG1 VAL 112 3HG1 VAL 112 16.508 -0.278 2.128 923 1HG2 VAL 112 3HG2 VAL 112 14.384 -1.294 4.332 924 2HG2 VAL 112 2HG2 VAL 112 14.659 0.204 5.222 925 3HG2 VAL 112 1HG2 VAL 112 14.570 0.229 3.462 926 H LYS 113 H LYS 113 18.790 -3.223 5.127 927 HA LYS 113 HA LYS 113 20.725 -1.484 6.440 928 1HB LYS 113 HB2 LYS 113 20.782 -4.381 5.607 929 2HB LYS 113 HB3 LYS 113 22.193 -3.547 6.243 930 1HG LYS 113 HG2 LYS 113 19.627 -3.550 7.771 931 2HG LYS 113 HG3 LYS 113 20.714 -4.938 7.836 932 1HD LYS 113 HD2 LYS 113 22.518 -3.531 8.633 933 2HD LYS 113 HD3 LYS 113 21.506 -2.095 8.468 934 1HE LYS 113 HE2 LYS 113 20.888 -4.419 10.284 935 2HE LYS 113 HE3 LYS 113 21.692 -2.938 10.800 936 1HZ LYS 113 HZ2 LYS 113 18.977 -3.064 9.603 937 2HZ LYS 113 HZ1 LYS 113 19.301 -2.918 11.258 938 3HZ LYS 113 HZ3 LYS 113 19.748 -1.679 10.195 No H/Q in entry = 938 Start of MODEL 4 1 H1 GLY -2 HT2 GLY -2 -8.676 -21.902 2.209 2 H2 GLY -2 HT1 GLY -2 -9.056 -20.280 2.502 3 H3 GLY -2 HT3 GLY -2 -7.926 -20.682 1.309 4 1HA GLY -2 HA2 GLY -2 -6.806 -19.858 3.276 5 2HA GLY -2 HA3 GLY -2 -6.410 -21.543 2.970 6 H SER -1 H SER -1 -6.419 -19.897 5.463 7 HA SER -1 HA SER -1 -7.838 -21.843 7.109 8 1HB SER -1 HB2 SER -1 -6.538 -20.879 8.978 9 2HB SER -1 HB3 SER -1 -5.494 -21.396 7.654 10 HG SER -1 HG SER -1 -6.409 -18.746 7.730 11 H HIS 0 H HIS 0 -8.040 -18.545 6.112 12 HA HIS 0 HA HIS 0 -10.344 -18.170 7.905 13 1HB HIS 0 HB2 HIS 0 -8.330 -16.070 7.076 14 2HB HIS 0 HB3 HIS 0 -9.782 -15.767 8.025 15 HD1 HIS 0 HD1 HIS 0 -6.280 -16.811 8.320 16 HD2 HIS 0 HD2 HIS 0 -9.709 -16.949 10.662 17 HE1 HIS 0 HE1 HIS 0 -5.479 -17.290 10.655 18 HE2 HIS 0 HE2 HIS 0 -7.579 -17.452 12.040 19 H MET 1 H MET 1 -11.936 -16.591 7.099 20 HA MET 1 HA MET 1 -12.487 -17.075 4.317 21 1HB MET 1 HB2 MET 1 -13.982 -15.421 6.360 22 2HB MET 1 HB3 MET 1 -14.575 -15.828 4.756 23 1HG MET 1 HG2 MET 1 -14.529 -18.201 5.346 24 2HG MET 1 HG3 MET 1 -13.951 -17.784 6.958 25 1HE MET 1 HE1 MET 1 -15.386 -16.441 8.744 26 2HE MET 1 HE3 MET 1 -15.619 -15.139 7.576 27 3HE MET 1 HE2 MET 1 -17.006 -15.819 8.426 28 H ILE 2 H ILE 2 -13.621 -14.925 3.276 29 HA ILE 2 HA ILE 2 -11.389 -13.233 2.668 30 HB ILE 2 HB ILE 2 -12.949 -12.065 1.151 31 1HG1 ILE 2 2HG1 ILE 2 -14.999 -14.049 2.166 32 2HG1 ILE 2 3HG1 ILE 2 -14.975 -12.337 2.576 33 1HG2 ILE 2 1HG2 ILE 2 -11.743 -14.037 0.385 34 2HG2 ILE 2 3HG2 ILE 2 -13.044 -15.074 0.970 35 3HG2 ILE 2 2HG2 ILE 2 -13.340 -13.953 -0.358 36 1HD1 ILE 2 3HD1 ILE 2 -15.309 -11.771 0.226 37 2HD1 ILE 2 2HD1 ILE 2 -15.341 -13.487 -0.179 38 3HD1 ILE 2 1HD1 ILE 2 -16.603 -12.799 0.844 39 H ALA 3 H ALA 3 -13.569 -13.215 5.162 40 HA ALA 3 HA ALA 3 -13.239 -10.312 5.541 41 1HB ALA 3 HB2 ALA 3 -15.617 -11.968 6.379 42 2HB ALA 3 HB3 ALA 3 -15.571 -10.845 5.021 43 3HB ALA 3 HB1 ALA 3 -15.397 -10.242 6.668 44 HA PRO 4 HA PRO 4 -11.166 -11.247 9.332 45 1HB PRO 4 HB2 PRO 4 -12.538 -8.889 10.482 46 2HB PRO 4 HB3 PRO 4 -10.811 -9.218 10.321 47 1HG PRO 4 HG2 PRO 4 -12.021 -7.417 8.763 48 2HG PRO 4 HG3 PRO 4 -10.736 -8.464 8.133 49 1HD PRO 4 HD2 PRO 4 -13.701 -8.678 7.782 50 2HD PRO 4 HD3 PRO 4 -12.404 -8.960 6.602 51 H LEU 5 H LEU 5 -11.564 -11.706 11.618 52 HA LEU 5 HA LEU 5 -14.213 -11.821 12.661 53 1HB LEU 5 HB2 LEU 5 -14.364 -13.677 11.069 54 2HB LEU 5 HB3 LEU 5 -12.948 -14.420 11.785 55 HG LEU 5 HG LEU 5 -14.189 -14.725 13.898 56 1HD1 LEU 5 2HD1 LEU 5 -16.518 -13.622 12.332 57 2HD1 LEU 5 1HD1 LEU 5 -16.617 -14.373 13.925 58 3HD1 LEU 5 3HD1 LEU 5 -15.733 -12.861 13.716 59 1HD2 LEU 5 1HD2 LEU 5 -15.565 -15.850 11.462 60 2HD2 LEU 5 3HD2 LEU 5 -14.140 -16.522 12.255 61 3HD2 LEU 5 2HD2 LEU 5 -15.686 -16.489 13.103 62 H SER 6 H SER 6 -10.953 -13.191 12.782 63 HA SER 6 HA SER 6 -10.991 -12.831 15.706 64 1HB SER 6 HB2 SER 6 -9.634 -15.053 14.154 65 2HB SER 6 HB3 SER 6 -9.509 -14.802 15.896 66 HG SER 6 HG SER 6 -12.064 -14.986 14.795 67 H VAL 7 H VAL 7 -8.206 -13.638 15.931 68 HA VAL 7 HA VAL 7 -6.932 -11.182 15.717 69 HB VAL 7 HB VAL 7 -4.821 -12.373 16.046 70 1HG1 VAL 7 3HG1 VAL 7 -6.264 -12.002 17.972 71 2HG1 VAL 7 2HG1 VAL 7 -7.088 -13.531 17.665 72 3HG1 VAL 7 1HG1 VAL 7 -5.387 -13.523 18.133 73 1HG2 VAL 7 1HG2 VAL 7 -6.444 -14.869 15.561 74 2HG2 VAL 7 3HG2 VAL 7 -5.169 -14.232 14.523 75 3HG2 VAL 7 2HG2 VAL 7 -4.778 -14.829 16.136 76 H LYS 8 H LYS 8 -4.819 -10.875 14.410 77 HA LYS 8 HA LYS 8 -4.693 -12.052 11.817 78 1HB LYS 8 HB2 LYS 8 -6.629 -10.506 11.550 79 2HB LYS 8 HB3 LYS 8 -5.569 -9.163 11.954 80 1HG LYS 8 HG2 LYS 8 -5.781 -9.222 9.595 81 2HG LYS 8 HG3 LYS 8 -4.160 -9.795 9.989 82 1HD LYS 8 HD2 LYS 8 -4.925 -12.112 9.741 83 2HD LYS 8 HD3 LYS 8 -6.540 -11.530 9.330 84 1HE LYS 8 HE2 LYS 8 -5.624 -10.382 7.371 85 2HE LYS 8 HE3 LYS 8 -4.012 -10.970 7.781 86 1HZ LYS 8 HZ2 LYS 8 -6.349 -12.670 7.094 87 2HZ LYS 8 HZ1 LYS 8 -5.042 -12.332 6.076 88 3HZ LYS 8 HZ3 LYS 8 -4.804 -13.234 7.487 89 H ASP 9 H ASP 9 -2.687 -11.907 11.088 90 HA ASP 9 HA ASP 9 -0.689 -10.590 12.629 91 1HB ASP 9 HB2 ASP 9 -0.261 -12.706 11.418 92 2HB ASP 9 HB3 ASP 9 -0.457 -11.854 9.888 93 H ASN 10 H ASN 10 -0.020 -8.545 12.478 94 HA ASN 10 HA ASN 10 -0.524 -7.108 9.974 95 1HB ASN 10 HB2 ASN 10 -0.653 -5.071 11.619 96 2HB ASN 10 HB3 ASN 10 -2.060 -6.079 11.330 97 1HD2 ASN 10 1HD2 ASN 10 -1.420 -4.370 13.570 98 2HD2 ASN 10 2HD2 ASN 10 -1.427 -5.385 14.962 99 H ASP 11 H ASP 11 0.957 -5.680 12.740 100 HA ASP 11 HA ASP 11 3.081 -4.547 11.466 101 1HB ASP 11 HB2 ASP 11 2.983 -5.489 14.335 102 2HB ASP 11 HB3 ASP 11 4.110 -4.307 13.680 103 H LYS 12 H LYS 12 4.344 -5.669 10.147 104 HA LYS 12 HA LYS 12 5.568 -8.160 11.053 105 1HB LYS 12 HB2 LYS 12 4.670 -8.376 8.881 106 2HB LYS 12 HB3 LYS 12 5.303 -6.818 8.372 107 1HG LYS 12 HG2 LYS 12 7.527 -7.665 8.310 108 2HG LYS 12 HG3 LYS 12 7.022 -9.195 9.031 109 1HD LYS 12 HD2 LYS 12 5.739 -9.757 7.081 110 2HD LYS 12 HD3 LYS 12 6.020 -8.162 6.381 111 1HE LYS 12 HE2 LYS 12 8.396 -8.635 6.207 112 2HE LYS 12 HE3 LYS 12 8.155 -10.208 6.966 113 1HZ LYS 12 HZ1 LYS 12 6.773 -10.856 5.091 114 2HZ LYS 12 HZ3 LYS 12 7.009 -9.348 4.363 115 3HZ LYS 12 HZ2 LYS 12 8.315 -10.404 4.567 116 H TRP 13 H TRP 13 7.106 -7.477 12.488 117 HA TRP 13 HA TRP 13 8.963 -5.380 11.858 118 1HB TRP 13 HB2 TRP 13 9.206 -7.282 14.168 119 2HB TRP 13 HB3 TRP 13 9.687 -5.594 14.065 120 HD1 TRP 13 HD1 TRP 13 6.465 -7.717 14.257 121 HE1 TRP 13 HE1 TRP 13 4.606 -6.294 15.320 122 HE3 TRP 13 HE3 TRP 13 8.994 -3.295 14.737 123 HZ2 TRP 13 HZ2 TRP 13 4.236 -3.645 16.228 124 HZ3 TRP 13 HZ3 TRP 13 7.819 -1.371 15.725 125 HH2 TRP 13 HH2 TRP 13 5.498 -1.546 16.461 126 H VAL 14 H VAL 14 10.334 -5.883 10.200 127 HA VAL 14 HA VAL 14 12.242 -8.035 10.737 128 HB VAL 14 HB VAL 14 12.050 -9.031 8.511 129 1HG1 VAL 14 3HG1 VAL 14 10.827 -10.038 10.376 130 2HG1 VAL 14 2HG1 VAL 14 9.425 -9.040 9.995 131 3HG1 VAL 14 1HG1 VAL 14 9.975 -10.259 8.848 132 1HG2 VAL 14 3HG2 VAL 14 11.133 -7.046 7.368 133 2HG2 VAL 14 2HG2 VAL 14 10.216 -8.514 7.030 134 3HG2 VAL 14 1HG2 VAL 14 9.588 -7.325 8.171 135 H ASP 15 H ASP 15 13.647 -8.163 8.495 136 HA ASP 15 HA ASP 15 14.753 -5.461 8.215 137 1HB ASP 15 HB2 ASP 15 16.020 -7.750 8.844 138 2HB ASP 15 HB3 ASP 15 16.154 -7.827 7.089 139 H THR 16 H THR 16 16.164 -5.865 5.810 140 HA THR 16 HA THR 16 14.679 -6.856 3.671 141 HB THR 16 HB THR 16 13.124 -4.973 4.531 142 HG1 THR 16 HG1 THR 16 13.775 -4.706 1.797 143 1HG2 THR 16 3HG2 THR 16 14.849 -3.247 4.740 144 2HG2 THR 16 2HG2 THR 16 15.132 -3.324 3.002 145 3HG2 THR 16 1HG2 THR 16 13.579 -2.761 3.618 146 H HIS 17 H HIS 17 15.168 -5.343 1.588 147 HA HIS 17 HA HIS 17 18.037 -4.675 1.690 148 1HB HIS 17 HB2 HIS 17 16.447 -6.058 -0.472 149 2HB HIS 17 HB3 HIS 17 18.059 -5.408 -0.741 150 HD1 HIS 17 HD1 HIS 17 16.291 -8.352 0.513 151 HD2 HIS 17 HD2 HIS 17 20.103 -6.731 0.846 152 HE1 HIS 17 HE1 HIS 17 17.742 -10.217 1.372 153 HE2 HIS 17 HE2 HIS 17 20.061 -9.238 1.480 154 H VAL 18 H VAL 18 18.228 -3.630 -0.916 155 HA VAL 18 HA VAL 18 16.756 -1.131 -0.534 156 HB VAL 18 HB VAL 18 18.983 -1.665 -2.499 157 1HG1 VAL 18 3HG1 VAL 18 17.753 0.891 -1.462 158 2HG1 VAL 18 2HG1 VAL 18 19.172 0.798 -2.507 159 3HG1 VAL 18 1HG1 VAL 18 17.606 0.238 -3.094 160 1HG2 VAL 18 2HG2 VAL 18 19.109 -0.508 0.282 161 2HG2 VAL 18 1HG2 VAL 18 19.814 -2.031 -0.257 162 3HG2 VAL 18 3HG2 VAL 18 20.436 -0.503 -0.879 163 H GLY 19 H GLY 19 14.923 -0.864 -1.558 164 1HA GLY 19 HA3 GLY 19 14.656 -1.136 -4.369 165 2HA GLY 19 HA2 GLY 19 13.369 -0.782 -3.234 166 H LYS 20 H LYS 20 14.471 -3.489 -1.938 167 HA LYS 20 HA LYS 20 13.751 -5.531 -3.714 168 1HB LYS 20 HB2 LYS 20 14.847 -5.568 -1.296 169 2HB LYS 20 HB3 LYS 20 13.190 -5.851 -0.799 170 1HG LYS 20 HG2 LYS 20 13.785 -7.998 -1.075 171 2HG LYS 20 HG3 LYS 20 13.365 -7.659 -2.758 172 1HD LYS 20 HD2 LYS 20 15.668 -7.202 -3.287 173 2HD LYS 20 HD3 LYS 20 16.113 -7.355 -1.590 174 1HE LYS 20 HE2 LYS 20 15.016 -9.557 -3.333 175 2HE LYS 20 HE3 LYS 20 16.702 -9.367 -2.857 176 1HZ LYS 20 HZ3 LYS 20 14.428 -9.837 -1.006 177 2HZ LYS 20 HZ2 LYS 20 15.573 -10.990 -1.475 178 3HZ LYS 20 HZ1 LYS 20 16.048 -9.655 -0.550 179 H THR 21 H THR 21 11.899 -4.902 -4.808 180 HA THR 21 HA THR 21 9.560 -3.875 -3.874 181 HB THR 21 HB THR 21 9.582 -6.059 -5.949 182 HG1 THR 21 HG1 THR 21 11.255 -4.346 -6.222 183 1HG2 THR 21 3HG2 THR 21 7.398 -5.145 -5.219 184 2HG2 THR 21 2HG2 THR 21 7.943 -3.535 -5.688 185 3HG2 THR 21 1HG2 THR 21 7.753 -4.792 -6.910 186 H THR 22 H THR 22 8.637 -4.510 -2.033 187 HA THR 22 HA THR 22 8.234 -7.344 -1.492 188 HB THR 22 HB THR 22 7.553 -4.925 0.200 189 HG1 THR 22 HG1 THR 22 9.547 -6.731 0.931 190 1HG2 THR 22 2HG2 THR 22 6.135 -6.857 0.722 191 2HG2 THR 22 1HG2 THR 22 7.572 -7.861 0.914 192 3HG2 THR 22 3HG2 THR 22 7.274 -6.527 2.030 193 H GLU 23 H GLU 23 6.691 -8.000 -2.894 194 HA GLU 23 HA GLU 23 4.228 -6.586 -3.249 195 1HB GLU 23 HB2 GLU 23 5.288 -7.909 -5.043 196 2HB GLU 23 HB3 GLU 23 5.056 -9.366 -4.089 197 1HG GLU 23 HG2 GLU 23 2.672 -9.160 -4.244 198 2HG GLU 23 HG3 GLU 23 2.831 -7.590 -5.030 199 H ILE 24 H ILE 24 2.431 -6.811 -2.116 200 HA ILE 24 HA ILE 24 2.073 -9.221 -0.486 201 HB ILE 24 HB ILE 24 1.518 -6.439 0.509 202 1HG1 ILE 24 2HG1 ILE 24 3.791 -8.310 1.199 203 2HG1 ILE 24 3HG1 ILE 24 3.934 -6.808 0.295 204 1HG2 ILE 24 1HG2 ILE 24 0.065 -8.173 1.430 205 2HG2 ILE 24 3HG2 ILE 24 1.482 -9.103 1.919 206 3HG2 ILE 24 2HG2 ILE 24 1.157 -7.537 2.660 207 1HD1 ILE 24 1HD1 ILE 24 3.212 -5.558 2.266 208 2HD1 ILE 24 3HD1 ILE 24 3.102 -7.066 3.173 209 3HD1 ILE 24 2HD1 ILE 24 4.665 -6.508 2.577 210 H HIS 25 H HIS 25 0.384 -10.103 -1.502 211 HA HIS 25 HA HIS 25 -1.828 -8.520 -2.454 212 1HB HIS 25 HB2 HIS 25 -1.850 -11.513 -2.209 213 2HB HIS 25 HB3 HIS 25 -2.663 -10.500 -3.390 214 HD1 HIS 25 HD1 HIS 25 -0.049 -12.807 -3.281 215 HD2 HIS 25 HD2 HIS 25 -0.449 -9.037 -4.980 216 HE1 HIS 25 HE1 HIS 25 1.704 -12.691 -5.079 217 HE2 HIS 25 HE2 HIS 25 1.358 -10.449 -6.175 218 H LEU 26 H LEU 26 -2.874 -7.600 -0.760 219 HA LEU 26 HA LEU 26 -3.576 -9.210 1.566 220 1HB LEU 26 HB2 LEU 26 -4.234 -6.326 1.036 221 2HB LEU 26 HB3 LEU 26 -4.295 -7.153 2.576 222 HG LEU 26 HG LEU 26 -1.684 -6.910 1.125 223 1HD1 LEU 26 3HD1 LEU 26 -2.929 -4.791 2.872 224 2HD1 LEU 26 2HD1 LEU 26 -1.261 -4.802 2.299 225 3HD1 LEU 26 1HD1 LEU 26 -2.589 -4.653 1.147 226 1HD2 LEU 26 1HD2 LEU 26 -1.867 -8.354 3.109 227 2HD2 LEU 26 3HD2 LEU 26 -0.781 -6.990 3.372 228 3HD2 LEU 26 2HD2 LEU 26 -2.408 -6.965 4.054 229 H LYS 27 H LYS 27 -5.650 -9.770 2.101 230 HA LYS 27 HA LYS 27 -7.613 -9.473 -0.049 231 1HB LYS 27 HB2 LYS 27 -7.667 -11.321 2.336 232 2HB LYS 27 HB3 LYS 27 -8.808 -11.321 1.002 233 1HG LYS 27 HG2 LYS 27 -7.209 -12.120 -0.517 234 2HG LYS 27 HG3 LYS 27 -5.871 -11.773 0.579 235 1HD LYS 27 HD2 LYS 27 -6.703 -13.500 2.116 236 2HD LYS 27 HD3 LYS 27 -8.022 -13.851 0.998 237 1HE LYS 27 HE2 LYS 27 -5.078 -14.152 0.416 238 2HE LYS 27 HE3 LYS 27 -6.205 -15.465 0.760 239 1HZ LYS 27 HZ2 LYS 27 -6.361 -13.621 -1.563 240 2HZ LYS 27 HZ1 LYS 27 -5.827 -15.225 -1.611 241 3HZ LYS 27 HZ3 LYS 27 -7.441 -14.880 -1.232 242 H GLY 28 H GLY 28 -9.913 -9.257 0.661 243 1HA GLY 28 HA3 GLY 28 -10.164 -6.865 2.185 244 2HA GLY 28 HA2 GLY 28 -10.740 -8.249 3.095 245 H ASN 29 H ASN 29 -11.923 -5.785 1.572 246 HA ASN 29 HA ASN 29 -13.624 -6.790 -0.437 247 1HB ASN 29 HB2 ASN 29 -14.590 -8.026 1.497 248 2HB ASN 29 HB3 ASN 29 -14.946 -6.483 2.267 249 1HD2 ASN 29 1HD2 ASN 29 -17.143 -6.832 2.298 250 2HD2 ASN 29 2HD2 ASN 29 -18.112 -6.798 0.868 251 HA PRO 30 HA PRO 30 -13.193 -2.218 -0.431 252 1HB PRO 30 HB2 PRO 30 -14.122 -2.062 -3.047 253 2HB PRO 30 HB3 PRO 30 -12.428 -2.183 -2.566 254 1HG PRO 30 HG2 PRO 30 -14.297 -4.321 -3.488 255 2HG PRO 30 HG3 PRO 30 -12.575 -4.103 -3.848 256 1HD PRO 30 HD2 PRO 30 -13.398 -5.925 -2.076 257 2HD PRO 30 HD3 PRO 30 -11.909 -4.994 -1.808 258 H THR 31 H THR 31 -15.888 -4.304 -0.849 259 HA THR 31 HA THR 31 -17.758 -2.048 -0.925 260 HB THR 31 HB THR 31 -19.496 -3.761 -1.357 261 HG1 THR 31 HG1 THR 31 -18.710 -5.626 -0.515 262 1HG2 THR 31 2HG2 THR 31 -18.372 -2.634 -3.223 263 2HG2 THR 31 1HG2 THR 31 -17.135 -3.890 -3.234 264 3HG2 THR 31 3HG2 THR 31 -18.803 -4.293 -3.639 265 H THR 32 H THR 32 -16.178 -3.051 1.476 266 HA THR 32 HA THR 32 -18.399 -3.850 3.219 267 HB THR 32 HB THR 32 -16.208 -5.130 3.267 268 HG1 THR 32 HG1 THR 32 -17.068 -5.637 5.127 269 1HG2 THR 32 1HG2 THR 32 -14.727 -3.141 3.161 270 2HG2 THR 32 3HG2 THR 32 -15.259 -2.694 4.782 271 3HG2 THR 32 2HG2 THR 32 -14.366 -4.194 4.528 272 H GLY 33 H GLY 33 -16.113 -1.265 2.636 273 1HA GLY 33 HA3 GLY 33 -17.212 0.213 4.937 274 2HA GLY 33 HA2 GLY 33 -17.227 0.935 3.335 275 H TYR 34 H TYR 34 -14.656 -1.023 4.783 276 HA TYR 34 HA TYR 34 -13.010 1.361 5.128 277 1HB TYR 34 HB2 TYR 34 -12.595 -1.517 5.942 278 2HB TYR 34 HB3 TYR 34 -11.386 -0.260 6.176 279 HD1 TYR 34 HD1 TYR 34 -14.909 -1.123 7.017 280 HD2 TYR 34 HD2 TYR 34 -11.404 1.028 8.135 281 HE1 TYR 34 HE1 TYR 34 -15.956 -0.538 9.162 282 HE2 TYR 34 HE2 TYR 34 -12.448 1.615 10.281 283 HH TYR 34 HH TYR 34 -15.270 0.124 11.428 284 H MET 35 H MET 35 -10.519 0.622 4.714 285 HA MET 35 HA MET 35 -10.198 -0.597 2.109 286 1HB MET 35 HB2 MET 35 -10.414 1.533 1.246 287 2HB MET 35 HB3 MET 35 -9.860 2.297 2.730 288 1HG MET 35 HG2 MET 35 -7.575 1.612 2.234 289 2HG MET 35 HG3 MET 35 -8.130 0.853 0.760 290 1HE MET 35 HE1 MET 35 -10.324 2.885 -0.261 291 2HE MET 35 HE3 MET 35 -9.394 3.955 -1.309 292 3HE MET 35 HE2 MET 35 -9.112 2.215 -1.354 293 H TRP 36 H TRP 36 -8.072 -1.256 1.735 294 HA TRP 36 HA TRP 36 -6.385 -1.246 4.135 295 1HB TRP 36 HB2 TRP 36 -6.960 -3.227 2.074 296 2HB TRP 36 HB3 TRP 36 -5.242 -3.022 2.371 297 HD1 TRP 36 HD1 TRP 36 -7.927 -5.133 3.472 298 HE1 TRP 36 HE1 TRP 36 -7.517 -6.083 5.831 299 HE3 TRP 36 HE3 TRP 36 -4.178 -2.004 4.963 300 HZ2 TRP 36 HZ2 TRP 36 -5.826 -5.570 8.028 301 HZ3 TRP 36 HZ3 TRP 36 -3.221 -2.300 7.202 302 HH2 TRP 36 HH2 TRP 36 -4.032 -4.042 8.701 303 H THR 37 H THR 37 -5.532 0.825 3.791 304 HA THR 37 HA THR 37 -3.469 0.888 1.704 305 HB THR 37 HB THR 37 -5.413 2.191 0.886 306 HG1 THR 37 HG1 THR 37 -3.224 3.884 1.579 307 1HG2 THR 37 2HG2 THR 37 -6.278 2.935 3.059 308 2HG2 THR 37 1HG2 THR 37 -4.854 3.951 3.280 309 3HG2 THR 37 3HG2 THR 37 -5.993 4.301 1.980 310 H ARG 38 H ARG 38 -1.833 2.668 2.158 311 HA ARG 38 HA ARG 38 -0.822 2.430 4.771 312 1HB ARG 38 HB2 ARG 38 -0.166 4.145 2.403 313 2HB ARG 38 HB3 ARG 38 0.581 4.491 3.948 314 1HG ARG 38 HG2 ARG 38 1.940 2.741 3.864 315 2HG ARG 38 HG3 ARG 38 0.718 1.701 3.137 316 1HD ARG 38 HD2 ARG 38 1.905 3.903 1.524 317 2HD ARG 38 HD3 ARG 38 2.817 2.445 1.767 318 HE ARG 38 HE ARG 38 0.799 2.748 -0.088 319 1HH1 ARG 38 1HH1 ARG 38 1.698 0.492 2.411 320 2HH1 ARG 38 2HH1 ARG 38 0.845 -0.835 1.697 321 1HH2 ARG 38 1HH2 ARG 38 -0.328 0.993 -1.023 322 2HH2 ARG 38 2HH2 ARG 38 -0.299 -0.550 -0.243 323 H VAL 39 H VAL 39 -1.079 3.576 6.575 324 HA VAL 39 HA VAL 39 -3.244 5.259 7.001 325 HB VAL 39 HB VAL 39 -2.174 4.161 8.853 326 1HG1 VAL 39 1HG1 VAL 39 0.108 4.309 7.800 327 2HG1 VAL 39 3HG1 VAL 39 0.218 5.939 8.470 328 3HG1 VAL 39 2HG1 VAL 39 0.048 4.552 9.548 329 1HG2 VAL 39 3HG2 VAL 39 -3.323 6.256 9.365 330 2HG2 VAL 39 2HG2 VAL 39 -1.946 6.006 10.439 331 3HG2 VAL 39 1HG2 VAL 39 -1.824 7.148 9.101 332 H GLY 40 H GLY 40 -3.448 7.516 7.251 333 1HA GLY 40 HA3 GLY 40 -1.286 9.318 6.799 334 2HA GLY 40 HA2 GLY 40 -2.995 9.737 6.821 335 H PHE 41 H PHE 41 -2.449 7.211 4.735 336 HA PHE 41 HA PHE 41 -2.264 8.997 2.406 337 1HB PHE 41 HB2 PHE 41 -1.269 6.172 2.731 338 2HB PHE 41 HB3 PHE 41 -1.281 7.039 1.208 339 HD1 PHE 41 HD1 PHE 41 1.110 5.838 2.773 340 HD2 PHE 41 HD2 PHE 41 -0.547 9.748 2.506 341 HE1 PHE 41 HE1 PHE 41 3.309 6.801 3.314 342 HE2 PHE 41 HE2 PHE 41 1.652 10.721 3.042 343 HZ PHE 41 HZ PHE 41 3.582 9.245 3.448 344 H VAL 42 H VAL 42 -4.605 8.276 3.860 345 HA VAL 42 HA VAL 42 -6.030 6.470 2.053 346 HB VAL 42 HB VAL 42 -7.118 7.808 4.533 347 1HG1 VAL 42 1HG1 VAL 42 -8.720 6.831 2.896 348 2HG1 VAL 42 3HG1 VAL 42 -7.950 5.265 3.147 349 3HG1 VAL 42 2HG1 VAL 42 -8.768 6.070 4.486 350 1HG2 VAL 42 3HG2 VAL 42 -4.979 6.392 4.811 351 2HG2 VAL 42 2HG2 VAL 42 -6.354 6.075 5.866 352 3HG2 VAL 42 1HG2 VAL 42 -6.037 5.020 4.489 353 H GLY 43 H GLY 43 -6.137 7.786 0.233 354 1HA GLY 43 HA3 GLY 43 -7.977 10.084 0.459 355 2HA GLY 43 HA2 GLY 43 -7.779 9.089 -0.980 356 H LYS 44 H LYS 44 -4.815 9.248 0.077 357 HA LYS 44 HA LYS 44 -3.873 11.859 -0.405 358 1HB LYS 44 HB2 LYS 44 -1.656 10.627 -0.599 359 2HB LYS 44 HB3 LYS 44 -2.541 10.364 0.896 360 1HG LYS 44 HG2 LYS 44 -1.706 8.281 0.233 361 2HG LYS 44 HG3 LYS 44 -3.434 8.259 -0.098 362 1HD LYS 44 HD2 LYS 44 -1.801 9.162 -2.336 363 2HD LYS 44 HD3 LYS 44 -1.472 7.508 -1.830 364 1HE LYS 44 HE2 LYS 44 -4.199 8.611 -2.499 365 2HE LYS 44 HE3 LYS 44 -3.207 7.639 -3.582 366 1HZ LYS 44 HZ1 LYS 44 -4.115 6.706 -0.918 367 2HZ LYS 44 HZ3 LYS 44 -4.954 6.391 -2.354 368 3HZ LYS 44 HZ2 LYS 44 -3.390 5.786 -2.138 369 H ASP 45 H ASP 45 -1.706 11.454 -2.110 370 HA ASP 45 HA ASP 45 -2.995 11.228 -4.730 371 1HB ASP 45 HB2 ASP 45 -0.565 12.726 -3.750 372 2HB ASP 45 HB3 ASP 45 -0.887 12.482 -5.457 373 H VAL 46 H VAL 46 -0.185 10.335 -2.815 374 HA VAL 46 HA VAL 46 0.097 7.842 -4.260 375 HB VAL 46 HB VAL 46 2.088 10.048 -4.446 376 1HG1 VAL 46 1HG1 VAL 46 2.832 7.128 -4.293 377 2HG1 VAL 46 3HG1 VAL 46 3.888 8.396 -4.917 378 3HG1 VAL 46 2HG1 VAL 46 3.380 8.423 -3.228 379 1HG2 VAL 46 3HG2 VAL 46 0.690 9.451 -6.343 380 2HG2 VAL 46 2HG2 VAL 46 2.387 9.105 -6.681 381 3HG2 VAL 46 1HG2 VAL 46 1.283 7.792 -6.267 382 H LEU 47 H LEU 47 0.240 6.360 -2.766 383 HA LEU 47 HA LEU 47 0.673 6.763 -0.051 384 1HB LEU 47 HB2 LEU 47 1.415 4.218 -1.472 385 2HB LEU 47 HB3 LEU 47 0.760 4.403 0.144 386 HG LEU 47 HG LEU 47 -0.766 4.977 -2.403 387 1HD1 LEU 47 1HD1 LEU 47 -0.227 2.607 -2.204 388 2HD1 LEU 47 3HD1 LEU 47 -0.926 2.583 -0.585 389 3HD1 LEU 47 2HD1 LEU 47 -1.952 2.905 -1.984 390 1HD2 LEU 47 2HD2 LEU 47 -1.548 6.247 -0.464 391 2HD2 LEU 47 1HD2 LEU 47 -2.719 5.013 -0.930 392 3HD2 LEU 47 3HD2 LEU 47 -1.674 4.756 0.467 393 H SER 48 H SER 48 2.873 5.275 -2.371 394 HA SER 48 HA SER 48 5.188 5.086 -0.974 395 1HB SER 48 HB2 SER 48 5.312 4.261 -3.141 396 2HB SER 48 HB3 SER 48 4.644 5.726 -3.852 397 HG SER 48 HG SER 48 7.163 5.683 -2.573 398 H ASP 49 H ASP 49 7.218 6.395 -1.233 399 HA ASP 49 HA ASP 49 6.937 9.250 -1.516 400 1HB ASP 49 HB2 ASP 49 7.465 8.024 1.192 401 2HB ASP 49 HB3 ASP 49 7.881 9.692 0.795 402 H GLU 50 H GLU 50 9.220 9.931 -0.015 403 HA GLU 50 HA GLU 50 11.272 9.224 -1.868 404 1HB GLU 50 HB2 GLU 50 12.570 10.846 -0.766 405 2HB GLU 50 HB3 GLU 50 10.916 11.436 -0.634 406 1HG GLU 50 HG2 GLU 50 10.775 10.581 1.638 407 2HG GLU 50 HG3 GLU 50 12.431 9.986 1.520 408 H ILE 51 H ILE 51 10.317 8.194 1.320 409 HA ILE 51 HA ILE 51 12.765 6.793 1.896 410 HB ILE 51 HB ILE 51 10.109 6.422 3.269 411 1HG1 ILE 51 2HG1 ILE 51 10.709 8.835 3.108 412 2HG1 ILE 51 3HG1 ILE 51 10.677 8.228 4.758 413 1HG2 ILE 51 2HG2 ILE 51 12.956 6.069 4.197 414 2HG2 ILE 51 1HG2 ILE 51 11.523 5.878 5.208 415 3HG2 ILE 51 3HG2 ILE 51 11.795 4.787 3.850 416 1HD1 ILE 51 2HD1 ILE 51 13.159 8.629 3.104 417 2HD1 ILE 51 1HD1 ILE 51 12.562 9.734 4.343 418 3HD1 ILE 51 3HD1 ILE 51 13.095 8.114 4.790 419 H LEU 52 H LEU 52 9.466 5.499 1.902 420 HA LEU 52 HA LEU 52 10.498 3.035 0.674 421 1HB LEU 52 HB2 LEU 52 8.174 3.635 2.467 422 2HB LEU 52 HB3 LEU 52 8.162 2.194 1.472 423 HG LEU 52 HG LEU 52 10.431 2.778 3.351 424 1HD1 LEU 52 1HD1 LEU 52 8.385 2.825 4.671 425 2HD1 LEU 52 3HD1 LEU 52 7.892 1.281 3.975 426 3HD1 LEU 52 2HD1 LEU 52 9.321 1.368 5.006 427 1HD2 LEU 52 3HD2 LEU 52 10.709 1.073 1.573 428 2HD2 LEU 52 2HD2 LEU 52 10.827 0.418 3.205 429 3HD2 LEU 52 1HD2 LEU 52 9.353 0.186 2.266 430 H GLU 53 H GLU 53 10.259 3.056 -1.496 431 HA GLU 53 HA GLU 53 8.216 4.474 -2.855 432 1HB GLU 53 HB2 GLU 53 10.428 2.694 -3.556 433 2HB GLU 53 HB3 GLU 53 9.036 2.504 -4.611 434 1HG GLU 53 HG2 GLU 53 9.851 5.268 -4.061 435 2HG GLU 53 HG3 GLU 53 10.993 4.296 -4.986 436 H VAL 54 H VAL 54 6.380 3.673 -1.553 437 HA VAL 54 HA VAL 54 5.602 0.919 -1.914 438 HB VAL 54 HB VAL 54 3.687 2.935 -0.854 439 1HG1 VAL 54 2HG1 VAL 54 4.396 0.088 -0.174 440 2HG1 VAL 54 1HG1 VAL 54 3.155 1.038 0.640 441 3HG1 VAL 54 3HG1 VAL 54 2.984 0.649 -1.072 442 1HG2 VAL 54 2HG2 VAL 54 6.148 1.982 0.593 443 2HG2 VAL 54 1HG2 VAL 54 5.656 3.644 0.276 444 3HG2 VAL 54 3HG2 VAL 54 4.732 2.653 1.403 445 H VAL 55 H VAL 55 5.275 0.656 -4.099 446 HA VAL 55 HA VAL 55 3.253 2.278 -5.421 447 HB VAL 55 HB VAL 55 4.773 -0.075 -6.528 448 1HG1 VAL 55 3HG1 VAL 55 2.723 0.577 -7.727 449 2HG1 VAL 55 2HG1 VAL 55 3.368 2.207 -7.916 450 3HG1 VAL 55 1HG1 VAL 55 4.174 0.845 -8.695 451 1HG2 VAL 55 3HG2 VAL 55 6.356 1.632 -5.779 452 2HG2 VAL 55 2HG2 VAL 55 6.307 1.559 -7.541 453 3HG2 VAL 55 1HG2 VAL 55 5.477 2.861 -6.688 454 H CYS 56 H CYS 56 1.316 1.668 -4.517 455 HA CYS 56 HA CYS 56 0.661 -1.196 -4.679 456 1HB CYS 56 HB2 CYS 56 0.554 -0.413 -2.406 457 2HB CYS 56 HB3 CYS 56 -0.468 0.938 -2.877 458 HG CYS 56 HG CYS 56 -2.616 -0.757 -3.651 459 H LYS 57 H LYS 57 -1.290 -1.864 -5.467 460 HA LYS 57 HA LYS 57 -2.872 0.134 -6.928 461 1HB LYS 57 HB2 LYS 57 -2.443 -2.681 -7.888 462 2HB LYS 57 HB3 LYS 57 -3.100 -1.321 -8.782 463 1HG LYS 57 HG2 LYS 57 -0.920 -0.254 -8.815 464 2HG LYS 57 HG3 LYS 57 -0.243 -1.581 -7.866 465 1HD LYS 57 HD2 LYS 57 -0.788 -3.144 -9.674 466 2HD LYS 57 HD3 LYS 57 -1.447 -1.810 -10.624 467 1HE LYS 57 HE2 LYS 57 0.742 -0.737 -10.654 468 2HE LYS 57 HE3 LYS 57 1.406 -2.044 -9.676 469 1HZ LYS 57 HZ2 LYS 57 0.270 -2.338 -12.403 470 2HZ LYS 57 HZ1 LYS 57 1.915 -2.344 -12.016 471 3HZ LYS 57 HZ3 LYS 57 0.912 -3.590 -11.464 472 H TYR 58 H TYR 58 -4.737 0.252 -5.911 473 HA TYR 58 HA TYR 58 -5.818 -1.997 -4.455 474 1HB TYR 58 HB2 TYR 58 -5.948 0.383 -3.616 475 2HB TYR 58 HB3 TYR 58 -7.086 0.716 -4.918 476 HD1 TYR 58 HD1 TYR 58 -7.191 0.652 -1.667 477 HD2 TYR 58 HD2 TYR 58 -8.764 -1.746 -4.833 478 HE1 TYR 58 HE1 TYR 58 -9.069 -0.050 -0.236 479 HE2 TYR 58 HE2 TYR 58 -10.613 -2.465 -3.401 480 HH TYR 58 HH TYR 58 -11.351 -0.916 -0.466 481 H THR 59 H THR 59 -6.599 -3.556 -5.734 482 HA THR 59 HA THR 59 -8.328 -2.819 -7.993 483 HB THR 59 HB THR 59 -7.098 -5.514 -7.378 484 HG1 THR 59 HG1 THR 59 -5.436 -4.924 -8.626 485 1HG2 THR 59 1HG2 THR 59 -8.438 -4.441 -9.865 486 2HG2 THR 59 3HG2 THR 59 -7.672 -6.022 -9.712 487 3HG2 THR 59 2HG2 THR 59 -9.107 -5.642 -8.761 488 HA PRO 60 HA PRO 60 -11.572 -4.542 -5.399 489 1HB PRO 60 HB2 PRO 60 -13.543 -2.989 -6.278 490 2HB PRO 60 HB3 PRO 60 -12.240 -2.314 -5.298 491 1HG PRO 60 HG2 PRO 60 -12.760 -2.043 -8.204 492 2HG PRO 60 HG3 PRO 60 -11.929 -0.933 -7.102 493 1HD PRO 60 HD2 PRO 60 -10.771 -2.861 -8.877 494 2HD PRO 60 HD3 PRO 60 -9.937 -1.761 -7.763 495 H THR 61 H THR 61 -10.810 -5.245 -8.418 496 HA THR 61 HA THR 61 -13.196 -5.992 -9.699 497 HB THR 61 HB THR 61 -10.599 -7.470 -10.050 498 HG1 THR 61 HG1 THR 61 -11.131 -5.211 -11.603 499 1HG2 THR 61 1HG2 THR 61 -12.525 -8.320 -11.291 500 2HG2 THR 61 3HG2 THR 61 -12.791 -6.718 -11.982 501 3HG2 THR 61 2HG2 THR 61 -11.328 -7.618 -12.381 502 HA PRO 62 HA PRO 62 -14.657 -9.412 -7.278 503 1HB PRO 62 HB2 PRO 62 -15.737 -10.872 -9.391 504 2HB PRO 62 HB3 PRO 62 -16.568 -9.602 -8.489 505 1HG PRO 62 HG2 PRO 62 -15.161 -9.453 -11.119 506 2HG PRO 62 HG3 PRO 62 -16.656 -8.654 -10.596 507 1HD PRO 62 HD2 PRO 62 -14.343 -7.313 -10.732 508 2HD PRO 62 HD3 PRO 62 -15.509 -7.003 -9.427 509 H SER 63 H SER 63 -14.166 -11.569 -6.833 510 HA SER 63 HA SER 63 -11.618 -12.456 -7.758 511 1HB SER 63 HB2 SER 63 -13.674 -13.866 -6.037 512 2HB SER 63 HB3 SER 63 -12.008 -14.395 -6.273 513 HG SER 63 HG SER 63 -12.841 -11.941 -5.117 514 H SER 64 H SER 64 -11.672 -15.104 -8.066 515 HA SER 64 HA SER 64 -12.523 -15.453 -10.729 516 1HB SER 64 HB2 SER 64 -11.722 -17.538 -8.683 517 2HB SER 64 HB3 SER 64 -11.855 -17.811 -10.420 518 HG SER 64 HG SER 64 -9.888 -17.115 -10.540 519 H THR 65 H THR 65 -13.880 -16.557 -7.648 520 HA THR 65 HA THR 65 -16.095 -17.870 -8.972 521 HB THR 65 HB THR 65 -16.888 -18.370 -6.681 522 HG1 THR 65 HG1 THR 65 -14.553 -16.920 -5.916 523 1HG2 THR 65 3HG2 THR 65 -15.339 -19.906 -7.783 524 2HG2 THR 65 2HG2 THR 65 -13.969 -18.992 -7.151 525 3HG2 THR 65 1HG2 THR 65 -15.040 -19.855 -6.046 526 HA PRO 66 HA PRO 66 -18.923 -14.472 -8.766 527 1HB PRO 66 HB2 PRO 66 -21.286 -15.733 -8.629 528 2HB PRO 66 HB3 PRO 66 -20.266 -15.848 -10.067 529 1HG PRO 66 HG2 PRO 66 -20.545 -17.779 -7.786 530 2HG PRO 66 HG3 PRO 66 -20.572 -18.111 -9.529 531 1HD PRO 66 HD2 PRO 66 -18.357 -18.466 -8.005 532 2HD PRO 66 HD3 PRO 66 -18.274 -17.981 -9.712 533 H MET 67 H MET 67 -21.409 -14.471 -7.443 534 HA MET 67 HA MET 67 -22.374 -13.899 -5.468 535 1HB MET 67 HB2 MET 67 -20.391 -15.875 -4.328 536 2HB MET 67 HB3 MET 67 -21.780 -15.221 -3.472 537 1HG MET 67 HG2 MET 67 -21.867 -16.931 -5.947 538 2HG MET 67 HG3 MET 67 -22.227 -17.457 -4.303 539 1HE MET 67 HE2 MET 67 -24.317 -16.599 -2.900 540 2HE MET 67 HE1 MET 67 -23.808 -14.931 -3.163 541 3HE MET 67 HE3 MET 67 -25.472 -15.409 -3.499 542 H VAL 68 H VAL 68 -19.735 -12.659 -6.441 543 HA VAL 68 HA VAL 68 -19.198 -11.182 -3.951 544 HB VAL 68 HB VAL 68 -17.128 -11.963 -6.013 545 1HG1 VAL 68 1HG1 VAL 68 -16.854 -10.395 -3.450 546 2HG1 VAL 68 3HG1 VAL 68 -15.519 -10.929 -4.470 547 3HG1 VAL 68 2HG1 VAL 68 -16.686 -9.759 -5.086 548 1HG2 VAL 68 1HG2 VAL 68 -17.779 -13.840 -4.598 549 2HG2 VAL 68 3HG2 VAL 68 -16.143 -13.301 -4.216 550 3HG2 VAL 68 2HG2 VAL 68 -17.486 -12.868 -3.157 551 H GLY 69 H GLY 69 -20.010 -9.210 -4.247 552 1HA GLY 69 HA3 GLY 69 -20.795 -7.346 -5.407 553 2HA GLY 69 HA2 GLY 69 -20.161 -8.034 -6.894 554 H VAL 70 H VAL 70 -18.208 -7.386 -7.637 555 HA VAL 70 HA VAL 70 -16.209 -6.305 -7.777 556 HB VAL 70 HB VAL 70 -17.776 -4.239 -6.235 557 1HG1 VAL 70 3HG1 VAL 70 -15.284 -3.945 -7.914 558 2HG1 VAL 70 2HG1 VAL 70 -16.229 -2.610 -7.255 559 3HG1 VAL 70 1HG1 VAL 70 -15.405 -3.727 -6.168 560 1HG2 VAL 70 2HG2 VAL 70 -17.423 -4.643 -9.200 561 2HG2 VAL 70 1HG2 VAL 70 -18.898 -4.920 -8.276 562 3HG2 VAL 70 3HG2 VAL 70 -18.258 -3.286 -8.444 563 H GLY 71 H GLY 71 -15.053 -7.797 -6.453 564 1HA GLY 71 HA3 GLY 71 -14.693 -8.165 -3.887 565 2HA GLY 71 HA2 GLY 71 -14.034 -6.543 -4.015 566 H GLY 72 H GLY 72 -11.938 -6.349 -4.480 567 1HA GLY 72 HA3 GLY 72 -10.083 -7.010 -5.947 568 2HA GLY 72 HA2 GLY 72 -10.572 -8.673 -5.689 569 H ILE 73 H ILE 73 -8.231 -6.607 -4.972 570 HA ILE 73 HA ILE 73 -7.905 -7.257 -2.169 571 HB ILE 73 HB ILE 73 -5.618 -8.163 -2.548 572 1HG1 ILE 73 2HG1 ILE 73 -6.415 -8.872 -5.333 573 2HG1 ILE 73 3HG1 ILE 73 -5.652 -7.315 -5.008 574 1HG2 ILE 73 2HG2 ILE 73 -7.565 -9.579 -2.005 575 2HG2 ILE 73 1HG2 ILE 73 -7.759 -9.894 -3.729 576 3HG2 ILE 73 3HG2 ILE 73 -6.291 -10.412 -2.896 577 1HD1 ILE 73 1HD1 ILE 73 -3.748 -8.469 -3.994 578 2HD1 ILE 73 3HD1 ILE 73 -4.508 -10.021 -4.348 579 3HD1 ILE 73 2HD1 ILE 73 -4.002 -8.965 -5.670 580 H TYR 74 H TYR 74 -5.222 -6.682 -1.930 581 HA TYR 74 HA TYR 74 -4.927 -3.982 -3.038 582 1HB TYR 74 HB2 TYR 74 -4.066 -4.543 -0.228 583 2HB TYR 74 HB3 TYR 74 -4.560 -3.020 -0.961 584 HD1 TYR 74 HD1 TYR 74 -6.842 -2.320 -0.930 585 HD2 TYR 74 HD2 TYR 74 -5.804 -6.207 0.440 586 HE1 TYR 74 HE1 TYR 74 -9.090 -2.592 0.031 587 HE2 TYR 74 HE2 TYR 74 -8.044 -6.480 1.393 588 HH TYR 74 HH TYR 74 -9.893 -5.073 2.185 589 H VAL 75 H VAL 75 -3.283 -4.464 -4.444 590 HA VAL 75 HA VAL 75 -1.057 -6.124 -3.613 591 HB VAL 75 HB VAL 75 -1.569 -4.648 -6.200 592 1HG1 VAL 75 1HG1 VAL 75 0.653 -6.550 -5.463 593 2HG1 VAL 75 3HG1 VAL 75 0.307 -5.983 -7.097 594 3HG1 VAL 75 2HG1 VAL 75 0.817 -4.839 -5.856 595 1HG2 VAL 75 1HG2 VAL 75 -3.087 -6.518 -5.786 596 2HG2 VAL 75 3HG2 VAL 75 -1.981 -6.872 -7.114 597 3HG2 VAL 75 2HG2 VAL 75 -1.706 -7.583 -5.524 598 H VAL 76 H VAL 76 0.269 -5.172 -2.202 599 HA VAL 76 HA VAL 76 1.071 -2.384 -2.655 600 HB VAL 76 HB VAL 76 1.585 -4.097 -0.225 601 1HG1 VAL 76 3HG1 VAL 76 1.808 -1.124 -0.668 602 2HG1 VAL 76 2HG1 VAL 76 2.031 -1.949 0.874 603 3HG1 VAL 76 1HG1 VAL 76 3.144 -2.255 -0.459 604 1HG2 VAL 76 2HG2 VAL 76 -0.814 -3.802 -0.570 605 2HG2 VAL 76 1HG2 VAL 76 -0.256 -2.889 0.833 606 3HG2 VAL 76 3HG2 VAL 76 -0.588 -2.057 -0.685 607 H LEU 77 H LEU 77 2.988 -1.942 -3.550 608 HA LEU 77 HA LEU 77 5.128 -3.956 -3.362 609 1HB LEU 77 HB2 LEU 77 4.630 -1.830 -5.443 610 2HB LEU 77 HB3 LEU 77 6.089 -2.796 -5.371 611 HG LEU 77 HG LEU 77 3.277 -3.786 -5.894 612 1HD1 LEU 77 3HD1 LEU 77 4.311 -2.670 -7.793 613 2HD1 LEU 77 2HD1 LEU 77 5.734 -3.702 -7.639 614 3HD1 LEU 77 1HD1 LEU 77 4.177 -4.405 -8.079 615 1HD2 LEU 77 3HD2 LEU 77 4.900 -5.273 -4.504 616 2HD2 LEU 77 2HD2 LEU 77 4.015 -5.970 -5.863 617 3HD2 LEU 77 1HD2 LEU 77 5.706 -5.513 -6.053 618 H VAL 78 H VAL 78 6.091 -3.299 -1.482 619 HA VAL 78 HA VAL 78 6.769 -0.469 -1.197 620 HB VAL 78 HB VAL 78 7.702 -2.321 0.896 621 1HG1 VAL 78 3HG1 VAL 78 7.780 0.169 1.024 622 2HG1 VAL 78 2HG1 VAL 78 6.012 0.186 1.016 623 3HG1 VAL 78 1HG1 VAL 78 6.884 -0.577 2.349 624 1HG2 VAL 78 1HG2 VAL 78 4.771 -1.963 0.292 625 2HG2 VAL 78 3HG2 VAL 78 5.666 -3.476 0.422 626 3HG2 VAL 78 2HG2 VAL 78 5.387 -2.490 1.856 627 H LYS 79 H LYS 79 8.502 0.147 -2.252 628 HA LYS 79 HA LYS 79 10.864 -1.602 -2.314 629 1HB LYS 79 HB2 LYS 79 9.760 0.439 -4.195 630 2HB LYS 79 HB3 LYS 79 11.495 0.153 -4.182 631 1HG LYS 79 HG2 LYS 79 11.103 -2.217 -4.642 632 2HG LYS 79 HG3 LYS 79 9.355 -1.916 -4.686 633 1HD LYS 79 HD2 LYS 79 11.379 -0.602 -6.503 634 2HD LYS 79 HD3 LYS 79 10.403 -2.007 -6.937 635 1HE LYS 79 HE2 LYS 79 8.364 -0.693 -6.585 636 2HE LYS 79 HE3 LYS 79 9.346 0.711 -6.169 637 1HZ LYS 79 HZ2 LYS 79 9.349 -0.679 -8.792 638 2HZ LYS 79 HZ1 LYS 79 8.603 0.802 -8.462 639 3HZ LYS 79 HZ3 LYS 79 10.288 0.669 -8.392 640 HA PRO 80 HA PRO 80 12.208 1.552 0.748 641 1HB PRO 80 HB2 PRO 80 14.592 0.141 1.165 642 2HB PRO 80 HB3 PRO 80 13.137 0.057 2.158 643 1HG PRO 80 HG2 PRO 80 14.090 -1.788 0.032 644 2HG PRO 80 HG3 PRO 80 13.177 -2.145 1.509 645 1HD PRO 80 HD2 PRO 80 12.014 -2.129 -0.922 646 2HD PRO 80 HD3 PRO 80 11.150 -1.600 0.539 647 H ARG 81 H ARG 81 12.669 3.246 -0.544 648 HA ARG 81 HA ARG 81 14.519 3.250 -2.665 649 1HB ARG 81 HB2 ARG 81 12.804 5.163 -1.324 650 2HB ARG 81 HB3 ARG 81 14.350 5.881 -1.756 651 1HG ARG 81 HG2 ARG 81 14.038 5.345 -4.060 652 2HG ARG 81 HG3 ARG 81 12.599 4.388 -3.693 653 1HD ARG 81 HD2 ARG 81 11.419 6.358 -2.969 654 2HD ARG 81 HD3 ARG 81 12.866 7.346 -3.176 655 HE ARG 81 HE ARG 81 12.221 6.089 -5.614 656 1HH1 ARG 81 1HH1 ARG 81 11.099 8.613 -3.490 657 2HH1 ARG 81 2HH1 ARG 81 10.361 9.530 -4.760 658 1HH2 ARG 81 1HH2 ARG 81 11.251 7.291 -7.292 659 2HH2 ARG 81 2HH2 ARG 81 10.446 8.779 -6.920 660 H LYS 82 H LYS 82 14.799 4.315 0.705 661 HA LYS 82 HA LYS 82 17.685 4.696 0.297 662 1HB LYS 82 HB2 LYS 82 16.008 5.655 2.620 663 2HB LYS 82 HB3 LYS 82 17.667 6.106 2.254 664 1HG LYS 82 HG2 LYS 82 16.912 7.223 0.215 665 2HG LYS 82 HG3 LYS 82 15.247 6.775 0.591 666 1HD LYS 82 HD2 LYS 82 15.420 8.046 2.704 667 2HD LYS 82 HD3 LYS 82 17.043 8.557 2.233 668 1HE LYS 82 HE2 LYS 82 14.495 9.137 0.724 669 2HE LYS 82 HE3 LYS 82 15.385 10.280 1.730 670 1HZ LYS 82 HZ1 LYS 82 17.270 10.076 0.232 671 2HZ LYS 82 HZ3 LYS 82 16.415 8.979 -0.733 672 3HZ LYS 82 HZ2 LYS 82 15.893 10.584 -0.608 673 H ARG 83 H ARG 83 18.958 4.260 2.416 674 HA ARG 83 HA ARG 83 18.171 1.588 3.366 675 1HB ARG 83 HB2 ARG 83 20.942 2.777 3.400 676 2HB ARG 83 HB3 ARG 83 20.495 1.099 3.669 677 1HG ARG 83 HG2 ARG 83 19.874 0.827 1.375 678 2HG ARG 83 HG3 ARG 83 20.091 2.550 1.065 679 1HD ARG 83 HD2 ARG 83 21.995 1.312 0.231 680 2HD ARG 83 HD3 ARG 83 22.480 2.326 1.589 681 HE ARG 83 HE ARG 83 21.848 -0.183 2.607 682 1HH1 ARG 83 1HH1 ARG 83 24.194 1.248 0.466 683 2HH1 ARG 83 2HH1 ARG 83 25.428 0.090 0.833 684 1HH2 ARG 83 1HH2 ARG 83 23.467 -1.715 3.097 685 2HH2 ARG 83 2HH2 ARG 83 25.014 -1.595 2.328 686 H GLY 84 H GLY 84 18.190 1.112 5.538 687 1HA GLY 84 HA3 GLY 84 18.342 3.452 7.319 688 2HA GLY 84 HA2 GLY 84 19.211 1.983 7.736 689 H HIS 85 H HIS 85 17.076 3.346 9.198 690 HA HIS 85 HA HIS 85 15.393 1.017 9.610 691 1HB HIS 85 HB2 HIS 85 15.559 3.627 11.128 692 2HB HIS 85 HB3 HIS 85 14.583 2.240 11.600 693 HD1 HIS 85 HD1 HIS 85 17.965 3.635 11.845 694 HD2 HIS 85 HD2 HIS 85 16.145 -0.061 12.388 695 HE1 HIS 85 HE1 HIS 85 19.621 2.254 13.139 696 HE2 HIS 85 HE2 HIS 85 18.463 0.051 13.530 697 H HIS 86 H HIS 86 13.999 0.982 7.878 698 HA HIS 86 HA HIS 86 12.193 3.287 7.583 699 1HB HIS 86 HB2 HIS 86 12.788 1.034 5.648 700 2HB HIS 86 HB3 HIS 86 11.631 2.333 5.365 701 HD1 HIS 86 HD1 HIS 86 14.439 3.790 7.026 702 HD2 HIS 86 HD2 HIS 86 13.605 2.637 3.123 703 HE1 HIS 86 HE1 HIS 86 16.098 5.022 5.593 704 HE2 HIS 86 HE2 HIS 86 15.620 4.251 3.243 705 H THR 87 H THR 87 9.915 2.848 7.267 706 HA THR 87 HA THR 87 8.901 0.224 7.861 707 HB THR 87 HB THR 87 8.479 2.421 9.895 708 HG1 THR 87 HG1 THR 87 9.769 -0.102 10.198 709 1HG2 THR 87 2HG2 THR 87 6.492 1.004 9.530 710 2HG2 THR 87 1HG2 THR 87 7.470 -0.425 9.868 711 3HG2 THR 87 3HG2 THR 87 7.192 0.774 11.132 712 H LEU 88 H LEU 88 6.676 0.021 7.574 713 HA LEU 88 HA LEU 88 5.269 2.383 6.522 714 1HB LEU 88 HB2 LEU 88 6.134 0.624 4.811 715 2HB LEU 88 HB3 LEU 88 4.839 -0.380 5.428 716 HG LEU 88 HG LEU 88 3.200 1.326 4.759 717 1HD1 LEU 88 1HD1 LEU 88 5.591 2.754 3.598 718 2HD1 LEU 88 3HD1 LEU 88 3.902 3.199 3.349 719 3HD1 LEU 88 2HD1 LEU 88 4.613 3.303 4.959 720 1HD2 LEU 88 1HD2 LEU 88 4.025 -0.538 3.250 721 2HD2 LEU 88 3HD2 LEU 88 3.232 0.825 2.463 722 3HD2 LEU 88 2HD2 LEU 88 4.988 0.693 2.433 723 H GLU 89 H GLU 89 3.067 2.501 7.096 724 HA GLU 89 HA GLU 89 2.179 0.369 8.926 725 1HB GLU 89 HB2 GLU 89 1.276 3.190 9.303 726 2HB GLU 89 HB3 GLU 89 1.383 1.887 10.477 727 1HG GLU 89 HG2 GLU 89 3.833 2.057 10.406 728 2HG GLU 89 HG3 GLU 89 3.689 3.398 9.274 729 H LEU 90 H LEU 90 1.000 -0.631 7.249 730 HA LEU 90 HA LEU 90 -1.051 0.784 5.845 731 1HB LEU 90 HB2 LEU 90 -0.324 -2.115 6.126 732 2HB LEU 90 HB3 LEU 90 -1.802 -1.633 5.319 733 HG LEU 90 HG LEU 90 -0.572 -0.447 3.632 734 1HD1 LEU 90 1HD1 LEU 90 1.797 -0.983 5.383 735 2HD1 LEU 90 3HD1 LEU 90 1.971 -0.641 3.663 736 3HD1 LEU 90 2HD1 LEU 90 1.224 0.553 4.723 737 1HD2 LEU 90 1HD2 LEU 90 -0.857 -2.863 3.336 738 2HD2 LEU 90 3HD2 LEU 90 0.621 -2.274 2.577 739 3HD2 LEU 90 2HD2 LEU 90 0.701 -3.132 4.114 740 H VAL 91 H VAL 91 -3.026 1.256 6.531 741 HA VAL 91 HA VAL 91 -4.082 -0.222 8.858 742 HB VAL 91 HB VAL 91 -3.411 2.106 9.389 743 1HG1 VAL 91 2HG1 VAL 91 -5.531 2.819 7.364 744 2HG1 VAL 91 1HG1 VAL 91 -4.809 3.956 8.507 745 3HG1 VAL 91 3HG1 VAL 91 -3.804 3.183 7.281 746 1HG2 VAL 91 1HG2 VAL 91 -6.367 1.536 9.535 747 2HG2 VAL 91 3HG2 VAL 91 -5.139 1.055 10.708 748 3HG2 VAL 91 2HG2 VAL 91 -5.521 2.762 10.480 749 H TYR 92 H TYR 92 -6.391 -0.404 9.006 750 HA TYR 92 HA TYR 92 -7.722 -0.474 6.387 751 1HB TYR 92 HB2 TYR 92 -7.499 -2.519 7.991 752 2HB TYR 92 HB3 TYR 92 -8.787 -1.738 8.899 753 HD1 TYR 92 HD1 TYR 92 -10.643 -3.103 8.604 754 HD2 TYR 92 HD2 TYR 92 -8.327 -2.006 5.209 755 HE1 TYR 92 HE1 TYR 92 -12.306 -4.162 7.135 756 HE2 TYR 92 HE2 TYR 92 -9.985 -3.057 3.731 757 HH TYR 92 HH TYR 92 -11.720 -4.792 3.854 758 H THR 93 H THR 93 -8.512 1.599 6.145 759 HA THR 93 HA THR 93 -10.355 2.570 8.244 760 HB THR 93 HB THR 93 -8.417 3.967 8.282 761 HG1 THR 93 HG1 THR 93 -9.525 5.931 7.140 762 1HG2 THR 93 2HG2 THR 93 -8.674 3.756 5.329 763 2HG2 THR 93 1HG2 THR 93 -8.035 5.262 5.995 764 3HG2 THR 93 3HG2 THR 93 -7.230 3.732 6.345 765 H ARG 94 H ARG 94 -11.872 4.279 7.416 766 HA ARG 94 HA ARG 94 -12.977 3.431 4.834 767 1HB ARG 94 HB2 ARG 94 -14.261 5.045 7.047 768 2HB ARG 94 HB3 ARG 94 -15.061 4.481 5.587 769 1HG ARG 94 HG2 ARG 94 -14.687 2.161 6.294 770 2HG ARG 94 HG3 ARG 94 -13.929 2.750 7.773 771 1HD ARG 94 HD2 ARG 94 -16.250 2.128 8.171 772 2HD ARG 94 HD3 ARG 94 -16.009 3.859 8.406 773 HE ARG 94 HE ARG 94 -16.833 3.421 5.765 774 1HH1 ARG 94 1HH1 ARG 94 -18.075 3.205 9.013 775 2HH1 ARG 94 2HH1 ARG 94 -19.714 3.510 8.544 776 1HH2 ARG 94 1HH2 ARG 94 -18.988 3.824 5.139 777 2HH2 ARG 94 2HH2 ARG 94 -20.233 3.861 6.341 778 HA PRO 95 HA PRO 95 -10.784 7.242 3.442 779 1HB PRO 95 HB2 PRO 95 -12.265 6.264 1.034 780 2HB PRO 95 HB3 PRO 95 -10.624 6.901 1.158 781 1HG PRO 95 HG2 PRO 95 -11.067 4.277 0.955 782 2HG PRO 95 HG3 PRO 95 -9.778 4.913 1.989 783 1HD PRO 95 HD2 PRO 95 -12.384 3.722 2.739 784 2HD PRO 95 HD3 PRO 95 -10.857 3.767 3.637 785 H PHE 96 H PHE 96 -14.147 6.297 3.137 786 HA PHE 96 HA PHE 96 -15.127 8.793 2.238 787 1HB PHE 96 HB2 PHE 96 -16.498 6.466 3.591 788 2HB PHE 96 HB3 PHE 96 -17.320 7.817 2.837 789 HD1 PHE 96 HD1 PHE 96 -17.737 7.857 0.527 790 HD2 PHE 96 HD2 PHE 96 -15.068 4.972 2.160 791 HE1 PHE 96 HE1 PHE 96 -17.680 6.689 -1.638 792 HE2 PHE 96 HE2 PHE 96 -15.004 3.799 0.000 793 HZ PHE 96 HZ PHE 96 -16.312 4.657 -1.904 794 H GLU 97 H GLU 97 -14.995 7.224 5.429 795 HA GLU 97 HA GLU 97 -16.006 9.650 6.696 796 1HB GLU 97 HB2 GLU 97 -15.314 6.943 7.853 797 2HB GLU 97 HB3 GLU 97 -15.981 8.284 8.774 798 1HG GLU 97 HG2 GLU 97 -17.323 6.880 6.472 799 2HG GLU 97 HG3 GLU 97 -17.693 6.659 8.182 800 H GLY 98 H GLY 98 -13.352 7.412 7.493 801 1HA GLY 98 HA3 GLY 98 -11.890 9.523 8.815 802 2HA GLY 98 HA2 GLY 98 -11.156 8.995 7.306 803 H ILE 99 H ILE 99 -9.446 8.566 9.004 804 HA ILE 99 HA ILE 99 -9.491 5.719 9.512 805 HB ILE 99 HB ILE 99 -7.210 7.513 10.231 806 1HG1 ILE 99 2HG1 ILE 99 -7.620 6.394 7.460 807 2HG1 ILE 99 3HG1 ILE 99 -8.152 8.021 7.888 808 1HG2 ILE 99 3HG2 ILE 99 -7.713 4.659 9.837 809 2HG2 ILE 99 2HG2 ILE 99 -6.264 5.243 9.013 810 3HG2 ILE 99 1HG2 ILE 99 -6.441 5.469 10.755 811 1HD1 ILE 99 2HD1 ILE 99 -5.324 6.985 8.044 812 2HD1 ILE 99 1HD1 ILE 99 -5.978 8.039 6.788 813 3HD1 ILE 99 3HD1 ILE 99 -5.854 8.618 8.451 814 H LYS 100 H LYS 100 -9.442 4.731 11.461 815 HA LYS 100 HA LYS 100 -9.627 6.443 13.848 816 1HB LYS 100 HB2 LYS 100 -11.177 3.967 13.993 817 2HB LYS 100 HB3 LYS 100 -11.633 5.607 14.433 818 1HG LYS 100 HG2 LYS 100 -11.922 6.059 11.972 819 2HG LYS 100 HG3 LYS 100 -11.763 4.319 11.725 820 1HD LYS 100 HD2 LYS 100 -14.040 4.500 11.887 821 2HD LYS 100 HD3 LYS 100 -13.629 4.223 13.581 822 1HE LYS 100 HE2 LYS 100 -14.061 6.922 12.305 823 2HE LYS 100 HE3 LYS 100 -15.242 6.060 13.291 824 1HZ LYS 100 HZ1 LYS 100 -13.692 6.158 15.153 825 2HZ LYS 100 HZ3 LYS 100 -12.581 7.013 14.205 826 3HZ LYS 100 HZ2 LYS 100 -14.073 7.709 14.593 827 HA PRO 101 HA PRO 101 -6.752 3.747 15.817 828 1HB PRO 101 HB2 PRO 101 -8.325 3.648 18.280 829 2HB PRO 101 HB3 PRO 101 -6.789 4.451 17.974 830 1HG PRO 101 HG2 PRO 101 -9.077 5.820 18.374 831 2HG PRO 101 HG3 PRO 101 -7.797 6.399 17.299 832 1HD PRO 101 HD2 PRO 101 -10.360 5.012 16.609 833 2HD PRO 101 HD3 PRO 101 -9.598 6.413 15.824 834 H GLU 102 H GLU 102 -10.130 2.859 16.291 835 HA GLU 102 HA GLU 102 -9.589 0.156 17.039 836 1HB GLU 102 HB2 GLU 102 -12.018 -0.161 16.778 837 2HB GLU 102 HB3 GLU 102 -11.626 1.240 17.770 838 1HG GLU 102 HG2 GLU 102 -12.011 2.702 15.884 839 2HG GLU 102 HG3 GLU 102 -12.354 1.312 14.861 840 H ASN 103 H ASN 103 -8.795 1.457 14.302 841 HA ASN 103 HA ASN 103 -10.047 -0.381 12.441 842 1HB ASN 103 HB2 ASN 103 -8.098 1.892 12.156 843 2HB ASN 103 HB3 ASN 103 -8.479 0.828 10.807 844 1HD2 ASN 103 1HD2 ASN 103 -10.876 1.573 13.194 845 2HD2 ASN 103 2HD2 ASN 103 -11.836 2.612 12.206 846 H GLU 104 H GLU 104 -8.928 -1.905 11.180 847 HA GLU 104 HA GLU 104 -7.094 -3.519 12.473 848 1HB GLU 104 HB2 GLU 104 -8.577 -3.744 10.229 849 2HB GLU 104 HB3 GLU 104 -6.992 -3.498 9.513 850 1HG GLU 104 HG2 GLU 104 -6.145 -5.453 10.386 851 2HG GLU 104 HG3 GLU 104 -7.368 -5.542 11.652 852 H ARG 105 H ARG 105 -4.866 -4.052 11.774 853 HA ARG 105 HA ARG 105 -3.379 -1.687 10.842 854 1HB ARG 105 HB2 ARG 105 -3.300 -1.905 13.337 855 2HB ARG 105 HB3 ARG 105 -2.533 -3.468 13.132 856 1HG ARG 105 HG2 ARG 105 -0.689 -2.157 13.479 857 2HG ARG 105 HG3 ARG 105 -0.814 -2.085 11.716 858 1HD ARG 105 HD2 ARG 105 -0.466 0.138 12.648 859 2HD ARG 105 HD3 ARG 105 -2.041 0.013 11.858 860 HE ARG 105 HE ARG 105 -2.472 -0.604 14.505 861 1HH1 ARG 105 1HH1 ARG 105 -1.260 2.127 12.708 862 2HH1 ARG 105 2HH1 ARG 105 -1.810 3.296 13.862 863 1HH2 ARG 105 1HH2 ARG 105 -3.201 0.931 16.030 864 2HH2 ARG 105 2HH2 ARG 105 -2.914 2.616 15.750 865 H TYR 106 H TYR 106 -1.195 -2.182 10.119 866 HA TYR 106 HA TYR 106 -0.190 -4.779 9.779 867 1HB TYR 106 HB2 TYR 106 -2.039 -4.942 8.137 868 2HB TYR 106 HB3 TYR 106 -1.357 -3.572 7.258 869 HD1 TYR 106 HD1 TYR 106 -0.937 -7.115 8.115 870 HD2 TYR 106 HD2 TYR 106 0.632 -3.844 5.890 871 HE1 TYR 106 HE1 TYR 106 0.476 -8.669 6.837 872 HE2 TYR 106 HE2 TYR 106 2.051 -5.388 4.607 873 HH TYR 106 HH TYR 106 3.027 -7.631 4.856 874 H THR 107 H THR 107 1.328 -3.301 10.807 875 HA THR 107 HA THR 107 2.614 -1.314 9.149 876 HB THR 107 HB THR 107 3.436 -2.307 11.883 877 HG1 THR 107 HG1 THR 107 1.234 -1.292 11.567 878 1HG2 THR 107 1HG2 THR 107 4.099 0.215 10.367 879 2HG2 THR 107 3HG2 THR 107 4.556 -0.116 12.037 880 3HG2 THR 107 2HG2 THR 107 5.205 -1.107 10.730 881 H LEU 108 H LEU 108 3.770 -2.174 7.513 882 HA LEU 108 HA LEU 108 5.333 -4.564 7.845 883 1HB LEU 108 HB2 LEU 108 4.291 -4.158 5.716 884 2HB LEU 108 HB3 LEU 108 5.077 -2.599 5.571 885 HG LEU 108 HG LEU 108 7.265 -3.736 5.397 886 1HD1 LEU 108 2HD1 LEU 108 5.612 -6.257 5.400 887 2HD1 LEU 108 1HD1 LEU 108 7.336 -6.157 5.042 888 3HD1 LEU 108 3HD1 LEU 108 6.746 -5.753 6.654 889 1HD2 LEU 108 2HD2 LEU 108 6.025 -3.134 3.386 890 2HD2 LEU 108 1HD2 LEU 108 6.945 -4.620 3.149 891 3HD2 LEU 108 3HD2 LEU 108 5.204 -4.694 3.419 892 H HIS 109 H HIS 109 6.826 -4.073 9.455 893 HA HIS 109 HA HIS 109 8.607 -1.835 9.233 894 1HB HIS 109 HB2 HIS 109 8.210 -4.079 11.099 895 2HB HIS 109 HB3 HIS 109 9.833 -3.411 11.014 896 HD1 HIS 109 HD1 HIS 109 10.225 -1.142 12.084 897 HD2 HIS 109 HD2 HIS 109 6.235 -2.302 12.083 898 HE1 HIS 109 HE1 HIS 109 9.049 0.497 13.585 899 HE2 HIS 109 HE2 HIS 109 6.621 -0.171 13.499 900 H LEU 110 H LEU 110 10.638 -1.771 8.472 901 HA LEU 110 HA LEU 110 11.927 -4.189 7.490 902 1HB LEU 110 HB2 LEU 110 11.276 -1.815 5.744 903 2HB LEU 110 HB3 LEU 110 12.355 -3.113 5.277 904 HG LEU 110 HG LEU 110 9.402 -3.406 5.872 905 1HD1 LEU 110 3HD1 LEU 110 9.814 -2.182 3.807 906 2HD1 LEU 110 2HD1 LEU 110 10.894 -3.461 3.255 907 3HD1 LEU 110 1HD1 LEU 110 9.175 -3.791 3.471 908 1HD2 LEU 110 1HD2 LEU 110 10.850 -5.396 6.388 909 2HD2 LEU 110 3HD2 LEU 110 9.588 -5.666 5.188 910 3HD2 LEU 110 2HD2 LEU 110 11.260 -5.445 4.674 911 H ASN 111 H ASN 111 13.765 -4.014 8.675 912 HA ASN 111 HA ASN 111 15.069 -1.469 9.066 913 1HB ASN 111 HB2 ASN 111 15.025 -3.445 10.721 914 2HB ASN 111 HB3 ASN 111 16.256 -4.170 9.694 915 1HD2 ASN 111 1HD2 ASN 111 17.432 -1.553 9.043 916 2HD2 ASN 111 2HD2 ASN 111 18.317 -1.080 10.448 917 H VAL 112 H VAL 112 15.227 -1.085 6.736 918 HA VAL 112 HA VAL 112 16.616 -2.598 4.897 919 HB VAL 112 HB VAL 112 16.970 0.366 4.821 920 1HG1 VAL 112 1HG1 VAL 112 17.755 -1.128 3.001 921 2HG1 VAL 112 3HG1 VAL 112 16.080 -1.613 2.734 922 3HG1 VAL 112 2HG1 VAL 112 16.565 0.063 2.472 923 1HG2 VAL 112 3HG2 VAL 112 14.332 -1.063 4.576 924 2HG2 VAL 112 2HG2 VAL 112 14.746 0.278 5.643 925 3HG2 VAL 112 1HG2 VAL 112 14.633 0.538 3.904 926 H LYS 113 H LYS 113 18.662 -3.227 4.723 927 HA LYS 113 HA LYS 113 20.674 -2.043 6.458 928 1HB LYS 113 HB2 LYS 113 20.554 -4.547 4.800 929 2HB LYS 113 HB3 LYS 113 22.060 -3.984 5.499 930 1HG LYS 113 HG2 LYS 113 19.567 -4.591 7.067 931 2HG LYS 113 HG3 LYS 113 20.915 -5.709 6.845 932 1HD LYS 113 HD2 LYS 113 22.415 -4.089 7.924 933 2HD LYS 113 HD3 LYS 113 21.045 -3.005 8.177 934 1HE LYS 113 HE2 LYS 113 19.951 -4.709 9.543 935 2HE LYS 113 HE3 LYS 113 21.318 -5.793 9.289 936 1HZ LYS 113 HZ1 LYS 113 22.744 -4.199 10.418 937 2HZ LYS 113 HZ3 LYS 113 21.429 -3.162 10.666 938 3HZ LYS 113 HZ2 LYS 113 21.469 -4.675 11.421 No H/Q in entry = 938 Start of MODEL 5 1 H1 GLY -2 HT1 GLY -2 -8.560 -14.208 35.866 2 H2 GLY -2 HT3 GLY -2 -9.088 -15.789 35.575 3 H3 GLY -2 HT2 GLY -2 -7.900 -15.496 36.742 4 1HA GLY -2 HA2 GLY -2 -6.901 -16.401 34.746 5 2HA GLY -2 HA3 GLY -2 -6.352 -14.760 35.050 6 H SER -1 H SER -1 -6.796 -16.550 32.579 7 HA SER -1 HA SER -1 -8.577 -14.804 31.046 8 1HB SER -1 HB2 SER -1 -5.708 -15.396 30.276 9 2HB SER -1 HB3 SER -1 -6.883 -14.563 29.257 10 HG SER -1 HG SER -1 -6.461 -13.576 31.832 11 H HIS 0 H HIS 0 -9.621 -15.798 29.376 12 HA HIS 0 HA HIS 0 -8.995 -18.646 28.947 13 1HB HIS 0 HB2 HIS 0 -11.702 -17.297 28.864 14 2HB HIS 0 HB3 HIS 0 -11.398 -18.996 28.519 15 HD1 HIS 0 HD1 HIS 0 -12.111 -16.685 31.252 16 HD2 HIS 0 HD2 HIS 0 -10.484 -20.487 30.847 17 HE1 HIS 0 HE1 HIS 0 -12.184 -17.697 33.554 18 HE2 HIS 0 HE2 HIS 0 -11.118 -19.965 33.299 19 H MET 1 H MET 1 -8.226 -19.031 26.991 20 HA MET 1 HA MET 1 -7.802 -18.906 24.761 21 1HB MET 1 HB2 MET 1 -10.603 -17.770 24.672 22 2HB MET 1 HB3 MET 1 -9.698 -18.353 23.283 23 1HG MET 1 HG2 MET 1 -9.656 -20.594 24.240 24 2HG MET 1 HG3 MET 1 -10.548 -20.013 25.645 25 1HE MET 1 HE3 MET 1 -10.659 -20.709 21.792 26 2HE MET 1 HE2 MET 1 -12.282 -20.164 21.370 27 3HE MET 1 HE1 MET 1 -11.061 -18.993 21.869 28 H ILE 2 H ILE 2 -8.301 -17.158 22.774 29 HA ILE 2 HA ILE 2 -6.814 -14.822 23.648 30 HB ILE 2 HB ILE 2 -7.649 -15.707 20.881 31 1HG1 ILE 2 2HG1 ILE 2 -5.085 -15.976 20.702 32 2HG1 ILE 2 3HG1 ILE 2 -5.095 -15.929 22.462 33 1HG2 ILE 2 2HG2 ILE 2 -5.894 -13.407 21.729 34 2HG2 ILE 2 1HG2 ILE 2 -6.091 -13.976 20.071 35 3HG2 ILE 2 3HG2 ILE 2 -7.467 -13.299 20.941 36 1HD1 ILE 2 3HD1 ILE 2 -6.610 -17.908 20.780 37 2HD1 ILE 2 2HD1 ILE 2 -5.064 -18.210 21.574 38 3HD1 ILE 2 1HD1 ILE 2 -6.503 -17.886 22.541 39 H ALA 3 H ALA 3 -9.940 -15.594 22.193 40 HA ALA 3 HA ALA 3 -11.859 -14.401 21.941 41 1HB ALA 3 HB1 ALA 3 -11.685 -14.238 24.378 42 2HB ALA 3 HB3 ALA 3 -10.742 -12.758 24.209 43 3HB ALA 3 HB2 ALA 3 -12.425 -12.797 23.681 44 HA PRO 4 HA PRO 4 -9.809 -11.363 19.138 45 1HB PRO 4 HB2 PRO 4 -12.345 -11.891 17.687 46 2HB PRO 4 HB3 PRO 4 -10.685 -11.876 17.083 47 1HG PRO 4 HG2 PRO 4 -11.992 -14.174 17.432 48 2HG PRO 4 HG3 PRO 4 -10.264 -14.039 17.808 49 1HD PRO 4 HD2 PRO 4 -12.613 -14.067 19.660 50 2HD PRO 4 HD3 PRO 4 -11.015 -14.818 19.853 51 H LEU 5 H LEU 5 -10.016 -9.259 19.517 52 HA LEU 5 HA LEU 5 -12.703 -8.128 19.872 53 1HB LEU 5 HB2 LEU 5 -10.299 -7.548 21.604 54 2HB LEU 5 HB3 LEU 5 -11.806 -6.655 21.659 55 HG LEU 5 HG LEU 5 -11.509 -9.591 22.304 56 1HD1 LEU 5 3HD1 LEU 5 -11.875 -7.215 24.123 57 2HD1 LEU 5 2HD1 LEU 5 -11.884 -8.907 24.621 58 3HD1 LEU 5 1HD1 LEU 5 -10.413 -8.188 23.966 59 1HD2 LEU 5 2HD2 LEU 5 -13.860 -7.726 22.580 60 2HD2 LEU 5 1HD2 LEU 5 -13.710 -9.049 21.425 61 3HD2 LEU 5 3HD2 LEU 5 -13.796 -9.392 23.154 62 H SER 6 H SER 6 -9.311 -7.016 19.820 63 HA SER 6 HA SER 6 -9.817 -5.486 17.409 64 1HB SER 6 HB2 SER 6 -9.028 -4.122 19.995 65 2HB SER 6 HB3 SER 6 -9.067 -3.350 18.409 66 HG SER 6 HG SER 6 -10.984 -3.083 19.787 67 H VAL 7 H VAL 7 -7.782 -7.100 19.577 68 HA VAL 7 HA VAL 7 -5.325 -6.113 18.342 69 HB VAL 7 HB VAL 7 -5.698 -8.109 20.582 70 1HG1 VAL 7 1HG1 VAL 7 -3.204 -6.786 19.518 71 2HG1 VAL 7 3HG1 VAL 7 -3.289 -7.779 20.974 72 3HG1 VAL 7 2HG1 VAL 7 -3.618 -8.496 19.397 73 1HG2 VAL 7 3HG2 VAL 7 -6.430 -5.873 21.210 74 2HG2 VAL 7 2HG2 VAL 7 -4.933 -6.296 22.041 75 3HG2 VAL 7 1HG2 VAL 7 -4.895 -5.202 20.658 76 H LYS 8 H LYS 8 -4.183 -7.217 16.860 77 HA LYS 8 HA LYS 8 -4.692 -10.051 16.435 78 1HB LYS 8 HB2 LYS 8 -4.871 -7.952 14.255 79 2HB LYS 8 HB3 LYS 8 -4.906 -9.688 13.992 80 1HG LYS 8 HG2 LYS 8 -6.936 -8.181 15.619 81 2HG LYS 8 HG3 LYS 8 -7.133 -8.616 13.919 82 1HD LYS 8 HD2 LYS 8 -6.949 -10.981 14.493 83 2HD LYS 8 HD3 LYS 8 -6.718 -10.559 16.192 84 1HE LYS 8 HE2 LYS 8 -9.019 -11.243 15.761 85 2HE LYS 8 HE3 LYS 8 -8.937 -9.553 16.256 86 1HZ LYS 8 HZ2 LYS 8 -9.129 -8.904 13.934 87 2HZ LYS 8 HZ1 LYS 8 -9.214 -10.526 13.464 88 3HZ LYS 8 HZ3 LYS 8 -10.449 -9.851 14.402 89 H ASP 9 H ASP 9 -3.166 -10.208 14.061 90 HA ASP 9 HA ASP 9 -0.533 -9.291 14.994 91 1HB ASP 9 HB2 ASP 9 -0.920 -11.773 15.248 92 2HB ASP 9 HB3 ASP 9 -1.046 -11.859 13.494 93 H ASN 10 H ASN 10 0.052 -7.706 13.671 94 HA ASN 10 HA ASN 10 -0.211 -8.130 10.783 95 1HB ASN 10 HB2 ASN 10 -0.280 -5.404 11.064 96 2HB ASN 10 HB3 ASN 10 -1.678 -6.442 10.811 97 1HD2 ASN 10 1HD2 ASN 10 0.115 -4.529 13.059 98 2HD2 ASN 10 2HD2 ASN 10 -1.051 -4.547 14.334 99 H ASP 11 H ASP 11 1.093 -5.341 12.382 100 HA ASP 11 HA ASP 11 3.224 -4.738 10.993 101 1HB ASP 11 HB2 ASP 11 4.403 -4.269 13.302 102 2HB ASP 11 HB3 ASP 11 2.983 -3.357 12.802 103 H LYS 12 H LYS 12 4.553 -6.029 9.995 104 HA LYS 12 HA LYS 12 5.783 -8.278 11.387 105 1HB LYS 12 HB2 LYS 12 4.957 -8.895 9.257 106 2HB LYS 12 HB3 LYS 12 5.625 -7.459 8.493 107 1HG LYS 12 HG2 LYS 12 7.862 -8.302 8.785 108 2HG LYS 12 HG3 LYS 12 7.247 -9.718 9.639 109 1HD LYS 12 HD2 LYS 12 6.074 -10.445 7.642 110 2HD LYS 12 HD3 LYS 12 6.601 -8.997 6.781 111 1HE LYS 12 HE2 LYS 12 8.014 -10.822 6.134 112 2HE LYS 12 HE3 LYS 12 8.950 -9.710 7.134 113 1HZ LYS 12 HZ1 LYS 12 8.611 -11.179 9.022 114 2HZ LYS 12 HZ3 LYS 12 7.716 -12.247 8.061 115 3HZ LYS 12 HZ2 LYS 12 9.361 -12.005 7.751 116 H TRP 13 H TRP 13 7.395 -7.556 12.635 117 HA TRP 13 HA TRP 13 9.171 -5.455 11.794 118 1HB TRP 13 HB2 TRP 13 9.541 -7.112 14.264 119 2HB TRP 13 HB3 TRP 13 9.884 -5.407 14.003 120 HD1 TRP 13 HD1 TRP 13 6.840 -7.749 14.440 121 HE1 TRP 13 HE1 TRP 13 4.892 -6.384 15.413 122 HE3 TRP 13 HE3 TRP 13 9.026 -3.124 14.487 123 HZ2 TRP 13 HZ2 TRP 13 4.333 -3.700 16.102 124 HZ3 TRP 13 HZ3 TRP 13 7.721 -1.217 15.332 125 HH2 TRP 13 HH2 TRP 13 5.431 -1.501 16.127 126 H VAL 14 H VAL 14 10.571 -6.039 10.217 127 HA VAL 14 HA VAL 14 12.505 -8.136 10.895 128 HB VAL 14 HB VAL 14 12.373 -9.198 8.691 129 1HG1 VAL 14 3HG1 VAL 14 11.115 -10.149 10.571 130 2HG1 VAL 14 2HG1 VAL 14 9.709 -9.190 10.107 131 3HG1 VAL 14 1HG1 VAL 14 10.317 -10.447 9.027 132 1HG2 VAL 14 1HG2 VAL 14 11.429 -7.198 7.527 133 2HG2 VAL 14 3HG2 VAL 14 10.640 -8.721 7.122 134 3HG2 VAL 14 2HG2 VAL 14 9.864 -7.595 8.236 135 H ASP 15 H ASP 15 13.911 -8.296 8.597 136 HA ASP 15 HA ASP 15 14.863 -5.542 8.179 137 1HB ASP 15 HB2 ASP 15 17.077 -6.398 7.971 138 2HB ASP 15 HB3 ASP 15 16.375 -7.167 9.393 139 H THR 16 H THR 16 16.352 -5.615 6.010 140 HA THR 16 HA THR 16 15.474 -7.257 3.890 141 HB THR 16 HB THR 16 13.403 -5.825 4.373 142 HG1 THR 16 HG1 THR 16 14.176 -5.443 1.711 143 1HG2 THR 16 3HG2 THR 16 14.596 -3.684 4.616 144 2HG2 THR 16 2HG2 THR 16 15.045 -3.762 2.913 145 3HG2 THR 16 1HG2 THR 16 13.349 -3.619 3.370 146 H HIS 17 H HIS 17 15.748 -5.803 1.688 147 HA HIS 17 HA HIS 17 18.396 -4.537 1.935 148 1HB HIS 17 HB2 HIS 17 17.273 -6.467 -0.039 149 2HB HIS 17 HB3 HIS 17 18.429 -5.276 -0.623 150 HD1 HIS 17 HD1 HIS 17 18.185 -8.477 1.134 151 HD2 HIS 17 HD2 HIS 17 21.021 -5.474 0.671 152 HE1 HIS 17 HE1 HIS 17 20.367 -9.494 1.862 153 HE2 HIS 17 HE2 HIS 17 22.051 -7.632 1.659 154 H VAL 18 H VAL 18 18.531 -3.545 -0.703 155 HA VAL 18 HA VAL 18 16.692 -1.293 -0.438 156 HB VAL 18 HB VAL 18 19.020 -1.591 -2.337 157 1HG1 VAL 18 3HG1 VAL 18 17.429 0.824 -1.474 158 2HG1 VAL 18 2HG1 VAL 18 18.863 0.857 -2.500 159 3HG1 VAL 18 1HG1 VAL 18 17.395 0.061 -3.064 160 1HG2 VAL 18 2HG2 VAL 18 19.780 -1.716 -0.025 161 2HG2 VAL 18 1HG2 VAL 18 20.262 -0.187 -0.760 162 3HG2 VAL 18 3HG2 VAL 18 18.898 -0.237 0.356 163 H GLY 19 H GLY 19 15.165 -0.737 -1.852 164 1HA GLY 19 HA3 GLY 19 14.940 -1.422 -4.538 165 2HA GLY 19 HA2 GLY 19 13.610 -0.941 -3.506 166 H LYS 20 H LYS 20 14.461 -3.461 -1.836 167 HA LYS 20 HA LYS 20 13.855 -5.691 -3.449 168 1HB LYS 20 HB2 LYS 20 14.705 -5.348 -0.874 169 2HB LYS 20 HB3 LYS 20 13.052 -5.868 -0.621 170 1HG LYS 20 HG2 LYS 20 14.206 -7.855 -0.600 171 2HG LYS 20 HG3 LYS 20 13.646 -7.764 -2.274 172 1HD LYS 20 HD2 LYS 20 15.750 -7.129 -3.064 173 2HD LYS 20 HD3 LYS 20 16.291 -6.654 -1.458 174 1HE LYS 20 HE2 LYS 20 15.745 -9.474 -2.379 175 2HE LYS 20 HE3 LYS 20 17.340 -8.749 -2.180 176 1HZ LYS 20 HZ2 LYS 20 16.884 -8.484 0.179 177 2HZ LYS 20 HZ1 LYS 20 15.356 -9.182 -0.013 178 3HZ LYS 20 HZ3 LYS 20 16.748 -10.107 -0.278 179 H THR 21 H THR 21 12.084 -4.953 -4.695 180 HA THR 21 HA THR 21 9.689 -3.928 -3.873 181 HB THR 21 HB THR 21 9.821 -6.048 -6.007 182 HG1 THR 21 HG1 THR 21 11.532 -4.643 -6.429 183 1HG2 THR 21 2HG2 THR 21 7.612 -5.131 -5.445 184 2HG2 THR 21 1HG2 THR 21 8.215 -3.502 -5.745 185 3HG2 THR 21 3HG2 THR 21 8.113 -4.660 -7.070 186 H THR 22 H THR 22 8.796 -4.674 -2.021 187 HA THR 22 HA THR 22 8.273 -7.524 -1.719 188 HB THR 22 HB THR 22 7.775 -5.210 0.168 189 HG1 THR 22 HG1 THR 22 9.894 -5.574 0.302 190 1HG2 THR 22 2HG2 THR 22 6.139 -6.993 0.538 191 2HG2 THR 22 1HG2 THR 22 7.444 -8.177 0.635 192 3HG2 THR 22 3HG2 THR 22 7.301 -6.919 1.863 193 H GLU 23 H GLU 23 6.664 -8.102 -3.023 194 HA GLU 23 HA GLU 23 4.295 -6.523 -3.367 195 1HB GLU 23 HB2 GLU 23 5.285 -7.872 -5.183 196 2HB GLU 23 HB3 GLU 23 4.954 -9.333 -4.262 197 1HG GLU 23 HG2 GLU 23 2.609 -9.025 -4.460 198 2HG GLU 23 HG3 GLU 23 2.829 -7.405 -5.117 199 H ILE 24 H ILE 24 2.452 -6.695 -2.279 200 HA ILE 24 HA ILE 24 1.996 -9.088 -0.644 201 HB ILE 24 HB ILE 24 1.493 -6.272 0.280 202 1HG1 ILE 24 2HG1 ILE 24 3.628 -8.242 1.115 203 2HG1 ILE 24 3HG1 ILE 24 3.893 -6.766 0.193 204 1HG2 ILE 24 1HG2 ILE 24 -0.093 -7.913 1.156 205 2HG2 ILE 24 3HG2 ILE 24 1.249 -8.902 1.734 206 3HG2 ILE 24 2HG2 ILE 24 0.968 -7.305 2.429 207 1HD1 ILE 24 3HD1 ILE 24 3.138 -5.445 2.106 208 2HD1 ILE 24 2HD1 ILE 24 2.909 -6.930 3.031 209 3HD1 ILE 24 1HD1 ILE 24 4.525 -6.459 2.504 210 H HIS 25 H HIS 25 0.321 -9.965 -1.687 211 HA HIS 25 HA HIS 25 -1.872 -8.348 -2.657 212 1HB HIS 25 HB2 HIS 25 -1.895 -11.347 -2.517 213 2HB HIS 25 HB3 HIS 25 -2.679 -10.293 -3.680 214 HD1 HIS 25 HD1 HIS 25 0.001 -12.565 -3.507 215 HD2 HIS 25 HD2 HIS 25 -0.507 -8.834 -5.261 216 HE1 HIS 25 HE1 HIS 25 1.770 -12.415 -5.288 217 HE2 HIS 25 HE2 HIS 25 1.347 -10.209 -6.427 218 H LEU 26 H LEU 26 -2.939 -7.494 -0.932 219 HA LEU 26 HA LEU 26 -3.665 -9.211 1.313 220 1HB LEU 26 HB2 LEU 26 -4.175 -6.277 0.872 221 2HB LEU 26 HB3 LEU 26 -4.478 -7.153 2.358 222 HG LEU 26 HG LEU 26 -1.713 -6.957 1.188 223 1HD1 LEU 26 2HD1 LEU 26 -2.535 -4.681 1.465 224 2HD1 LEU 26 1HD1 LEU 26 -3.016 -5.046 3.122 225 3HD1 LEU 26 3HD1 LEU 26 -1.310 -5.060 2.676 226 1HD2 LEU 26 2HD2 LEU 26 -2.235 -8.653 2.949 227 2HD2 LEU 26 1HD2 LEU 26 -0.997 -7.482 3.405 228 3HD2 LEU 26 3HD2 LEU 26 -2.638 -7.319 4.033 229 H LYS 27 H LYS 27 -5.777 -9.656 1.894 230 HA LYS 27 HA LYS 27 -7.711 -9.340 -0.287 231 1HB LYS 27 HB2 LYS 27 -8.031 -11.146 2.097 232 2HB LYS 27 HB3 LYS 27 -8.856 -11.233 0.548 233 1HG LYS 27 HG2 LYS 27 -6.665 -11.771 -0.514 234 2HG LYS 27 HG3 LYS 27 -5.968 -11.862 1.105 235 1HD LYS 27 HD2 LYS 27 -8.293 -13.529 0.152 236 2HD LYS 27 HD3 LYS 27 -6.615 -14.074 0.182 237 1HE LYS 27 HE2 LYS 27 -6.552 -13.723 2.607 238 2HE LYS 27 HE3 LYS 27 -8.235 -13.199 2.571 239 1HZ LYS 27 HZ1 LYS 27 -8.861 -15.390 1.761 240 2HZ LYS 27 HZ3 LYS 27 -7.245 -15.892 1.799 241 3HZ LYS 27 HZ2 LYS 27 -8.047 -15.509 3.239 242 H GLY 28 H GLY 28 -9.998 -9.025 0.357 243 1HA GLY 28 HA3 GLY 28 -10.259 -6.651 1.853 244 2HA GLY 28 HA2 GLY 28 -10.773 -8.007 2.842 245 H ASN 29 H ASN 29 -12.193 -5.674 1.532 246 HA ASN 29 HA ASN 29 -13.875 -6.636 -0.511 247 1HB ASN 29 HB2 ASN 29 -14.648 -8.139 1.313 248 2HB ASN 29 HB3 ASN 29 -15.103 -6.722 2.253 249 1HD2 ASN 29 1HD2 ASN 29 -17.253 -7.325 2.322 250 2HD2 ASN 29 2HD2 ASN 29 -18.289 -7.218 0.943 251 HA PRO 30 HA PRO 30 -13.788 -2.060 -0.086 252 1HB PRO 30 HB2 PRO 30 -14.968 -2.437 -2.793 253 2HB PRO 30 HB3 PRO 30 -13.681 -1.348 -2.268 254 1HG PRO 30 HG2 PRO 30 -13.114 -3.550 -3.646 255 2HG PRO 30 HG3 PRO 30 -12.073 -3.025 -2.310 256 1HD PRO 30 HD2 PRO 30 -14.084 -5.225 -2.395 257 2HD PRO 30 HD3 PRO 30 -12.519 -5.160 -1.566 258 H THR 31 H THR 31 -16.367 -4.293 -0.629 259 HA THR 31 HA THR 31 -18.429 -2.256 -0.606 260 HB THR 31 HB THR 31 -20.017 -4.093 -0.756 261 HG1 THR 31 HG1 THR 31 -19.471 -6.021 -0.092 262 1HG2 THR 31 1HG2 THR 31 -17.643 -4.450 -2.587 263 2HG2 THR 31 3HG2 THR 31 -19.262 -5.085 -2.884 264 3HG2 THR 31 2HG2 THR 31 -18.995 -3.343 -2.828 265 H THR 32 H THR 32 -16.525 -3.060 1.754 266 HA THR 32 HA THR 32 -18.551 -3.659 3.776 267 HB THR 32 HB THR 32 -16.624 -3.815 5.348 268 HG1 THR 32 HG1 THR 32 -14.548 -4.053 3.948 269 1HG2 THR 32 3HG2 THR 32 -16.427 -5.513 2.859 270 2HG2 THR 32 2HG2 THR 32 -15.710 -5.905 4.421 271 3HG2 THR 32 1HG2 THR 32 -17.463 -5.820 4.252 272 H GLY 33 H GLY 33 -15.869 -1.329 3.393 273 1HA GLY 33 HA3 GLY 33 -17.117 0.452 5.320 274 2HA GLY 33 HA2 GLY 33 -17.090 1.038 3.664 275 H TYR 34 H TYR 34 -14.529 -0.946 4.974 276 HA TYR 34 HA TYR 34 -12.836 1.411 5.348 277 1HB TYR 34 HB2 TYR 34 -12.400 -1.486 6.091 278 2HB TYR 34 HB3 TYR 34 -11.227 -0.204 6.369 279 HD1 TYR 34 HD1 TYR 34 -14.714 -1.215 7.182 280 HD2 TYR 34 HD2 TYR 34 -11.292 1.034 8.363 281 HE1 TYR 34 HE1 TYR 34 -15.780 -0.737 9.345 282 HE2 TYR 34 HE2 TYR 34 -12.356 1.513 10.527 283 HH TYR 34 HH TYR 34 -15.116 -0.119 11.628 284 H MET 35 H MET 35 -10.376 0.654 4.826 285 HA MET 35 HA MET 35 -10.181 -0.578 2.214 286 1HB MET 35 HB2 MET 35 -10.414 1.540 1.341 287 2HB MET 35 HB3 MET 35 -9.813 2.317 2.801 288 1HG MET 35 HG2 MET 35 -7.540 1.547 2.222 289 2HG MET 35 HG3 MET 35 -8.185 0.902 0.731 290 1HE MET 35 HE2 MET 35 -10.345 3.078 -0.065 291 2HE MET 35 HE1 MET 35 -9.412 4.160 -1.098 292 3HE MET 35 HE3 MET 35 -9.212 2.414 -1.240 293 H TRP 36 H TRP 36 -8.047 -1.193 1.709 294 HA TRP 36 HA TRP 36 -6.242 -1.192 4.025 295 1HB TRP 36 HB2 TRP 36 -6.910 -3.180 1.978 296 2HB TRP 36 HB3 TRP 36 -5.191 -3.006 2.279 297 HD1 TRP 36 HD1 TRP 36 -7.954 -5.023 3.396 298 HE1 TRP 36 HE1 TRP 36 -7.555 -5.995 5.749 299 HE3 TRP 36 HE3 TRP 36 -4.059 -2.053 4.849 300 HZ2 TRP 36 HZ2 TRP 36 -5.821 -5.555 7.927 301 HZ3 TRP 36 HZ3 TRP 36 -3.090 -2.392 7.080 302 HH2 TRP 36 HH2 TRP 36 -3.958 -4.106 8.585 303 H THR 37 H THR 37 -5.353 0.845 3.624 304 HA THR 37 HA THR 37 -3.492 0.890 1.341 305 HB THR 37 HB THR 37 -5.444 2.345 0.845 306 HG1 THR 37 HG1 THR 37 -4.164 4.010 0.128 307 1HG2 THR 37 1HG2 THR 37 -4.480 3.880 3.264 308 2HG2 THR 37 3HG2 THR 37 -5.708 4.433 2.124 309 3HG2 THR 37 2HG2 THR 37 -6.008 3.009 3.121 310 H ARG 38 H ARG 38 -2.192 3.318 1.945 311 HA ARG 38 HA ARG 38 -0.784 2.499 4.349 312 1HB ARG 38 HB2 ARG 38 -0.138 4.180 2.007 313 2HB ARG 38 HB3 ARG 38 0.597 4.661 3.520 314 1HG ARG 38 HG2 ARG 38 1.690 2.592 3.761 315 2HG ARG 38 HG3 ARG 38 0.792 1.894 2.411 316 1HD ARG 38 HD2 ARG 38 3.129 2.586 1.885 317 2HD ARG 38 HD3 ARG 38 1.919 3.271 0.843 318 HE ARG 38 HE ARG 38 2.307 5.371 1.838 319 1HH1 ARG 38 1HH1 ARG 38 4.338 2.855 3.136 320 2HH1 ARG 38 2HH1 ARG 38 5.523 3.952 3.762 321 1HH2 ARG 38 1HH2 ARG 38 3.883 6.825 2.644 322 2HH2 ARG 38 2HH2 ARG 38 5.263 6.205 3.486 323 H VAL 39 H VAL 39 -0.332 3.878 6.103 324 HA VAL 39 HA VAL 39 -2.544 5.443 6.948 325 HB VAL 39 HB VAL 39 0.196 5.378 8.211 326 1HG1 VAL 39 3HG1 VAL 39 -2.541 5.923 9.354 327 2HG1 VAL 39 2HG1 VAL 39 -1.041 5.845 10.278 328 3HG1 VAL 39 1HG1 VAL 39 -1.270 7.113 9.073 329 1HG2 VAL 39 2HG2 VAL 39 -0.852 3.101 7.746 330 2HG2 VAL 39 1HG2 VAL 39 -0.376 3.446 9.410 331 3HG2 VAL 39 3HG2 VAL 39 -2.073 3.551 8.936 332 H GLY 40 H GLY 40 -2.904 7.580 6.862 333 1HA GLY 40 HA3 GLY 40 -0.742 9.472 6.551 334 2HA GLY 40 HA2 GLY 40 -2.451 9.852 6.694 335 H PHE 41 H PHE 41 -2.465 7.599 4.405 336 HA PHE 41 HA PHE 41 -2.229 9.582 2.245 337 1HB PHE 41 HB2 PHE 41 -1.379 6.686 2.064 338 2HB PHE 41 HB3 PHE 41 -1.261 7.891 0.786 339 HD1 PHE 41 HD1 PHE 41 0.311 6.420 3.623 340 HD2 PHE 41 HD2 PHE 41 0.243 9.894 1.176 341 HE1 PHE 41 HE1 PHE 41 2.537 7.051 4.466 342 HE2 PHE 41 HE2 PHE 41 2.470 10.533 2.007 343 HZ PHE 41 HZ PHE 41 3.619 9.110 3.657 344 H VAL 42 H VAL 42 -4.180 7.619 3.939 345 HA VAL 42 HA VAL 42 -5.742 6.227 2.126 346 HB VAL 42 HB VAL 42 -6.851 7.666 4.532 347 1HG1 VAL 42 2HG1 VAL 42 -8.429 6.547 2.970 348 2HG1 VAL 42 1HG1 VAL 42 -7.610 5.023 3.310 349 3HG1 VAL 42 3HG1 VAL 42 -8.445 5.884 4.603 350 1HG2 VAL 42 2HG2 VAL 42 -4.673 6.356 4.910 351 2HG2 VAL 42 1HG2 VAL 42 -6.048 6.014 5.958 352 3HG2 VAL 42 3HG2 VAL 42 -5.660 4.923 4.631 353 H GLY 43 H GLY 43 -6.395 7.126 0.255 354 1HA GLY 43 HA3 GLY 43 -8.082 9.539 0.449 355 2HA GLY 43 HA2 GLY 43 -8.261 8.285 -0.769 356 H LYS 44 H LYS 44 -5.137 9.507 0.177 357 HA LYS 44 HA LYS 44 -4.864 11.545 -1.736 358 1HB LYS 44 HB2 LYS 44 -2.776 9.823 -0.393 359 2HB LYS 44 HB3 LYS 44 -2.428 11.270 -1.318 360 1HG LYS 44 HG2 LYS 44 -3.837 12.557 0.285 361 2HG LYS 44 HG3 LYS 44 -3.976 11.087 1.253 362 1HD LYS 44 HD2 LYS 44 -2.217 12.208 2.269 363 2HD LYS 44 HD3 LYS 44 -1.393 11.079 1.191 364 1HE LYS 44 HE2 LYS 44 -1.988 13.958 0.523 365 2HE LYS 44 HE3 LYS 44 -0.448 13.378 1.155 366 1HZ LYS 44 HZ1 LYS 44 -0.305 11.910 -0.812 367 2HZ LYS 44 HZ3 LYS 44 -1.697 12.645 -1.434 368 3HZ LYS 44 HZ2 LYS 44 -0.291 13.555 -1.204 369 H ASP 45 H ASP 45 -3.067 11.401 -3.466 370 HA ASP 45 HA ASP 45 -3.899 9.481 -5.401 371 1HB ASP 45 HB2 ASP 45 -3.107 11.796 -5.948 372 2HB ASP 45 HB3 ASP 45 -1.481 11.294 -5.512 373 H VAL 46 H VAL 46 -0.779 10.064 -3.809 374 HA VAL 46 HA VAL 46 -0.093 7.244 -4.314 375 HB VAL 46 HB VAL 46 1.691 9.671 -4.238 376 1HG1 VAL 46 2HG1 VAL 46 2.483 6.759 -4.257 377 2HG1 VAL 46 1HG1 VAL 46 3.578 8.107 -4.564 378 3HG1 VAL 46 3HG1 VAL 46 2.813 7.934 -2.984 379 1HG2 VAL 46 3HG2 VAL 46 0.533 9.179 -6.345 380 2HG2 VAL 46 2HG2 VAL 46 2.283 8.973 -6.484 381 3HG2 VAL 46 1HG2 VAL 46 1.237 7.559 -6.334 382 H LEU 47 H LEU 47 0.754 6.042 -2.716 383 HA LEU 47 HA LEU 47 0.370 7.020 -0.015 384 1HB LEU 47 HB2 LEU 47 1.367 4.298 -0.726 385 2HB LEU 47 HB3 LEU 47 0.418 4.790 0.656 386 HG LEU 47 HG LEU 47 -0.580 4.572 -2.187 387 1HD1 LEU 47 2HD1 LEU 47 -0.171 2.410 -1.110 388 2HD1 LEU 47 1HD1 LEU 47 -1.186 2.898 0.247 389 3HD1 LEU 47 3HD1 LEU 47 -1.895 2.703 -1.357 390 1HD2 LEU 47 1HD2 LEU 47 -2.031 5.315 0.351 391 2HD2 LEU 47 3HD2 LEU 47 -1.713 6.371 -1.025 392 3HD2 LEU 47 2HD2 LEU 47 -2.797 4.990 -1.205 393 H SER 48 H SER 48 2.927 5.614 -1.991 394 HA SER 48 HA SER 48 5.035 5.693 -0.185 395 1HB SER 48 HB2 SER 48 5.164 4.553 -2.350 396 2HB SER 48 HB3 SER 48 5.099 6.103 -3.185 397 HG SER 48 HG SER 48 7.082 5.853 -1.275 398 H ASP 49 H ASP 49 7.082 7.172 -0.810 399 HA ASP 49 HA ASP 49 6.473 9.898 -1.426 400 1HB ASP 49 HB2 ASP 49 6.371 9.040 1.349 401 2HB ASP 49 HB3 ASP 49 7.581 10.297 1.098 402 H GLU 50 H GLU 50 8.880 8.973 0.957 403 HA GLU 50 HA GLU 50 10.972 9.182 -1.100 404 1HB GLU 50 HB2 GLU 50 12.332 10.482 0.453 405 2HB GLU 50 HB3 GLU 50 10.797 11.285 0.151 406 1HG GLU 50 HG2 GLU 50 9.932 10.474 2.273 407 2HG GLU 50 HG3 GLU 50 11.451 9.635 2.582 408 H ILE 51 H ILE 51 10.010 7.977 2.057 409 HA ILE 51 HA ILE 51 12.338 6.534 2.689 410 HB ILE 51 HB ILE 51 9.524 5.810 3.494 411 1HG1 ILE 51 2HG1 ILE 51 9.998 8.218 3.857 412 2HG1 ILE 51 3HG1 ILE 51 9.769 7.333 5.357 413 1HG2 ILE 51 3HG2 ILE 51 12.191 5.358 4.823 414 2HG2 ILE 51 2HG2 ILE 51 10.622 4.959 5.525 415 3HG2 ILE 51 1HG2 ILE 51 11.172 4.134 4.067 416 1HD1 ILE 51 3HD1 ILE 51 12.436 8.081 4.185 417 2HD1 ILE 51 2HD1 ILE 51 11.608 8.952 5.476 418 3HD1 ILE 51 1HD1 ILE 51 12.153 7.295 5.739 419 H LEU 52 H LEU 52 9.250 4.953 1.982 420 HA LEU 52 HA LEU 52 10.738 2.924 0.441 421 1HB LEU 52 HB2 LEU 52 8.055 2.626 1.792 422 2HB LEU 52 HB3 LEU 52 8.966 1.360 0.995 423 HG LEU 52 HG LEU 52 9.772 2.779 3.531 424 1HD1 LEU 52 1HD1 LEU 52 7.874 1.274 3.827 425 2HD1 LEU 52 3HD1 LEU 52 8.783 -0.028 3.060 426 3HD1 LEU 52 2HD1 LEU 52 9.324 0.635 4.602 427 1HD2 LEU 52 1HD2 LEU 52 11.083 0.530 2.014 428 2HD2 LEU 52 3HD2 LEU 52 11.734 2.149 2.278 429 3HD2 LEU 52 2HD2 LEU 52 11.531 1.045 3.639 430 H GLU 53 H GLU 53 10.356 2.814 -1.688 431 HA GLU 53 HA GLU 53 8.387 4.395 -2.973 432 1HB GLU 53 HB2 GLU 53 10.524 2.568 -3.751 433 2HB GLU 53 HB3 GLU 53 9.116 2.429 -4.794 434 1HG GLU 53 HG2 GLU 53 9.965 5.167 -4.205 435 2HG GLU 53 HG3 GLU 53 11.113 4.206 -5.131 436 H VAL 54 H VAL 54 6.591 3.591 -1.599 437 HA VAL 54 HA VAL 54 5.660 0.917 -1.955 438 HB VAL 54 HB VAL 54 3.947 3.153 -0.932 439 1HG1 VAL 54 1HG1 VAL 54 2.938 0.956 -1.290 440 2HG1 VAL 54 3HG1 VAL 54 4.153 0.227 -0.240 441 3HG1 VAL 54 2HG1 VAL 54 2.988 1.371 0.424 442 1HG2 VAL 54 3HG2 VAL 54 6.272 1.835 0.425 443 2HG2 VAL 54 2HG2 VAL 54 5.856 3.546 0.342 444 3HG2 VAL 54 1HG2 VAL 54 4.906 2.456 1.351 445 H VAL 55 H VAL 55 5.465 0.730 -4.225 446 HA VAL 55 HA VAL 55 3.486 2.346 -5.577 447 HB VAL 55 HB VAL 55 4.872 -0.130 -6.591 448 1HG1 VAL 55 1HG1 VAL 55 2.779 0.605 -7.739 449 2HG1 VAL 55 3HG1 VAL 55 3.589 2.124 -8.122 450 3HG1 VAL 55 2HG1 VAL 55 4.211 0.607 -8.772 451 1HG2 VAL 55 1HG2 VAL 55 6.528 1.550 -5.970 452 2HG2 VAL 55 3HG2 VAL 55 6.431 1.393 -7.724 453 3HG2 VAL 55 2HG2 VAL 55 5.667 2.763 -6.917 454 H CYS 56 H CYS 56 1.693 1.867 -4.331 455 HA CYS 56 HA CYS 56 0.720 -0.891 -4.346 456 1HB CYS 56 HB2 CYS 56 0.702 0.112 -2.164 457 2HB CYS 56 HB3 CYS 56 -0.142 1.534 -2.770 458 HG CYS 56 HG CYS 56 -2.102 0.328 -1.395 459 H LYS 57 H LYS 57 -1.312 -1.436 -5.092 460 HA LYS 57 HA LYS 57 -2.788 0.589 -6.597 461 1HB LYS 57 HB2 LYS 57 -2.354 -2.129 -7.779 462 2HB LYS 57 HB3 LYS 57 -2.862 -0.649 -8.576 463 1HG LYS 57 HG2 LYS 57 -0.614 0.275 -8.292 464 2HG LYS 57 HG3 LYS 57 -0.104 -1.222 -7.511 465 1HD LYS 57 HD2 LYS 57 0.607 -1.350 -9.773 466 2HD LYS 57 HD3 LYS 57 -0.783 -2.425 -9.615 467 1HE LYS 57 HE2 LYS 57 -2.228 -0.669 -10.541 468 2HE LYS 57 HE3 LYS 57 -0.822 0.379 -10.724 469 1HZ LYS 57 HZ3 LYS 57 -1.204 -2.237 -12.076 470 2HZ LYS 57 HZ2 LYS 57 -1.390 -0.720 -12.800 471 3HZ LYS 57 HZ1 LYS 57 0.133 -1.217 -12.258 472 H TYR 58 H TYR 58 -4.696 0.605 -5.675 473 HA TYR 58 HA TYR 58 -5.800 -1.674 -4.324 474 1HB TYR 58 HB2 TYR 58 -6.125 0.756 -3.643 475 2HB TYR 58 HB3 TYR 58 -7.210 0.913 -5.020 476 HD1 TYR 58 HD1 TYR 58 -8.806 -1.506 -4.948 477 HD2 TYR 58 HD2 TYR 58 -7.367 0.876 -1.708 478 HE1 TYR 58 HE1 TYR 58 -10.680 -2.287 -3.569 479 HE2 TYR 58 HE2 TYR 58 -9.260 0.111 -0.329 480 HH TYR 58 HH TYR 58 -11.513 -0.803 -0.620 481 H THR 59 H THR 59 -6.374 -3.326 -5.619 482 HA THR 59 HA THR 59 -7.815 -2.754 -8.108 483 HB THR 59 HB THR 59 -6.713 -5.408 -7.177 484 HG1 THR 59 HG1 THR 59 -5.216 -3.476 -7.663 485 1HG2 THR 59 2HG2 THR 59 -7.590 -4.427 -9.898 486 2HG2 THR 59 1HG2 THR 59 -6.886 -6.007 -9.554 487 3HG2 THR 59 3HG2 THR 59 -8.458 -5.576 -8.879 488 HA PRO 60 HA PRO 60 -11.412 -4.414 -5.967 489 1HB PRO 60 HB2 PRO 60 -13.158 -2.642 -6.916 490 2HB PRO 60 HB3 PRO 60 -11.953 -2.158 -5.722 491 1HG PRO 60 HG2 PRO 60 -12.095 -1.538 -8.608 492 2HG PRO 60 HG3 PRO 60 -11.293 -0.649 -7.305 493 1HD PRO 60 HD2 PRO 60 -10.148 -2.529 -9.162 494 2HD PRO 60 HD3 PRO 60 -9.332 -1.567 -7.913 495 H THR 61 H THR 61 -11.483 -6.392 -7.125 496 HA THR 61 HA THR 61 -12.232 -6.493 -9.886 497 HB THR 61 HB THR 61 -12.592 -8.949 -8.299 498 HG1 THR 61 HG1 THR 61 -10.180 -7.470 -8.286 499 1HG2 THR 61 3HG2 THR 61 -10.968 -8.230 -10.740 500 2HG2 THR 61 2HG2 THR 61 -11.136 -9.858 -10.083 501 3HG2 THR 61 1HG2 THR 61 -12.547 -9.014 -10.719 502 HA PRO 62 HA PRO 62 -16.638 -6.304 -9.468 503 1HB PRO 62 HB2 PRO 62 -16.764 -8.074 -11.825 504 2HB PRO 62 HB3 PRO 62 -17.375 -6.431 -11.621 505 1HG PRO 62 HG2 PRO 62 -15.230 -6.945 -13.143 506 2HG PRO 62 HG3 PRO 62 -15.347 -5.466 -12.170 507 1HD PRO 62 HD2 PRO 62 -13.815 -7.980 -11.618 508 2HD PRO 62 HD3 PRO 62 -13.336 -6.288 -11.368 509 H SER 63 H SER 63 -18.569 -7.920 -9.758 510 HA SER 63 HA SER 63 -17.924 -10.639 -8.972 511 1HB SER 63 HB2 SER 63 -17.919 -9.533 -6.815 512 2HB SER 63 HB3 SER 63 -19.465 -8.761 -7.165 513 HG SER 63 HG SER 63 -19.155 -11.571 -7.132 514 H SER 64 H SER 64 -19.936 -11.981 -8.763 515 HA SER 64 HA SER 64 -21.518 -11.778 -11.040 516 1HB SER 64 HB2 SER 64 -22.946 -13.503 -9.999 517 2HB SER 64 HB3 SER 64 -21.233 -13.878 -9.809 518 HG SER 64 HG SER 64 -22.272 -12.377 -7.764 519 H THR 65 H THR 65 -21.889 -10.335 -7.915 520 HA THR 65 HA THR 65 -24.627 -9.734 -7.950 521 HB THR 65 HB THR 65 -24.053 -7.918 -6.351 522 HG1 THR 65 HG1 THR 65 -21.393 -8.643 -6.222 523 1HG2 THR 65 3HG2 THR 65 -24.336 -10.213 -5.546 524 2HG2 THR 65 2HG2 THR 65 -22.628 -10.534 -5.846 525 3HG2 THR 65 1HG2 THR 65 -23.100 -9.363 -4.615 526 HA PRO 66 HA PRO 66 -25.115 -6.459 -10.874 527 1HB PRO 66 HB2 PRO 66 -26.693 -4.667 -9.562 528 2HB PRO 66 HB3 PRO 66 -27.293 -6.206 -10.185 529 1HG PRO 66 HG2 PRO 66 -26.422 -5.496 -7.409 530 2HG PRO 66 HG3 PRO 66 -27.868 -6.384 -7.929 531 1HD PRO 66 HD2 PRO 66 -25.702 -7.663 -7.000 532 2HD PRO 66 HD3 PRO 66 -26.678 -8.339 -8.320 533 H MET 67 H MET 67 -25.514 -3.688 -10.234 534 HA MET 67 HA MET 67 -22.930 -2.711 -10.364 535 1HB MET 67 HB2 MET 67 -25.394 -1.281 -9.357 536 2HB MET 67 HB3 MET 67 -23.904 -0.501 -9.868 537 1HG MET 67 HG2 MET 67 -24.217 -1.383 -12.125 538 2HG MET 67 HG3 MET 67 -25.715 -2.156 -11.611 539 1HE MET 67 HE3 MET 67 -26.928 0.042 -9.651 540 2HE MET 67 HE2 MET 67 -27.965 0.941 -10.760 541 3HE MET 67 HE1 MET 67 -27.888 -0.819 -10.853 542 H VAL 68 H VAL 68 -24.595 -3.873 -7.649 543 HA VAL 68 HA VAL 68 -22.795 -2.475 -5.795 544 HB VAL 68 HB VAL 68 -25.260 -4.104 -5.160 545 1HG1 VAL 68 2HG1 VAL 68 -23.539 -2.349 -3.412 546 2HG1 VAL 68 1HG1 VAL 68 -25.051 -3.112 -2.922 547 3HG1 VAL 68 3HG1 VAL 68 -23.656 -4.108 -3.338 548 1HG2 VAL 68 3HG2 VAL 68 -25.835 -2.072 -6.368 549 2HG2 VAL 68 2HG2 VAL 68 -26.323 -1.948 -4.678 550 3HG2 VAL 68 1HG2 VAL 68 -24.875 -1.114 -5.240 551 H GLY 69 H GLY 69 -20.917 -3.614 -5.789 552 1HA GLY 69 HA3 GLY 69 -21.059 -6.533 -5.484 553 2HA GLY 69 HA2 GLY 69 -20.207 -5.594 -4.271 554 H VAL 70 H VAL 70 -18.117 -5.138 -4.594 555 HA VAL 70 HA VAL 70 -16.863 -6.144 -7.000 556 HB VAL 70 HB VAL 70 -17.315 -3.895 -7.693 557 1HG1 VAL 70 2HG1 VAL 70 -17.660 -2.925 -5.459 558 2HG1 VAL 70 1HG1 VAL 70 -15.916 -2.939 -5.204 559 3HG1 VAL 70 3HG1 VAL 70 -16.613 -1.934 -6.474 560 1HG2 VAL 70 2HG2 VAL 70 -14.428 -4.175 -6.870 561 2HG2 VAL 70 1HG2 VAL 70 -15.159 -4.790 -8.352 562 3HG2 VAL 70 3HG2 VAL 70 -15.043 -3.051 -8.081 563 H GLY 71 H GLY 71 -15.959 -7.664 -5.574 564 1HA GLY 71 HA3 GLY 71 -14.683 -8.327 -3.694 565 2HA GLY 71 HA2 GLY 71 -14.188 -6.657 -3.471 566 H GLY 72 H GLY 72 -12.042 -6.658 -3.570 567 1HA GLY 72 HA3 GLY 72 -10.412 -6.562 -5.601 568 2HA GLY 72 HA2 GLY 72 -10.691 -8.297 -5.596 569 H ILE 73 H ILE 73 -8.329 -6.385 -4.947 570 HA ILE 73 HA ILE 73 -7.743 -7.203 -2.225 571 HB ILE 73 HB ILE 73 -5.534 -8.091 -2.835 572 1HG1 ILE 73 2HG1 ILE 73 -6.426 -8.520 -5.641 573 2HG1 ILE 73 3HG1 ILE 73 -5.715 -6.969 -5.198 574 1HG2 ILE 73 3HG2 ILE 73 -7.457 -9.561 -2.371 575 2HG2 ILE 73 2HG2 ILE 73 -7.739 -9.671 -4.109 576 3HG2 ILE 73 1HG2 ILE 73 -6.235 -10.286 -3.417 577 1HD1 ILE 73 3HD1 ILE 73 -3.740 -8.172 -4.328 578 2HD1 ILE 73 2HD1 ILE 73 -4.446 -9.681 -4.909 579 3HD1 ILE 73 1HD1 ILE 73 -4.003 -8.416 -6.057 580 H TYR 74 H TYR 74 -5.077 -6.610 -2.158 581 HA TYR 74 HA TYR 74 -4.842 -3.864 -3.151 582 1HB TYR 74 HB2 TYR 74 -3.980 -4.535 -0.355 583 2HB TYR 74 HB3 TYR 74 -4.387 -2.965 -1.045 584 HD1 TYR 74 HD1 TYR 74 -5.784 -6.108 0.293 585 HD2 TYR 74 HD2 TYR 74 -6.658 -2.176 -1.074 586 HE1 TYR 74 HE1 TYR 74 -8.052 -6.306 1.201 587 HE2 TYR 74 HE2 TYR 74 -8.933 -2.373 -0.158 588 HH TYR 74 HH TYR 74 -9.867 -4.839 1.963 589 H VAL 75 H VAL 75 -3.205 -4.231 -4.569 590 HA VAL 75 HA VAL 75 -0.967 -5.933 -3.861 591 HB VAL 75 HB VAL 75 -1.529 -4.327 -6.358 592 1HG1 VAL 75 2HG1 VAL 75 0.715 -6.258 -5.774 593 2HG1 VAL 75 1HG1 VAL 75 0.340 -5.585 -7.361 594 3HG1 VAL 75 3HG1 VAL 75 0.867 -4.523 -6.055 595 1HG2 VAL 75 3HG2 VAL 75 -3.027 -6.228 -6.016 596 2HG2 VAL 75 2HG2 VAL 75 -1.945 -6.502 -7.380 597 3HG2 VAL 75 1HG2 VAL 75 -1.634 -7.295 -5.836 598 H VAL 76 H VAL 76 0.376 -5.047 -2.419 599 HA VAL 76 HA VAL 76 1.213 -2.255 -2.813 600 HB VAL 76 HB VAL 76 1.628 -3.972 -0.366 601 1HG1 VAL 76 2HG1 VAL 76 1.960 -1.019 -0.869 602 2HG1 VAL 76 1HG1 VAL 76 2.024 -1.775 0.723 603 3HG1 VAL 76 3HG1 VAL 76 3.228 -2.187 -0.498 604 1HG2 VAL 76 3HG2 VAL 76 -0.763 -3.612 -0.818 605 2HG2 VAL 76 2HG2 VAL 76 -0.227 -2.778 0.641 606 3HG2 VAL 76 1HG2 VAL 76 -0.482 -1.872 -0.850 607 H LEU 77 H LEU 77 3.110 -1.916 -3.758 608 HA LEU 77 HA LEU 77 5.219 -3.956 -3.500 609 1HB LEU 77 HB2 LEU 77 4.774 -1.835 -5.600 610 2HB LEU 77 HB3 LEU 77 6.240 -2.790 -5.491 611 HG LEU 77 HG LEU 77 3.451 -3.848 -6.017 612 1HD1 LEU 77 3HD1 LEU 77 4.391 -2.650 -7.916 613 2HD1 LEU 77 2HD1 LEU 77 5.861 -3.619 -7.814 614 3HD1 LEU 77 1HD1 LEU 77 4.328 -4.383 -8.234 615 1HD2 LEU 77 1HD2 LEU 77 5.161 -5.286 -4.692 616 2HD2 LEU 77 3HD2 LEU 77 4.292 -5.995 -6.054 617 3HD2 LEU 77 2HD2 LEU 77 5.957 -5.455 -6.259 618 H VAL 78 H VAL 78 6.322 -3.363 -1.701 619 HA VAL 78 HA VAL 78 6.992 -0.537 -1.360 620 HB VAL 78 HB VAL 78 8.054 -2.162 0.737 621 1HG1 VAL 78 1HG1 VAL 78 5.784 -0.161 0.656 622 2HG1 VAL 78 3HG1 VAL 78 6.569 -0.756 2.120 623 3HG1 VAL 78 2HG1 VAL 78 7.488 0.197 0.956 624 1HG2 VAL 78 1HG2 VAL 78 6.385 -3.817 0.057 625 2HG2 VAL 78 3HG2 VAL 78 6.015 -3.127 1.637 626 3HG2 VAL 78 2HG2 VAL 78 5.121 -2.598 0.212 627 H LYS 79 H LYS 79 8.701 0.015 -2.540 628 HA LYS 79 HA LYS 79 11.035 -1.760 -2.607 629 1HB LYS 79 HB2 LYS 79 9.982 0.357 -4.419 630 2HB LYS 79 HB3 LYS 79 11.719 0.085 -4.384 631 1HG LYS 79 HG2 LYS 79 11.342 -2.283 -4.912 632 2HG LYS 79 HG3 LYS 79 9.598 -1.966 -5.019 633 1HD LYS 79 HD2 LYS 79 11.714 -0.623 -6.710 634 2HD LYS 79 HD3 LYS 79 10.734 -1.998 -7.226 635 1HE LYS 79 HE2 LYS 79 8.704 -0.662 -6.925 636 2HE LYS 79 HE3 LYS 79 9.685 0.712 -6.414 637 1HZ LYS 79 HZ2 LYS 79 10.729 0.729 -8.595 638 2HZ LYS 79 HZ1 LYS 79 9.786 -0.587 -9.084 639 3HZ LYS 79 HZ3 LYS 79 9.052 0.897 -8.733 640 HA PRO 80 HA PRO 80 12.560 0.943 0.724 641 1HB PRO 80 HB2 PRO 80 14.947 -0.709 0.028 642 2HB PRO 80 HB3 PRO 80 14.291 -0.288 1.615 643 1HG PRO 80 HG2 PRO 80 13.892 -2.707 0.566 644 2HG PRO 80 HG3 PRO 80 12.625 -1.891 1.497 645 1HD PRO 80 HD2 PRO 80 12.836 -2.330 -1.434 646 2HD PRO 80 HD3 PRO 80 11.395 -2.203 -0.407 647 H ARG 81 H ARG 81 12.641 2.912 -0.361 648 HA ARG 81 HA ARG 81 14.549 3.457 -2.418 649 1HB ARG 81 HB2 ARG 81 12.361 4.828 -1.136 650 2HB ARG 81 HB3 ARG 81 13.759 5.887 -1.252 651 1HG ARG 81 HG2 ARG 81 13.881 5.468 -3.653 652 2HG ARG 81 HG3 ARG 81 12.477 4.404 -3.532 653 1HD ARG 81 HD2 ARG 81 11.094 6.233 -2.805 654 2HD ARG 81 HD3 ARG 81 12.485 7.317 -2.762 655 HE ARG 81 HE ARG 81 12.337 6.338 -5.343 656 1HH1 ARG 81 1HH1 ARG 81 10.335 8.223 -3.203 657 2HH1 ARG 81 2HH1 ARG 81 9.578 9.110 -4.483 658 1HH2 ARG 81 1HH2 ARG 81 11.346 7.500 -7.034 659 2HH2 ARG 81 2HH2 ARG 81 10.152 8.699 -6.660 660 H LYS 82 H LYS 82 14.388 3.903 1.056 661 HA LYS 82 HA LYS 82 17.130 4.968 1.039 662 1HB LYS 82 HB2 LYS 82 14.980 5.229 3.150 663 2HB LYS 82 HB3 LYS 82 16.601 5.890 3.265 664 1HG LYS 82 HG2 LYS 82 16.122 7.275 1.261 665 2HG LYS 82 HG3 LYS 82 14.459 6.684 1.310 666 1HD LYS 82 HD2 LYS 82 14.189 7.619 3.551 667 2HD LYS 82 HD3 LYS 82 15.853 8.205 3.511 668 1HE LYS 82 HE2 LYS 82 13.635 9.039 1.645 669 2HE LYS 82 HE3 LYS 82 14.267 9.989 2.990 670 1HZ LYS 82 HZ3 LYS 82 16.418 10.048 1.888 671 2HZ LYS 82 HZ2 LYS 82 15.808 9.143 0.595 672 3HZ LYS 82 HZ1 LYS 82 15.216 10.700 0.890 673 H ARG 83 H ARG 83 18.312 4.403 3.166 674 HA ARG 83 HA ARG 83 17.837 1.559 3.781 675 1HB ARG 83 HB2 ARG 83 20.495 2.995 3.748 676 2HB ARG 83 HB3 ARG 83 20.232 1.276 4.007 677 1HG ARG 83 HG2 ARG 83 19.565 0.944 1.762 678 2HG ARG 83 HG3 ARG 83 19.454 2.681 1.468 679 1HD ARG 83 HD2 ARG 83 21.862 2.895 1.767 680 2HD ARG 83 HD3 ARG 83 21.985 1.167 2.094 681 HE ARG 83 HE ARG 83 20.755 1.544 -0.402 682 1HH1 ARG 83 1HH1 ARG 83 23.855 1.920 1.146 683 2HH1 ARG 83 2HH1 ARG 83 24.756 1.677 -0.314 684 1HH2 ARG 83 1HH2 ARG 83 21.934 1.223 -2.328 685 2HH2 ARG 83 2HH2 ARG 83 23.665 1.282 -2.287 686 H GLY 84 H GLY 84 17.319 1.165 5.833 687 1HA GLY 84 HA3 GLY 84 17.920 3.225 7.845 688 2HA GLY 84 HA2 GLY 84 18.418 1.568 8.147 689 H HIS 85 H HIS 85 16.552 3.275 9.636 690 HA HIS 85 HA HIS 85 14.554 1.343 10.152 691 1HB HIS 85 HB2 HIS 85 14.670 4.249 10.988 692 2HB HIS 85 HB3 HIS 85 13.600 3.030 11.674 693 HD1 HIS 85 HD1 HIS 85 16.984 4.417 11.948 694 HD2 HIS 85 HD2 HIS 85 14.980 0.994 13.188 695 HE1 HIS 85 HE1 HIS 85 18.436 3.396 13.730 696 HE2 HIS 85 HE2 HIS 85 17.247 1.279 14.401 697 H HIS 86 H HIS 86 13.240 0.883 8.463 698 HA HIS 86 HA HIS 86 11.462 3.042 7.559 699 1HB HIS 86 HB2 HIS 86 12.617 0.893 5.766 700 2HB HIS 86 HB3 HIS 86 11.520 2.185 5.280 701 HD1 HIS 86 HD1 HIS 86 12.994 4.504 6.795 702 HD2 HIS 86 HD2 HIS 86 14.812 1.713 4.312 703 HE1 HIS 86 HE1 HIS 86 15.130 5.582 6.022 704 HE2 HIS 86 HE2 HIS 86 16.262 3.834 4.607 705 H THR 87 H THR 87 9.358 2.294 6.808 706 HA THR 87 HA THR 87 8.625 -0.455 7.284 707 HB THR 87 HB THR 87 7.534 1.702 9.099 708 HG1 THR 87 HG1 THR 87 8.833 0.877 10.581 709 1HG2 THR 87 2HG2 THR 87 6.839 -1.231 8.920 710 2HG2 THR 87 1HG2 THR 87 6.256 -0.111 10.150 711 3HG2 THR 87 3HG2 THR 87 5.795 0.112 8.463 712 H LEU 88 H LEU 88 6.463 -0.952 6.684 713 HA LEU 88 HA LEU 88 5.285 1.014 4.847 714 1HB LEU 88 HB2 LEU 88 5.820 -0.994 3.702 715 2HB LEU 88 HB3 LEU 88 5.155 -1.988 4.979 716 HG LEU 88 HG LEU 88 2.884 -1.091 4.393 717 1HD1 LEU 88 1HD1 LEU 88 3.602 0.956 3.282 718 2HD1 LEU 88 3HD1 LEU 88 4.346 0.004 1.998 719 3HD1 LEU 88 2HD1 LEU 88 2.597 -0.029 2.220 720 1HD2 LEU 88 3HD2 LEU 88 4.398 -2.563 2.250 721 2HD2 LEU 88 2HD2 LEU 88 3.585 -3.277 3.640 722 3HD2 LEU 88 1HD2 LEU 88 2.644 -2.479 2.381 723 H GLU 89 H GLU 89 4.027 2.191 6.240 724 HA GLU 89 HA GLU 89 2.358 1.001 8.206 725 1HB GLU 89 HB2 GLU 89 2.508 3.774 7.045 726 2HB GLU 89 HB3 GLU 89 1.370 3.329 8.310 727 1HG GLU 89 HG2 GLU 89 3.181 2.725 9.770 728 2HG GLU 89 HG3 GLU 89 4.358 3.077 8.507 729 H LEU 90 H LEU 90 0.927 -0.445 7.334 730 HA LEU 90 HA LEU 90 -1.050 0.672 5.455 731 1HB LEU 90 HB2 LEU 90 -0.156 -2.170 5.897 732 2HB LEU 90 HB3 LEU 90 -1.648 -1.783 5.069 733 HG LEU 90 HG LEU 90 1.128 -0.991 4.184 734 1HD1 LEU 90 1HD1 LEU 90 -0.847 -3.007 3.132 735 2HD1 LEU 90 3HD1 LEU 90 0.603 -2.490 2.273 736 3HD1 LEU 90 2HD1 LEU 90 0.746 -3.329 3.817 737 1HD2 LEU 90 3HD2 LEU 90 -1.556 -0.475 2.910 738 2HD2 LEU 90 2HD2 LEU 90 -0.464 0.733 3.588 739 3HD2 LEU 90 1HD2 LEU 90 0.008 -0.175 2.152 740 H VAL 91 H VAL 91 -3.160 0.725 6.043 741 HA VAL 91 HA VAL 91 -3.952 -0.622 8.521 742 HB VAL 91 HB VAL 91 -3.217 1.599 9.203 743 1HG1 VAL 91 2HG1 VAL 91 -5.202 2.598 7.164 744 2HG1 VAL 91 1HG1 VAL 91 -4.429 3.610 8.386 745 3HG1 VAL 91 3HG1 VAL 91 -3.450 2.817 7.151 746 1HG2 VAL 91 2HG2 VAL 91 -6.210 1.253 9.260 747 2HG2 VAL 91 1HG2 VAL 91 -5.046 0.676 10.452 748 3HG2 VAL 91 3HG2 VAL 91 -5.317 2.406 10.250 749 H TYR 92 H TYR 92 -6.225 -0.829 8.800 750 HA TYR 92 HA TYR 92 -7.751 -0.720 6.301 751 1HB TYR 92 HB2 TYR 92 -7.507 -2.821 7.831 752 2HB TYR 92 HB3 TYR 92 -8.694 -2.015 8.847 753 HD1 TYR 92 HD1 TYR 92 -10.587 -3.361 8.643 754 HD2 TYR 92 HD2 TYR 92 -8.539 -2.117 5.127 755 HE1 TYR 92 HE1 TYR 92 -12.395 -4.299 7.265 756 HE2 TYR 92 HE2 TYR 92 -10.343 -3.049 3.741 757 HH TYR 92 HH TYR 92 -13.337 -4.001 5.013 758 H THR 93 H THR 93 -8.264 1.481 6.271 759 HA THR 93 HA THR 93 -9.946 2.459 8.494 760 HB THR 93 HB THR 93 -7.925 3.734 8.390 761 HG1 THR 93 HG1 THR 93 -9.038 5.784 7.350 762 1HG2 THR 93 3HG2 THR 93 -8.440 3.617 5.469 763 2HG2 THR 93 2HG2 THR 93 -7.679 5.080 6.102 764 3HG2 THR 93 1HG2 THR 93 -6.919 3.506 6.357 765 H ARG 94 H ARG 94 -11.370 4.342 7.793 766 HA ARG 94 HA ARG 94 -12.786 3.580 5.337 767 1HB ARG 94 HB2 ARG 94 -13.688 5.177 7.740 768 2HB ARG 94 HB3 ARG 94 -14.673 4.903 6.311 769 1HG ARG 94 HG2 ARG 94 -14.590 2.490 6.728 770 2HG ARG 94 HG3 ARG 94 -13.630 2.788 8.178 771 1HD ARG 94 HD2 ARG 94 -15.981 2.444 8.732 772 2HD ARG 94 HD3 ARG 94 -15.459 4.077 9.140 773 HE ARG 94 HE ARG 94 -16.564 4.087 6.560 774 1HH1 ARG 94 1HH1 ARG 94 -17.526 3.699 9.886 775 2HH1 ARG 94 2HH1 ARG 94 -19.127 4.308 9.629 776 1HH2 ARG 94 1HH2 ARG 94 -18.670 4.890 6.211 777 2HH2 ARG 94 2HH2 ARG 94 -19.777 4.984 7.540 778 HA PRO 95 HA PRO 95 -10.454 7.229 3.736 779 1HB PRO 95 HB2 PRO 95 -12.239 6.323 1.504 780 2HB PRO 95 HB3 PRO 95 -10.569 6.898 1.437 781 1HG PRO 95 HG2 PRO 95 -11.081 4.296 1.311 782 2HG PRO 95 HG3 PRO 95 -9.713 4.894 2.268 783 1HD PRO 95 HD2 PRO 95 -12.340 3.839 3.175 784 2HD PRO 95 HD3 PRO 95 -10.754 3.762 3.965 785 H PHE 96 H PHE 96 -13.906 6.514 3.489 786 HA PHE 96 HA PHE 96 -14.692 9.176 2.854 787 1HB PHE 96 HB2 PHE 96 -16.154 7.405 2.210 788 2HB PHE 96 HB3 PHE 96 -16.215 6.770 3.850 789 HD1 PHE 96 HD1 PHE 96 -17.746 7.609 5.440 790 HD2 PHE 96 HD2 PHE 96 -17.311 9.531 1.669 791 HE1 PHE 96 HE1 PHE 96 -19.769 8.933 5.887 792 HE2 PHE 96 HE2 PHE 96 -19.336 10.860 2.107 793 HZ PHE 96 HZ PHE 96 -20.568 10.562 4.219 794 H GLU 97 H GLU 97 -14.470 7.325 5.862 795 HA GLU 97 HA GLU 97 -15.422 9.626 7.380 796 1HB GLU 97 HB2 GLU 97 -16.474 7.655 8.094 797 2HB GLU 97 HB3 GLU 97 -14.985 6.722 8.015 798 1HG GLU 97 HG2 GLU 97 -15.601 7.084 10.299 799 2HG GLU 97 HG3 GLU 97 -14.118 7.959 9.927 800 H GLY 98 H GLY 98 -12.880 7.227 8.047 801 1HA GLY 98 HA3 GLY 98 -11.305 9.185 9.452 802 2HA GLY 98 HA2 GLY 98 -10.604 8.721 7.907 803 H ILE 99 H ILE 99 -8.967 8.164 9.737 804 HA ILE 99 HA ILE 99 -9.107 5.272 9.990 805 HB ILE 99 HB ILE 99 -6.774 6.973 10.801 806 1HG1 ILE 99 2HG1 ILE 99 -7.158 5.859 8.027 807 2HG1 ILE 99 3HG1 ILE 99 -7.681 7.491 8.440 808 1HG2 ILE 99 2HG2 ILE 99 -7.248 4.110 10.066 809 2HG2 ILE 99 1HG2 ILE 99 -5.646 4.824 9.852 810 3HG2 ILE 99 3HG2 ILE 99 -6.388 4.785 11.451 811 1HD1 ILE 99 2HD1 ILE 99 -5.380 8.047 9.063 812 2HD1 ILE 99 1HD1 ILE 99 -4.871 6.418 8.624 813 3HD1 ILE 99 3HD1 ILE 99 -5.498 7.509 7.388 814 H LYS 100 H LYS 100 -8.825 4.152 11.912 815 HA LYS 100 HA LYS 100 -9.072 5.697 14.397 816 1HB LYS 100 HB2 LYS 100 -10.714 3.259 13.721 817 2HB LYS 100 HB3 LYS 100 -10.832 4.227 15.173 818 1HG LYS 100 HG2 LYS 100 -11.732 6.072 13.975 819 2HG LYS 100 HG3 LYS 100 -11.366 5.317 12.423 820 1HD LYS 100 HD2 LYS 100 -12.951 3.475 13.831 821 2HD LYS 100 HD3 LYS 100 -13.706 5.052 14.069 822 1HE LYS 100 HE2 LYS 100 -13.726 5.415 11.652 823 2HE LYS 100 HE3 LYS 100 -12.943 3.854 11.407 824 1HZ LYS 100 HZ1 LYS 100 -14.873 2.773 12.378 825 2HZ LYS 100 HZ3 LYS 100 -15.625 4.271 12.613 826 3HZ LYS 100 HZ2 LYS 100 -15.324 3.713 11.046 827 HA PRO 101 HA PRO 101 -6.127 2.912 16.116 828 1HB PRO 101 HB2 PRO 101 -7.061 2.511 18.639 829 2HB PRO 101 HB3 PRO 101 -6.320 4.027 18.114 830 1HG PRO 101 HG2 PRO 101 -9.218 3.327 18.386 831 2HG PRO 101 HG3 PRO 101 -8.379 4.820 18.844 832 1HD PRO 101 HD2 PRO 101 -9.831 4.599 16.571 833 2HD PRO 101 HD3 PRO 101 -8.398 5.641 16.697 834 H GLU 102 H GLU 102 -9.484 1.958 16.775 835 HA GLU 102 HA GLU 102 -8.953 -0.754 17.293 836 1HB GLU 102 HB2 GLU 102 -11.386 -1.077 16.818 837 2HB GLU 102 HB3 GLU 102 -11.032 0.168 18.011 838 1HG GLU 102 HG2 GLU 102 -11.298 1.877 16.304 839 2HG GLU 102 HG3 GLU 102 -11.658 0.631 15.113 840 H ASN 103 H ASN 103 -9.253 1.049 14.364 841 HA ASN 103 HA ASN 103 -9.968 -0.883 12.518 842 1HB ASN 103 HB2 ASN 103 -8.118 1.485 12.309 843 2HB ASN 103 HB3 ASN 103 -8.486 0.469 10.921 844 1HD2 ASN 103 1HD2 ASN 103 -10.917 0.906 13.320 845 2HD2 ASN 103 2HD2 ASN 103 -11.915 1.987 12.417 846 H GLU 104 H GLU 104 -8.810 -2.296 11.174 847 HA GLU 104 HA GLU 104 -6.862 -3.861 12.371 848 1HB GLU 104 HB2 GLU 104 -8.416 -4.117 10.184 849 2HB GLU 104 HB3 GLU 104 -6.875 -3.773 9.412 850 1HG GLU 104 HG2 GLU 104 -5.900 -5.700 10.182 851 2HG GLU 104 HG3 GLU 104 -7.024 -5.858 11.532 852 H ARG 105 H ARG 105 -4.646 -4.267 11.619 853 HA ARG 105 HA ARG 105 -3.289 -1.843 10.646 854 1HB ARG 105 HB2 ARG 105 -3.072 -1.914 13.084 855 2HB ARG 105 HB3 ARG 105 -2.455 -3.553 12.997 856 1HG ARG 105 HG2 ARG 105 -0.487 -2.431 13.224 857 2HG ARG 105 HG3 ARG 105 -0.639 -2.414 11.462 858 1HD ARG 105 HD2 ARG 105 -0.062 -0.204 12.237 859 2HD ARG 105 HD3 ARG 105 -1.703 -0.201 11.588 860 HE ARG 105 HE ARG 105 -1.909 -0.671 14.312 861 1HH1 ARG 105 1HH1 ARG 105 -0.786 1.870 12.206 862 2HH1 ARG 105 2HH1 ARG 105 -1.163 3.139 13.324 863 1HH2 ARG 105 1HH2 ARG 105 -2.407 0.995 15.789 864 2HH2 ARG 105 2HH2 ARG 105 -2.083 2.641 15.360 865 H TYR 106 H TYR 106 -1.092 -2.264 9.861 866 HA TYR 106 HA TYR 106 -0.050 -4.848 9.476 867 1HB TYR 106 HB2 TYR 106 -1.963 -4.968 7.873 868 2HB TYR 106 HB3 TYR 106 -1.243 -3.632 6.974 869 HD1 TYR 106 HD1 TYR 106 -0.975 -7.161 7.884 870 HD2 TYR 106 HD2 TYR 106 0.728 -4.007 5.597 871 HE1 TYR 106 HE1 TYR 106 0.337 -8.798 6.620 872 HE2 TYR 106 HE2 TYR 106 2.050 -5.639 4.323 873 HH TYR 106 HH TYR 106 1.455 -8.979 4.436 874 H THR 107 H THR 107 1.474 -3.319 10.483 875 HA THR 107 HA THR 107 2.775 -1.469 8.639 876 HB THR 107 HB THR 107 4.053 -1.676 11.224 877 HG1 THR 107 HG1 THR 107 2.370 -1.718 12.499 878 1HG2 THR 107 1HG2 THR 107 4.136 0.244 9.633 879 2HG2 THR 107 3HG2 THR 107 2.448 0.577 10.017 880 3HG2 THR 107 2HG2 THR 107 3.680 0.700 11.273 881 H LEU 108 H LEU 108 3.840 -2.894 7.233 882 HA LEU 108 HA LEU 108 5.496 -5.009 8.181 883 1HB LEU 108 HB2 LEU 108 4.604 -5.176 5.971 884 2HB LEU 108 HB3 LEU 108 5.294 -3.636 5.510 885 HG LEU 108 HG LEU 108 7.530 -4.561 5.563 886 1HD1 LEU 108 1HD1 LEU 108 7.256 -6.105 7.426 887 2HD1 LEU 108 3HD1 LEU 108 6.222 -7.133 6.432 888 3HD1 LEU 108 2HD1 LEU 108 7.923 -6.930 6.016 889 1HD2 LEU 108 1HD2 LEU 108 6.260 -4.805 3.502 890 2HD2 LEU 108 3HD2 LEU 108 7.348 -6.173 3.741 891 3HD2 LEU 108 2HD2 LEU 108 5.624 -6.350 4.066 892 H HIS 109 H HIS 109 6.915 -4.177 9.688 893 HA HIS 109 HA HIS 109 8.584 -1.929 9.148 894 1HB HIS 109 HB2 HIS 109 8.472 -3.981 11.310 895 2HB HIS 109 HB3 HIS 109 9.860 -2.909 11.184 896 HD1 HIS 109 HD1 HIS 109 9.597 -0.589 12.102 897 HD2 HIS 109 HD2 HIS 109 5.977 -2.603 11.783 898 HE1 HIS 109 HE1 HIS 109 7.905 0.887 13.235 899 HE2 HIS 109 HE2 HIS 109 5.739 -0.394 13.107 900 H LEU 110 H LEU 110 10.762 -1.873 8.703 901 HA LEU 110 HA LEU 110 12.094 -4.313 7.859 902 1HB LEU 110 HB2 LEU 110 11.583 -1.982 6.013 903 2HB LEU 110 HB3 LEU 110 12.665 -3.310 5.651 904 HG LEU 110 HG LEU 110 9.685 -3.572 6.100 905 1HD1 LEU 110 3HD1 LEU 110 11.280 -3.598 3.543 906 2HD1 LEU 110 2HD1 LEU 110 9.558 -3.947 3.686 907 3HD1 LEU 110 1HD1 LEU 110 10.164 -2.334 4.063 908 1HD2 LEU 110 2HD2 LEU 110 11.058 -5.569 6.675 909 2HD2 LEU 110 1HD2 LEU 110 9.921 -5.829 5.352 910 3HD2 LEU 110 3HD2 LEU 110 11.632 -5.590 5.008 911 H ASN 111 H ASN 111 14.008 -4.217 8.827 912 HA ASN 111 HA ASN 111 15.268 -1.689 9.452 913 1HB ASN 111 HB2 ASN 111 15.307 -3.677 11.006 914 2HB ASN 111 HB3 ASN 111 16.360 -4.487 9.851 915 1HD2 ASN 111 1HD2 ASN 111 18.483 -3.878 9.679 916 2HD2 ASN 111 2HD2 ASN 111 19.246 -2.798 10.790 917 H VAL 112 H VAL 112 14.966 -1.727 6.863 918 HA VAL 112 HA VAL 112 16.482 -2.918 5.025 919 HB VAL 112 HB VAL 112 16.444 0.086 5.032 920 1HG1 VAL 112 3HG1 VAL 112 17.520 -1.114 3.171 921 2HG1 VAL 112 2HG1 VAL 112 15.994 -1.942 2.852 922 3HG1 VAL 112 1HG1 VAL 112 16.106 -0.193 2.654 923 1HG2 VAL 112 1HG2 VAL 112 14.100 -1.764 4.655 924 2HG2 VAL 112 3HG2 VAL 112 14.255 -0.427 5.795 925 3HG2 VAL 112 2HG2 VAL 112 14.127 -0.103 4.067 926 H LYS 113 H LYS 113 18.558 -3.391 4.781 927 HA LYS 113 HA LYS 113 20.590 -2.435 6.476 928 1HB LYS 113 HB2 LYS 113 20.768 -3.872 3.823 929 2HB LYS 113 HB3 LYS 113 22.132 -3.601 4.899 930 1HG LYS 113 HG2 LYS 113 19.656 -5.152 5.625 931 2HG LYS 113 HG3 LYS 113 21.178 -5.865 5.085 932 1HD LYS 113 HD2 LYS 113 22.325 -4.897 7.009 933 2HD LYS 113 HD3 LYS 113 20.818 -4.151 7.542 934 1HE LYS 113 HE2 LYS 113 19.813 -6.356 7.820 935 2HE LYS 113 HE3 LYS 113 21.303 -7.114 7.259 936 1HZ LYS 113 HZ3 LYS 113 22.455 -6.173 9.165 937 2HZ LYS 113 HZ2 LYS 113 21.024 -5.450 9.703 938 3HZ LYS 113 HZ1 LYS 113 21.157 -7.136 9.666 No H/Q in entry = 938 Start of MODEL 6 1 H1 GLY -2 HT2 GLY -2 -1.844 -29.450 7.330 2 H2 GLY -2 HT1 GLY -2 -2.107 -30.201 8.823 3 H3 GLY -2 HT3 GLY -2 -1.150 -30.958 7.651 4 1HA GLY -2 HA2 GLY -2 -3.325 -31.989 7.747 5 2HA GLY -2 HA3 GLY -2 -3.051 -31.212 6.195 6 H SER -1 H SER -1 -3.946 -29.802 9.328 7 HA SER -1 HA SER -1 -6.572 -29.099 8.237 8 1HB SER -1 HB2 SER -1 -7.162 -28.542 10.572 9 2HB SER -1 HB3 SER -1 -6.566 -30.196 10.426 10 HG SER -1 HG SER -1 -5.518 -28.071 11.795 11 H HIS 0 H HIS 0 -6.929 -27.136 7.460 12 HA HIS 0 HA HIS 0 -5.598 -24.829 8.646 13 1HB HIS 0 HB2 HIS 0 -4.115 -25.525 6.803 14 2HB HIS 0 HB3 HIS 0 -5.468 -25.425 5.681 15 HD1 HIS 0 HD1 HIS 0 -3.011 -23.328 7.534 16 HD2 HIS 0 HD2 HIS 0 -6.235 -22.810 4.965 17 HE1 HIS 0 HE1 HIS 0 -2.911 -20.924 6.806 18 HE2 HIS 0 HE2 HIS 0 -4.820 -20.656 5.183 19 H MET 1 H MET 1 -6.911 -23.110 8.774 20 HA MET 1 HA MET 1 -9.298 -23.034 7.059 21 1HB MET 1 HB2 MET 1 -9.238 -22.512 10.038 22 2HB MET 1 HB3 MET 1 -10.631 -22.269 8.993 23 1HG MET 1 HG2 MET 1 -9.270 -24.897 9.542 24 2HG MET 1 HG3 MET 1 -10.799 -24.352 10.231 25 1HE MET 1 HE3 MET 1 -11.954 -26.615 9.434 26 2HE MET 1 HE2 MET 1 -11.897 -27.206 7.774 27 3HE MET 1 HE1 MET 1 -10.424 -27.154 8.741 28 H ILE 2 H ILE 2 -9.774 -21.087 6.218 29 HA ILE 2 HA ILE 2 -7.967 -18.879 6.837 30 HB ILE 2 HB ILE 2 -8.877 -17.814 4.819 31 1HG1 ILE 2 2HG1 ILE 2 -10.494 -20.354 4.502 32 2HG1 ILE 2 3HG1 ILE 2 -11.159 -18.798 4.986 33 1HG2 ILE 2 2HG2 ILE 2 -6.944 -19.282 4.637 34 2HG2 ILE 2 1HG2 ILE 2 -8.006 -20.671 4.401 35 3HG2 ILE 2 3HG2 ILE 2 -7.948 -19.390 3.191 36 1HD1 ILE 2 1HD1 ILE 2 -10.492 -17.846 2.841 37 2HD1 ILE 2 3HD1 ILE 2 -9.832 -19.407 2.356 38 3HD1 ILE 2 2HD1 ILE 2 -11.563 -19.232 2.637 39 H ALA 3 H ALA 3 -10.464 -19.826 8.400 40 HA ALA 3 HA ALA 3 -12.494 -17.944 8.271 41 1HB ALA 3 HB3 ALA 3 -11.450 -19.335 10.734 42 2HB ALA 3 HB1 ALA 3 -12.626 -19.994 9.597 43 3HB ALA 3 HB2 ALA 3 -13.031 -18.574 10.562 44 HA PRO 4 HA PRO 4 -10.064 -14.347 9.535 45 1HB PRO 4 HB2 PRO 4 -12.047 -12.527 9.155 46 2HB PRO 4 HB3 PRO 4 -11.071 -13.177 7.833 47 1HG PRO 4 HG2 PRO 4 -13.813 -13.975 8.737 48 2HG PRO 4 HG3 PRO 4 -13.204 -13.742 7.088 49 1HD PRO 4 HD2 PRO 4 -13.472 -16.192 8.198 50 2HD PRO 4 HD3 PRO 4 -12.184 -15.812 7.038 51 H LEU 5 H LEU 5 -9.749 -13.684 11.559 52 HA LEU 5 HA LEU 5 -12.061 -13.393 13.347 53 1HB LEU 5 HB2 LEU 5 -9.462 -14.757 14.057 54 2HB LEU 5 HB3 LEU 5 -10.758 -14.402 15.181 55 HG LEU 5 HG LEU 5 -11.023 -16.239 12.799 56 1HD1 LEU 5 2HD1 LEU 5 -9.470 -17.158 14.433 57 2HD1 LEU 5 1HD1 LEU 5 -10.651 -16.898 15.717 58 3HD1 LEU 5 3HD1 LEU 5 -10.988 -18.057 14.431 59 1HD2 LEU 5 3HD2 LEU 5 -13.124 -15.209 13.473 60 2HD2 LEU 5 2HD2 LEU 5 -13.109 -16.926 13.874 61 3HD2 LEU 5 1HD2 LEU 5 -12.854 -15.721 15.138 62 H SER 6 H SER 6 -10.938 -12.514 15.598 63 HA SER 6 HA SER 6 -10.275 -9.846 15.040 64 1HB SER 6 HB2 SER 6 -11.294 -10.526 17.161 65 2HB SER 6 HB3 SER 6 -9.838 -11.426 17.587 66 HG SER 6 HG SER 6 -10.035 -8.622 17.191 67 H VAL 7 H VAL 7 -8.257 -12.621 15.896 68 HA VAL 7 HA VAL 7 -5.827 -11.080 15.903 69 HB VAL 7 HB VAL 7 -6.131 -14.084 15.826 70 1HG1 VAL 7 2HG1 VAL 7 -3.901 -13.301 15.231 71 2HG1 VAL 7 1HG1 VAL 7 -3.836 -12.332 16.703 72 3HG1 VAL 7 3HG1 VAL 7 -3.887 -14.092 16.807 73 1HG2 VAL 7 2HG2 VAL 7 -5.928 -12.237 18.202 74 2HG2 VAL 7 1HG2 VAL 7 -7.340 -13.180 17.728 75 3HG2 VAL 7 3HG2 VAL 7 -5.874 -13.998 18.267 76 H LYS 8 H LYS 8 -4.212 -11.056 14.354 77 HA LYS 8 HA LYS 8 -4.203 -12.635 12.020 78 1HB LYS 8 HB2 LYS 8 -6.169 -11.241 11.468 79 2HB LYS 8 HB3 LYS 8 -5.180 -9.800 11.644 80 1HG LYS 8 HG2 LYS 8 -5.419 -10.310 9.317 81 2HG LYS 8 HG3 LYS 8 -3.748 -10.601 9.800 82 1HD LYS 8 HD2 LYS 8 -4.214 -12.997 9.973 83 2HD LYS 8 HD3 LYS 8 -5.887 -12.706 9.492 84 1HE LYS 8 HE2 LYS 8 -4.557 -13.488 7.605 85 2HE LYS 8 HE3 LYS 8 -5.126 -11.840 7.341 86 1HZ LYS 8 HZ1 LYS 8 -2.950 -11.023 8.010 87 2HZ LYS 8 HZ3 LYS 8 -2.405 -12.606 8.253 88 3HZ LYS 8 HZ2 LYS 8 -2.816 -12.082 6.698 89 H ASP 9 H ASP 9 -2.225 -12.567 11.148 90 HA ASP 9 HA ASP 9 -0.163 -11.127 12.379 91 1HB ASP 9 HB2 ASP 9 -0.134 -12.424 9.647 92 2HB ASP 9 HB3 ASP 9 1.261 -12.043 10.641 93 H ASN 10 H ASN 10 0.379 -9.054 12.157 94 HA ASN 10 HA ASN 10 -0.244 -7.714 9.627 95 1HB ASN 10 HB2 ASN 10 -0.415 -5.635 11.217 96 2HB ASN 10 HB3 ASN 10 -1.790 -6.699 10.985 97 1HD2 ASN 10 1HD2 ASN 10 -1.094 -4.904 13.168 98 2HD2 ASN 10 2HD2 ASN 10 -1.060 -5.883 14.585 99 H ASP 11 H ASP 11 1.224 -6.125 12.306 100 HA ASP 11 HA ASP 11 3.322 -5.043 10.892 101 1HB ASP 11 HB2 ASP 11 4.356 -4.830 13.285 102 2HB ASP 11 HB3 ASP 11 2.890 -3.946 12.877 103 H LYS 12 H LYS 12 4.600 -6.334 9.733 104 HA LYS 12 HA LYS 12 5.838 -8.663 10.953 105 1HB LYS 12 HB2 LYS 12 5.004 -9.029 8.745 106 2HB LYS 12 HB3 LYS 12 5.790 -7.580 8.138 107 1HG LYS 12 HG2 LYS 12 7.187 -9.198 7.342 108 2HG LYS 12 HG3 LYS 12 7.965 -8.802 8.874 109 1HD LYS 12 HD2 LYS 12 5.960 -11.026 8.649 110 2HD LYS 12 HD3 LYS 12 7.669 -11.280 8.293 111 1HE LYS 12 HE2 LYS 12 8.230 -10.467 10.555 112 2HE LYS 12 HE3 LYS 12 6.508 -10.310 10.901 113 1HZ LYS 12 HZ3 LYS 12 7.908 -12.838 10.221 114 2HZ LYS 12 HZ2 LYS 12 7.396 -12.378 11.766 115 3HZ LYS 12 HZ1 LYS 12 6.256 -12.687 10.556 116 H TRP 13 H TRP 13 7.311 -7.832 12.385 117 HA TRP 13 HA TRP 13 9.156 -5.762 11.695 118 1HB TRP 13 HB2 TRP 13 9.482 -7.608 14.038 119 2HB TRP 13 HB3 TRP 13 9.857 -5.895 13.910 120 HD1 TRP 13 HD1 TRP 13 6.835 -8.245 14.304 121 HE1 TRP 13 HE1 TRP 13 4.878 -6.912 15.307 122 HE3 TRP 13 HE3 TRP 13 8.947 -3.587 14.324 123 HZ2 TRP 13 HZ2 TRP 13 4.287 -4.236 16.003 124 HZ3 TRP 13 HZ3 TRP 13 7.625 -1.698 15.186 125 HH2 TRP 13 HH2 TRP 13 5.350 -2.019 16.013 126 H VAL 14 H VAL 14 10.606 -6.216 10.120 127 HA VAL 14 HA VAL 14 12.503 -8.379 10.640 128 HB VAL 14 HB VAL 14 12.347 -9.231 8.300 129 1HG1 VAL 14 3HG1 VAL 14 11.372 -10.482 10.142 130 2HG1 VAL 14 2HG1 VAL 14 9.873 -9.565 9.990 131 3HG1 VAL 14 1HG1 VAL 14 10.383 -10.642 8.691 132 1HG2 VAL 14 1HG2 VAL 14 9.802 -7.615 8.267 133 2HG2 VAL 14 3HG2 VAL 14 11.225 -7.367 7.255 134 3HG2 VAL 14 2HG2 VAL 14 10.251 -8.825 7.063 135 H ASP 15 H ASP 15 13.950 -8.455 8.447 136 HA ASP 15 HA ASP 15 14.971 -5.713 8.156 137 1HB ASP 15 HB2 ASP 15 16.223 -8.402 8.339 138 2HB ASP 15 HB3 ASP 15 17.026 -7.210 7.317 139 H THR 16 H THR 16 16.400 -5.647 5.973 140 HA THR 16 HA THR 16 15.481 -7.101 3.739 141 HB THR 16 HB THR 16 13.447 -5.629 4.378 142 HG1 THR 16 HG1 THR 16 13.269 -6.598 2.444 143 1HG2 THR 16 3HG2 THR 16 14.750 -3.537 4.625 144 2HG2 THR 16 2HG2 THR 16 15.093 -3.584 2.896 145 3HG2 THR 16 1HG2 THR 16 13.434 -3.395 3.461 146 H HIS 17 H HIS 17 15.818 -5.549 1.641 147 HA HIS 17 HA HIS 17 18.432 -4.242 2.019 148 1HB HIS 17 HB2 HIS 17 17.447 -5.821 -0.368 149 2HB HIS 17 HB3 HIS 17 18.983 -4.966 -0.286 150 HD1 HIS 17 HD1 HIS 17 20.919 -6.196 0.715 151 HD2 HIS 17 HD2 HIS 17 17.288 -8.073 1.458 152 HE1 HIS 17 HE1 HIS 17 21.506 -8.405 1.762 153 HE2 HIS 17 HE2 HIS 17 19.296 -9.555 2.135 154 H VAL 18 H VAL 18 18.773 -3.041 -0.389 155 HA VAL 18 HA VAL 18 16.886 -0.869 -0.219 156 HB VAL 18 HB VAL 18 19.200 -1.235 -2.126 157 1HG1 VAL 18 2HG1 VAL 18 17.588 1.213 -1.407 158 2HG1 VAL 18 1HG1 VAL 18 19.037 1.204 -2.414 159 3HG1 VAL 18 3HG1 VAL 18 17.580 0.371 -2.957 160 1HG2 VAL 18 2HG2 VAL 18 19.911 -1.233 0.219 161 2HG2 VAL 18 1HG2 VAL 18 20.439 0.227 -0.618 162 3HG2 VAL 18 3HG2 VAL 18 19.056 0.288 0.476 163 H GLY 19 H GLY 19 15.142 -0.577 -1.389 164 1HA GLY 19 HA3 GLY 19 14.894 -1.180 -4.143 165 2HA GLY 19 HA2 GLY 19 13.597 -0.704 -3.067 166 H LYS 20 H LYS 20 14.440 -3.157 -1.362 167 HA LYS 20 HA LYS 20 13.947 -5.472 -2.849 168 1HB LYS 20 HB2 LYS 20 14.674 -5.074 -0.330 169 2HB LYS 20 HB3 LYS 20 12.958 -5.283 -0.038 170 1HG LYS 20 HG2 LYS 20 13.506 -7.443 0.136 171 2HG LYS 20 HG3 LYS 20 13.441 -7.403 -1.630 172 1HD LYS 20 HD2 LYS 20 15.799 -7.067 -1.776 173 2HD LYS 20 HD3 LYS 20 15.917 -6.835 -0.032 174 1HE LYS 20 HE2 LYS 20 16.691 -9.062 -0.676 175 2HE LYS 20 HE3 LYS 20 15.246 -9.156 0.330 176 1HZ LYS 20 HZ3 LYS 20 15.308 -9.393 -2.631 177 2HZ LYS 20 HZ2 LYS 20 15.119 -10.674 -1.542 178 3HZ LYS 20 HZ1 LYS 20 13.922 -9.484 -1.665 179 H THR 21 H THR 21 12.263 -4.974 -4.306 180 HA THR 21 HA THR 21 9.760 -3.957 -3.665 181 HB THR 21 HB THR 21 10.117 -6.047 -5.798 182 HG1 THR 21 HG1 THR 21 11.232 -4.649 -7.003 183 1HG2 THR 21 1HG2 THR 21 7.864 -5.152 -5.412 184 2HG2 THR 21 3HG2 THR 21 8.474 -3.514 -5.647 185 3HG2 THR 21 2HG2 THR 21 8.488 -4.662 -6.987 186 H THR 22 H THR 22 8.764 -4.777 -1.893 187 HA THR 22 HA THR 22 8.325 -7.664 -1.732 188 HB THR 22 HB THR 22 7.712 -5.480 0.273 189 HG1 THR 22 HG1 THR 22 9.811 -5.749 0.547 190 1HG2 THR 22 2HG2 THR 22 7.488 -8.482 0.530 191 2HG2 THR 22 1HG2 THR 22 7.299 -7.326 1.849 192 3HG2 THR 22 3HG2 THR 22 6.149 -7.335 0.512 193 H GLU 23 H GLU 23 6.724 -8.258 -3.020 194 HA GLU 23 HA GLU 23 4.364 -6.676 -3.408 195 1HB GLU 23 HB2 GLU 23 5.379 -8.013 -5.215 196 2HB GLU 23 HB3 GLU 23 5.050 -9.478 -4.302 197 1HG GLU 23 HG2 GLU 23 2.698 -9.175 -4.517 198 2HG GLU 23 HG3 GLU 23 2.927 -7.565 -5.197 199 H ILE 24 H ILE 24 2.484 -6.867 -2.378 200 HA ILE 24 HA ILE 24 1.983 -9.270 -0.778 201 HB ILE 24 HB ILE 24 1.526 -6.469 0.217 202 1HG1 ILE 24 2HG1 ILE 24 3.634 -8.486 1.008 203 2HG1 ILE 24 3HG1 ILE 24 3.922 -7.003 0.108 204 1HG2 ILE 24 3HG2 ILE 24 -0.076 -8.123 1.049 205 2HG2 ILE 24 2HG2 ILE 24 1.260 -9.130 1.610 206 3HG2 ILE 24 1HG2 ILE 24 0.984 -7.547 2.336 207 1HD1 ILE 24 1HD1 ILE 24 2.920 -7.173 2.937 208 2HD1 ILE 24 3HD1 ILE 24 4.558 -6.760 2.434 209 3HD1 ILE 24 2HD1 ILE 24 3.217 -5.689 2.031 210 H HIS 25 H HIS 25 0.291 -10.087 -1.831 211 HA HIS 25 HA HIS 25 -1.862 -8.398 -2.776 212 1HB HIS 25 HB2 HIS 25 -1.991 -11.389 -2.715 213 2HB HIS 25 HB3 HIS 25 -2.675 -10.274 -3.886 214 HD1 HIS 25 HD1 HIS 25 -0.038 -12.632 -3.566 215 HD2 HIS 25 HD2 HIS 25 -0.452 -8.945 -5.436 216 HE1 HIS 25 HE1 HIS 25 1.786 -12.546 -5.293 217 HE2 HIS 25 HE2 HIS 25 1.428 -10.365 -6.501 218 H LEU 26 H LEU 26 -3.007 -7.588 -1.098 219 HA LEU 26 HA LEU 26 -3.761 -9.357 1.110 220 1HB LEU 26 HB2 LEU 26 -4.167 -6.390 0.787 221 2HB LEU 26 HB3 LEU 26 -4.504 -7.317 2.234 222 HG LEU 26 HG LEU 26 -1.733 -7.146 1.072 223 1HD1 LEU 26 3HD1 LEU 26 -2.985 -5.323 3.122 224 2HD1 LEU 26 2HD1 LEU 26 -1.278 -5.355 2.674 225 3HD1 LEU 26 1HD1 LEU 26 -2.492 -4.869 1.490 226 1HD2 LEU 26 1HD2 LEU 26 -2.298 -8.931 2.728 227 2HD2 LEU 26 3HD2 LEU 26 -1.027 -7.826 3.247 228 3HD2 LEU 26 2HD2 LEU 26 -2.659 -7.656 3.893 229 H LYS 27 H LYS 27 -5.923 -9.642 1.731 230 HA LYS 27 HA LYS 27 -7.828 -9.207 -0.461 231 1HB LYS 27 HB2 LYS 27 -8.253 -11.072 1.857 232 2HB LYS 27 HB3 LYS 27 -9.046 -11.081 0.291 233 1HG LYS 27 HG2 LYS 27 -6.844 -11.671 -0.735 234 2HG LYS 27 HG3 LYS 27 -6.207 -11.861 0.900 235 1HD LYS 27 HD2 LYS 27 -8.574 -13.373 -0.200 236 2HD LYS 27 HD3 LYS 27 -6.926 -14.000 -0.132 237 1HE LYS 27 HE2 LYS 27 -8.599 -13.148 2.227 238 2HE LYS 27 HE3 LYS 27 -8.255 -14.809 1.747 239 1HZ LYS 27 HZ2 LYS 27 -6.233 -12.807 2.600 240 2HZ LYS 27 HZ1 LYS 27 -6.813 -14.085 3.545 241 3HZ LYS 27 HZ3 LYS 27 -5.909 -14.405 2.151 242 H GLY 28 H GLY 28 -10.091 -8.786 0.179 243 1HA GLY 28 HA3 GLY 28 -10.245 -6.463 1.760 244 2HA GLY 28 HA2 GLY 28 -10.819 -7.825 2.707 245 H ASN 29 H ASN 29 -12.176 -5.408 1.558 246 HA ASN 29 HA ASN 29 -13.885 -6.184 -0.544 247 1HB ASN 29 HB2 ASN 29 -14.673 -7.782 1.215 248 2HB ASN 29 HB3 ASN 29 -15.141 -6.399 2.199 249 1HD2 ASN 29 1HD2 ASN 29 -17.295 -6.964 2.206 250 2HD2 ASN 29 2HD2 ASN 29 -18.301 -6.809 0.810 251 HA PRO 30 HA PRO 30 -13.736 -1.656 0.252 252 1HB PRO 30 HB2 PRO 30 -14.667 -1.108 -2.308 253 2HB PRO 30 HB3 PRO 30 -12.969 -1.207 -1.837 254 1HG PRO 30 HG2 PRO 30 -14.701 -3.261 -3.136 255 2HG PRO 30 HG3 PRO 30 -12.995 -2.879 -3.434 256 1HD PRO 30 HD2 PRO 30 -13.708 -5.030 -2.014 257 2HD PRO 30 HD3 PRO 30 -12.276 -4.076 -1.577 258 H THR 31 H THR 31 -16.305 -3.752 -0.805 259 HA THR 31 HA THR 31 -18.367 -1.776 -0.778 260 HB THR 31 HB THR 31 -19.935 -3.622 -0.934 261 HG1 THR 31 HG1 THR 31 -19.329 -5.703 -0.571 262 1HG2 THR 31 2HG2 THR 31 -17.468 -4.114 -2.606 263 2HG2 THR 31 1HG2 THR 31 -19.089 -4.706 -2.967 264 3HG2 THR 31 3HG2 THR 31 -18.761 -2.973 -2.976 265 H THR 32 H THR 32 -16.552 -2.856 1.693 266 HA THR 32 HA THR 32 -18.696 -3.145 3.644 267 HB THR 32 HB THR 32 -16.911 -3.554 5.282 268 HG1 THR 32 HG1 THR 32 -15.230 -2.311 4.505 269 1HG2 THR 32 1HG2 THR 32 -16.578 -5.134 2.729 270 2HG2 THR 32 3HG2 THR 32 -16.049 -5.648 4.330 271 3HG2 THR 32 2HG2 THR 32 -17.768 -5.442 3.994 272 H GLY 33 H GLY 33 -15.852 -1.045 3.156 273 1HA GLY 33 HA3 GLY 33 -16.916 0.858 5.094 274 2HA GLY 33 HA2 GLY 33 -16.837 1.408 3.427 275 H TYR 34 H TYR 34 -14.517 -0.683 5.087 276 HA TYR 34 HA TYR 34 -12.625 1.490 5.383 277 1HB TYR 34 HB2 TYR 34 -12.408 -1.453 6.024 278 2HB TYR 34 HB3 TYR 34 -11.148 -0.272 6.355 279 HD1 TYR 34 HD1 TYR 34 -14.613 -1.252 7.200 280 HD2 TYR 34 HD2 TYR 34 -11.235 1.101 8.292 281 HE1 TYR 34 HE1 TYR 34 -15.660 -0.766 9.372 282 HE2 TYR 34 HE2 TYR 34 -12.275 1.591 10.464 283 HH TYR 34 HH TYR 34 -14.977 -0.092 11.635 284 H MET 35 H MET 35 -10.254 0.817 4.796 285 HA MET 35 HA MET 35 -10.080 -0.444 2.182 286 1HB MET 35 HB2 MET 35 -10.247 1.722 1.388 287 2HB MET 35 HB3 MET 35 -9.542 2.416 2.845 288 1HG MET 35 HG2 MET 35 -7.351 1.549 2.169 289 2HG MET 35 HG3 MET 35 -8.072 0.938 0.697 290 1HE MET 35 HE2 MET 35 -10.115 3.139 -0.107 291 2HE MET 35 HE1 MET 35 -9.175 4.245 -1.108 292 3HE MET 35 HE3 MET 35 -8.981 2.503 -1.300 293 H TRP 36 H TRP 36 -8.006 -1.187 1.698 294 HA TRP 36 HA TRP 36 -6.212 -1.312 4.016 295 1HB TRP 36 HB2 TRP 36 -6.935 -3.193 1.900 296 2HB TRP 36 HB3 TRP 36 -5.206 -3.072 2.169 297 HD1 TRP 36 HD1 TRP 36 -8.002 -5.059 3.275 298 HE1 TRP 36 HE1 TRP 36 -7.570 -6.137 5.574 299 HE3 TRP 36 HE3 TRP 36 -3.987 -2.261 4.742 300 HZ2 TRP 36 HZ2 TRP 36 -5.766 -5.837 7.720 301 HZ3 TRP 36 HZ3 TRP 36 -2.968 -2.719 6.930 302 HH2 TRP 36 HH2 TRP 36 -3.844 -4.469 8.387 303 H THR 37 H THR 37 -5.369 0.773 3.657 304 HA THR 37 HA THR 37 -3.454 0.886 1.416 305 HB THR 37 HB THR 37 -5.391 2.380 0.985 306 HG1 THR 37 HG1 THR 37 -3.379 3.019 0.165 307 1HG2 THR 37 2HG2 THR 37 -4.454 3.735 3.523 308 2HG2 THR 37 1HG2 THR 37 -5.636 4.402 2.395 309 3HG2 THR 37 3HG2 THR 37 -5.997 2.917 3.273 310 H ARG 38 H ARG 38 -2.059 3.168 2.079 311 HA ARG 38 HA ARG 38 -0.725 2.281 4.492 312 1HB ARG 38 HB2 ARG 38 0.010 3.967 2.186 313 2HB ARG 38 HB3 ARG 38 0.712 4.438 3.720 314 1HG ARG 38 HG2 ARG 38 1.790 2.383 3.991 315 2HG ARG 38 HG3 ARG 38 0.887 1.655 2.661 316 1HD ARG 38 HD2 ARG 38 3.258 2.338 2.162 317 2HD ARG 38 HD3 ARG 38 2.053 2.910 1.050 318 HE ARG 38 HE ARG 38 2.315 5.092 1.991 319 1HH1 ARG 38 1HH1 ARG 38 4.584 2.718 3.155 320 2HH1 ARG 38 2HH1 ARG 38 5.767 3.889 3.633 321 1HH2 ARG 38 1HH2 ARG 38 3.887 6.645 2.603 322 2HH2 ARG 38 2HH2 ARG 38 5.369 6.117 3.323 323 H VAL 39 H VAL 39 -0.414 3.474 6.341 324 HA VAL 39 HA VAL 39 -2.541 5.050 7.229 325 HB VAL 39 HB VAL 39 0.234 5.028 8.415 326 1HG1 VAL 39 3HG1 VAL 39 -2.479 5.499 9.645 327 2HG1 VAL 39 2HG1 VAL 39 -0.952 5.436 10.524 328 3HG1 VAL 39 1HG1 VAL 39 -1.240 6.718 9.348 329 1HG2 VAL 39 1HG2 VAL 39 -0.736 2.736 7.952 330 2HG2 VAL 39 3HG2 VAL 39 -0.301 3.076 9.627 331 3HG2 VAL 39 2HG2 VAL 39 -1.992 3.135 9.125 332 H GLY 40 H GLY 40 -2.803 7.227 7.594 333 1HA GLY 40 HA3 GLY 40 -0.791 9.180 7.214 334 2HA GLY 40 HA2 GLY 40 -2.515 9.488 7.333 335 H PHE 41 H PHE 41 -2.959 7.629 4.986 336 HA PHE 41 HA PHE 41 -2.363 9.643 2.942 337 1HB PHE 41 HB2 PHE 41 -1.809 6.683 2.709 338 2HB PHE 41 HB3 PHE 41 -1.819 7.785 1.339 339 HD1 PHE 41 HD1 PHE 41 -0.350 10.014 1.861 340 HD2 PHE 41 HD2 PHE 41 0.247 6.146 3.525 341 HE1 PHE 41 HE1 PHE 41 2.003 10.576 2.306 342 HE2 PHE 41 HE2 PHE 41 2.600 6.700 3.978 343 HZ PHE 41 HZ PHE 41 3.482 8.918 3.369 344 H VAL 42 H VAL 42 -4.233 6.835 3.922 345 HA VAL 42 HA VAL 42 -5.995 6.111 2.209 346 HB VAL 42 HB VAL 42 -6.358 5.748 4.593 347 1HG1 VAL 42 1HG1 VAL 42 -5.982 8.059 5.347 348 2HG1 VAL 42 3HG1 VAL 42 -7.534 8.523 4.650 349 3HG1 VAL 42 2HG1 VAL 42 -7.476 7.377 5.989 350 1HG2 VAL 42 1HG2 VAL 42 -8.736 6.819 3.090 351 2HG2 VAL 42 3HG2 VAL 42 -8.159 5.154 3.141 352 3HG2 VAL 42 2HG2 VAL 42 -8.845 5.893 4.588 353 H GLY 43 H GLY 43 -7.015 6.903 0.511 354 1HA GLY 43 HA3 GLY 43 -8.411 9.468 0.710 355 2HA GLY 43 HA2 GLY 43 -8.615 8.270 -0.562 356 H LYS 44 H LYS 44 -5.441 8.356 -0.298 357 HA LYS 44 HA LYS 44 -4.859 10.820 -1.695 358 1HB LYS 44 HB2 LYS 44 -2.585 10.237 -1.358 359 2HB LYS 44 HB3 LYS 44 -3.422 9.797 0.118 360 1HG LYS 44 HG2 LYS 44 -2.630 7.898 -2.080 361 2HG LYS 44 HG3 LYS 44 -1.804 8.108 -0.541 362 1HD LYS 44 HD2 LYS 44 -3.068 6.374 0.112 363 2HD LYS 44 HD3 LYS 44 -4.312 7.602 0.316 364 1HE LYS 44 HE2 LYS 44 -5.038 5.570 -0.951 365 2HE LYS 44 HE3 LYS 44 -5.284 7.099 -1.791 366 1HZ LYS 44 HZ1 LYS 44 -3.190 6.667 -2.999 367 2HZ LYS 44 HZ3 LYS 44 -3.105 5.143 -2.270 368 3HZ LYS 44 HZ2 LYS 44 -4.384 5.511 -3.310 369 H ASP 45 H ASP 45 -2.783 10.049 -3.302 370 HA ASP 45 HA ASP 45 -4.063 8.408 -5.376 371 1HB ASP 45 HB2 ASP 45 -2.386 10.892 -5.493 372 2HB ASP 45 HB3 ASP 45 -2.388 9.778 -6.850 373 H VAL 46 H VAL 46 -1.173 9.147 -3.576 374 HA VAL 46 HA VAL 46 -0.034 6.558 -4.288 375 HB VAL 46 HB VAL 46 1.199 9.187 -4.939 376 1HG1 VAL 46 1HG1 VAL 46 2.784 6.802 -3.990 377 2HG1 VAL 46 3HG1 VAL 46 3.467 8.168 -4.873 378 3HG1 VAL 46 2HG1 VAL 46 2.758 8.415 -3.278 379 1HG2 VAL 46 1HG2 VAL 46 0.292 7.679 -6.658 380 2HG2 VAL 46 3HG2 VAL 46 2.024 7.958 -6.854 381 3HG2 VAL 46 2HG2 VAL 46 1.448 6.443 -6.155 382 H LEU 47 H LEU 47 0.529 5.552 -2.523 383 HA LEU 47 HA LEU 47 0.507 6.786 0.029 384 1HB LEU 47 HB2 LEU 47 1.845 4.178 -0.362 385 2HB LEU 47 HB3 LEU 47 0.720 4.679 0.878 386 HG LEU 47 HG LEU 47 -0.012 3.986 -1.967 387 1HD1 LEU 47 3HD1 LEU 47 -0.374 2.467 0.610 388 2HD1 LEU 47 2HD1 LEU 47 -1.101 2.025 -0.935 389 3HD1 LEU 47 1HD1 LEU 47 0.653 2.013 -0.750 390 1HD2 LEU 47 3HD2 LEU 47 -1.734 4.677 0.405 391 2HD2 LEU 47 2HD2 LEU 47 -1.504 5.657 -1.043 392 3HD2 LEU 47 1HD2 LEU 47 -2.322 4.096 -1.153 393 H SER 48 H SER 48 3.114 5.220 -1.791 394 HA SER 48 HA SER 48 5.278 5.788 -0.232 395 1HB SER 48 HB2 SER 48 6.614 5.437 -2.164 396 2HB SER 48 HB3 SER 48 5.170 4.457 -2.391 397 HG SER 48 HG SER 48 6.117 6.290 -4.009 398 H ASP 49 H ASP 49 7.151 7.323 -1.033 399 HA ASP 49 HA ASP 49 6.325 9.903 -1.977 400 1HB ASP 49 HB2 ASP 49 5.775 9.632 0.621 401 2HB ASP 49 HB3 ASP 49 7.480 10.059 0.758 402 H GLU 50 H GLU 50 8.836 9.056 0.364 403 HA GLU 50 HA GLU 50 10.871 9.356 -1.723 404 1HB GLU 50 HB2 GLU 50 12.171 10.834 -0.314 405 2HB GLU 50 HB3 GLU 50 10.560 11.501 -0.549 406 1HG GLU 50 HG2 GLU 50 9.884 10.722 1.639 407 2HG GLU 50 HG3 GLU 50 11.478 10.010 1.892 408 H ILE 51 H ILE 51 10.023 8.245 1.511 409 HA ILE 51 HA ILE 51 12.472 6.872 2.002 410 HB ILE 51 HB ILE 51 9.783 6.360 3.269 411 1HG1 ILE 51 2HG1 ILE 51 10.466 8.751 3.365 412 2HG1 ILE 51 3HG1 ILE 51 10.384 7.983 4.946 413 1HG2 ILE 51 1HG2 ILE 51 12.599 5.789 4.178 414 2HG2 ILE 51 3HG2 ILE 51 11.162 5.609 5.188 415 3HG2 ILE 51 2HG2 ILE 51 11.359 4.611 3.747 416 1HD1 ILE 51 2HD1 ILE 51 12.908 8.447 3.375 417 2HD1 ILE 51 1HD1 ILE 51 12.333 9.450 4.709 418 3HD1 ILE 51 3HD1 ILE 51 12.793 7.772 5.000 419 H LEU 52 H LEU 52 9.312 5.304 1.970 420 HA LEU 52 HA LEU 52 10.510 3.024 0.573 421 1HB LEU 52 HB2 LEU 52 8.191 3.396 2.400 422 2HB LEU 52 HB3 LEU 52 8.103 2.098 1.225 423 HG LEU 52 HG LEU 52 10.426 2.378 3.111 424 1HD1 LEU 52 1HD1 LEU 52 7.874 0.835 3.542 425 2HD1 LEU 52 3HD1 LEU 52 9.319 0.735 4.547 426 3HD1 LEU 52 2HD1 LEU 52 8.409 2.243 4.460 427 1HD2 LEU 52 2HD2 LEU 52 10.525 0.933 1.023 428 2HD2 LEU 52 1HD2 LEU 52 10.900 0.143 2.556 429 3HD2 LEU 52 3HD2 LEU 52 9.322 -0.089 1.807 430 H GLU 53 H GLU 53 10.285 3.002 -1.587 431 HA GLU 53 HA GLU 53 8.262 4.434 -2.972 432 1HB GLU 53 HB2 GLU 53 10.520 2.706 -3.651 433 2HB GLU 53 HB3 GLU 53 9.154 2.497 -4.737 434 1HG GLU 53 HG2 GLU 53 9.907 5.269 -4.132 435 2HG GLU 53 HG3 GLU 53 11.075 4.330 -5.060 436 H VAL 54 H VAL 54 6.540 3.490 -1.541 437 HA VAL 54 HA VAL 54 5.737 0.787 -1.929 438 HB VAL 54 HB VAL 54 4.023 3.027 -0.874 439 1HG1 VAL 54 3HG1 VAL 54 2.870 0.940 -1.402 440 2HG1 VAL 54 2HG1 VAL 54 4.000 0.052 -0.380 441 3HG1 VAL 54 1HG1 VAL 54 2.902 1.231 0.336 442 1HG2 VAL 54 2HG2 VAL 54 6.235 1.493 0.424 443 2HG2 VAL 54 1HG2 VAL 54 5.875 3.216 0.502 444 3HG2 VAL 54 3HG2 VAL 54 4.870 2.064 1.380 445 H VAL 55 H VAL 55 5.609 0.635 -4.221 446 HA VAL 55 HA VAL 55 3.626 2.187 -5.623 447 HB VAL 55 HB VAL 55 5.031 -0.299 -6.582 448 1HG1 VAL 55 1HG1 VAL 55 2.971 0.498 -7.781 449 2HG1 VAL 55 3HG1 VAL 55 3.864 1.966 -8.182 450 3HG1 VAL 55 2HG1 VAL 55 4.429 0.402 -8.772 451 1HG2 VAL 55 2HG2 VAL 55 5.873 2.586 -6.866 452 2HG2 VAL 55 1HG2 VAL 55 6.694 1.349 -5.914 453 3HG2 VAL 55 3HG2 VAL 55 6.638 1.216 -7.672 454 H CYS 56 H CYS 56 1.788 1.726 -4.453 455 HA CYS 56 HA CYS 56 0.828 -1.039 -4.471 456 1HB CYS 56 HB2 CYS 56 0.782 -0.066 -2.281 457 2HB CYS 56 HB3 CYS 56 -0.043 1.370 -2.877 458 HG CYS 56 HG CYS 56 -1.576 -1.644 -3.189 459 H LYS 57 H LYS 57 -1.107 -1.614 -5.339 460 HA LYS 57 HA LYS 57 -2.566 0.424 -6.866 461 1HB LYS 57 HB2 LYS 57 -2.270 -2.366 -7.903 462 2HB LYS 57 HB3 LYS 57 -2.669 -0.899 -8.780 463 1HG LYS 57 HG2 LYS 57 0.039 -1.449 -7.588 464 2HG LYS 57 HG3 LYS 57 -0.401 -1.818 -9.257 465 1HD LYS 57 HD2 LYS 57 -0.607 0.933 -8.042 466 2HD LYS 57 HD3 LYS 57 0.804 0.360 -8.935 467 1HE LYS 57 HE2 LYS 57 -0.589 -0.018 -10.903 468 2HE LYS 57 HE3 LYS 57 -2.008 0.532 -10.013 469 1HZ LYS 57 HZ2 LYS 57 0.386 2.177 -10.635 470 2HZ LYS 57 HZ1 LYS 57 -1.110 2.278 -11.418 471 3HZ LYS 57 HZ3 LYS 57 -0.979 2.706 -9.786 472 H TYR 58 H TYR 58 -4.433 0.563 -5.825 473 HA TYR 58 HA TYR 58 -5.628 -1.712 -4.516 474 1HB TYR 58 HB2 TYR 58 -5.759 0.647 -3.612 475 2HB TYR 58 HB3 TYR 58 -6.837 1.034 -4.949 476 HD1 TYR 58 HD1 TYR 58 -7.153 0.986 -1.758 477 HD2 TYR 58 HD2 TYR 58 -8.480 -1.511 -4.959 478 HE1 TYR 58 HE1 TYR 58 -9.096 0.267 -0.423 479 HE2 TYR 58 HE2 TYR 58 -10.396 -2.244 -3.626 480 HH TYR 58 HH TYR 58 -11.045 -2.378 -1.256 481 H THR 59 H THR 59 -6.542 -3.213 -5.743 482 HA THR 59 HA THR 59 -8.134 -2.361 -8.074 483 HB THR 59 HB THR 59 -6.918 -5.089 -7.594 484 HG1 THR 59 HG1 THR 59 -5.146 -4.033 -8.148 485 1HG2 THR 59 3HG2 THR 59 -8.881 -5.107 -9.051 486 2HG2 THR 59 2HG2 THR 59 -8.162 -3.846 -10.053 487 3HG2 THR 59 1HG2 THR 59 -7.416 -5.442 -9.972 488 HA PRO 60 HA PRO 60 -11.445 -4.285 -5.710 489 1HB PRO 60 HB2 PRO 60 -13.373 -2.652 -6.522 490 2HB PRO 60 HB3 PRO 60 -12.092 -2.055 -5.467 491 1HG PRO 60 HG2 PRO 60 -12.542 -1.570 -8.354 492 2HG PRO 60 HG3 PRO 60 -11.721 -0.553 -7.157 493 1HD PRO 60 HD2 PRO 60 -10.557 -2.383 -9.037 494 2HD PRO 60 HD3 PRO 60 -9.731 -1.348 -7.855 495 H THR 61 H THR 61 -10.540 -5.652 -7.979 496 HA THR 61 HA THR 61 -12.101 -5.908 -10.189 497 HB THR 61 HB THR 61 -11.496 -8.546 -9.384 498 HG1 THR 61 HG1 THR 61 -9.214 -6.955 -8.966 499 1HG2 THR 61 1HG2 THR 61 -9.966 -6.613 -11.124 500 2HG2 THR 61 3HG2 THR 61 -9.744 -8.362 -11.101 501 3HG2 THR 61 2HG2 THR 61 -11.271 -7.675 -11.651 502 HA PRO 62 HA PRO 62 -16.171 -7.295 -9.269 503 1HB PRO 62 HB2 PRO 62 -15.657 -9.583 -11.111 504 2HB PRO 62 HB3 PRO 62 -16.983 -8.415 -11.110 505 1HG PRO 62 HG2 PRO 62 -15.025 -8.214 -12.893 506 2HG PRO 62 HG3 PRO 62 -15.698 -6.762 -12.128 507 1HD PRO 62 HD2 PRO 62 -13.121 -8.171 -11.582 508 2HD PRO 62 HD3 PRO 62 -13.477 -6.432 -11.588 509 H SER 63 H SER 63 -16.749 -8.256 -7.449 510 HA SER 63 HA SER 63 -15.252 -10.314 -6.212 511 1HB SER 63 HB2 SER 63 -16.539 -8.714 -4.894 512 2HB SER 63 HB3 SER 63 -18.040 -9.294 -5.615 513 HG SER 63 HG SER 63 -17.885 -10.366 -3.721 514 H SER 64 H SER 64 -16.496 -12.326 -5.345 515 HA SER 64 HA SER 64 -17.296 -13.838 -7.674 516 1HB SER 64 HB2 SER 64 -16.993 -14.679 -4.780 517 2HB SER 64 HB3 SER 64 -17.276 -15.772 -6.135 518 HG SER 64 HG SER 64 -14.963 -14.696 -5.272 519 H THR 65 H THR 65 -19.016 -11.702 -6.274 520 HA THR 65 HA THR 65 -21.240 -12.873 -5.073 521 HB THR 65 HB THR 65 -22.489 -10.851 -5.758 522 HG1 THR 65 HG1 THR 65 -21.799 -10.167 -7.673 523 1HG2 THR 65 2HG2 THR 65 -19.683 -10.303 -4.779 524 2HG2 THR 65 1HG2 THR 65 -21.060 -9.214 -4.613 525 3HG2 THR 65 3HG2 THR 65 -21.058 -10.767 -3.777 526 HA PRO 66 HA PRO 66 -23.409 -14.830 -8.383 527 1HB PRO 66 HB2 PRO 66 -25.948 -14.727 -7.539 528 2HB PRO 66 HB3 PRO 66 -24.732 -15.679 -6.674 529 1HG PRO 66 HG2 PRO 66 -25.737 -12.908 -6.079 530 2HG PRO 66 HG3 PRO 66 -25.541 -14.279 -4.966 531 1HD PRO 66 HD2 PRO 66 -23.709 -12.294 -5.181 532 2HD PRO 66 HD3 PRO 66 -23.256 -13.969 -4.807 533 H MET 67 H MET 67 -23.308 -11.658 -8.142 534 HA MET 67 HA MET 67 -24.437 -11.153 -10.674 535 1HB MET 67 HB2 MET 67 -26.554 -11.347 -9.464 536 2HB MET 67 HB3 MET 67 -26.024 -10.114 -8.327 537 1HG MET 67 HG2 MET 67 -27.542 -9.154 -9.922 538 2HG MET 67 HG3 MET 67 -25.926 -8.489 -10.159 539 1HE MET 67 HE3 MET 67 -27.257 -12.032 -11.255 540 2HE MET 67 HE2 MET 67 -28.642 -10.973 -11.516 541 3HE MET 67 HE1 MET 67 -27.811 -11.693 -12.895 542 H VAL 68 H VAL 68 -24.805 -8.838 -8.094 543 HA VAL 68 HA VAL 68 -22.808 -7.134 -9.354 544 HB VAL 68 HB VAL 68 -24.667 -6.514 -7.054 545 1HG1 VAL 68 3HG1 VAL 68 -22.967 -4.715 -8.776 546 2HG1 VAL 68 2HG1 VAL 68 -24.141 -4.168 -7.581 547 3HG1 VAL 68 1HG1 VAL 68 -22.718 -5.074 -7.069 548 1HG2 VAL 68 2HG2 VAL 68 -24.931 -5.895 -9.994 549 2HG2 VAL 68 1HG2 VAL 68 -25.927 -7.016 -9.067 550 3HG2 VAL 68 3HG2 VAL 68 -25.991 -5.288 -8.723 551 H GLY 69 H GLY 69 -20.811 -6.871 -8.606 552 1HA GLY 69 HA3 GLY 69 -19.660 -8.375 -6.601 553 2HA GLY 69 HA2 GLY 69 -20.164 -6.881 -5.827 554 H VAL 70 H VAL 70 -18.373 -5.724 -5.507 555 HA VAL 70 HA VAL 70 -16.362 -5.595 -7.641 556 HB VAL 70 HB VAL 70 -17.439 -3.160 -6.206 557 1HG1 VAL 70 3HG1 VAL 70 -15.394 -3.420 -8.411 558 2HG1 VAL 70 2HG1 VAL 70 -16.034 -1.901 -7.782 559 3HG1 VAL 70 1HG1 VAL 70 -15.077 -2.953 -6.740 560 1HG2 VAL 70 2HG2 VAL 70 -19.046 -4.028 -7.824 561 2HG2 VAL 70 1HG2 VAL 70 -18.351 -2.503 -8.377 562 3HG2 VAL 70 3HG2 VAL 70 -17.800 -4.028 -9.072 563 H GLY 71 H GLY 71 -15.282 -7.069 -6.139 564 1HA GLY 71 HA3 GLY 71 -14.542 -7.067 -3.664 565 2HA GLY 71 HA2 GLY 71 -13.783 -5.552 -4.120 566 H GLY 72 H GLY 72 -11.724 -5.667 -4.712 567 1HA GLY 72 HA3 GLY 72 -10.055 -6.607 -6.209 568 2HA GLY 72 HA2 GLY 72 -10.743 -8.188 -5.892 569 H ILE 73 H ILE 73 -8.161 -6.319 -5.277 570 HA ILE 73 HA ILE 73 -7.764 -7.154 -2.522 571 HB ILE 73 HB ILE 73 -5.552 -8.112 -3.023 572 1HG1 ILE 73 2HG1 ILE 73 -6.307 -8.495 -5.875 573 2HG1 ILE 73 3HG1 ILE 73 -5.593 -6.958 -5.385 574 1HG2 ILE 73 1HG2 ILE 73 -7.555 -9.518 -2.682 575 2HG2 ILE 73 3HG2 ILE 73 -7.729 -9.611 -4.437 576 3HG2 ILE 73 2HG2 ILE 73 -6.291 -10.276 -3.653 577 1HD1 ILE 73 1HD1 ILE 73 -3.683 -8.196 -4.430 578 2HD1 ILE 73 3HD1 ILE 73 -4.385 -9.692 -5.046 579 3HD1 ILE 73 2HD1 ILE 73 -3.868 -8.436 -6.170 580 H TYR 74 H TYR 74 -5.049 -6.658 -2.364 581 HA TYR 74 HA TYR 74 -4.724 -3.893 -3.280 582 1HB TYR 74 HB2 TYR 74 -3.897 -4.696 -0.504 583 2HB TYR 74 HB3 TYR 74 -4.222 -3.086 -1.141 584 HD1 TYR 74 HD1 TYR 74 -6.463 -2.201 -1.195 585 HD2 TYR 74 HD2 TYR 74 -5.763 -6.185 0.115 586 HE1 TYR 74 HE1 TYR 74 -8.751 -2.318 -0.303 587 HE2 TYR 74 HE2 TYR 74 -8.046 -6.303 1.002 588 HH TYR 74 HH TYR 74 -9.805 -4.772 1.773 589 H VAL 75 H VAL 75 -3.104 -4.281 -4.720 590 HA VAL 75 HA VAL 75 -0.899 -6.043 -4.058 591 HB VAL 75 HB VAL 75 -1.487 -4.378 -6.509 592 1HG1 VAL 75 3HG1 VAL 75 0.833 -6.236 -5.994 593 2HG1 VAL 75 2HG1 VAL 75 0.412 -5.551 -7.564 594 3HG1 VAL 75 1HG1 VAL 75 0.914 -4.492 -6.247 595 1HG2 VAL 75 3HG2 VAL 75 -2.912 -6.342 -6.192 596 2HG2 VAL 75 2HG2 VAL 75 -1.847 -6.532 -7.584 597 3HG2 VAL 75 1HG2 VAL 75 -1.479 -7.360 -6.071 598 H VAL 76 H VAL 76 0.428 -5.193 -2.556 599 HA VAL 76 HA VAL 76 1.317 -2.412 -2.905 600 HB VAL 76 HB VAL 76 1.636 -4.167 -0.472 601 1HG1 VAL 76 2HG1 VAL 76 2.098 -1.223 -0.928 602 2HG1 VAL 76 1HG1 VAL 76 2.111 -2.006 0.653 603 3HG1 VAL 76 3HG1 VAL 76 3.314 -2.446 -0.561 604 1HG2 VAL 76 3HG2 VAL 76 -0.728 -3.700 -0.970 605 2HG2 VAL 76 2HG2 VAL 76 -0.188 -2.908 0.510 606 3HG2 VAL 76 1HG2 VAL 76 -0.371 -1.973 -0.973 607 H LEU 77 H LEU 77 3.242 -2.061 -3.763 608 HA LEU 77 HA LEU 77 5.339 -4.109 -3.480 609 1HB LEU 77 HB2 LEU 77 4.926 -1.990 -5.587 610 2HB LEU 77 HB3 LEU 77 6.406 -2.918 -5.439 611 HG LEU 77 HG LEU 77 3.657 -4.050 -6.009 612 1HD1 LEU 77 2HD1 LEU 77 4.563 -2.794 -7.893 613 2HD1 LEU 77 1HD1 LEU 77 6.062 -3.715 -7.797 614 3HD1 LEU 77 3HD1 LEU 77 4.556 -4.524 -8.231 615 1HD2 LEU 77 3HD2 LEU 77 5.374 -5.448 -4.689 616 2HD2 LEU 77 2HD2 LEU 77 4.607 -6.167 -6.107 617 3HD2 LEU 77 1HD2 LEU 77 6.249 -5.533 -6.218 618 H VAL 78 H VAL 78 6.409 -3.522 -1.663 619 HA VAL 78 HA VAL 78 6.987 -0.695 -1.227 620 HB VAL 78 HB VAL 78 8.134 -2.440 0.763 621 1HG1 VAL 78 2HG1 VAL 78 7.640 -0.054 1.067 622 2HG1 VAL 78 1HG1 VAL 78 5.914 -0.388 0.892 623 3HG1 VAL 78 3HG1 VAL 78 6.808 -1.041 2.268 624 1HG2 VAL 78 3HG2 VAL 78 6.396 -4.005 0.088 625 2HG2 VAL 78 2HG2 VAL 78 6.054 -3.338 1.683 626 3HG2 VAL 78 1HG2 VAL 78 5.176 -2.745 0.273 627 H LYS 79 H LYS 79 8.672 0.041 -2.312 628 HA LYS 79 HA LYS 79 11.120 -1.593 -2.421 629 1HB LYS 79 HB2 LYS 79 9.880 0.347 -4.318 630 2HB LYS 79 HB3 LYS 79 11.633 0.217 -4.290 631 1HG LYS 79 HG2 LYS 79 11.405 -2.222 -4.677 632 2HG LYS 79 HG3 LYS 79 9.656 -1.989 -4.857 633 1HD LYS 79 HD2 LYS 79 11.757 -0.610 -6.533 634 2HD LYS 79 HD3 LYS 79 10.890 -2.069 -7.018 635 1HE LYS 79 HE2 LYS 79 9.643 0.604 -6.387 636 2HE LYS 79 HE3 LYS 79 9.888 -0.067 -7.999 637 1HZ LYS 79 HZ2 LYS 79 8.411 -1.894 -7.420 638 2HZ LYS 79 HZ1 LYS 79 8.169 -1.239 -5.879 639 3HZ LYS 79 HZ3 LYS 79 7.624 -0.407 -7.247 640 HA PRO 80 HA PRO 80 12.225 1.618 0.681 641 1HB PRO 80 HB2 PRO 80 14.690 0.338 1.092 642 2HB PRO 80 HB3 PRO 80 13.240 0.178 2.084 643 1HG PRO 80 HG2 PRO 80 14.281 -1.607 -0.055 644 2HG PRO 80 HG3 PRO 80 13.392 -2.020 1.422 645 1HD PRO 80 HD2 PRO 80 12.214 -2.056 -0.990 646 2HD PRO 80 HD3 PRO 80 11.337 -1.544 0.468 647 H ARG 81 H ARG 81 12.593 3.364 -0.593 648 HA ARG 81 HA ARG 81 14.515 3.523 -2.645 649 1HB ARG 81 HB2 ARG 81 12.674 5.330 -1.310 650 2HB ARG 81 HB3 ARG 81 14.194 6.119 -1.701 651 1HG ARG 81 HG2 ARG 81 13.946 5.629 -4.013 652 2HG ARG 81 HG3 ARG 81 12.568 4.572 -3.698 653 1HD ARG 81 HD2 ARG 81 11.234 6.436 -2.978 654 2HD ARG 81 HD3 ARG 81 12.617 7.525 -3.102 655 HE ARG 81 HE ARG 81 12.327 6.456 -5.609 656 1HH1 ARG 81 1HH1 ARG 81 10.296 8.252 -3.421 657 2HH1 ARG 81 2HH1 ARG 81 9.393 9.018 -4.685 658 1HH2 ARG 81 1HH2 ARG 81 11.144 7.460 -7.278 659 2HH2 ARG 81 2HH2 ARG 81 9.874 8.568 -6.877 660 H LYS 82 H LYS 82 14.656 3.981 0.792 661 HA LYS 82 HA LYS 82 17.542 4.523 0.591 662 1HB LYS 82 HB2 LYS 82 15.792 5.582 2.807 663 2HB LYS 82 HB3 LYS 82 17.437 6.051 2.408 664 1HG LYS 82 HG2 LYS 82 16.640 7.074 0.332 665 2HG LYS 82 HG3 LYS 82 14.989 6.611 0.749 666 1HD LYS 82 HD2 LYS 82 15.160 7.971 2.802 667 2HD LYS 82 HD3 LYS 82 16.771 8.487 2.297 668 1HE LYS 82 HE2 LYS 82 15.819 9.477 0.273 669 2HE LYS 82 HE3 LYS 82 14.209 8.960 0.774 670 1HZ LYS 82 HZ2 LYS 82 14.407 10.372 2.727 671 2HZ LYS 82 HZ1 LYS 82 15.947 10.871 2.241 672 3HZ LYS 82 HZ3 LYS 82 14.593 11.278 1.312 673 H ARG 83 H ARG 83 18.422 4.205 3.050 674 HA ARG 83 HA ARG 83 17.402 1.585 3.928 675 1HB ARG 83 HB2 ARG 83 19.860 1.313 4.743 676 2HB ARG 83 HB3 ARG 83 19.471 1.044 3.050 677 1HG ARG 83 HG2 ARG 83 20.203 3.349 2.553 678 2HG ARG 83 HG3 ARG 83 20.684 3.528 4.242 679 1HD ARG 83 HD2 ARG 83 22.225 1.628 3.975 680 2HD ARG 83 HD3 ARG 83 21.771 1.522 2.275 681 HE ARG 83 HE ARG 83 22.632 4.122 2.733 682 1HH1 ARG 83 1HH1 ARG 83 23.950 0.898 2.817 683 2HH1 ARG 83 2HH1 ARG 83 25.556 1.406 2.410 684 1HH2 ARG 83 1HH2 ARG 83 24.741 4.799 2.196 685 2HH2 ARG 83 2HH2 ARG 83 26.006 3.623 2.058 686 H GLY 84 H GLY 84 17.128 1.231 6.088 687 1HA GLY 84 HA3 GLY 84 16.967 3.570 7.764 688 2HA GLY 84 HA2 GLY 84 18.231 2.452 8.254 689 H HIS 85 H HIS 85 15.125 3.324 8.818 690 HA HIS 85 HA HIS 85 14.421 0.642 9.824 691 1HB HIS 85 HB2 HIS 85 13.732 3.343 10.991 692 2HB HIS 85 HB3 HIS 85 13.205 1.792 11.635 693 HD1 HIS 85 HD1 HIS 85 15.970 4.190 11.735 694 HD2 HIS 85 HD2 HIS 85 15.371 0.196 12.710 695 HE1 HIS 85 HE1 HIS 85 17.910 3.559 13.206 696 HE2 HIS 85 HE2 HIS 85 17.571 1.114 13.715 697 H HIS 86 H HIS 86 13.773 1.782 7.229 698 HA HIS 86 HA HIS 86 11.296 2.876 6.892 699 1HB HIS 86 HB2 HIS 86 12.480 0.633 5.243 700 2HB HIS 86 HB3 HIS 86 11.198 1.724 4.729 701 HD1 HIS 86 HD1 HIS 86 13.879 3.380 6.607 702 HD2 HIS 86 HD2 HIS 86 13.032 2.471 2.642 703 HE1 HIS 86 HE1 HIS 86 15.413 4.831 5.243 704 HE2 HIS 86 HE2 HIS 86 14.796 4.348 2.848 705 H THR 87 H THR 87 9.192 2.059 6.521 706 HA THR 87 HA THR 87 8.574 -0.690 7.130 707 HB THR 87 HB THR 87 7.673 1.495 9.013 708 HG1 THR 87 HG1 THR 87 9.670 0.730 9.626 709 1HG2 THR 87 2HG2 THR 87 5.841 -0.055 8.517 710 2HG2 THR 87 1HG2 THR 87 6.881 -1.420 8.922 711 3HG2 THR 87 3HG2 THR 87 6.421 -0.263 10.170 712 H LEU 88 H LEU 88 6.586 -1.310 6.380 713 HA LEU 88 HA LEU 88 5.188 0.646 4.731 714 1HB LEU 88 HB2 LEU 88 5.746 -1.389 3.614 715 2HB LEU 88 HB3 LEU 88 5.065 -2.354 4.904 716 HG LEU 88 HG LEU 88 2.810 -1.393 4.300 717 1HD1 LEU 88 1HD1 LEU 88 3.628 0.571 3.088 718 2HD1 LEU 88 3HD1 LEU 88 4.300 -0.483 1.844 719 3HD1 LEU 88 2HD1 LEU 88 2.555 -0.414 2.093 720 1HD2 LEU 88 3HD2 LEU 88 4.285 -3.023 2.242 721 2HD2 LEU 88 2HD2 LEU 88 3.430 -3.636 3.655 722 3HD2 LEU 88 1HD2 LEU 88 2.533 -2.866 2.347 723 H GLU 89 H GLU 89 4.058 1.813 6.274 724 HA GLU 89 HA GLU 89 2.422 0.595 8.247 725 1HB GLU 89 HB2 GLU 89 2.614 3.392 7.155 726 2HB GLU 89 HB3 GLU 89 1.460 2.947 8.405 727 1HG GLU 89 HG2 GLU 89 3.248 2.260 9.855 728 2HG GLU 89 HG3 GLU 89 4.439 2.617 8.607 729 H LEU 90 H LEU 90 0.943 -0.807 7.367 730 HA LEU 90 HA LEU 90 -1.033 0.394 5.542 731 1HB LEU 90 HB2 LEU 90 -0.155 -2.459 5.895 732 2HB LEU 90 HB3 LEU 90 -1.681 -2.061 5.133 733 HG LEU 90 HG LEU 90 1.068 -1.275 4.163 734 1HD1 LEU 90 3HD1 LEU 90 -1.008 -3.165 3.073 735 2HD1 LEU 90 2HD1 LEU 90 0.468 -2.691 2.235 736 3HD1 LEU 90 1HD1 LEU 90 0.564 -3.596 3.745 737 1HD2 LEU 90 1HD2 LEU 90 -1.653 -0.613 3.047 738 2HD2 LEU 90 3HD2 LEU 90 -0.466 0.523 3.687 739 3HD2 LEU 90 2HD2 LEU 90 -0.127 -0.363 2.201 740 H VAL 91 H VAL 91 -3.152 0.407 6.086 741 HA VAL 91 HA VAL 91 -4.010 -0.959 8.520 742 HB VAL 91 HB VAL 91 -3.198 1.212 9.293 743 1HG1 VAL 91 3HG1 VAL 91 -5.118 2.323 7.249 744 2HG1 VAL 91 2HG1 VAL 91 -4.387 3.282 8.540 745 3HG1 VAL 91 1HG1 VAL 91 -3.364 2.530 7.313 746 1HG2 VAL 91 1HG2 VAL 91 -6.207 0.989 9.317 747 2HG2 VAL 91 3HG2 VAL 91 -5.084 0.276 10.475 748 3HG2 VAL 91 2HG2 VAL 91 -5.260 2.027 10.381 749 H TYR 92 H TYR 92 -6.320 -1.011 8.778 750 HA TYR 92 HA TYR 92 -7.765 -0.841 6.241 751 1HB TYR 92 HB2 TYR 92 -7.713 -2.879 7.912 752 2HB TYR 92 HB3 TYR 92 -8.936 -1.951 8.770 753 HD1 TYR 92 HD1 TYR 92 -10.791 -3.376 8.484 754 HD2 TYR 92 HD2 TYR 92 -8.556 -2.131 5.083 755 HE1 TYR 92 HE1 TYR 92 -12.525 -4.307 7.011 756 HE2 TYR 92 HE2 TYR 92 -10.287 -3.056 3.602 757 HH TYR 92 HH TYR 92 -13.347 -4.005 4.713 758 H THR 93 H THR 93 -8.176 1.375 6.085 759 HA THR 93 HA THR 93 -9.879 2.523 8.209 760 HB THR 93 HB THR 93 -7.817 3.695 8.264 761 HG1 THR 93 HG1 THR 93 -9.492 5.308 6.628 762 1HG2 THR 93 3HG2 THR 93 -8.089 3.898 5.264 763 2HG2 THR 93 2HG2 THR 93 -6.892 4.783 6.214 764 3HG2 THR 93 1HG2 THR 93 -6.853 3.019 6.167 765 H ARG 94 H ARG 94 -11.553 3.924 7.608 766 HA ARG 94 HA ARG 94 -12.660 3.413 4.973 767 1HB ARG 94 HB2 ARG 94 -13.806 5.017 7.265 768 2HB ARG 94 HB3 ARG 94 -14.669 4.512 5.820 769 1HG ARG 94 HG2 ARG 94 -14.352 2.163 6.482 770 2HG ARG 94 HG3 ARG 94 -13.562 2.714 7.961 771 1HD ARG 94 HD2 ARG 94 -15.908 2.157 8.357 772 2HD ARG 94 HD3 ARG 94 -15.591 3.869 8.640 773 HE ARG 94 HE ARG 94 -16.481 3.434 5.983 774 1HH1 ARG 94 1HH1 ARG 94 -17.606 3.581 9.279 775 2HH1 ARG 94 2HH1 ARG 94 -19.212 4.061 8.844 776 1HH2 ARG 94 1HH2 ARG 94 -18.593 4.067 5.403 777 2HH2 ARG 94 2HH2 ARG 94 -19.773 4.337 6.641 778 HA PRO 95 HA PRO 95 -10.555 7.248 3.619 779 1HB PRO 95 HB2 PRO 95 -11.763 6.971 1.084 780 2HB PRO 95 HB3 PRO 95 -10.123 6.507 1.530 781 1HG PRO 95 HG2 PRO 95 -12.550 4.832 1.271 782 2HG PRO 95 HG3 PRO 95 -10.851 4.399 1.021 783 1HD PRO 95 HD2 PRO 95 -12.235 3.604 3.185 784 2HD PRO 95 HD3 PRO 95 -10.504 3.976 3.245 785 H PHE 96 H PHE 96 -13.909 6.292 3.283 786 HA PHE 96 HA PHE 96 -14.913 8.854 2.612 787 1HB PHE 96 HB2 PHE 96 -16.269 6.413 3.765 788 2HB PHE 96 HB3 PHE 96 -17.094 7.815 3.114 789 HD1 PHE 96 HD1 PHE 96 -14.851 5.022 2.236 790 HD2 PHE 96 HD2 PHE 96 -17.480 8.048 0.806 791 HE1 PHE 96 HE1 PHE 96 -14.774 4.020 -0.009 792 HE2 PHE 96 HE2 PHE 96 -17.411 7.050 -1.442 793 HZ PHE 96 HZ PHE 96 -16.057 5.034 -1.853 794 H GLU 97 H GLU 97 -14.291 7.160 5.618 795 HA GLU 97 HA GLU 97 -15.428 9.422 7.120 796 1HB GLU 97 HB2 GLU 97 -14.810 6.607 8.036 797 2HB GLU 97 HB3 GLU 97 -15.437 7.885 9.068 798 1HG GLU 97 HG2 GLU 97 -16.826 6.715 6.666 799 2HG GLU 97 HG3 GLU 97 -17.194 6.359 8.353 800 H GLY 98 H GLY 98 -12.966 7.038 8.032 801 1HA GLY 98 HA3 GLY 98 -11.402 8.958 9.418 802 2HA GLY 98 HA2 GLY 98 -10.685 8.620 7.849 803 H ILE 99 H ILE 99 -9.073 8.045 9.737 804 HA ILE 99 HA ILE 99 -9.058 5.130 9.802 805 HB ILE 99 HB ILE 99 -6.823 6.893 10.735 806 1HG1 ILE 99 2HG1 ILE 99 -7.089 5.954 7.891 807 2HG1 ILE 99 3HG1 ILE 99 -7.749 7.508 8.397 808 1HG2 ILE 99 2HG2 ILE 99 -7.203 4.059 9.976 809 2HG2 ILE 99 1HG2 ILE 99 -5.675 4.810 9.504 810 3HG2 ILE 99 3HG2 ILE 99 -6.155 4.776 11.201 811 1HD1 ILE 99 2HD1 ILE 99 -5.524 8.196 9.128 812 2HD1 ILE 99 1HD1 ILE 99 -4.873 6.646 8.600 813 3HD1 ILE 99 3HD1 ILE 99 -5.550 7.766 7.417 814 H LYS 100 H LYS 100 -8.591 3.954 11.711 815 HA LYS 100 HA LYS 100 -8.836 5.370 14.251 816 1HB LYS 100 HB2 LYS 100 -10.564 2.966 13.904 817 2HB LYS 100 HB3 LYS 100 -10.781 4.360 14.954 818 1HG LYS 100 HG2 LYS 100 -11.403 5.725 13.038 819 2HG LYS 100 HG3 LYS 100 -11.180 4.337 11.972 820 1HD LYS 100 HD2 LYS 100 -13.196 3.517 12.471 821 2HD LYS 100 HD3 LYS 100 -12.930 3.727 14.205 822 1HE LYS 100 HE2 LYS 100 -13.495 6.107 13.981 823 2HE LYS 100 HE3 LYS 100 -13.819 5.858 12.264 824 1HZ LYS 100 HZ1 LYS 100 -15.270 4.552 14.505 825 2HZ LYS 100 HZ3 LYS 100 -15.856 5.826 13.558 826 3HZ LYS 100 HZ2 LYS 100 -15.579 4.311 12.860 827 HA PRO 101 HA PRO 101 -5.910 2.403 15.682 828 1HB PRO 101 HB2 PRO 101 -7.344 2.251 18.251 829 2HB PRO 101 HB3 PRO 101 -5.715 2.837 17.908 830 1HG PRO 101 HG2 PRO 101 -7.700 4.517 18.559 831 2HG PRO 101 HG3 PRO 101 -6.447 4.968 17.388 832 1HD PRO 101 HD2 PRO 101 -9.256 4.042 16.899 833 2HD PRO 101 HD3 PRO 101 -8.341 5.337 16.098 834 H GLU 102 H GLU 102 -9.207 1.649 16.789 835 HA GLU 102 HA GLU 102 -8.847 -1.070 17.245 836 1HB GLU 102 HB2 GLU 102 -11.314 -1.242 16.979 837 2HB GLU 102 HB3 GLU 102 -10.798 0.042 18.068 838 1HG GLU 102 HG2 GLU 102 -11.094 1.670 16.292 839 2HG GLU 102 HG3 GLU 102 -11.605 0.388 15.198 840 H ASN 103 H ASN 103 -8.856 0.589 14.293 841 HA ASN 103 HA ASN 103 -9.960 -1.411 12.612 842 1HB ASN 103 HB2 ASN 103 -8.006 0.801 11.964 843 2HB ASN 103 HB3 ASN 103 -8.883 -0.160 10.779 844 1HD2 ASN 103 1HD2 ASN 103 -11.251 -0.186 12.630 845 2HD2 ASN 103 2HD2 ASN 103 -11.987 1.359 12.406 846 H GLU 104 H GLU 104 -8.798 -2.679 11.015 847 HA GLU 104 HA GLU 104 -6.890 -4.368 12.113 848 1HB GLU 104 HB2 GLU 104 -8.430 -4.437 9.900 849 2HB GLU 104 HB3 GLU 104 -6.875 -4.073 9.167 850 1HG GLU 104 HG2 GLU 104 -5.926 -6.064 9.898 851 2HG GLU 104 HG3 GLU 104 -7.180 -6.328 11.109 852 H ARG 105 H ARG 105 -4.675 -4.723 11.481 853 HA ARG 105 HA ARG 105 -3.268 -2.286 10.611 854 1HB ARG 105 HB2 ARG 105 -3.171 -2.526 13.085 855 2HB ARG 105 HB3 ARG 105 -2.421 -4.098 12.879 856 1HG ARG 105 HG2 ARG 105 -0.545 -2.866 13.215 857 2HG ARG 105 HG3 ARG 105 -0.697 -2.674 11.464 858 1HD ARG 105 HD2 ARG 105 -0.286 -0.529 12.529 859 2HD ARG 105 HD3 ARG 105 -1.881 -0.572 11.773 860 HE ARG 105 HE ARG 105 -2.255 -1.341 14.392 861 1HH1 ARG 105 1HH1 ARG 105 -1.057 1.470 12.717 862 2HH1 ARG 105 2HH1 ARG 105 -1.563 2.580 13.948 863 1HH2 ARG 105 1HH2 ARG 105 -2.925 0.113 16.018 864 2HH2 ARG 105 2HH2 ARG 105 -2.624 1.808 15.824 865 H TYR 106 H TYR 106 -1.065 -2.695 9.853 866 HA TYR 106 HA TYR 106 0.009 -5.255 9.451 867 1HB TYR 106 HB2 TYR 106 -1.893 -5.433 7.857 868 2HB TYR 106 HB3 TYR 106 -1.234 -4.062 6.962 869 HD1 TYR 106 HD1 TYR 106 0.664 -4.341 5.505 870 HD2 TYR 106 HD2 TYR 106 -0.724 -7.590 7.873 871 HE1 TYR 106 HE1 TYR 106 2.056 -5.886 4.193 872 HE2 TYR 106 HE2 TYR 106 0.666 -9.143 6.570 873 HH TYR 106 HH TYR 106 1.711 -9.257 4.348 874 H THR 107 H THR 107 1.553 -3.780 10.431 875 HA THR 107 HA THR 107 2.793 -1.852 8.621 876 HB THR 107 HB THR 107 4.094 -2.136 11.200 877 HG1 THR 107 HG1 THR 107 1.349 -1.376 11.257 878 1HG2 THR 107 2HG2 THR 107 4.201 -0.187 9.632 879 2HG2 THR 107 1HG2 THR 107 2.528 0.174 10.053 880 3HG2 THR 107 3HG2 THR 107 3.783 0.240 11.291 881 H LEU 108 H LEU 108 3.828 -3.273 7.162 882 HA LEU 108 HA LEU 108 5.553 -5.356 8.041 883 1HB LEU 108 HB2 LEU 108 4.694 -5.580 5.861 884 2HB LEU 108 HB3 LEU 108 5.176 -3.962 5.410 885 HG LEU 108 HG LEU 108 7.515 -4.624 5.363 886 1HD1 LEU 108 2HD1 LEU 108 7.464 -6.269 7.165 887 2HD1 LEU 108 1HD1 LEU 108 6.526 -7.363 6.147 888 3HD1 LEU 108 3HD1 LEU 108 8.181 -6.946 5.702 889 1HD2 LEU 108 3HD2 LEU 108 6.153 -4.931 3.348 890 2HD2 LEU 108 2HD2 LEU 108 7.448 -6.123 3.462 891 3HD2 LEU 108 1HD2 LEU 108 5.791 -6.581 3.854 892 H HIS 109 H HIS 109 6.980 -4.530 9.535 893 HA HIS 109 HA HIS 109 8.587 -2.231 9.010 894 1HB HIS 109 HB2 HIS 109 8.515 -4.299 11.152 895 2HB HIS 109 HB3 HIS 109 9.909 -3.236 11.019 896 HD1 HIS 109 HD1 HIS 109 9.671 -0.920 11.959 897 HD2 HIS 109 HD2 HIS 109 6.038 -2.917 11.677 898 HE1 HIS 109 HE1 HIS 109 8.002 0.548 13.137 899 HE2 HIS 109 HE2 HIS 109 5.826 -0.716 13.019 900 H LEU 110 H LEU 110 10.718 -2.105 8.476 901 HA LEU 110 HA LEU 110 12.122 -4.512 7.637 902 1HB LEU 110 HB2 LEU 110 11.572 -2.180 5.800 903 2HB LEU 110 HB3 LEU 110 12.641 -3.517 5.430 904 HG LEU 110 HG LEU 110 9.663 -3.763 5.905 905 1HD1 LEU 110 1HD1 LEU 110 10.137 -2.525 3.863 906 2HD1 LEU 110 3HD1 LEU 110 11.235 -3.800 3.333 907 3HD1 LEU 110 2HD1 LEU 110 9.510 -4.132 3.494 908 1HD2 LEU 110 1HD2 LEU 110 11.055 -5.763 6.458 909 2HD2 LEU 110 3HD2 LEU 110 9.876 -6.019 5.172 910 3HD2 LEU 110 2HD2 LEU 110 11.578 -5.790 4.774 911 H ASN 111 H ASN 111 13.991 -4.338 8.711 912 HA ASN 111 HA ASN 111 15.161 -1.754 9.275 913 1HB ASN 111 HB2 ASN 111 15.198 -3.649 10.920 914 2HB ASN 111 HB3 ASN 111 16.291 -4.504 9.839 915 1HD2 ASN 111 1HD2 ASN 111 18.409 -3.855 9.669 916 2HD2 ASN 111 2HD2 ASN 111 19.131 -2.719 10.751 917 H VAL 112 H VAL 112 15.077 -1.646 6.771 918 HA VAL 112 HA VAL 112 16.622 -2.877 4.961 919 HB VAL 112 HB VAL 112 16.799 0.110 5.007 920 1HG1 VAL 112 2HG1 VAL 112 17.755 -1.169 3.143 921 2HG1 VAL 112 1HG1 VAL 112 16.168 -1.871 2.828 922 3HG1 VAL 112 3HG1 VAL 112 16.421 -0.138 2.623 923 1HG2 VAL 112 2HG2 VAL 112 14.280 -1.493 4.617 924 2HG2 VAL 112 1HG2 VAL 112 14.567 -0.189 5.769 925 3HG2 VAL 112 3HG2 VAL 112 14.478 0.163 4.043 926 H LYS 113 H LYS 113 18.722 -3.180 4.493 927 HA LYS 113 HA LYS 113 20.703 -2.519 6.434 928 1HB LYS 113 HB2 LYS 113 20.977 -3.701 3.665 929 2HB LYS 113 HB3 LYS 113 22.270 -3.608 4.852 930 1HG LYS 113 HG2 LYS 113 19.691 -5.098 5.265 931 2HG LYS 113 HG3 LYS 113 21.201 -5.830 4.717 932 1HD LYS 113 HD2 LYS 113 22.297 -5.122 6.786 933 2HD LYS 113 HD3 LYS 113 20.789 -4.384 7.333 934 1HE LYS 113 HE2 LYS 113 21.108 -6.566 8.360 935 2HE LYS 113 HE3 LYS 113 19.703 -6.570 7.296 936 1HZ LYS 113 HZ2 LYS 113 21.043 -7.637 5.590 937 2HZ LYS 113 HZ1 LYS 113 22.390 -7.633 6.612 938 3HZ LYS 113 HZ3 LYS 113 21.031 -8.562 7.006 No H/Q in entry = 938 Start of MODEL 7 1 H1 GLY -2 HT1 GLY -2 -8.158 -14.795 29.373 2 H2 GLY -2 HT3 GLY -2 -7.897 -14.801 31.044 3 H3 GLY -2 HT2 GLY -2 -7.625 -16.204 30.141 4 1HA GLY -2 HA2 GLY -2 -9.699 -16.378 31.355 5 2HA GLY -2 HA3 GLY -2 -9.968 -16.379 29.618 6 H SER -1 H SER -1 -9.210 -13.372 29.813 7 HA SER -1 HA SER -1 -11.683 -12.368 31.014 8 1HB SER -1 HB2 SER -1 -10.651 -10.135 30.761 9 2HB SER -1 HB3 SER -1 -9.619 -11.233 31.676 10 HG SER -1 HG SER -1 -8.521 -11.627 29.631 11 H HIS 0 H HIS 0 -13.391 -12.199 29.733 12 HA HIS 0 HA HIS 0 -13.004 -11.821 26.856 13 1HB HIS 0 HB2 HIS 0 -14.449 -13.683 27.596 14 2HB HIS 0 HB3 HIS 0 -15.510 -12.529 28.398 15 HD1 HIS 0 HD1 HIS 0 -14.624 -13.884 25.045 16 HD2 HIS 0 HD2 HIS 0 -17.166 -11.031 26.680 17 HE1 HIS 0 HE1 HIS 0 -16.217 -13.266 23.200 18 HE2 HIS 0 HE2 HIS 0 -17.689 -11.475 24.186 19 H MET 1 H MET 1 -13.140 -9.846 26.044 20 HA MET 1 HA MET 1 -15.020 -7.939 27.255 21 1HB MET 1 HB2 MET 1 -12.203 -7.313 26.355 22 2HB MET 1 HB3 MET 1 -13.382 -6.128 26.898 23 1HG MET 1 HG2 MET 1 -13.425 -7.174 29.103 24 2HG MET 1 HG3 MET 1 -12.246 -8.368 28.558 25 1HE MET 1 HE1 MET 1 -12.897 -4.585 29.366 26 2HE MET 1 HE3 MET 1 -11.344 -3.859 28.958 27 3HE MET 1 HE2 MET 1 -12.365 -4.526 27.686 28 H ILE 2 H ILE 2 -15.139 -5.915 25.709 29 HA ILE 2 HA ILE 2 -15.813 -6.991 23.075 30 HB ILE 2 HB ILE 2 -16.547 -4.351 24.350 31 1HG1 ILE 2 2HG1 ILE 2 -18.886 -5.450 24.172 32 2HG1 ILE 2 3HG1 ILE 2 -18.000 -6.963 24.003 33 1HG2 ILE 2 2HG2 ILE 2 -17.410 -5.547 21.720 34 2HG2 ILE 2 1HG2 ILE 2 -18.097 -4.097 22.453 35 3HG2 ILE 2 3HG2 ILE 2 -16.408 -4.113 21.945 36 1HD1 ILE 2 3HD1 ILE 2 -17.763 -5.072 26.329 37 2HD1 ILE 2 2HD1 ILE 2 -18.733 -6.545 26.300 38 3HD1 ILE 2 1HD1 ILE 2 -16.977 -6.642 26.166 39 H ALA 3 H ALA 3 -13.684 -4.724 24.643 40 HA ALA 3 HA ALA 3 -12.896 -3.135 22.507 41 1HB ALA 3 HB1 ALA 3 -10.851 -2.715 23.763 42 2HB ALA 3 HB2 ALA 3 -11.185 -4.107 24.793 43 3HB ALA 3 HB3 ALA 3 -12.256 -2.707 24.831 44 HA PRO 4 HA PRO 4 -10.644 -5.563 19.602 45 1HB PRO 4 HB2 PRO 4 -8.415 -3.611 19.910 46 2HB PRO 4 HB3 PRO 4 -9.242 -4.153 18.446 47 1HG PRO 4 HG2 PRO 4 -9.740 -1.748 19.472 48 2HG PRO 4 HG3 PRO 4 -11.046 -2.730 18.781 49 1HD PRO 4 HD2 PRO 4 -10.370 -2.213 21.644 50 2HD PRO 4 HD3 PRO 4 -11.959 -2.386 20.872 51 H LEU 5 H LEU 5 -9.345 -7.304 19.712 52 HA LEU 5 HA LEU 5 -7.673 -7.604 22.100 53 1HB LEU 5 HB2 LEU 5 -8.641 -9.675 20.128 54 2HB LEU 5 HB3 LEU 5 -7.706 -10.008 21.572 55 HG LEU 5 HG LEU 5 -10.495 -8.846 21.527 56 1HD1 LEU 5 2HD1 LEU 5 -9.522 -11.604 22.260 57 2HD1 LEU 5 1HD1 LEU 5 -11.175 -11.012 22.433 58 3HD1 LEU 5 3HD1 LEU 5 -10.461 -11.178 20.829 59 1HD2 LEU 5 2HD2 LEU 5 -8.746 -9.712 23.825 60 2HD2 LEU 5 1HD2 LEU 5 -9.224 -8.060 23.439 61 3HD2 LEU 5 3HD2 LEU 5 -10.438 -9.233 23.950 62 H SER 6 H SER 6 -5.757 -9.240 21.598 63 HA SER 6 HA SER 6 -4.217 -7.989 19.430 64 1HB SER 6 HB2 SER 6 -2.214 -8.754 20.665 65 2HB SER 6 HB3 SER 6 -3.244 -7.721 21.657 66 HG SER 6 HG SER 6 -2.582 -10.364 21.971 67 H VAL 7 H VAL 7 -6.068 -10.569 19.744 68 HA VAL 7 HA VAL 7 -4.256 -12.585 18.691 69 HB VAL 7 HB VAL 7 -7.238 -12.900 18.912 70 1HG1 VAL 7 3HG1 VAL 7 -4.930 -14.829 19.143 71 2HG1 VAL 7 2HG1 VAL 7 -6.633 -15.249 19.333 72 3HG1 VAL 7 1HG1 VAL 7 -6.035 -14.673 17.777 73 1HG2 VAL 7 1HG2 VAL 7 -5.238 -13.213 21.149 74 2HG2 VAL 7 3HG2 VAL 7 -6.514 -11.999 21.049 75 3HG2 VAL 7 2HG2 VAL 7 -6.931 -13.705 21.211 76 H LYS 8 H LYS 8 -5.221 -10.021 17.261 77 HA LYS 8 HA LYS 8 -6.591 -11.090 14.954 78 1HB LYS 8 HB2 LYS 8 -5.474 -8.323 15.382 79 2HB LYS 8 HB3 LYS 8 -6.650 -8.810 14.175 80 1HG LYS 8 HG2 LYS 8 -8.356 -9.036 15.743 81 2HG LYS 8 HG3 LYS 8 -7.223 -9.108 17.095 82 1HD LYS 8 HD2 LYS 8 -8.101 -6.960 17.250 83 2HD LYS 8 HD3 LYS 8 -6.575 -6.717 16.398 84 1HE LYS 8 HE2 LYS 8 -9.263 -6.985 15.059 85 2HE LYS 8 HE3 LYS 8 -8.474 -5.451 15.422 86 1HZ LYS 8 HZ3 LYS 8 -6.598 -6.188 14.021 87 2HZ LYS 8 HZ2 LYS 8 -7.481 -7.567 13.594 88 3HZ LYS 8 HZ1 LYS 8 -8.046 -6.035 13.159 89 H ASP 9 H ASP 9 -3.493 -9.752 15.799 90 HA ASP 9 HA ASP 9 -1.439 -9.808 14.848 91 1HB ASP 9 HB2 ASP 9 -1.641 -12.189 14.921 92 2HB ASP 9 HB3 ASP 9 -2.669 -12.203 13.494 93 H ASN 10 H ASN 10 -0.449 -8.660 13.262 94 HA ASN 10 HA ASN 10 -2.123 -7.868 11.003 95 1HB ASN 10 HB2 ASN 10 -0.229 -6.089 10.818 96 2HB ASN 10 HB3 ASN 10 -1.492 -5.904 12.022 97 1HD2 ASN 10 1HD2 ASN 10 -0.196 -4.642 13.337 98 2HD2 ASN 10 2HD2 ASN 10 1.115 -5.295 14.251 99 H ASP 11 H ASP 11 1.348 -7.538 11.036 100 HA ASP 11 HA ASP 11 1.529 -9.535 8.888 101 1HB ASP 11 HB2 ASP 11 1.501 -7.297 7.893 102 2HB ASP 11 HB3 ASP 11 2.870 -6.826 8.895 103 H LYS 12 H LYS 12 4.398 -7.813 9.323 104 HA LYS 12 HA LYS 12 5.470 -9.349 11.485 105 1HB LYS 12 HB2 LYS 12 5.610 -11.129 9.964 106 2HB LYS 12 HB3 LYS 12 6.032 -10.066 8.627 107 1HG LYS 12 HG2 LYS 12 8.212 -9.664 9.640 108 2HG LYS 12 HG3 LYS 12 7.801 -10.763 10.959 109 1HD LYS 12 HD2 LYS 12 9.142 -11.959 9.367 110 2HD LYS 12 HD3 LYS 12 7.490 -12.571 9.278 111 1HE LYS 12 HE2 LYS 12 7.077 -11.186 7.309 112 2HE LYS 12 HE3 LYS 12 8.721 -10.554 7.403 113 1HZ LYS 12 HZ1 LYS 12 7.986 -13.396 6.945 114 2HZ LYS 12 HZ3 LYS 12 8.545 -12.318 5.766 115 3HZ LYS 12 HZ2 LYS 12 9.562 -12.788 7.032 116 H TRP 13 H TRP 13 7.563 -8.679 12.082 117 HA TRP 13 HA TRP 13 8.393 -6.133 10.893 118 1HB TRP 13 HB2 TRP 13 9.004 -7.304 13.621 119 2HB TRP 13 HB3 TRP 13 9.464 -5.706 13.061 120 HD1 TRP 13 HD1 TRP 13 5.944 -7.245 12.642 121 HE1 TRP 13 HE1 TRP 13 4.257 -5.754 13.878 122 HE3 TRP 13 HE3 TRP 13 9.205 -3.976 14.847 123 HZ2 TRP 13 HZ2 TRP 13 4.288 -3.500 15.561 124 HZ3 TRP 13 HZ3 TRP 13 8.289 -2.184 16.262 125 HH2 TRP 13 HH2 TRP 13 5.883 -1.952 16.613 126 H VAL 14 H VAL 14 10.163 -6.259 9.545 127 HA VAL 14 HA VAL 14 12.392 -7.966 10.376 128 HB VAL 14 HB VAL 14 12.598 -8.995 8.121 129 1HG1 VAL 14 2HG1 VAL 14 10.096 -9.647 9.668 130 2HG1 VAL 14 1HG1 VAL 14 10.854 -10.699 8.471 131 3HG1 VAL 14 3HG1 VAL 14 11.712 -10.291 9.957 132 1HG2 VAL 14 3HG2 VAL 14 11.244 -7.411 6.866 133 2HG2 VAL 14 2HG2 VAL 14 10.634 -9.054 6.662 134 3HG2 VAL 14 1HG2 VAL 14 9.803 -7.933 7.740 135 H ASP 15 H ASP 15 14.022 -7.938 8.334 136 HA ASP 15 HA ASP 15 14.619 -5.098 7.935 137 1HB ASP 15 HB2 ASP 15 16.906 -5.739 7.704 138 2HB ASP 15 HB3 ASP 15 16.263 -6.619 9.090 139 H THR 16 H THR 16 16.297 -5.125 5.795 140 HA THR 16 HA THR 16 15.424 -6.643 3.580 141 HB THR 16 HB THR 16 13.413 -5.078 4.096 142 HG1 THR 16 HG1 THR 16 13.066 -4.905 1.796 143 1HG2 THR 16 3HG2 THR 16 14.737 -3.015 4.299 144 2HG2 THR 16 2HG2 THR 16 15.213 -3.166 2.608 145 3HG2 THR 16 1HG2 THR 16 13.522 -2.895 3.027 146 H HIS 17 H HIS 17 15.971 -5.380 1.439 147 HA HIS 17 HA HIS 17 18.579 -4.075 1.845 148 1HB HIS 17 HB2 HIS 17 17.544 -5.622 -0.546 149 2HB HIS 17 HB3 HIS 17 19.123 -4.853 -0.441 150 HD1 HIS 17 HD1 HIS 17 17.206 -7.823 0.754 151 HD2 HIS 17 HD2 HIS 17 21.014 -6.202 1.130 152 HE1 HIS 17 HE1 HIS 17 18.611 -9.639 1.781 153 HE2 HIS 17 HE2 HIS 17 20.886 -8.602 2.088 154 H VAL 18 H VAL 18 18.418 -3.392 -1.149 155 HA VAL 18 HA VAL 18 16.759 -0.994 -0.759 156 HB VAL 18 HB VAL 18 19.106 -0.496 -1.184 157 1HG1 VAL 18 3HG1 VAL 18 19.696 -2.493 -2.453 158 2HG1 VAL 18 2HG1 VAL 18 18.708 -1.935 -3.805 159 3HG1 VAL 18 1HG1 VAL 18 20.147 -1.030 -3.330 160 1HG2 VAL 18 2HG2 VAL 18 17.341 1.026 -2.008 161 2HG2 VAL 18 1HG2 VAL 18 18.807 1.087 -2.989 162 3HG2 VAL 18 3HG2 VAL 18 17.394 0.204 -3.567 163 H GLY 19 H GLY 19 15.076 -0.569 -2.003 164 1HA GLY 19 HA3 GLY 19 14.707 -1.313 -4.675 165 2HA GLY 19 HA2 GLY 19 13.441 -0.804 -3.576 166 H LYS 20 H LYS 20 14.329 -3.213 -1.830 167 HA LYS 20 HA LYS 20 13.771 -5.560 -3.256 168 1HB LYS 20 HB2 LYS 20 14.570 -5.028 -0.728 169 2HB LYS 20 HB3 LYS 20 12.894 -5.443 -0.431 170 1HG LYS 20 HG2 LYS 20 13.951 -7.468 -0.195 171 2HG LYS 20 HG3 LYS 20 13.405 -7.525 -1.875 172 1HD LYS 20 HD2 LYS 20 15.539 -7.067 -2.703 173 2HD LYS 20 HD3 LYS 20 16.094 -6.458 -1.145 174 1HE LYS 20 HE2 LYS 20 15.980 -8.725 -0.222 175 2HE LYS 20 HE3 LYS 20 15.416 -9.330 -1.780 176 1HZ LYS 20 HZ1 LYS 20 18.050 -8.056 -1.272 177 2HZ LYS 20 HZ3 LYS 20 17.780 -9.712 -1.488 178 3HZ LYS 20 HZ2 LYS 20 17.510 -8.638 -2.766 179 H THR 21 H THR 21 12.020 -4.988 -4.622 180 HA THR 21 HA THR 21 9.550 -4.001 -3.840 181 HB THR 21 HB THR 21 9.846 -6.035 -6.041 182 HG1 THR 21 HG1 THR 21 11.515 -4.525 -6.320 183 1HG2 THR 21 1HG2 THR 21 8.112 -3.581 -5.711 184 2HG2 THR 21 3HG2 THR 21 8.132 -4.641 -7.120 185 3HG2 THR 21 2HG2 THR 21 7.582 -5.256 -5.563 186 H THR 22 H THR 22 8.522 -4.826 -2.121 187 HA THR 22 HA THR 22 8.031 -7.723 -2.043 188 HB THR 22 HB THR 22 7.760 -5.671 0.168 189 HG1 THR 22 HG1 THR 22 9.525 -7.755 0.478 190 1HG2 THR 22 1HG2 THR 22 6.142 -7.520 0.372 191 2HG2 THR 22 3HG2 THR 22 7.472 -8.675 0.287 192 3HG2 THR 22 2HG2 THR 22 7.360 -7.558 1.648 193 H GLU 23 H GLU 23 6.312 -7.990 -3.331 194 HA GLU 23 HA GLU 23 4.069 -6.256 -3.396 195 1HB GLU 23 HB2 GLU 23 4.884 -7.718 -5.263 196 2HB GLU 23 HB3 GLU 23 4.273 -9.102 -4.369 197 1HG GLU 23 HG2 GLU 23 2.042 -8.372 -4.569 198 2HG GLU 23 HG3 GLU 23 2.549 -6.781 -5.139 199 H ILE 24 H ILE 24 2.468 -6.149 -2.006 200 HA ILE 24 HA ILE 24 1.877 -8.508 -0.343 201 HB ILE 24 HB ILE 24 1.382 -5.620 0.312 202 1HG1 ILE 24 2HG1 ILE 24 3.789 -6.141 0.228 203 2HG1 ILE 24 3HG1 ILE 24 3.248 -5.788 1.861 204 1HG2 ILE 24 2HG2 ILE 24 -0.180 -7.184 1.364 205 2HG2 ILE 24 1HG2 ILE 24 1.181 -8.078 2.041 206 3HG2 ILE 24 3HG2 ILE 24 0.878 -6.417 2.549 207 1HD1 ILE 24 3HD1 ILE 24 3.182 -8.192 2.342 208 2HD1 ILE 24 2HD1 ILE 24 3.789 -8.512 0.718 209 3HD1 ILE 24 1HD1 ILE 24 4.788 -7.633 1.876 210 H HIS 25 H HIS 25 0.230 -9.447 -1.413 211 HA HIS 25 HA HIS 25 -2.043 -7.874 -2.300 212 1HB HIS 25 HB2 HIS 25 -2.079 -10.851 -2.282 213 2HB HIS 25 HB3 HIS 25 -2.757 -9.736 -3.453 214 HD1 HIS 25 HD1 HIS 25 0.119 -11.886 -2.863 215 HD2 HIS 25 HD2 HIS 25 -0.771 -8.600 -5.244 216 HE1 HIS 25 HE1 HIS 25 1.876 -11.865 -4.660 217 HE2 HIS 25 HE2 HIS 25 1.212 -9.971 -6.180 218 H LEU 26 H LEU 26 -3.560 -7.357 -0.887 219 HA LEU 26 HA LEU 26 -4.051 -9.159 1.389 220 1HB LEU 26 HB2 LEU 26 -4.669 -6.220 1.180 221 2HB LEU 26 HB3 LEU 26 -4.902 -7.223 2.597 222 HG LEU 26 HG LEU 26 -2.206 -6.636 1.364 223 1HD1 LEU 26 1HD1 LEU 26 -3.549 -5.381 3.754 224 2HD1 LEU 26 3HD1 LEU 26 -1.878 -5.120 3.259 225 3HD1 LEU 26 2HD1 LEU 26 -3.199 -4.588 2.217 226 1HD2 LEU 26 1HD2 LEU 26 -2.347 -8.733 2.642 227 2HD2 LEU 26 3HD2 LEU 26 -1.317 -7.536 3.430 228 3HD2 LEU 26 2HD2 LEU 26 -2.949 -7.828 4.032 229 H LYS 27 H LYS 27 -6.182 -9.629 1.956 230 HA LYS 27 HA LYS 27 -8.080 -9.264 -0.248 231 1HB LYS 27 HB2 LYS 27 -8.424 -11.161 2.060 232 2HB LYS 27 HB3 LYS 27 -9.207 -11.204 0.489 233 1HG LYS 27 HG2 LYS 27 -6.982 -11.671 -0.535 234 2HG LYS 27 HG3 LYS 27 -6.326 -11.813 1.099 235 1HD LYS 27 HD2 LYS 27 -7.902 -13.626 1.575 236 2HD LYS 27 HD3 LYS 27 -8.546 -13.492 -0.063 237 1HE LYS 27 HE2 LYS 27 -6.354 -14.069 -0.975 238 2HE LYS 27 HE3 LYS 27 -5.703 -14.194 0.660 239 1HZ LYS 27 HZ3 LYS 27 -7.245 -16.004 1.095 240 2HZ LYS 27 HZ2 LYS 27 -7.863 -15.887 -0.475 241 3HZ LYS 27 HZ1 LYS 27 -6.260 -16.364 -0.233 242 H GLY 28 H GLY 28 -10.371 -8.988 0.351 243 1HA GLY 28 HA3 GLY 28 -10.654 -6.708 2.022 244 2HA GLY 28 HA2 GLY 28 -11.292 -8.137 2.818 245 H ASN 29 H ASN 29 -12.367 -5.564 1.405 246 HA ASN 29 HA ASN 29 -13.972 -6.378 -0.751 247 1HB ASN 29 HB2 ASN 29 -15.078 -7.804 0.910 248 2HB ASN 29 HB3 ASN 29 -15.370 -6.401 1.933 249 1HD2 ASN 29 1HD2 ASN 29 -17.586 -6.703 1.889 250 2HD2 ASN 29 2HD2 ASN 29 -18.538 -6.357 0.489 251 HA PRO 30 HA PRO 30 -13.560 -1.829 -0.386 252 1HB PRO 30 HB2 PRO 30 -14.728 -2.166 -3.108 253 2HB PRO 30 HB3 PRO 30 -13.377 -1.156 -2.582 254 1HG PRO 30 HG2 PRO 30 -12.940 -3.417 -3.911 255 2HG PRO 30 HG3 PRO 30 -11.889 -2.942 -2.565 256 1HD PRO 30 HD2 PRO 30 -14.041 -5.002 -2.654 257 2HD PRO 30 HD3 PRO 30 -12.493 -5.026 -1.790 258 H THR 31 H THR 31 -16.272 -3.877 -1.032 259 HA THR 31 HA THR 31 -18.272 -1.880 -1.221 260 HB THR 31 HB THR 31 -18.525 -4.782 -0.416 261 HG1 THR 31 HG1 THR 31 -17.610 -4.322 -2.549 262 1HG2 THR 31 2HG2 THR 31 -20.580 -2.822 -1.424 263 2HG2 THR 31 1HG2 THR 31 -20.852 -4.541 -1.148 264 3HG2 THR 31 3HG2 THR 31 -20.481 -3.479 0.209 265 H THR 32 H THR 32 -16.782 -3.597 1.450 266 HA THR 32 HA THR 32 -18.621 -3.179 3.472 267 HB THR 32 HB THR 32 -16.719 -3.245 5.054 268 HG1 THR 32 HG1 THR 32 -14.718 -3.770 3.400 269 1HG2 THR 32 3HG2 THR 32 -16.532 -5.232 2.787 270 2HG2 THR 32 2HG2 THR 32 -15.876 -5.461 4.408 271 3HG2 THR 32 1HG2 THR 32 -17.618 -5.336 4.172 272 H GLY 33 H GLY 33 -15.737 -1.127 2.947 273 1HA GLY 33 HA3 GLY 33 -16.966 1.006 4.477 274 2HA GLY 33 HA2 GLY 33 -16.798 1.339 2.761 275 H TYR 34 H TYR 34 -14.693 -0.201 5.202 276 HA TYR 34 HA TYR 34 -12.789 1.951 5.021 277 1HB TYR 34 HB2 TYR 34 -12.681 -0.694 6.473 278 2HB TYR 34 HB3 TYR 34 -11.438 0.544 6.584 279 HD1 TYR 34 HD1 TYR 34 -15.069 -0.021 7.180 280 HD2 TYR 34 HD2 TYR 34 -11.596 2.227 8.205 281 HE1 TYR 34 HE1 TYR 34 -16.302 1.036 9.026 282 HE2 TYR 34 HE2 TYR 34 -12.828 3.287 10.050 283 HH TYR 34 HH TYR 34 -15.147 3.760 10.690 284 H MET 35 H MET 35 -10.827 1.958 4.051 285 HA MET 35 HA MET 35 -10.312 -0.116 2.077 286 1HB MET 35 HB2 MET 35 -10.255 1.889 0.958 287 2HB MET 35 HB3 MET 35 -9.693 2.778 2.364 288 1HG MET 35 HG2 MET 35 -7.469 1.656 2.051 289 2HG MET 35 HG3 MET 35 -8.082 1.064 0.520 290 1HE MET 35 HE2 MET 35 -9.924 3.560 -0.355 291 2HE MET 35 HE1 MET 35 -8.797 4.443 -1.385 292 3HE MET 35 HE3 MET 35 -8.885 2.684 -1.478 293 H TRP 36 H TRP 36 -8.232 -0.964 1.804 294 HA TRP 36 HA TRP 36 -6.613 -1.049 4.251 295 1HB TRP 36 HB2 TRP 36 -7.361 -2.982 2.216 296 2HB TRP 36 HB3 TRP 36 -5.620 -2.916 2.434 297 HD1 TRP 36 HD1 TRP 36 -8.457 -4.762 3.657 298 HE1 TRP 36 HE1 TRP 36 -7.989 -5.839 5.948 299 HE3 TRP 36 HE3 TRP 36 -4.285 -2.116 4.962 300 HZ2 TRP 36 HZ2 TRP 36 -6.109 -5.595 8.029 301 HZ3 TRP 36 HZ3 TRP 36 -3.214 -2.603 7.121 302 HH2 TRP 36 HH2 TRP 36 -4.110 -4.305 8.621 303 H THR 37 H THR 37 -5.472 0.897 3.938 304 HA THR 37 HA THR 37 -3.516 0.794 1.739 305 HB THR 37 HB THR 37 -5.314 2.378 1.146 306 HG1 THR 37 HG1 THR 37 -3.672 4.309 1.205 307 1HG2 THR 37 2HG2 THR 37 -5.959 3.044 3.410 308 2HG2 THR 37 1HG2 THR 37 -4.405 3.850 3.628 309 3HG2 THR 37 3HG2 THR 37 -5.554 4.455 2.433 310 H ARG 38 H ARG 38 -2.034 3.063 2.324 311 HA ARG 38 HA ARG 38 -0.676 2.217 4.727 312 1HB ARG 38 HB2 ARG 38 -0.034 3.982 2.427 313 2HB ARG 38 HB3 ARG 38 0.768 4.347 3.943 314 1HG ARG 38 HG2 ARG 38 1.740 2.187 4.038 315 2HG ARG 38 HG3 ARG 38 0.782 1.640 2.662 316 1HD ARG 38 HD2 ARG 38 3.245 2.345 2.327 317 2HD ARG 38 HD3 ARG 38 2.055 2.810 1.140 318 HE ARG 38 HE ARG 38 2.084 5.028 2.191 319 1HH1 ARG 38 1HH1 ARG 38 4.691 2.835 2.922 320 2HH1 ARG 38 2HH1 ARG 38 5.830 4.094 3.265 321 1HH2 ARG 38 1HH2 ARG 38 3.593 6.695 2.621 322 2HH2 ARG 38 2HH2 ARG 38 5.205 6.284 3.099 323 H VAL 39 H VAL 39 -0.369 3.363 6.588 324 HA VAL 39 HA VAL 39 -2.449 4.880 7.601 325 HB VAL 39 HB VAL 39 0.423 4.925 8.538 326 1HG1 VAL 39 3HG1 VAL 39 -2.139 5.594 9.984 327 2HG1 VAL 39 2HG1 VAL 39 -0.541 5.502 10.725 328 3HG1 VAL 39 1HG1 VAL 39 -0.878 6.732 9.507 329 1HG2 VAL 39 1HG2 VAL 39 -0.706 2.661 8.314 330 2HG2 VAL 39 3HG2 VAL 39 -0.053 3.068 9.900 331 3HG2 VAL 39 2HG2 VAL 39 -1.788 3.191 9.602 332 H GLY 40 H GLY 40 -2.806 7.039 7.994 333 1HA GLY 40 HA3 GLY 40 -1.032 9.149 7.554 334 2HA GLY 40 HA2 GLY 40 -2.782 9.292 7.572 335 H PHE 41 H PHE 41 -2.347 7.125 5.253 336 HA PHE 41 HA PHE 41 -2.143 9.175 3.156 337 1HB PHE 41 HB2 PHE 41 -0.971 6.388 3.112 338 2HB PHE 41 HB3 PHE 41 -0.982 7.499 1.743 339 HD1 PHE 41 HD1 PHE 41 1.243 6.178 3.772 340 HD2 PHE 41 HD2 PHE 41 -0.349 10.035 2.967 341 HE1 PHE 41 HE1 PHE 41 3.323 7.204 4.603 342 HE2 PHE 41 HE2 PHE 41 1.733 11.074 3.782 343 HZ PHE 41 HZ PHE 41 3.570 9.654 4.607 344 H VAL 42 H VAL 42 -4.411 8.014 4.512 345 HA VAL 42 HA VAL 42 -5.709 6.089 2.909 346 HB VAL 42 HB VAL 42 -6.448 6.496 5.177 347 1HG1 VAL 42 3HG1 VAL 42 -5.963 8.882 5.306 348 2HG1 VAL 42 2HG1 VAL 42 -7.306 9.221 4.215 349 3HG1 VAL 42 1HG1 VAL 42 -7.619 8.542 5.811 350 1HG2 VAL 42 3HG2 VAL 42 -8.545 7.215 3.135 351 2HG2 VAL 42 2HG2 VAL 42 -8.096 5.593 3.664 352 3HG2 VAL 42 1HG2 VAL 42 -8.879 6.703 4.790 353 H GLY 43 H GLY 43 -6.898 6.245 1.097 354 1HA GLY 43 HA3 GLY 43 -7.892 8.835 0.208 355 2HA GLY 43 HA2 GLY 43 -8.251 7.275 -0.518 356 H LYS 44 H LYS 44 -4.951 8.030 0.155 357 HA LYS 44 HA LYS 44 -4.334 9.290 -2.313 358 1HB LYS 44 HB2 LYS 44 -2.577 7.878 -0.303 359 2HB LYS 44 HB3 LYS 44 -1.979 8.807 -1.666 360 1HG LYS 44 HG2 LYS 44 -3.180 10.792 -0.742 361 2HG LYS 44 HG3 LYS 44 -3.543 9.826 0.690 362 1HD LYS 44 HD2 LYS 44 -1.174 9.533 1.126 363 2HD LYS 44 HD3 LYS 44 -0.773 10.418 -0.348 364 1HE LYS 44 HE2 LYS 44 -0.540 11.838 1.622 365 2HE LYS 44 HE3 LYS 44 -1.821 12.425 0.561 366 1HZ LYS 44 HZ1 LYS 44 -3.448 11.377 2.012 367 2HZ LYS 44 HZ3 LYS 44 -2.217 10.826 3.033 368 3HZ LYS 44 HZ2 LYS 44 -2.502 12.486 2.871 369 H ASP 45 H ASP 45 -2.558 8.267 -3.746 370 HA ASP 45 HA ASP 45 -3.500 5.598 -4.515 371 1HB ASP 45 HB2 ASP 45 -2.660 7.996 -5.998 372 2HB ASP 45 HB3 ASP 45 -2.038 6.482 -6.638 373 H VAL 46 H VAL 46 -0.507 7.524 -4.479 374 HA VAL 46 HA VAL 46 1.134 5.165 -4.699 375 HB VAL 46 HB VAL 46 1.884 7.195 -5.779 376 1HG1 VAL 46 1HG1 VAL 46 1.963 8.398 -3.016 377 2HG1 VAL 46 3HG1 VAL 46 2.567 9.163 -4.485 378 3HG1 VAL 46 2HG1 VAL 46 0.845 8.826 -4.312 379 1HG2 VAL 46 2HG2 VAL 46 3.595 5.652 -4.975 380 2HG2 VAL 46 1HG2 VAL 46 4.164 7.320 -4.907 381 3HG2 VAL 46 3HG2 VAL 46 3.648 6.503 -3.432 382 H LEU 47 H LEU 47 0.177 7.389 -2.164 383 HA LEU 47 HA LEU 47 0.198 7.219 0.089 384 1HB LEU 47 HB2 LEU 47 1.524 4.547 -0.072 385 2HB LEU 47 HB3 LEU 47 0.438 5.168 1.151 386 HG LEU 47 HG LEU 47 -0.359 4.404 -1.657 387 1HD1 LEU 47 3HD1 LEU 47 -0.783 3.012 0.980 388 2HD1 LEU 47 2HD1 LEU 47 -1.575 2.566 -0.532 389 3HD1 LEU 47 1HD1 LEU 47 0.179 2.438 -0.382 390 1HD2 LEU 47 1HD2 LEU 47 -1.993 5.357 0.686 391 2HD2 LEU 47 3HD2 LEU 47 -1.760 6.181 -0.856 392 3HD2 LEU 47 2HD2 LEU 47 -2.664 4.666 -0.791 393 H SER 48 H SER 48 3.122 5.606 -1.126 394 HA SER 48 HA SER 48 4.862 6.585 0.834 395 1HB SER 48 HB2 SER 48 6.634 5.889 -0.753 396 2HB SER 48 HB3 SER 48 5.407 4.653 -0.515 397 HG SER 48 HG SER 48 6.189 5.764 -2.787 398 H ASP 49 H ASP 49 7.043 7.606 -0.615 399 HA ASP 49 HA ASP 49 6.266 9.952 -2.068 400 1HB ASP 49 HB2 ASP 49 5.976 10.341 0.558 401 2HB ASP 49 HB3 ASP 49 7.709 10.643 0.440 402 H GLU 50 H GLU 50 8.943 9.350 0.175 403 HA GLU 50 HA GLU 50 10.761 8.993 -2.086 404 1HB GLU 50 HB2 GLU 50 12.280 10.668 -1.279 405 2HB GLU 50 HB3 GLU 50 10.684 11.391 -1.451 406 1HG GLU 50 HG2 GLU 50 10.310 11.190 0.932 407 2HG GLU 50 HG3 GLU 50 11.891 10.433 1.126 408 H ILE 51 H ILE 51 9.973 8.488 1.261 409 HA ILE 51 HA ILE 51 12.434 7.355 2.095 410 HB ILE 51 HB ILE 51 9.739 6.714 3.243 411 1HG1 ILE 51 2HG1 ILE 51 9.895 9.114 2.982 412 2HG1 ILE 51 3HG1 ILE 51 10.061 8.684 4.673 413 1HG2 ILE 51 1HG2 ILE 51 12.519 6.799 4.405 414 2HG2 ILE 51 3HG2 ILE 51 11.046 6.559 5.346 415 3HG2 ILE 51 2HG2 ILE 51 11.521 5.369 4.133 416 1HD1 ILE 51 2HD1 ILE 51 12.320 9.395 2.837 417 2HD1 ILE 51 1HD1 ILE 51 11.610 10.445 4.062 418 3HD1 ILE 51 3HD1 ILE 51 12.465 8.980 4.544 419 H LEU 52 H LEU 52 9.321 5.736 1.663 420 HA LEU 52 HA LEU 52 10.768 3.334 0.745 421 1HB LEU 52 HB2 LEU 52 9.014 3.649 2.904 422 2HB LEU 52 HB3 LEU 52 8.072 2.838 1.668 423 HG LEU 52 HG LEU 52 10.683 1.879 2.830 424 1HD1 LEU 52 2HD1 LEU 52 7.866 0.844 3.107 425 2HD1 LEU 52 1HD1 LEU 52 9.312 0.057 3.738 426 3HD1 LEU 52 3HD1 LEU 52 8.820 1.629 4.365 427 1HD2 LEU 52 1HD2 LEU 52 8.900 0.638 0.742 428 2HD2 LEU 52 3HD2 LEU 52 10.529 1.267 0.493 429 3HD2 LEU 52 2HD2 LEU 52 10.277 -0.154 1.509 430 H GLU 53 H GLU 53 10.584 3.335 -1.456 431 HA GLU 53 HA GLU 53 8.513 4.452 -2.936 432 1HB GLU 53 HB2 GLU 53 10.919 3.192 -3.436 433 2HB GLU 53 HB3 GLU 53 9.737 2.117 -4.178 434 1HG GLU 53 HG2 GLU 53 9.506 5.014 -4.688 435 2HG GLU 53 HG3 GLU 53 10.824 4.134 -5.454 436 H VAL 54 H VAL 54 6.579 3.793 -1.884 437 HA VAL 54 HA VAL 54 5.877 0.964 -2.045 438 HB VAL 54 HB VAL 54 4.266 3.214 -0.846 439 1HG1 VAL 54 3HG1 VAL 54 4.017 0.220 -0.632 440 2HG1 VAL 54 2HG1 VAL 54 3.065 1.388 0.284 441 3HG1 VAL 54 1HG1 VAL 54 2.914 1.311 -1.471 442 1HG2 VAL 54 3HG2 VAL 54 6.337 1.400 0.335 443 2HG2 VAL 54 2HG2 VAL 54 6.146 3.144 0.517 444 3HG2 VAL 54 1HG2 VAL 54 5.029 2.048 1.325 445 H VAL 55 H VAL 55 5.490 0.658 -4.234 446 HA VAL 55 HA VAL 55 3.570 2.349 -5.585 447 HB VAL 55 HB VAL 55 4.746 -0.250 -6.552 448 1HG1 VAL 55 2HG1 VAL 55 2.643 0.658 -7.618 449 2HG1 VAL 55 1HG1 VAL 55 3.617 2.023 -8.163 450 3HG1 VAL 55 3HG1 VAL 55 4.005 0.390 -8.709 451 1HG2 VAL 55 3HG2 VAL 55 5.717 2.570 -7.003 452 2HG2 VAL 55 2HG2 VAL 55 6.537 1.323 -6.064 453 3HG2 VAL 55 1HG2 VAL 55 6.349 1.134 -7.808 454 H CYS 56 H CYS 56 1.909 1.963 -4.063 455 HA CYS 56 HA CYS 56 0.710 -0.687 -3.984 456 1HB CYS 56 HB2 CYS 56 0.811 0.368 -1.854 457 2HB CYS 56 HB3 CYS 56 0.148 1.870 -2.487 458 HG CYS 56 HG CYS 56 -1.720 0.561 -0.803 459 H LYS 57 H LYS 57 -1.114 -1.250 -4.985 460 HA LYS 57 HA LYS 57 -2.653 0.847 -6.346 461 1HB LYS 57 HB2 LYS 57 -2.104 -1.866 -7.531 462 2HB LYS 57 HB3 LYS 57 -2.873 -0.495 -8.312 463 1HG LYS 57 HG2 LYS 57 -0.762 0.740 -8.224 464 2HG LYS 57 HG3 LYS 57 0.011 -0.650 -7.461 465 1HD LYS 57 HD2 LYS 57 -1.300 -0.701 -10.176 466 2HD LYS 57 HD3 LYS 57 0.431 -0.492 -9.905 467 1HE LYS 57 HE2 LYS 57 0.514 -2.668 -8.783 468 2HE LYS 57 HE3 LYS 57 -1.215 -2.877 -9.065 469 1HZ LYS 57 HZ2 LYS 57 0.861 -2.621 -11.175 470 2HZ LYS 57 HZ1 LYS 57 0.097 -4.057 -10.710 471 3HZ LYS 57 HZ3 LYS 57 -0.796 -2.823 -11.444 472 H TYR 58 H TYR 58 -4.652 0.848 -5.668 473 HA TYR 58 HA TYR 58 -5.749 -1.431 -4.262 474 1HB TYR 58 HB2 TYR 58 -6.060 0.980 -3.526 475 2HB TYR 58 HB3 TYR 58 -7.125 1.185 -4.912 476 HD1 TYR 58 HD1 TYR 58 -8.847 -1.033 -5.007 477 HD2 TYR 58 HD2 TYR 58 -7.223 0.862 -1.534 478 HE1 TYR 58 HE1 TYR 58 -10.747 -1.859 -3.695 479 HE2 TYR 58 HE2 TYR 58 -9.150 0.045 -0.225 480 HH TYR 58 HH TYR 58 -11.231 -2.344 -1.266 481 H THR 59 H THR 59 -6.220 -3.039 -5.673 482 HA THR 59 HA THR 59 -7.574 -2.441 -8.182 483 HB THR 59 HB THR 59 -6.708 -5.131 -7.108 484 HG1 THR 59 HG1 THR 59 -5.261 -3.937 -9.148 485 1HG2 THR 59 2HG2 THR 59 -7.410 -4.213 -9.901 486 2HG2 THR 59 1HG2 THR 59 -6.822 -5.817 -9.465 487 3HG2 THR 59 3HG2 THR 59 -8.389 -5.262 -8.877 488 HA PRO 60 HA PRO 60 -11.416 -3.787 -6.247 489 1HB PRO 60 HB2 PRO 60 -12.938 -1.853 -7.247 490 2HB PRO 60 HB3 PRO 60 -11.738 -1.483 -6.008 491 1HG PRO 60 HG2 PRO 60 -11.709 -0.867 -8.902 492 2HG PRO 60 HG3 PRO 60 -10.888 -0.041 -7.569 493 1HD PRO 60 HD2 PRO 60 -9.835 -2.035 -9.367 494 2HD PRO 60 HD3 PRO 60 -8.993 -1.135 -8.090 495 H THR 61 H THR 61 -11.543 -5.748 -7.483 496 HA THR 61 HA THR 61 -12.202 -5.711 -10.267 497 HB THR 61 HB THR 61 -12.811 -8.191 -8.819 498 HG1 THR 61 HG1 THR 61 -10.259 -8.317 -8.774 499 1HG2 THR 61 1HG2 THR 61 -10.937 -7.502 -11.085 500 2HG2 THR 61 3HG2 THR 61 -11.342 -9.134 -10.551 501 3HG2 THR 61 2HG2 THR 61 -12.590 -8.098 -11.245 502 HA PRO 62 HA PRO 62 -16.589 -5.163 -9.995 503 1HB PRO 62 HB2 PRO 62 -16.737 -6.815 -12.440 504 2HB PRO 62 HB3 PRO 62 -17.258 -5.148 -12.176 505 1HG PRO 62 HG2 PRO 62 -15.088 -5.717 -13.638 506 2HG PRO 62 HG3 PRO 62 -15.154 -4.286 -12.593 507 1HD PRO 62 HD2 PRO 62 -13.792 -6.911 -12.127 508 2HD PRO 62 HD3 PRO 62 -13.234 -5.267 -11.753 509 H SER 63 H SER 63 -17.632 -6.300 -8.477 510 HA SER 63 HA SER 63 -17.738 -9.223 -8.703 511 1HB SER 63 HB2 SER 63 -18.340 -7.397 -6.365 512 2HB SER 63 HB3 SER 63 -18.492 -9.152 -6.334 513 HG SER 63 HG SER 63 -16.149 -8.975 -7.120 514 H SER 64 H SER 64 -19.953 -9.909 -7.393 515 HA SER 64 HA SER 64 -22.024 -9.318 -9.265 516 1HB SER 64 HB2 SER 64 -23.409 -10.809 -7.864 517 2HB SER 64 HB3 SER 64 -21.845 -11.534 -8.239 518 HG SER 64 HG SER 64 -21.871 -11.818 -6.133 519 H THR 65 H THR 65 -20.886 -7.652 -6.628 520 HA THR 65 HA THR 65 -23.237 -6.744 -5.376 521 HB THR 65 HB THR 65 -21.865 -4.860 -4.555 522 HG1 THR 65 HG1 THR 65 -20.103 -4.306 -5.588 523 1HG2 THR 65 1HG2 THR 65 -21.747 -7.013 -3.403 524 2HG2 THR 65 3HG2 THR 65 -20.450 -7.528 -4.482 525 3HG2 THR 65 2HG2 THR 65 -20.187 -6.194 -3.360 526 HA PRO 66 HA PRO 66 -24.881 -3.823 -8.258 527 1HB PRO 66 HB2 PRO 66 -26.012 -1.992 -6.637 528 2HB PRO 66 HB3 PRO 66 -26.643 -3.638 -6.769 529 1HG PRO 66 HG2 PRO 66 -24.834 -2.462 -4.686 530 2HG PRO 66 HG3 PRO 66 -26.273 -3.477 -4.465 531 1HD PRO 66 HD2 PRO 66 -23.757 -4.476 -4.366 532 2HD PRO 66 HD3 PRO 66 -25.132 -5.419 -4.975 533 H MET 67 H MET 67 -25.187 -1.043 -7.821 534 HA MET 67 HA MET 67 -22.696 -0.089 -8.747 535 1HB MET 67 HB2 MET 67 -24.881 0.927 -9.332 536 2HB MET 67 HB3 MET 67 -25.036 1.499 -7.678 537 1HG MET 67 HG2 MET 67 -23.047 2.879 -7.961 538 2HG MET 67 HG3 MET 67 -22.875 2.297 -9.615 539 1HE MET 67 HE1 MET 67 -26.202 3.195 -7.703 540 2HE MET 67 HE3 MET 67 -25.055 4.405 -7.127 541 3HE MET 67 HE2 MET 67 -26.405 4.888 -8.154 542 H VAL 68 H VAL 68 -23.840 -0.708 -5.635 543 HA VAL 68 HA VAL 68 -22.024 1.211 -4.371 544 HB VAL 68 HB VAL 68 -24.021 -0.659 -3.085 545 1HG1 VAL 68 2HG1 VAL 68 -22.428 1.631 -1.936 546 2HG1 VAL 68 1HG1 VAL 68 -23.682 0.729 -1.086 547 3HG1 VAL 68 3HG1 VAL 68 -22.197 -0.082 -1.585 548 1HG2 VAL 68 3HG2 VAL 68 -24.217 2.293 -3.671 549 2HG2 VAL 68 2HG2 VAL 68 -25.133 1.009 -4.461 550 3HG2 VAL 68 1HG2 VAL 68 -25.387 1.349 -2.750 551 H GLY 69 H GLY 69 -19.983 0.514 -4.244 552 1HA GLY 69 HA3 GLY 69 -19.482 -2.053 -2.941 553 2HA GLY 69 HA2 GLY 69 -18.311 -0.766 -3.186 554 H VAL 70 H VAL 70 -16.950 -2.623 -3.844 555 HA VAL 70 HA VAL 70 -17.482 -3.442 -6.618 556 HB VAL 70 HB VAL 70 -14.736 -2.773 -5.577 557 1HG1 VAL 70 1HG1 VAL 70 -15.851 -3.374 -8.308 558 2HG1 VAL 70 3HG1 VAL 70 -14.253 -2.679 -8.045 559 3HG1 VAL 70 2HG1 VAL 70 -14.634 -4.279 -7.411 560 1HG2 VAL 70 1HG2 VAL 70 -16.586 -1.058 -7.232 561 2HG2 VAL 70 3HG2 VAL 70 -16.084 -0.746 -5.571 562 3HG2 VAL 70 2HG2 VAL 70 -14.898 -0.697 -6.875 563 H GLY 71 H GLY 71 -14.495 -4.342 -5.247 564 1HA GLY 71 HA3 GLY 71 -15.450 -7.106 -5.021 565 2HA GLY 71 HA2 GLY 71 -14.607 -6.394 -3.659 566 H GLY 72 H GLY 72 -12.390 -5.909 -3.845 567 1HA GLY 72 HA3 GLY 72 -10.601 -5.925 -5.774 568 2HA GLY 72 HA2 GLY 72 -11.027 -7.630 -5.781 569 H ILE 73 H ILE 73 -8.539 -5.984 -5.000 570 HA ILE 73 HA ILE 73 -8.233 -6.888 -2.239 571 HB ILE 73 HB ILE 73 -6.031 -7.841 -2.713 572 1HG1 ILE 73 2HG1 ILE 73 -6.616 -8.028 -5.618 573 2HG1 ILE 73 3HG1 ILE 73 -5.967 -6.510 -4.997 574 1HG2 ILE 73 2HG2 ILE 73 -8.103 -9.226 -2.622 575 2HG2 ILE 73 1HG2 ILE 73 -8.085 -9.234 -4.386 576 3HG2 ILE 73 3HG2 ILE 73 -6.740 -9.944 -3.485 577 1HD1 ILE 73 3HD1 ILE 73 -4.078 -7.742 -4.026 578 2HD1 ILE 73 2HD1 ILE 73 -4.714 -9.232 -4.725 579 3HD1 ILE 73 1HD1 ILE 73 -4.176 -7.923 -5.779 580 H TYR 74 H TYR 74 -5.520 -6.398 -2.002 581 HA TYR 74 HA TYR 74 -5.139 -3.611 -2.807 582 1HB TYR 74 HB2 TYR 74 -4.462 -4.380 0.001 583 2HB TYR 74 HB3 TYR 74 -4.888 -2.802 -0.655 584 HD1 TYR 74 HD1 TYR 74 -6.239 -6.016 0.547 585 HD2 TYR 74 HD2 TYR 74 -7.173 -2.087 -0.781 586 HE1 TYR 74 HE1 TYR 74 -8.532 -6.293 1.370 587 HE2 TYR 74 HE2 TYR 74 -9.474 -2.360 0.047 588 HH TYR 74 HH TYR 74 -10.414 -4.889 2.092 589 H VAL 75 H VAL 75 -3.372 -3.987 -4.102 590 HA VAL 75 HA VAL 75 -1.241 -5.696 -3.114 591 HB VAL 75 HB VAL 75 -1.997 -5.932 -5.480 592 1HG1 VAL 75 2HG1 VAL 75 -0.828 -3.170 -5.735 593 2HG1 VAL 75 1HG1 VAL 75 -1.142 -4.236 -7.103 594 3HG1 VAL 75 3HG1 VAL 75 -2.477 -3.683 -6.094 595 1HG2 VAL 75 1HG2 VAL 75 0.871 -5.113 -5.048 596 2HG2 VAL 75 3HG2 VAL 75 0.186 -6.722 -4.823 597 3HG2 VAL 75 2HG2 VAL 75 0.272 -6.018 -6.439 598 H VAL 76 H VAL 76 0.644 -4.959 -2.395 599 HA VAL 76 HA VAL 76 1.199 -2.080 -2.641 600 HB VAL 76 HB VAL 76 1.544 -3.673 -0.104 601 1HG1 VAL 76 3HG1 VAL 76 1.934 -0.748 -0.707 602 2HG1 VAL 76 2HG1 VAL 76 1.991 -1.467 0.902 603 3HG1 VAL 76 1HG1 VAL 76 3.190 -1.920 -0.311 604 1HG2 VAL 76 2HG2 VAL 76 -0.820 -3.296 -0.617 605 2HG2 VAL 76 1HG2 VAL 76 -0.303 -2.364 0.788 606 3HG2 VAL 76 3HG2 VAL 76 -0.507 -1.568 -0.771 607 H LEU 77 H LEU 77 2.921 -2.240 -4.063 608 HA LEU 77 HA LEU 77 5.097 -4.051 -3.544 609 1HB LEU 77 HB2 LEU 77 4.761 -1.784 -5.505 610 2HB LEU 77 HB3 LEU 77 6.172 -2.826 -5.444 611 HG LEU 77 HG LEU 77 4.613 -3.470 -7.217 612 1HD1 LEU 77 1HD1 LEU 77 5.183 -5.302 -4.945 613 2HD1 LEU 77 3HD1 LEU 77 4.211 -5.887 -6.298 614 3HD1 LEU 77 2HD1 LEU 77 5.848 -5.296 -6.583 615 1HD2 LEU 77 3HD2 LEU 77 2.532 -2.732 -6.147 616 2HD2 LEU 77 2HD2 LEU 77 2.437 -4.381 -6.764 617 3HD2 LEU 77 1HD2 LEU 77 2.648 -4.098 -5.037 618 H VAL 78 H VAL 78 6.269 -3.600 -1.759 619 HA VAL 78 HA VAL 78 6.896 -0.806 -1.166 620 HB VAL 78 HB VAL 78 8.045 -2.609 0.732 621 1HG1 VAL 78 1HG1 VAL 78 5.747 -0.651 0.906 622 2HG1 VAL 78 3HG1 VAL 78 6.584 -1.370 2.284 623 3HG1 VAL 78 2HG1 VAL 78 7.454 -0.294 1.192 624 1HG2 VAL 78 2HG2 VAL 78 5.117 -3.058 0.201 625 2HG2 VAL 78 1HG2 VAL 78 6.411 -4.235 -0.016 626 3HG2 VAL 78 3HG2 VAL 78 6.010 -3.655 1.599 627 H LYS 79 H LYS 79 8.659 -0.001 -2.044 628 HA LYS 79 HA LYS 79 11.007 -1.743 -2.393 629 1HB LYS 79 HB2 LYS 79 9.805 0.355 -4.149 630 2HB LYS 79 HB3 LYS 79 11.544 0.104 -4.201 631 1HG LYS 79 HG2 LYS 79 11.185 -2.249 -4.767 632 2HG LYS 79 HG3 LYS 79 9.430 -1.990 -4.725 633 1HD LYS 79 HD2 LYS 79 11.292 -0.451 -6.529 634 2HD LYS 79 HD3 LYS 79 10.496 -1.948 -7.014 635 1HE LYS 79 HE2 LYS 79 9.108 0.571 -6.108 636 2HE LYS 79 HE3 LYS 79 9.262 0.025 -7.777 637 1HZ LYS 79 HZ1 LYS 79 8.005 -1.967 -7.186 638 2HZ LYS 79 HZ3 LYS 79 7.828 -1.401 -5.602 639 3HZ LYS 79 HZ2 LYS 79 7.112 -0.564 -6.885 640 HA PRO 80 HA PRO 80 12.482 1.127 0.829 641 1HB PRO 80 HB2 PRO 80 15.044 -0.042 0.650 642 2HB PRO 80 HB3 PRO 80 13.802 -0.376 1.854 643 1HG PRO 80 HG2 PRO 80 14.522 -1.889 -0.587 644 2HG PRO 80 HG3 PRO 80 13.844 -2.474 0.943 645 1HD PRO 80 HD2 PRO 80 12.361 -2.289 -1.293 646 2HD PRO 80 HD3 PRO 80 11.679 -1.992 0.320 647 H ARG 81 H ARG 81 12.544 3.038 -0.218 648 HA ARG 81 HA ARG 81 14.234 3.583 -2.449 649 1HB ARG 81 HB2 ARG 81 12.107 4.857 -1.000 650 2HB ARG 81 HB3 ARG 81 13.419 5.990 -1.236 651 1HG ARG 81 HG2 ARG 81 13.304 5.811 -3.573 652 2HG ARG 81 HG3 ARG 81 12.262 4.387 -3.475 653 1HD ARG 81 HD2 ARG 81 10.425 5.619 -2.818 654 2HD ARG 81 HD3 ARG 81 11.390 6.966 -2.253 655 HE ARG 81 HE ARG 81 11.889 7.011 -4.881 656 1HH1 ARG 81 1HH1 ARG 81 8.896 6.739 -3.119 657 2HH1 ARG 81 2HH1 ARG 81 7.961 7.549 -4.331 658 1HH2 ARG 81 1HH2 ARG 81 10.666 8.077 -6.481 659 2HH2 ARG 81 2HH2 ARG 81 8.967 8.309 -6.243 660 H LYS 82 H LYS 82 14.346 4.335 1.011 661 HA LYS 82 HA LYS 82 17.093 5.329 0.638 662 1HB LYS 82 HB2 LYS 82 15.147 5.963 2.862 663 2HB LYS 82 HB3 LYS 82 16.778 6.598 2.718 664 1HG LYS 82 HG2 LYS 82 16.155 7.730 0.644 665 2HG LYS 82 HG3 LYS 82 14.514 7.099 0.800 666 1HD LYS 82 HD2 LYS 82 14.315 8.271 2.972 667 2HD LYS 82 HD3 LYS 82 15.914 8.971 2.707 668 1HE LYS 82 HE2 LYS 82 13.496 9.355 0.946 669 2HE LYS 82 HE3 LYS 82 14.140 10.533 2.089 670 1HZ LYS 82 HZ1 LYS 82 15.572 9.473 -0.288 671 2HZ LYS 82 HZ3 LYS 82 14.858 11.003 -0.168 672 3HZ LYS 82 HZ2 LYS 82 16.185 10.610 0.805 673 H ARG 83 H ARG 83 18.603 4.884 2.402 674 HA ARG 83 HA ARG 83 18.209 2.175 3.426 675 1HB ARG 83 HB2 ARG 83 20.704 3.878 3.347 676 2HB ARG 83 HB3 ARG 83 20.625 2.191 3.836 677 1HG ARG 83 HG2 ARG 83 19.987 1.528 1.610 678 2HG ARG 83 HG3 ARG 83 19.910 3.215 1.096 679 1HD ARG 83 HD2 ARG 83 22.296 3.464 1.522 680 2HD ARG 83 HD3 ARG 83 22.384 1.788 2.065 681 HE ARG 83 HE ARG 83 21.320 1.936 -0.557 682 1HH1 ARG 83 1HH1 ARG 83 24.308 2.200 1.219 683 2HH1 ARG 83 2HH1 ARG 83 25.295 1.711 -0.118 684 1HH2 ARG 83 1HH2 ARG 83 22.612 1.291 -2.321 685 2HH2 ARG 83 2HH2 ARG 83 24.331 1.195 -2.130 686 H GLY 84 H GLY 84 17.869 1.743 5.512 687 1HA GLY 84 HA3 GLY 84 17.718 3.973 7.378 688 2HA GLY 84 HA2 GLY 84 18.878 2.716 7.778 689 H HIS 85 H HIS 85 15.841 3.770 8.385 690 HA HIS 85 HA HIS 85 14.868 1.055 8.990 691 1HB HIS 85 HB2 HIS 85 14.497 3.563 10.641 692 2HB HIS 85 HB3 HIS 85 13.803 1.988 11.010 693 HD1 HIS 85 HD1 HIS 85 16.840 4.002 11.432 694 HD2 HIS 85 HD2 HIS 85 15.762 0.002 11.755 695 HE1 HIS 85 HE1 HIS 85 18.700 2.907 12.723 696 HE2 HIS 85 HE2 HIS 85 18.064 0.471 12.836 697 H HIS 86 H HIS 86 13.430 0.756 7.368 698 HA HIS 86 HA HIS 86 11.351 2.807 6.994 699 1HB HIS 86 HB2 HIS 86 12.365 0.676 5.105 700 2HB HIS 86 HB3 HIS 86 10.951 1.678 4.787 701 HD1 HIS 86 HD1 HIS 86 13.948 3.220 6.382 702 HD2 HIS 86 HD2 HIS 86 12.230 2.909 2.613 703 HE1 HIS 86 HE1 HIS 86 15.150 4.905 4.955 704 HE2 HIS 86 HE2 HIS 86 14.025 4.767 2.705 705 H THR 87 H THR 87 9.178 1.923 6.383 706 HA THR 87 HA THR 87 8.534 -0.751 7.209 707 HB THR 87 HB THR 87 7.764 1.581 8.964 708 HG1 THR 87 HG1 THR 87 8.588 -0.140 10.525 709 1HG2 THR 87 3HG2 THR 87 6.629 -1.213 8.893 710 2HG2 THR 87 2HG2 THR 87 6.418 -0.092 10.239 711 3HG2 THR 87 1HG2 THR 87 5.758 0.304 8.651 712 H LEU 88 H LEU 88 6.353 -1.332 6.794 713 HA LEU 88 HA LEU 88 4.861 0.627 5.181 714 1HB LEU 88 HB2 LEU 88 5.704 -1.096 3.736 715 2HB LEU 88 HB3 LEU 88 5.136 -2.351 4.814 716 HG LEU 88 HG LEU 88 2.781 -1.523 4.329 717 1HD1 LEU 88 3HD1 LEU 88 3.413 0.672 3.464 718 2HD1 LEU 88 2HD1 LEU 88 4.210 -0.100 2.092 719 3HD1 LEU 88 1HD1 LEU 88 2.463 -0.241 2.291 720 1HD2 LEU 88 2HD2 LEU 88 3.914 -3.540 3.310 721 2HD2 LEU 88 1HD2 LEU 88 2.574 -2.852 2.393 722 3HD2 LEU 88 3HD2 LEU 88 4.236 -2.527 1.904 723 H GLU 89 H GLU 89 3.872 1.224 7.207 724 HA GLU 89 HA GLU 89 2.233 -0.718 8.574 725 1HB GLU 89 HB2 GLU 89 1.417 1.610 9.633 726 2HB GLU 89 HB3 GLU 89 2.882 0.783 10.149 727 1HG GLU 89 HG2 GLU 89 4.251 2.198 8.849 728 2HG GLU 89 HG3 GLU 89 2.861 2.863 7.996 729 H LEU 90 H LEU 90 0.489 -1.411 7.580 730 HA LEU 90 HA LEU 90 -1.159 0.465 6.044 731 1HB LEU 90 HB2 LEU 90 -1.131 -2.552 6.130 732 2HB LEU 90 HB3 LEU 90 -2.282 -1.608 5.207 733 HG LEU 90 HG LEU 90 0.708 -1.565 4.780 734 1HD1 LEU 90 1HD1 LEU 90 -1.468 -2.932 3.202 735 2HD1 LEU 90 3HD1 LEU 90 0.232 -2.830 2.742 736 3HD1 LEU 90 2HD1 LEU 90 -0.238 -3.728 4.185 737 1HD2 LEU 90 2HD2 LEU 90 -1.563 -0.356 3.206 738 2HD2 LEU 90 1HD2 LEU 90 -0.352 0.519 4.142 739 3HD2 LEU 90 3HD2 LEU 90 0.129 -0.384 2.706 740 H VAL 91 H VAL 91 -3.469 0.457 6.337 741 HA VAL 91 HA VAL 91 -4.467 -0.733 8.806 742 HB VAL 91 HB VAL 91 -5.615 1.663 9.115 743 1HG1 VAL 91 3HG1 VAL 91 -2.964 0.731 10.180 744 2HG1 VAL 91 2HG1 VAL 91 -3.820 2.140 10.806 745 3HG1 VAL 91 1HG1 VAL 91 -4.561 0.541 10.908 746 1HG2 VAL 91 3HG2 VAL 91 -4.408 2.667 7.229 747 2HG2 VAL 91 2HG2 VAL 91 -4.021 3.459 8.758 748 3HG2 VAL 91 1HG2 VAL 91 -2.877 2.324 8.038 749 H TYR 92 H TYR 92 -6.764 -0.641 9.024 750 HA TYR 92 HA TYR 92 -8.164 -0.643 6.456 751 1HB TYR 92 HB2 TYR 92 -8.259 -2.497 8.322 752 2HB TYR 92 HB3 TYR 92 -9.404 -1.404 9.089 753 HD1 TYR 92 HD1 TYR 92 -11.483 -2.404 8.905 754 HD2 TYR 92 HD2 TYR 92 -8.949 -2.283 5.489 755 HE1 TYR 92 HE1 TYR 92 -13.293 -3.352 7.538 756 HE2 TYR 92 HE2 TYR 92 -10.754 -3.226 4.111 757 HH TYR 92 HH TYR 92 -13.971 -3.439 5.186 758 H THR 93 H THR 93 -7.837 1.748 6.506 759 HA THR 93 HA THR 93 -9.381 3.283 8.421 760 HB THR 93 HB THR 93 -7.366 4.329 7.849 761 HG1 THR 93 HG1 THR 93 -9.208 5.595 6.094 762 1HG2 THR 93 2HG2 THR 93 -8.069 3.826 4.957 763 2HG2 THR 93 1HG2 THR 93 -6.686 4.772 5.508 764 3HG2 THR 93 3HG2 THR 93 -6.781 3.052 5.881 765 H ARG 94 H ARG 94 -10.802 5.063 7.619 766 HA ARG 94 HA ARG 94 -12.534 4.081 5.469 767 1HB ARG 94 HB2 ARG 94 -13.119 4.830 8.094 768 2HB ARG 94 HB3 ARG 94 -13.666 6.180 7.111 769 1HG ARG 94 HG2 ARG 94 -14.933 4.588 5.722 770 2HG ARG 94 HG3 ARG 94 -14.478 3.304 6.841 771 1HD ARG 94 HD2 ARG 94 -15.705 4.249 8.602 772 2HD ARG 94 HD3 ARG 94 -15.846 5.801 7.783 773 HE ARG 94 HE ARG 94 -17.145 4.119 6.123 774 1HH1 ARG 94 1HH1 ARG 94 -17.385 4.739 9.542 775 2HH1 ARG 94 2HH1 ARG 94 -19.071 4.357 9.626 776 1HH2 ARG 94 1HH2 ARG 94 -19.367 3.613 6.222 777 2HH2 ARG 94 2HH2 ARG 94 -20.198 3.716 7.738 778 HA PRO 95 HA PRO 95 -10.453 7.639 3.384 779 1HB PRO 95 HB2 PRO 95 -12.238 6.451 1.297 780 2HB PRO 95 HB3 PRO 95 -10.583 7.047 1.149 781 1HG PRO 95 HG2 PRO 95 -11.039 4.438 1.268 782 2HG PRO 95 HG3 PRO 95 -9.675 5.147 2.153 783 1HD PRO 95 HD2 PRO 95 -12.305 4.182 3.182 784 2HD PRO 95 HD3 PRO 95 -10.700 4.106 3.935 785 H PHE 96 H PHE 96 -13.854 6.705 3.412 786 HA PHE 96 HA PHE 96 -14.879 9.164 2.489 787 1HB PHE 96 HB2 PHE 96 -16.161 6.958 4.105 788 2HB PHE 96 HB3 PHE 96 -17.020 8.263 3.313 789 HD1 PHE 96 HD1 PHE 96 -17.562 8.172 1.022 790 HD2 PHE 96 HD2 PHE 96 -14.916 5.300 2.714 791 HE1 PHE 96 HE1 PHE 96 -17.688 6.842 -1.045 792 HE2 PHE 96 HE2 PHE 96 -15.035 3.966 0.652 793 HZ PHE 96 HZ PHE 96 -16.423 4.737 -1.233 794 H GLU 97 H GLU 97 -14.001 7.946 5.655 795 HA GLU 97 HA GLU 97 -14.909 10.487 6.840 796 1HB GLU 97 HB2 GLU 97 -14.511 7.845 8.253 797 2HB GLU 97 HB3 GLU 97 -15.135 9.326 8.965 798 1HG GLU 97 HG2 GLU 97 -16.456 7.735 6.779 799 2HG GLU 97 HG3 GLU 97 -16.907 7.723 8.482 800 H GLY 98 H GLY 98 -12.731 8.019 8.143 801 1HA GLY 98 HA3 GLY 98 -10.928 9.821 9.272 802 2HA GLY 98 HA2 GLY 98 -10.306 9.409 7.680 803 H ILE 99 H ILE 99 -8.742 8.797 9.712 804 HA ILE 99 HA ILE 99 -8.919 5.874 9.788 805 HB ILE 99 HB ILE 99 -6.482 7.453 10.511 806 1HG1 ILE 99 2HG1 ILE 99 -7.101 6.496 7.721 807 2HG1 ILE 99 3HG1 ILE 99 -7.432 8.145 8.242 808 1HG2 ILE 99 2HG2 ILE 99 -7.105 4.650 9.672 809 2HG2 ILE 99 1HG2 ILE 99 -5.484 5.312 9.436 810 3HG2 ILE 99 3HG2 ILE 99 -6.173 5.224 11.057 811 1HD1 ILE 99 2HD1 ILE 99 -5.054 8.446 8.731 812 2HD1 ILE 99 1HD1 ILE 99 -4.739 6.796 8.193 813 3HD1 ILE 99 3HD1 ILE 99 -5.327 8.001 7.046 814 H LYS 100 H LYS 100 -9.626 5.002 11.591 815 HA LYS 100 HA LYS 100 -9.177 6.387 14.146 816 1HB LYS 100 HB2 LYS 100 -11.089 4.113 13.909 817 2HB LYS 100 HB3 LYS 100 -11.182 5.552 14.912 818 1HG LYS 100 HG2 LYS 100 -11.748 6.893 12.955 819 2HG LYS 100 HG3 LYS 100 -11.661 5.450 11.943 820 1HD LYS 100 HD2 LYS 100 -13.738 4.866 12.488 821 2HD LYS 100 HD3 LYS 100 -13.376 4.995 14.210 822 1HE LYS 100 HE2 LYS 100 -13.757 7.411 14.105 823 2HE LYS 100 HE3 LYS 100 -14.137 7.273 12.388 824 1HZ LYS 100 HZ1 LYS 100 -15.649 5.990 14.599 825 2HZ LYS 100 HZ3 LYS 100 -16.139 7.357 13.731 826 3HZ LYS 100 HZ2 LYS 100 -16.014 5.861 12.953 827 HA PRO 101 HA PRO 101 -6.646 3.127 15.723 828 1HB PRO 101 HB2 PRO 101 -8.346 2.640 18.064 829 2HB PRO 101 HB3 PRO 101 -6.719 3.311 17.986 830 1HG PRO 101 HG2 PRO 101 -8.853 4.818 18.616 831 2HG PRO 101 HG3 PRO 101 -7.482 5.458 17.698 832 1HD PRO 101 HD2 PRO 101 -10.156 4.546 16.708 833 2HD PRO 101 HD3 PRO 101 -9.213 5.973 16.232 834 H GLU 102 H GLU 102 -10.086 2.405 15.929 835 HA GLU 102 HA GLU 102 -9.967 -0.354 16.289 836 1HB GLU 102 HB2 GLU 102 -12.038 1.127 14.669 837 2HB GLU 102 HB3 GLU 102 -12.237 -0.420 15.479 838 1HG GLU 102 HG2 GLU 102 -11.957 0.681 17.643 839 2HG GLU 102 HG3 GLU 102 -11.773 2.231 16.823 840 H ASN 103 H ASN 103 -9.144 1.512 13.538 841 HA ASN 103 HA ASN 103 -9.692 -0.230 11.436 842 1HB ASN 103 HB2 ASN 103 -7.355 1.656 11.746 843 2HB ASN 103 HB3 ASN 103 -7.847 0.899 10.235 844 1HD2 ASN 103 1HD2 ASN 103 -10.713 1.173 11.065 845 2HD2 ASN 103 2HD2 ASN 103 -11.098 2.827 10.750 846 H GLU 104 H GLU 104 -8.843 -2.077 10.713 847 HA GLU 104 HA GLU 104 -7.232 -3.704 12.252 848 1HB GLU 104 HB2 GLU 104 -8.694 -4.148 10.101 849 2HB GLU 104 HB3 GLU 104 -7.159 -3.942 9.272 850 1HG GLU 104 HG2 GLU 104 -6.201 -5.777 10.384 851 2HG GLU 104 HG3 GLU 104 -7.524 -5.856 11.546 852 H ARG 105 H ARG 105 -5.015 -4.499 11.747 853 HA ARG 105 HA ARG 105 -3.346 -2.333 10.654 854 1HB ARG 105 HB2 ARG 105 -3.288 -2.382 13.134 855 2HB ARG 105 HB3 ARG 105 -2.671 -4.028 13.061 856 1HG ARG 105 HG2 ARG 105 -0.623 -3.180 13.019 857 2HG ARG 105 HG3 ARG 105 -0.990 -2.544 11.411 858 1HD ARG 105 HD2 ARG 105 -1.695 -0.457 12.294 859 2HD ARG 105 HD3 ARG 105 -1.662 -1.075 13.946 860 HE ARG 105 HE ARG 105 0.897 -1.379 13.117 861 1HH1 ARG 105 1HH1 ARG 105 -1.313 1.316 13.142 862 2HH1 ARG 105 2HH1 ARG 105 -0.066 2.503 13.322 863 1HH2 ARG 105 1HH2 ARG 105 2.545 0.178 13.354 864 2HH2 ARG 105 2HH2 ARG 105 2.128 1.858 13.443 865 H TYR 106 H TYR 106 -1.370 -2.900 9.750 866 HA TYR 106 HA TYR 106 -0.459 -5.579 9.505 867 1HB TYR 106 HB2 TYR 106 -2.332 -5.685 7.973 868 2HB TYR 106 HB3 TYR 106 -1.690 -4.325 7.052 869 HD1 TYR 106 HD1 TYR 106 -1.626 -7.868 7.625 870 HD2 TYR 106 HD2 TYR 106 0.479 -4.662 5.791 871 HE1 TYR 106 HE1 TYR 106 -0.403 -9.475 6.239 872 HE2 TYR 106 HE2 TYR 106 1.715 -6.264 4.398 873 HH TYR 106 HH TYR 106 2.353 -8.640 4.445 874 H THR 107 H THR 107 1.308 -4.542 10.358 875 HA THR 107 HA THR 107 2.641 -2.500 8.763 876 HB THR 107 HB THR 107 3.683 -3.548 11.367 877 HG1 THR 107 HG1 THR 107 2.197 -1.507 11.970 878 1HG2 THR 107 2HG2 THR 107 3.666 -0.841 10.035 879 2HG2 THR 107 1HG2 THR 107 4.348 -1.177 11.626 880 3HG2 THR 107 3HG2 THR 107 5.041 -1.932 10.191 881 H LEU 108 H LEU 108 3.935 -3.222 7.206 882 HA LEU 108 HA LEU 108 5.490 -5.665 7.616 883 1HB LEU 108 HB2 LEU 108 4.338 -5.632 5.538 884 2HB LEU 108 HB3 LEU 108 4.855 -4.001 5.190 885 HG LEU 108 HG LEU 108 7.137 -4.753 4.825 886 1HD1 LEU 108 3HD1 LEU 108 6.087 -7.503 5.480 887 2HD1 LEU 108 2HD1 LEU 108 7.691 -7.142 4.845 888 3HD1 LEU 108 1HD1 LEU 108 7.224 -6.561 6.444 889 1HD2 LEU 108 2HD2 LEU 108 5.587 -4.793 2.941 890 2HD2 LEU 108 1HD2 LEU 108 6.781 -6.085 2.815 891 3HD2 LEU 108 3HD2 LEU 108 5.138 -6.451 3.339 892 H HIS 109 H HIS 109 7.155 -5.022 8.949 893 HA HIS 109 HA HIS 109 8.605 -2.602 8.446 894 1HB HIS 109 HB2 HIS 109 9.152 -4.855 10.321 895 2HB HIS 109 HB3 HIS 109 10.103 -3.386 10.255 896 HD1 HIS 109 HD1 HIS 109 9.373 -1.605 11.805 897 HD2 HIS 109 HD2 HIS 109 6.290 -4.251 10.924 898 HE1 HIS 109 HE1 HIS 109 7.427 -0.863 13.215 899 HE2 HIS 109 HE2 HIS 109 5.600 -2.527 12.727 900 H LEU 110 H LEU 110 10.590 -2.335 7.603 901 HA LEU 110 HA LEU 110 12.015 -4.632 6.529 902 1HB LEU 110 HB2 LEU 110 10.960 -2.339 4.887 903 2HB LEU 110 HB3 LEU 110 12.238 -3.394 4.333 904 HG LEU 110 HG LEU 110 9.415 -4.242 4.992 905 1HD1 LEU 110 3HD1 LEU 110 10.856 -3.898 2.367 906 2HD1 LEU 110 2HD1 LEU 110 9.278 -4.666 2.557 907 3HD1 LEU 110 1HD1 LEU 110 9.483 -2.961 2.957 908 1HD2 LEU 110 2HD2 LEU 110 11.121 -5.976 5.467 909 2HD2 LEU 110 1HD2 LEU 110 10.022 -6.415 4.160 910 3HD2 LEU 110 3HD2 LEU 110 11.655 -5.861 3.790 911 H ASN 111 H ASN 111 13.446 -3.908 8.294 912 HA ASN 111 HA ASN 111 14.715 -1.429 8.383 913 1HB ASN 111 HB2 ASN 111 14.937 -3.029 10.202 914 2HB ASN 111 HB3 ASN 111 15.789 -4.155 9.149 915 1HD2 ASN 111 1HD2 ASN 111 17.610 -4.214 10.420 916 2HD2 ASN 111 2HD2 ASN 111 18.703 -2.883 10.551 917 H VAL 112 H VAL 112 15.171 -0.734 6.319 918 HA VAL 112 HA VAL 112 16.486 -2.149 4.313 919 HB VAL 112 HB VAL 112 16.751 0.827 4.701 920 1HG1 VAL 112 1HG1 VAL 112 17.947 -0.454 2.835 921 2HG1 VAL 112 3HG1 VAL 112 16.341 -0.673 2.138 922 3HG1 VAL 112 2HG1 VAL 112 16.983 0.950 2.378 923 1HG2 VAL 112 2HG2 VAL 112 14.379 -0.735 3.695 924 2HG2 VAL 112 1HG2 VAL 112 14.437 0.354 5.081 925 3HG2 VAL 112 3HG2 VAL 112 14.600 0.998 3.448 926 H LYS 113 H LYS 113 18.559 -2.607 3.874 927 HA LYS 113 HA LYS 113 20.553 -2.142 5.885 928 1HB LYS 113 HB2 LYS 113 20.626 -3.504 3.193 929 2HB LYS 113 HB3 LYS 113 22.028 -3.383 4.248 930 1HG LYS 113 HG2 LYS 113 19.431 -4.649 5.081 931 2HG LYS 113 HG3 LYS 113 20.775 -5.544 4.372 932 1HD LYS 113 HD2 LYS 113 22.225 -4.835 6.203 933 2HD LYS 113 HD3 LYS 113 20.897 -3.908 6.904 934 1HE LYS 113 HE2 LYS 113 19.613 -5.962 7.204 935 2HE LYS 113 HE3 LYS 113 20.928 -6.894 6.489 936 1HZ LYS 113 HZ3 LYS 113 22.360 -6.200 8.308 937 2HZ LYS 113 HZ2 LYS 113 21.096 -5.308 8.994 938 3HZ LYS 113 HZ1 LYS 113 20.986 -6.993 8.899 No H/Q in entry = 938 Start of MODEL 8 1 H1 GLY -2 HT3 GLY -2 6.058 -20.751 18.634 2 H2 GLY -2 HT2 GLY -2 6.518 -21.136 20.215 3 H3 GLY -2 HT1 GLY -2 5.272 -21.999 19.462 4 1HA GLY -2 HA2 GLY -2 5.195 -19.124 20.200 5 2HA GLY -2 HA3 GLY -2 4.380 -20.421 21.060 6 H SER -1 H SER -1 2.310 -20.692 20.585 7 HA SER -1 HA SER -1 1.245 -19.455 18.164 8 1HB SER -1 HB2 SER -1 -0.075 -21.469 17.609 9 2HB SER -1 HB3 SER -1 1.659 -21.779 17.514 10 HG SER -1 HG SER -1 -0.214 -22.677 19.393 11 H HIS 0 H HIS 0 -0.549 -18.349 18.594 12 HA HIS 0 HA HIS 0 -1.773 -18.621 21.217 13 1HB HIS 0 HB2 HIS 0 -2.283 -16.623 19.001 14 2HB HIS 0 HB3 HIS 0 -2.986 -16.557 20.613 15 HD1 HIS 0 HD1 HIS 0 0.030 -15.666 18.702 16 HD2 HIS 0 HD2 HIS 0 -1.099 -15.949 22.692 17 HE1 HIS 0 HE1 HIS 0 1.799 -14.427 19.992 18 HE2 HIS 0 HE2 HIS 0 1.048 -14.537 22.394 19 H MET 1 H MET 1 -3.126 -18.176 17.945 20 HA MET 1 HA MET 1 -5.081 -20.284 18.533 21 1HB MET 1 HB2 MET 1 -5.738 -17.565 17.387 22 2HB MET 1 HB3 MET 1 -6.867 -18.907 17.511 23 1HG MET 1 HG2 MET 1 -6.654 -18.862 19.943 24 2HG MET 1 HG3 MET 1 -5.525 -17.515 19.819 25 1HE MET 1 HE1 MET 1 -8.148 -17.464 21.639 26 2HE MET 1 HE3 MET 1 -7.020 -16.114 21.519 27 3HE MET 1 HE2 MET 1 -8.749 -15.840 21.300 28 H ILE 2 H ILE 2 -6.132 -21.154 16.607 29 HA ILE 2 HA ILE 2 -4.245 -21.313 14.401 30 HB ILE 2 HB ILE 2 -5.168 -23.395 15.287 31 1HG1 ILE 2 2HG1 ILE 2 -5.988 -24.365 13.138 32 2HG1 ILE 2 3HG1 ILE 2 -6.098 -22.735 12.483 33 1HG2 ILE 2 1HG2 ILE 2 -7.324 -22.574 16.043 34 2HG2 ILE 2 3HG2 ILE 2 -7.834 -22.324 14.373 35 3HG2 ILE 2 2HG2 ILE 2 -7.534 -23.956 14.969 36 1HD1 ILE 2 1HD1 ILE 2 -3.581 -24.086 13.426 37 2HD1 ILE 2 3HD1 ILE 2 -4.073 -23.852 11.749 38 3HD1 ILE 2 2HD1 ILE 2 -3.693 -22.457 12.761 39 H ALA 3 H ALA 3 -7.425 -20.046 15.094 40 HA ALA 3 HA ALA 3 -7.886 -19.406 12.284 41 1HB ALA 3 HB2 ALA 3 -9.742 -20.350 13.567 42 2HB ALA 3 HB1 ALA 3 -9.669 -18.984 14.679 43 3HB ALA 3 HB3 ALA 3 -10.115 -18.724 12.993 44 HA PRO 4 HA PRO 4 -6.353 -15.275 13.058 45 1HB PRO 4 HB2 PRO 4 -6.632 -14.292 10.584 46 2HB PRO 4 HB3 PRO 4 -5.413 -15.518 10.954 47 1HG PRO 4 HG2 PRO 4 -8.096 -15.837 9.666 48 2HG PRO 4 HG3 PRO 4 -6.552 -16.593 9.235 49 1HD PRO 4 HD2 PRO 4 -8.520 -17.823 10.713 50 2HD PRO 4 HD3 PRO 4 -6.801 -18.255 10.785 51 H LEU 5 H LEU 5 -9.349 -16.095 13.275 52 HA LEU 5 HA LEU 5 -10.846 -13.880 12.319 53 1HB LEU 5 HB2 LEU 5 -11.867 -16.052 12.804 54 2HB LEU 5 HB3 LEU 5 -11.485 -15.862 14.504 55 HG LEU 5 HG LEU 5 -12.991 -13.882 14.578 56 1HD1 LEU 5 3HD1 LEU 5 -13.704 -14.738 11.777 57 2HD1 LEU 5 2HD1 LEU 5 -14.548 -13.517 12.730 58 3HD1 LEU 5 1HD1 LEU 5 -12.879 -13.248 12.231 59 1HD2 LEU 5 2HD2 LEU 5 -13.786 -16.076 15.273 60 2HD2 LEU 5 1HD2 LEU 5 -15.075 -15.157 14.495 61 3HD2 LEU 5 3HD2 LEU 5 -14.251 -16.444 13.612 62 H SER 6 H SER 6 -9.987 -14.791 15.664 63 HA SER 6 HA SER 6 -10.766 -12.331 16.794 64 1HB SER 6 HB2 SER 6 -8.798 -14.383 17.838 65 2HB SER 6 HB3 SER 6 -9.514 -13.081 18.788 66 HG SER 6 HG SER 6 -11.135 -14.360 19.103 67 H VAL 7 H VAL 7 -7.422 -13.552 16.671 68 HA VAL 7 HA VAL 7 -6.434 -10.819 16.645 69 HB VAL 7 HB VAL 7 -4.202 -11.830 16.875 70 1HG1 VAL 7 1HG1 VAL 7 -5.503 -11.354 18.877 71 2HG1 VAL 7 3HG1 VAL 7 -6.253 -12.948 18.785 72 3HG1 VAL 7 2HG1 VAL 7 -4.524 -12.803 19.103 73 1HG2 VAL 7 2HG2 VAL 7 -5.683 -14.457 16.780 74 2HG2 VAL 7 1HG2 VAL 7 -4.556 -13.850 15.567 75 3HG2 VAL 7 3HG2 VAL 7 -3.978 -14.254 17.185 76 H LYS 8 H LYS 8 -4.204 -10.783 15.229 77 HA LYS 8 HA LYS 8 -4.310 -12.009 12.685 78 1HB LYS 8 HB2 LYS 8 -6.213 -10.469 12.392 79 2HB LYS 8 HB3 LYS 8 -5.168 -9.110 12.780 80 1HG LYS 8 HG2 LYS 8 -5.463 -9.238 10.403 81 2HG LYS 8 HG3 LYS 8 -3.793 -9.644 10.803 82 1HD LYS 8 HD2 LYS 8 -4.326 -12.025 10.605 83 2HD LYS 8 HD3 LYS 8 -5.995 -11.618 10.202 84 1HE LYS 8 HE2 LYS 8 -3.549 -10.854 8.611 85 2HE LYS 8 HE3 LYS 8 -4.697 -12.128 8.197 86 1HZ LYS 8 HZ3 LYS 8 -5.330 -9.233 8.402 87 2HZ LYS 8 HZ2 LYS 8 -5.143 -10.104 6.963 88 3HZ LYS 8 HZ1 LYS 8 -6.430 -10.456 8.002 89 H ASP 9 H ASP 9 -2.357 -11.917 11.790 90 HA ASP 9 HA ASP 9 -0.249 -10.564 13.169 91 1HB ASP 9 HB2 ASP 9 0.050 -12.788 12.097 92 2HB ASP 9 HB3 ASP 9 -0.152 -12.026 10.522 93 H ASN 10 H ASN 10 0.376 -8.534 12.860 94 HA ASN 10 HA ASN 10 -0.063 -7.312 10.234 95 1HB ASN 10 HB2 ASN 10 -0.322 -5.149 11.679 96 2HB ASN 10 HB3 ASN 10 -1.692 -6.220 11.438 97 1HD2 ASN 10 1HD2 ASN 10 -0.996 -4.281 13.555 98 2HD2 ASN 10 2HD2 ASN 10 -1.096 -5.176 15.023 99 H ASP 11 H ASP 11 1.238 -5.666 12.974 100 HA ASP 11 HA ASP 11 3.387 -4.535 11.765 101 1HB ASP 11 HB2 ASP 11 4.346 -4.425 14.137 102 2HB ASP 11 HB3 ASP 11 2.778 -3.684 13.855 103 H LYS 12 H LYS 12 4.632 -5.779 10.490 104 HA LYS 12 HA LYS 12 6.056 -8.041 11.691 105 1HB LYS 12 HB2 LYS 12 5.050 -8.698 9.653 106 2HB LYS 12 HB3 LYS 12 5.535 -7.215 8.841 107 1HG LYS 12 HG2 LYS 12 7.839 -7.911 8.866 108 2HG LYS 12 HG3 LYS 12 7.422 -9.365 9.774 109 1HD LYS 12 HD2 LYS 12 6.124 -10.206 7.929 110 2HD LYS 12 HD3 LYS 12 6.358 -8.705 7.030 111 1HE LYS 12 HE2 LYS 12 7.866 -10.353 6.160 112 2HE LYS 12 HE3 LYS 12 8.801 -9.145 7.043 113 1HZ LYS 12 HZ1 LYS 12 8.887 -10.650 8.935 114 2HZ LYS 12 HZ3 LYS 12 8.004 -11.812 8.078 115 3HZ LYS 12 HZ2 LYS 12 9.552 -11.374 7.559 116 H TRP 13 H TRP 13 7.714 -7.173 12.797 117 HA TRP 13 HA TRP 13 9.307 -5.029 11.705 118 1HB TRP 13 HB2 TRP 13 9.841 -6.487 14.278 119 2HB TRP 13 HB3 TRP 13 10.190 -4.813 13.864 120 HD1 TRP 13 HD1 TRP 13 7.120 -7.064 14.568 121 HE1 TRP 13 HE1 TRP 13 5.239 -5.599 15.525 122 HE3 TRP 13 HE3 TRP 13 9.408 -2.496 14.278 123 HZ2 TRP 13 HZ2 TRP 13 4.761 -2.874 16.076 124 HZ3 TRP 13 HZ3 TRP 13 8.173 -0.514 15.055 125 HH2 TRP 13 HH2 TRP 13 5.905 -0.702 15.941 126 H VAL 14 H VAL 14 10.694 -5.621 10.124 127 HA VAL 14 HA VAL 14 12.703 -7.647 10.818 128 HB VAL 14 HB VAL 14 12.522 -8.773 8.640 129 1HG1 VAL 14 2HG1 VAL 14 11.427 -9.742 10.594 130 2HG1 VAL 14 1HG1 VAL 14 9.963 -8.825 10.235 131 3HG1 VAL 14 3HG1 VAL 14 10.514 -10.077 9.121 132 1HG2 VAL 14 2HG2 VAL 14 11.461 -6.905 7.426 133 2HG2 VAL 14 1HG2 VAL 14 10.615 -8.436 7.199 134 3HG2 VAL 14 3HG2 VAL 14 9.960 -7.221 8.297 135 H ASP 15 H ASP 15 14.075 -7.880 8.567 136 HA ASP 15 HA ASP 15 15.036 -5.150 8.046 137 1HB ASP 15 HB2 ASP 15 16.336 -7.808 8.345 138 2HB ASP 15 HB3 ASP 15 17.085 -6.661 7.235 139 H THR 16 H THR 16 16.462 -5.351 5.798 140 HA THR 16 HA THR 16 15.366 -6.913 3.722 141 HB THR 16 HB THR 16 13.450 -5.270 4.322 142 HG1 THR 16 HG1 THR 16 14.158 -5.197 1.592 143 1HG2 THR 16 3HG2 THR 16 14.875 -3.250 4.342 144 2HG2 THR 16 2HG2 THR 16 15.153 -3.462 2.614 145 3HG2 THR 16 1HG2 THR 16 13.528 -3.125 3.210 146 H HIS 17 H HIS 17 15.721 -5.629 1.492 147 HA HIS 17 HA HIS 17 18.415 -4.443 1.636 148 1HB HIS 17 HB2 HIS 17 17.167 -6.138 -0.538 149 2HB HIS 17 HB3 HIS 17 18.722 -5.331 -0.684 150 HD1 HIS 17 HD1 HIS 17 17.055 -8.248 0.931 151 HD2 HIS 17 HD2 HIS 17 20.822 -6.504 0.769 152 HE1 HIS 17 HE1 HIS 17 18.624 -9.946 1.920 153 HE2 HIS 17 HE2 HIS 17 20.885 -8.833 1.891 154 H VAL 18 H VAL 18 18.601 -3.490 -0.966 155 HA VAL 18 HA VAL 18 16.875 -1.172 -0.770 156 HB VAL 18 HB VAL 18 18.988 -1.746 -2.848 157 1HG1 VAL 18 3HG1 VAL 18 17.613 0.810 -2.014 158 2HG1 VAL 18 2HG1 VAL 18 18.966 0.707 -3.139 159 3HG1 VAL 18 1HG1 VAL 18 17.421 -0.038 -3.548 160 1HG2 VAL 18 2HG2 VAL 18 19.950 -1.778 -0.606 161 2HG2 VAL 18 1HG2 VAL 18 20.463 -0.343 -1.492 162 3HG2 VAL 18 3HG2 VAL 18 19.210 -0.216 -0.257 163 H GLY 19 H GLY 19 15.121 -0.777 -1.898 164 1HA GLY 19 HA3 GLY 19 14.634 -1.515 -4.563 165 2HA GLY 19 HA2 GLY 19 13.430 -0.953 -3.420 166 H LYS 20 H LYS 20 14.238 -3.355 -1.660 167 HA LYS 20 HA LYS 20 13.614 -5.718 -3.008 168 1HB LYS 20 HB2 LYS 20 14.404 -5.200 -0.522 169 2HB LYS 20 HB3 LYS 20 12.689 -5.364 -0.197 170 1HG LYS 20 HG2 LYS 20 13.195 -7.524 0.068 171 2HG LYS 20 HG3 LYS 20 13.121 -7.565 -1.697 172 1HD LYS 20 HD2 LYS 20 15.477 -7.300 -1.879 173 2HD LYS 20 HD3 LYS 20 15.617 -6.941 -0.159 174 1HE LYS 20 HE2 LYS 20 16.352 -9.223 -0.652 175 2HE LYS 20 HE3 LYS 20 14.926 -9.218 0.385 176 1HZ LYS 20 HZ1 LYS 20 14.926 -9.677 -2.550 177 2HZ LYS 20 HZ3 LYS 20 14.740 -10.870 -1.364 178 3HZ LYS 20 HZ2 LYS 20 13.559 -9.674 -1.556 179 H THR 21 H THR 21 11.913 -5.177 -4.453 180 HA THR 21 HA THR 21 9.462 -4.063 -3.771 181 HB THR 21 HB THR 21 9.707 -6.208 -5.867 182 HG1 THR 21 HG1 THR 21 11.227 -4.038 -5.693 183 1HG2 THR 21 2HG2 THR 21 8.097 -3.655 -5.687 184 2HG2 THR 21 1HG2 THR 21 8.082 -4.783 -7.044 185 3HG2 THR 21 3HG2 THR 21 7.480 -5.292 -5.467 186 H THR 22 H THR 22 8.607 -4.837 -1.887 187 HA THR 22 HA THR 22 8.017 -7.691 -1.682 188 HB THR 22 HB THR 22 7.723 -5.444 0.323 189 HG1 THR 22 HG1 THR 22 9.462 -7.701 0.237 190 1HG2 THR 22 3HG2 THR 22 5.960 -7.113 0.665 191 2HG2 THR 22 2HG2 THR 22 7.175 -8.392 0.692 192 3HG2 THR 22 1HG2 THR 22 7.154 -7.169 1.963 193 H GLU 23 H GLU 23 6.322 -8.181 -2.900 194 HA GLU 23 HA GLU 23 4.012 -6.491 -3.106 195 1HB GLU 23 HB2 GLU 23 4.917 -7.879 -4.977 196 2HB GLU 23 HB3 GLU 23 4.428 -9.314 -4.087 197 1HG GLU 23 HG2 GLU 23 2.133 -8.756 -4.270 198 2HG GLU 23 HG3 GLU 23 2.519 -7.142 -4.872 199 H ILE 24 H ILE 24 2.150 -6.674 -2.015 200 HA ILE 24 HA ILE 24 1.732 -9.068 -0.369 201 HB ILE 24 HB ILE 24 1.276 -6.261 0.599 202 1HG1 ILE 24 2HG1 ILE 24 3.456 -8.227 1.310 203 2HG1 ILE 24 3HG1 ILE 24 3.670 -6.740 0.394 204 1HG2 ILE 24 3HG2 ILE 24 -0.256 -7.927 1.533 205 2HG2 ILE 24 2HG2 ILE 24 1.121 -8.905 2.042 206 3HG2 ILE 24 1HG2 ILE 24 0.856 -7.316 2.759 207 1HD1 ILE 24 1HD1 ILE 24 2.886 -5.487 2.402 208 2HD1 ILE 24 3HD1 ILE 24 2.931 -7.011 3.290 209 3HD1 ILE 24 2HD1 ILE 24 4.413 -6.345 2.605 210 H HIS 25 H HIS 25 0.039 -9.900 -1.452 211 HA HIS 25 HA HIS 25 -2.194 -8.250 -2.252 212 1HB HIS 25 HB2 HIS 25 -2.194 -11.255 -2.233 213 2HB HIS 25 HB3 HIS 25 -3.059 -10.163 -3.300 214 HD1 HIS 25 HD1 HIS 25 -0.318 -12.386 -3.364 215 HD2 HIS 25 HD2 HIS 25 -1.030 -8.617 -4.962 216 HE1 HIS 25 HE1 HIS 25 1.334 -12.128 -5.242 217 HE2 HIS 25 HE2 HIS 25 0.796 -9.894 -6.273 218 H LEU 26 H LEU 26 -3.491 -7.560 -0.683 219 HA LEU 26 HA LEU 26 -4.006 -9.293 1.627 220 1HB LEU 26 HB2 LEU 26 -4.666 -6.379 1.264 221 2HB LEU 26 HB3 LEU 26 -4.807 -7.296 2.747 222 HG LEU 26 HG LEU 26 -2.153 -6.903 1.386 223 1HD1 LEU 26 2HD1 LEU 26 -3.092 -4.692 1.786 224 2HD1 LEU 26 1HD1 LEU 26 -3.425 -5.126 3.463 225 3HD1 LEU 26 3HD1 LEU 26 -1.759 -5.019 2.893 226 1HD2 LEU 26 3HD2 LEU 26 -2.453 -8.668 3.142 227 2HD2 LEU 26 2HD2 LEU 26 -1.233 -7.450 3.512 228 3HD2 LEU 26 1HD2 LEU 26 -2.818 -7.375 4.286 229 H LYS 27 H LYS 27 -6.093 -9.818 2.238 230 HA LYS 27 HA LYS 27 -8.037 -9.656 0.074 231 1HB LYS 27 HB2 LYS 27 -8.338 -11.165 2.663 232 2HB LYS 27 HB3 LYS 27 -9.236 -11.399 1.172 233 1HG LYS 27 HG2 LYS 27 -7.106 -12.101 0.079 234 2HG LYS 27 HG3 LYS 27 -6.341 -12.042 1.669 235 1HD LYS 27 HD2 LYS 27 -7.930 -13.702 2.504 236 2HD LYS 27 HD3 LYS 27 -8.703 -13.763 0.918 237 1HE LYS 27 HE2 LYS 27 -6.607 -14.553 -0.068 238 2HE LYS 27 HE3 LYS 27 -5.840 -14.498 1.519 239 1HZ LYS 27 HZ2 LYS 27 -7.411 -16.160 2.297 240 2HZ LYS 27 HZ1 LYS 27 -8.147 -16.214 0.775 241 3HZ LYS 27 HZ3 LYS 27 -6.548 -16.735 0.960 242 H GLY 28 H GLY 28 -10.333 -9.275 0.679 243 1HA GLY 28 HA3 GLY 28 -10.527 -6.737 1.966 244 2HA GLY 28 HA2 GLY 28 -11.214 -8.010 2.958 245 H ASN 29 H ASN 29 -12.327 -5.651 1.390 246 HA ASN 29 HA ASN 29 -13.881 -6.605 -0.750 247 1HB ASN 29 HB2 ASN 29 -14.913 -7.933 1.124 248 2HB ASN 29 HB3 ASN 29 -15.423 -6.409 1.843 249 1HD2 ASN 29 1HD2 ASN 29 -17.592 -6.914 1.670 250 2HD2 ASN 29 2HD2 ASN 29 -18.422 -6.926 0.156 251 HA PRO 30 HA PRO 30 -13.432 -2.018 -0.412 252 1HB PRO 30 HB2 PRO 30 -14.157 -2.446 -3.273 253 2HB PRO 30 HB3 PRO 30 -12.925 -1.393 -2.571 254 1HG PRO 30 HG2 PRO 30 -12.233 -3.674 -3.737 255 2HG PRO 30 HG3 PRO 30 -11.434 -3.150 -2.243 256 1HD PRO 30 HD2 PRO 30 -13.521 -5.245 -2.647 257 2HD PRO 30 HD3 PRO 30 -12.134 -5.233 -1.541 258 H THR 31 H THR 31 -16.028 -4.092 -1.370 259 HA THR 31 HA THR 31 -17.930 -1.960 -1.776 260 HB THR 31 HB THR 31 -19.597 -3.726 -2.014 261 HG1 THR 31 HG1 THR 31 -18.505 -5.964 -1.967 262 1HG2 THR 31 3HG2 THR 31 -18.218 -3.177 -3.955 263 2HG2 THR 31 2HG2 THR 31 -17.022 -4.372 -3.453 264 3HG2 THR 31 1HG2 THR 31 -18.634 -4.890 -3.947 265 H THR 32 H THR 32 -16.462 -2.734 0.912 266 HA THR 32 HA THR 32 -18.847 -2.898 2.612 267 HB THR 32 HB THR 32 -17.272 -3.323 4.473 268 HG1 THR 32 HG1 THR 32 -15.091 -3.523 4.060 269 1HG2 THR 32 1HG2 THR 32 -16.901 -5.133 2.085 270 2HG2 THR 32 3HG2 THR 32 -16.574 -5.567 3.762 271 3HG2 THR 32 2HG2 THR 32 -18.223 -5.208 3.249 272 H GLY 33 H GLY 33 -15.720 -1.167 2.722 273 1HA GLY 33 HA3 GLY 33 -16.852 0.922 4.347 274 2HA GLY 33 HA2 GLY 33 -16.579 1.416 2.683 275 H TYR 34 H TYR 34 -14.647 -0.696 4.795 276 HA TYR 34 HA TYR 34 -12.645 1.284 5.251 277 1HB TYR 34 HB2 TYR 34 -12.606 -1.707 5.672 278 2HB TYR 34 HB3 TYR 34 -11.326 -0.617 6.194 279 HD1 TYR 34 HD1 TYR 34 -14.841 -1.587 6.724 280 HD2 TYR 34 HD2 TYR 34 -11.564 0.717 8.182 281 HE1 TYR 34 HE1 TYR 34 -16.046 -1.215 8.834 282 HE2 TYR 34 HE2 TYR 34 -12.767 1.090 10.292 283 HH TYR 34 HH TYR 34 -15.535 -0.657 11.173 284 H MET 35 H MET 35 -10.256 0.475 4.817 285 HA MET 35 HA MET 35 -9.884 -0.605 2.162 286 1HB MET 35 HB2 MET 35 -10.005 1.551 1.371 287 2HB MET 35 HB3 MET 35 -9.543 2.250 2.918 288 1HG MET 35 HG2 MET 35 -7.225 1.485 2.517 289 2HG MET 35 HG3 MET 35 -7.730 0.943 0.933 290 1HE MET 35 HE3 MET 35 -9.768 3.156 0.017 291 2HE MET 35 HE2 MET 35 -8.723 4.295 -0.831 292 3HE MET 35 HE1 MET 35 -8.493 2.560 -1.045 293 H TRP 36 H TRP 36 -7.725 -1.229 1.787 294 HA TRP 36 HA TRP 36 -6.074 -1.318 4.219 295 1HB TRP 36 HB2 TRP 36 -6.733 -3.307 2.183 296 2HB TRP 36 HB3 TRP 36 -5.012 -3.177 2.502 297 HD1 TRP 36 HD1 TRP 36 -7.786 -5.163 3.570 298 HE1 TRP 36 HE1 TRP 36 -7.466 -6.106 5.943 299 HE3 TRP 36 HE3 TRP 36 -3.963 -2.155 5.120 300 HZ2 TRP 36 HZ2 TRP 36 -5.807 -5.633 8.179 301 HZ3 TRP 36 HZ3 TRP 36 -3.063 -2.463 7.385 302 HH2 TRP 36 HH2 TRP 36 -3.970 -4.165 8.883 303 H THR 37 H THR 37 -5.041 0.654 3.881 304 HA THR 37 HA THR 37 -3.074 0.609 1.697 305 HB THR 37 HB THR 37 -5.062 2.082 1.128 306 HG1 THR 37 HG1 THR 37 -3.610 3.809 0.445 307 1HG2 THR 37 1HG2 THR 37 -3.850 3.795 3.305 308 2HG2 THR 37 3HG2 THR 37 -5.113 4.299 2.182 309 3HG2 THR 37 2HG2 THR 37 -5.434 3.021 3.353 310 H ARG 38 H ARG 38 -1.761 2.996 2.222 311 HA ARG 38 HA ARG 38 -0.407 2.336 4.684 312 1HB ARG 38 HB2 ARG 38 0.143 4.086 2.354 313 2HB ARG 38 HB3 ARG 38 0.846 4.582 3.882 314 1HG ARG 38 HG2 ARG 38 2.087 2.607 4.081 315 2HG ARG 38 HG3 ARG 38 1.177 1.820 2.790 316 1HD ARG 38 HD2 ARG 38 3.517 2.731 2.277 317 2HD ARG 38 HD3 ARG 38 2.245 3.027 1.125 318 HE ARG 38 HE ARG 38 2.178 5.299 1.922 319 1HH1 ARG 38 1HH1 ARG 38 4.836 3.369 3.081 320 2HH1 ARG 38 2HH1 ARG 38 5.848 4.732 3.423 321 1HH2 ARG 38 1HH2 ARG 38 3.516 7.103 2.358 322 2HH2 ARG 38 2HH2 ARG 38 5.099 6.850 3.015 323 H VAL 39 H VAL 39 -0.328 3.505 6.550 324 HA VAL 39 HA VAL 39 -2.553 4.929 7.384 325 HB VAL 39 HB VAL 39 0.206 5.262 8.558 326 1HG1 VAL 39 2HG1 VAL 39 -2.545 5.443 9.780 327 2HG1 VAL 39 1HG1 VAL 39 -1.021 5.593 10.655 328 3HG1 VAL 39 3HG1 VAL 39 -1.463 6.793 9.440 329 1HG2 VAL 39 1HG2 VAL 39 -1.762 3.012 8.833 330 2HG2 VAL 39 3HG2 VAL 39 -0.046 2.936 8.429 331 3HG2 VAL 39 2HG2 VAL 39 -0.549 3.353 10.067 332 H GLY 40 H GLY 40 -3.039 7.089 7.670 333 1HA GLY 40 HA3 GLY 40 -1.245 9.220 7.151 334 2HA GLY 40 HA2 GLY 40 -2.994 9.352 7.266 335 H PHE 41 H PHE 41 -2.406 7.037 5.041 336 HA PHE 41 HA PHE 41 -2.603 8.945 2.815 337 1HB PHE 41 HB2 PHE 41 -1.030 6.379 2.824 338 2HB PHE 41 HB3 PHE 41 -1.226 7.451 1.452 339 HD1 PHE 41 HD1 PHE 41 -0.867 10.066 2.492 340 HD2 PHE 41 HD2 PHE 41 1.166 6.484 3.549 341 HE1 PHE 41 HE1 PHE 41 1.080 11.393 3.216 342 HE2 PHE 41 HE2 PHE 41 3.115 7.799 4.281 343 HZ PHE 41 HZ PHE 41 3.073 10.256 4.115 344 H VAL 42 H VAL 42 -4.825 8.167 3.868 345 HA VAL 42 HA VAL 42 -5.828 5.916 2.265 346 HB VAL 42 HB VAL 42 -7.167 7.262 4.617 347 1HG1 VAL 42 1HG1 VAL 42 -8.565 6.018 2.903 348 2HG1 VAL 42 3HG1 VAL 42 -7.746 4.555 3.448 349 3HG1 VAL 42 2HG1 VAL 42 -8.722 5.495 4.578 350 1HG2 VAL 42 1HG2 VAL 42 -4.918 6.034 4.989 351 2HG2 VAL 42 3HG2 VAL 42 -6.282 5.662 6.038 352 3HG2 VAL 42 2HG2 VAL 42 -5.865 4.571 4.720 353 H GLY 43 H GLY 43 -6.996 6.397 0.508 354 1HA GLY 43 HA3 GLY 43 -8.795 8.653 0.447 355 2HA GLY 43 HA2 GLY 43 -8.475 7.535 -0.877 356 H LYS 44 H LYS 44 -5.567 8.299 0.153 357 HA LYS 44 HA LYS 44 -5.050 10.927 -0.738 358 1HB LYS 44 HB2 LYS 44 -2.667 10.111 -0.664 359 2HB LYS 44 HB3 LYS 44 -3.562 9.848 0.825 360 1HG LYS 44 HG2 LYS 44 -2.513 7.851 0.580 361 2HG LYS 44 HG3 LYS 44 -4.057 7.516 -0.191 362 1HD LYS 44 HD2 LYS 44 -2.149 8.600 -2.058 363 2HD LYS 44 HD3 LYS 44 -1.519 7.164 -1.258 364 1HE LYS 44 HE2 LYS 44 -4.147 7.384 -2.725 365 2HE LYS 44 HE3 LYS 44 -2.698 6.568 -3.308 366 1HZ LYS 44 HZ2 LYS 44 -4.109 5.792 -0.820 367 2HZ LYS 44 HZ1 LYS 44 -4.423 5.087 -2.325 368 3HZ LYS 44 HZ3 LYS 44 -2.891 4.939 -1.624 369 H ASP 45 H ASP 45 -2.814 10.671 -2.336 370 HA ASP 45 HA ASP 45 -3.935 9.747 -4.883 371 1HB ASP 45 HB2 ASP 45 -2.002 11.927 -4.142 372 2HB ASP 45 HB3 ASP 45 -2.055 11.288 -5.776 373 H VAL 46 H VAL 46 -0.940 9.930 -3.005 374 HA VAL 46 HA VAL 46 -0.107 7.333 -4.043 375 HB VAL 46 HB VAL 46 0.892 9.321 -5.372 376 1HG1 VAL 46 3HG1 VAL 46 1.546 10.668 -3.445 377 2HG1 VAL 46 2HG1 VAL 46 2.661 9.400 -2.936 378 3HG1 VAL 46 1HG1 VAL 46 2.938 10.261 -4.451 379 1HG2 VAL 46 2HG2 VAL 46 2.648 7.164 -4.206 380 2HG2 VAL 46 1HG2 VAL 46 1.615 7.019 -5.629 381 3HG2 VAL 46 3HG2 VAL 46 3.009 8.100 -5.657 382 H LEU 47 H LEU 47 0.613 6.085 -2.507 383 HA LEU 47 HA LEU 47 0.743 6.940 0.196 384 1HB LEU 47 HB2 LEU 47 1.857 4.388 -0.957 385 2HB LEU 47 HB3 LEU 47 1.328 4.669 0.687 386 HG LEU 47 HG LEU 47 -0.469 4.598 -1.740 387 1HD1 LEU 47 3HD1 LEU 47 0.488 2.406 -1.099 388 2HD1 LEU 47 2HD1 LEU 47 -0.190 2.613 0.516 389 3HD1 LEU 47 1HD1 LEU 47 -1.262 2.489 -0.880 390 1HD2 LEU 47 3HD2 LEU 47 -1.230 6.106 0.081 391 2HD2 LEU 47 2HD2 LEU 47 -2.299 4.727 -0.176 392 3HD2 LEU 47 1HD2 LEU 47 -1.184 4.736 1.189 393 H SER 48 H SER 48 3.209 5.453 -1.828 394 HA SER 48 HA SER 48 5.467 5.901 -0.378 395 1HB SER 48 HB2 SER 48 5.403 4.633 -2.488 396 2HB SER 48 HB3 SER 48 5.223 6.139 -3.382 397 HG SER 48 HG SER 48 7.366 6.034 -1.642 398 H ASP 49 H ASP 49 7.331 7.398 -1.118 399 HA ASP 49 HA ASP 49 6.565 10.068 -1.886 400 1HB ASP 49 HB2 ASP 49 7.408 9.443 0.939 401 2HB ASP 49 HB3 ASP 49 7.605 11.046 0.235 402 H GLU 50 H GLU 50 9.223 9.144 0.222 403 HA GLU 50 HA GLU 50 11.090 9.298 -2.032 404 1HB GLU 50 HB2 GLU 50 12.552 10.768 -0.791 405 2HB GLU 50 HB3 GLU 50 10.952 11.491 -0.897 406 1HG GLU 50 HG2 GLU 50 10.452 10.791 1.367 407 2HG GLU 50 HG3 GLU 50 12.033 10.019 1.490 408 H ILE 51 H ILE 51 10.357 8.224 1.214 409 HA ILE 51 HA ILE 51 12.806 6.824 1.649 410 HB ILE 51 HB ILE 51 10.162 6.347 3.013 411 1HG1 ILE 51 2HG1 ILE 51 10.800 8.749 3.021 412 2HG1 ILE 51 3HG1 ILE 51 10.790 8.029 4.624 413 1HG2 ILE 51 3HG2 ILE 51 13.012 5.851 3.854 414 2HG2 ILE 51 2HG2 ILE 51 11.609 5.672 4.908 415 3HG2 ILE 51 1HG2 ILE 51 11.785 4.639 3.490 416 1HD1 ILE 51 1HD1 ILE 51 13.248 8.491 2.952 417 2HD1 ILE 51 3HD1 ILE 51 12.697 9.527 4.269 418 3HD1 ILE 51 2HD1 ILE 51 13.201 7.870 4.603 419 H LEU 52 H LEU 52 9.621 5.305 1.753 420 HA LEU 52 HA LEU 52 10.727 3.002 0.320 421 1HB LEU 52 HB2 LEU 52 8.564 3.410 2.300 422 2HB LEU 52 HB3 LEU 52 8.292 2.163 1.099 423 HG LEU 52 HG LEU 52 10.765 2.255 2.809 424 1HD1 LEU 52 1HD1 LEU 52 8.188 0.778 3.320 425 2HD1 LEU 52 3HD1 LEU 52 9.689 0.563 4.219 426 3HD1 LEU 52 2HD1 LEU 52 8.839 2.106 4.280 427 1HD2 LEU 52 1HD2 LEU 52 10.700 0.931 0.654 428 2HD2 LEU 52 3HD2 LEU 52 11.104 0.027 2.113 429 3HD2 LEU 52 2HD2 LEU 52 9.483 -0.085 1.425 430 H GLU 53 H GLU 53 10.379 2.924 -1.823 431 HA GLU 53 HA GLU 53 8.342 4.390 -3.140 432 1HB GLU 53 HB2 GLU 53 10.487 2.557 -3.882 433 2HB GLU 53 HB3 GLU 53 9.057 2.361 -4.884 434 1HG GLU 53 HG2 GLU 53 9.969 5.119 -4.412 435 2HG GLU 53 HG3 GLU 53 11.008 4.098 -5.402 436 H VAL 54 H VAL 54 6.627 3.584 -1.623 437 HA VAL 54 HA VAL 54 5.716 0.893 -1.895 438 HB VAL 54 HB VAL 54 4.118 3.196 -0.795 439 1HG1 VAL 54 2HG1 VAL 54 2.880 1.146 -1.211 440 2HG1 VAL 54 1HG1 VAL 54 4.060 0.226 -0.277 441 3HG1 VAL 54 3HG1 VAL 54 3.047 1.428 0.520 442 1HG2 VAL 54 3HG2 VAL 54 6.319 1.589 0.460 443 2HG2 VAL 54 2HG2 VAL 54 6.101 3.339 0.436 444 3HG2 VAL 54 1HG2 VAL 54 5.049 2.332 1.430 445 H VAL 55 H VAL 55 5.473 0.707 -4.170 446 HA VAL 55 HA VAL 55 3.414 2.255 -5.479 447 HB VAL 55 HB VAL 55 4.785 -0.222 -6.503 448 1HG1 VAL 55 3HG1 VAL 55 2.661 0.591 -7.590 449 2HG1 VAL 55 2HG1 VAL 55 3.548 2.044 -8.048 450 3HG1 VAL 55 1HG1 VAL 55 4.062 0.471 -8.657 451 1HG2 VAL 55 2HG2 VAL 55 5.606 2.665 -6.837 452 2HG2 VAL 55 1HG2 VAL 55 6.474 1.435 -5.919 453 3HG2 VAL 55 3HG2 VAL 55 6.335 1.292 -7.671 454 H CYS 56 H CYS 56 1.657 1.737 -4.154 455 HA CYS 56 HA CYS 56 0.767 -1.050 -4.152 456 1HB CYS 56 HB2 CYS 56 0.751 -0.079 -1.969 457 2HB CYS 56 HB3 CYS 56 -0.107 1.344 -2.547 458 HG CYS 56 HG CYS 56 -1.538 -1.750 -2.654 459 H LYS 57 H LYS 57 -0.797 -1.726 -5.411 460 HA LYS 57 HA LYS 57 -2.445 0.278 -6.789 461 1HB LYS 57 HB2 LYS 57 -2.127 -2.572 -7.665 462 2HB LYS 57 HB3 LYS 57 -2.643 -1.189 -8.615 463 1HG LYS 57 HG2 LYS 57 -0.384 -0.277 -8.539 464 2HG LYS 57 HG3 LYS 57 0.143 -1.655 -7.569 465 1HD LYS 57 HD2 LYS 57 -0.453 -3.168 -9.406 466 2HD LYS 57 HD3 LYS 57 -0.954 -1.782 -10.377 467 1HE LYS 57 HE2 LYS 57 1.824 -2.294 -9.320 468 2HE LYS 57 HE3 LYS 57 1.291 -2.528 -10.985 469 1HZ LYS 57 HZ3 LYS 57 1.337 0.063 -9.534 470 2HZ LYS 57 HZ2 LYS 57 2.446 -0.427 -10.713 471 3HZ LYS 57 HZ1 LYS 57 0.829 -0.161 -11.133 472 H TYR 58 H TYR 58 -4.286 0.497 -5.726 473 HA TYR 58 HA TYR 58 -5.472 -1.713 -4.301 474 1HB TYR 58 HB2 TYR 58 -5.559 0.644 -3.429 475 2HB TYR 58 HB3 TYR 58 -6.630 1.049 -4.767 476 HD1 TYR 58 HD1 TYR 58 -8.430 -1.304 -4.823 477 HD2 TYR 58 HD2 TYR 58 -6.844 0.869 -1.508 478 HE1 TYR 58 HE1 TYR 58 -10.353 -2.000 -3.486 479 HE2 TYR 58 HE2 TYR 58 -8.794 0.196 -0.161 480 HH TYR 58 HH TYR 58 -11.113 -0.553 -0.499 481 H THR 59 H THR 59 -6.310 -3.236 -5.559 482 HA THR 59 HA THR 59 -7.956 -2.444 -7.856 483 HB THR 59 HB THR 59 -7.243 -5.296 -7.266 484 HG1 THR 59 HG1 THR 59 -5.196 -4.995 -7.788 485 1HG2 THR 59 3HG2 THR 59 -7.546 -3.702 -9.818 486 2HG2 THR 59 2HG2 THR 59 -7.227 -5.434 -9.719 487 3HG2 THR 59 1HG2 THR 59 -8.754 -4.783 -9.124 488 HA PRO 60 HA PRO 60 -11.367 -3.711 -5.242 489 1HB PRO 60 HB2 PRO 60 -13.231 -2.228 -6.449 490 2HB PRO 60 HB3 PRO 60 -11.967 -1.492 -5.463 491 1HG PRO 60 HG2 PRO 60 -12.288 -1.523 -8.402 492 2HG PRO 60 HG3 PRO 60 -11.458 -0.347 -7.373 493 1HD PRO 60 HD2 PRO 60 -10.309 -2.496 -8.869 494 2HD PRO 60 HD3 PRO 60 -9.488 -1.332 -7.812 495 H THR 61 H THR 61 -13.867 -4.095 -6.011 496 HA THR 61 HA THR 61 -13.757 -6.528 -7.519 497 HB THR 61 HB THR 61 -16.444 -5.818 -7.111 498 HG1 THR 61 HG1 THR 61 -16.358 -4.455 -5.503 499 1HG2 THR 61 3HG2 THR 61 -14.615 -7.534 -5.429 500 2HG2 THR 61 2HG2 THR 61 -16.379 -7.585 -5.405 501 3HG2 THR 61 1HG2 THR 61 -15.503 -8.060 -6.860 502 HA PRO 62 HA PRO 62 -14.879 -5.248 -11.574 503 1HB PRO 62 HB2 PRO 62 -17.123 -7.190 -11.517 504 2HB PRO 62 HB3 PRO 62 -15.766 -7.070 -12.642 505 1HG PRO 62 HG2 PRO 62 -15.837 -8.998 -10.806 506 2HG PRO 62 HG3 PRO 62 -14.314 -8.184 -11.209 507 1HD PRO 62 HD2 PRO 62 -16.101 -7.788 -8.844 508 2HD PRO 62 HD3 PRO 62 -14.328 -7.836 -8.922 509 H SER 63 H SER 63 -15.918 -3.475 -12.165 510 HA SER 63 HA SER 63 -18.363 -2.691 -10.805 511 1HB SER 63 HB2 SER 63 -16.658 -1.222 -12.831 512 2HB SER 63 HB3 SER 63 -18.034 -0.534 -11.972 513 HG SER 63 HG SER 63 -15.947 -0.079 -11.022 514 H SER 64 H SER 64 -19.662 -1.187 -12.677 515 HA SER 64 HA SER 64 -21.204 -3.093 -14.046 516 1HB SER 64 HB2 SER 64 -22.108 -0.917 -13.378 517 2HB SER 64 HB3 SER 64 -21.017 -0.104 -14.499 518 HG SER 64 HG SER 64 -22.219 -0.723 -16.150 519 H THR 65 H THR 65 -18.227 -1.667 -14.844 520 HA THR 65 HA THR 65 -18.346 -1.535 -17.636 521 HB THR 65 HB THR 65 -15.890 -1.734 -17.596 522 HG1 THR 65 HG1 THR 65 -16.422 -2.925 -15.198 523 1HG2 THR 65 1HG2 THR 65 -16.910 0.429 -17.093 524 2HG2 THR 65 3HG2 THR 65 -16.998 0.000 -15.384 525 3HG2 THR 65 2HG2 THR 65 -15.429 0.205 -16.164 526 HA PRO 66 HA PRO 66 -18.334 -5.755 -18.938 527 1HB PRO 66 HB2 PRO 66 -16.991 -5.643 -21.267 528 2HB PRO 66 HB3 PRO 66 -18.583 -4.897 -21.075 529 1HG PRO 66 HG2 PRO 66 -15.866 -3.628 -20.900 530 2HG PRO 66 HG3 PRO 66 -17.293 -3.071 -21.798 531 1HD PRO 66 HD2 PRO 66 -16.621 -2.058 -19.386 532 2HD PRO 66 HD3 PRO 66 -18.313 -2.242 -19.892 533 H MET 67 H MET 67 -15.798 -4.432 -17.568 534 HA MET 67 HA MET 67 -13.789 -6.408 -18.292 535 1HB MET 67 HB2 MET 67 -13.790 -3.920 -16.622 536 2HB MET 67 HB3 MET 67 -12.511 -5.107 -16.408 537 1HG MET 67 HG2 MET 67 -11.889 -3.289 -17.935 538 2HG MET 67 HG3 MET 67 -11.838 -4.875 -18.701 539 1HE MET 67 HE2 MET 67 -13.982 -5.800 -20.157 540 2HE MET 67 HE1 MET 67 -14.243 -4.730 -21.534 541 3HE MET 67 HE3 MET 67 -12.603 -5.143 -21.036 542 H VAL 68 H VAL 68 -15.457 -8.039 -17.428 543 HA VAL 68 HA VAL 68 -15.941 -8.321 -14.695 544 HB VAL 68 HB VAL 68 -16.413 -10.694 -15.278 545 1HG1 VAL 68 2HG1 VAL 68 -18.147 -9.000 -15.436 546 2HG1 VAL 68 1HG1 VAL 68 -17.638 -8.622 -17.082 547 3HG1 VAL 68 3HG1 VAL 68 -18.333 -10.201 -16.714 548 1HG2 VAL 68 3HG2 VAL 68 -14.735 -10.985 -17.022 549 2HG2 VAL 68 2HG2 VAL 68 -16.348 -11.380 -17.619 550 3HG2 VAL 68 1HG2 VAL 68 -15.602 -9.839 -18.046 551 H GLY 69 H GLY 69 -14.832 -9.252 -13.068 552 1HA GLY 69 HA3 GLY 69 -12.573 -10.980 -13.537 553 2HA GLY 69 HA2 GLY 69 -13.177 -10.450 -11.974 554 H VAL 70 H VAL 70 -12.824 -7.990 -11.611 555 HA VAL 70 HA VAL 70 -10.408 -6.956 -12.815 556 HB VAL 70 HB VAL 70 -12.113 -5.773 -10.628 557 1HG1 VAL 70 1HG1 VAL 70 -9.931 -4.548 -12.314 558 2HG1 VAL 70 3HG1 VAL 70 -10.969 -3.669 -11.192 559 3HG1 VAL 70 2HG1 VAL 70 -9.853 -4.891 -10.586 560 1HG2 VAL 70 2HG2 VAL 70 -13.352 -6.030 -12.712 561 2HG2 VAL 70 1HG2 VAL 70 -13.014 -4.329 -12.390 562 3HG2 VAL 70 3HG2 VAL 70 -12.064 -5.204 -13.590 563 H GLY 71 H GLY 71 -11.133 -6.589 -9.431 564 1HA GLY 71 HA3 GLY 71 -8.809 -6.548 -8.250 565 2HA GLY 71 HA2 GLY 71 -8.831 -8.244 -8.698 566 H GLY 72 H GLY 72 -9.879 -5.874 -6.460 567 1HA GLY 72 HA3 GLY 72 -11.620 -7.829 -5.114 568 2HA GLY 72 HA2 GLY 72 -11.640 -6.093 -4.839 569 H ILE 73 H ILE 73 -8.560 -6.292 -4.895 570 HA ILE 73 HA ILE 73 -8.321 -6.901 -2.051 571 HB ILE 73 HB ILE 73 -6.160 -8.018 -2.415 572 1HG1 ILE 73 2HG1 ILE 73 -6.858 -8.495 -5.271 573 2HG1 ILE 73 3HG1 ILE 73 -6.015 -7.011 -4.826 574 1HG2 ILE 73 2HG2 ILE 73 -8.284 -9.255 -2.083 575 2HG2 ILE 73 1HG2 ILE 73 -8.358 -9.474 -3.832 576 3HG2 ILE 73 3HG2 ILE 73 -7.014 -10.160 -2.912 577 1HD1 ILE 73 1HD1 ILE 73 -4.244 -8.348 -3.784 578 2HD1 ILE 73 3HD1 ILE 73 -5.079 -9.820 -4.282 579 3HD1 ILE 73 2HD1 ILE 73 -4.437 -8.717 -5.501 580 H TYR 74 H TYR 74 -5.555 -6.577 -1.894 581 HA TYR 74 HA TYR 74 -5.040 -3.882 -2.921 582 1HB TYR 74 HB2 TYR 74 -4.273 -4.499 -0.102 583 2HB TYR 74 HB3 TYR 74 -4.692 -2.953 -0.837 584 HD1 TYR 74 HD1 TYR 74 -6.880 -2.094 -0.673 585 HD2 TYR 74 HD2 TYR 74 -6.143 -6.138 0.418 586 HE1 TYR 74 HE1 TYR 74 -9.140 -2.251 0.289 587 HE2 TYR 74 HE2 TYR 74 -8.395 -6.300 1.374 588 HH TYR 74 HH TYR 74 -10.800 -3.977 0.823 589 H VAL 75 H VAL 75 -3.222 -4.175 -4.121 590 HA VAL 75 HA VAL 75 -1.191 -6.031 -3.092 591 HB VAL 75 HB VAL 75 -1.873 -6.627 -5.317 592 1HG1 VAL 75 3HG1 VAL 75 -1.204 -3.793 -6.079 593 2HG1 VAL 75 2HG1 VAL 75 -1.541 -5.089 -7.225 594 3HG1 VAL 75 1HG1 VAL 75 -2.795 -4.555 -6.104 595 1HG2 VAL 75 3HG2 VAL 75 0.486 -6.904 -4.786 596 2HG2 VAL 75 2HG2 VAL 75 0.264 -6.527 -6.495 597 3HG2 VAL 75 1HG2 VAL 75 0.822 -5.278 -5.381 598 H VAL 76 H VAL 76 0.324 -5.100 -1.958 599 HA VAL 76 HA VAL 76 1.130 -2.345 -2.590 600 HB VAL 76 HB VAL 76 1.718 -3.921 -0.085 601 1HG1 VAL 76 2HG1 VAL 76 1.970 -0.989 -0.735 602 2HG1 VAL 76 1HG1 VAL 76 2.201 -1.696 0.864 603 3HG1 VAL 76 3HG1 VAL 76 3.288 -2.127 -0.456 604 1HG2 VAL 76 1HG2 VAL 76 -0.710 -3.573 -0.433 605 2HG2 VAL 76 3HG2 VAL 76 -0.081 -2.733 0.985 606 3HG2 VAL 76 2HG2 VAL 76 -0.418 -1.835 -0.494 607 H LEU 77 H LEU 77 3.026 -1.988 -3.563 608 HA LEU 77 HA LEU 77 5.120 -4.052 -3.380 609 1HB LEU 77 HB2 LEU 77 4.630 -1.924 -5.463 610 2HB LEU 77 HB3 LEU 77 6.087 -2.892 -5.401 611 HG LEU 77 HG LEU 77 3.282 -3.951 -5.810 612 1HD1 LEU 77 1HD1 LEU 77 4.098 -2.711 -7.741 613 2HD1 LEU 77 3HD1 LEU 77 5.583 -3.663 -7.738 614 3HD1 LEU 77 2HD1 LEU 77 4.038 -4.441 -8.083 615 1HD2 LEU 77 2HD2 LEU 77 5.066 -5.387 -4.603 616 2HD2 LEU 77 1HD2 LEU 77 4.160 -6.087 -5.947 617 3HD2 LEU 77 3HD2 LEU 77 5.804 -5.505 -6.201 618 H VAL 78 H VAL 78 6.336 -3.490 -1.656 619 HA VAL 78 HA VAL 78 6.992 -0.667 -1.268 620 HB VAL 78 HB VAL 78 8.198 -2.394 0.687 621 1HG1 VAL 78 1HG1 VAL 78 7.717 -0.018 1.008 622 2HG1 VAL 78 3HG1 VAL 78 5.985 -0.340 0.868 623 3HG1 VAL 78 2HG1 VAL 78 6.901 -0.993 2.230 624 1HG2 VAL 78 2HG2 VAL 78 6.434 -3.969 0.087 625 2HG2 VAL 78 1HG2 VAL 78 6.180 -3.310 1.702 626 3HG2 VAL 78 3HG2 VAL 78 5.223 -2.715 0.346 627 H LYS 79 H LYS 79 8.672 0.032 -2.389 628 HA LYS 79 HA LYS 79 11.047 -1.698 -2.613 629 1HB LYS 79 HB2 LYS 79 9.813 0.282 -4.483 630 2HB LYS 79 HB3 LYS 79 11.546 -0.002 -4.558 631 1HG LYS 79 HG2 LYS 79 11.098 -2.408 -4.884 632 2HG LYS 79 HG3 LYS 79 9.362 -2.050 -4.930 633 1HD LYS 79 HD2 LYS 79 11.421 -0.878 -6.805 634 2HD LYS 79 HD3 LYS 79 10.386 -2.258 -7.181 635 1HE LYS 79 HE2 LYS 79 8.405 -0.852 -6.869 636 2HE LYS 79 HE3 LYS 79 9.443 0.526 -6.504 637 1HZ LYS 79 HZ3 LYS 79 9.377 -0.953 -9.080 638 2HZ LYS 79 HZ2 LYS 79 8.692 0.568 -8.797 639 3HZ LYS 79 HZ1 LYS 79 10.371 0.371 -8.729 640 HA PRO 80 HA PRO 80 12.455 1.512 0.360 641 1HB PRO 80 HB2 PRO 80 14.921 0.169 0.569 642 2HB PRO 80 HB3 PRO 80 13.564 0.072 1.692 643 1HG PRO 80 HG2 PRO 80 14.364 -1.788 -0.479 644 2HG PRO 80 HG3 PRO 80 13.561 -2.134 1.064 645 1HD PRO 80 HD2 PRO 80 12.229 -2.170 -1.272 646 2HD PRO 80 HD3 PRO 80 11.467 -1.617 0.235 647 H ARG 81 H ARG 81 12.818 3.277 -0.852 648 HA ARG 81 HA ARG 81 14.573 3.377 -3.080 649 1HB ARG 81 HB2 ARG 81 12.826 5.211 -1.650 650 2HB ARG 81 HB3 ARG 81 14.311 5.987 -2.174 651 1HG ARG 81 HG2 ARG 81 13.883 5.444 -4.450 652 2HG ARG 81 HG3 ARG 81 12.525 4.406 -4.004 653 1HD ARG 81 HD2 ARG 81 11.261 6.288 -3.230 654 2HD ARG 81 HD3 ARG 81 12.641 7.366 -3.451 655 HE ARG 81 HE ARG 81 11.941 6.101 -5.892 656 1HH1 ARG 81 1HH1 ARG 81 10.953 8.631 -3.711 657 2HH1 ARG 81 2HH1 ARG 81 10.177 9.568 -4.945 658 1HH2 ARG 81 1HH2 ARG 81 10.921 7.326 -7.522 659 2HH2 ARG 81 2HH2 ARG 81 10.158 8.826 -7.110 660 H LYS 82 H LYS 82 14.907 4.105 0.335 661 HA LYS 82 HA LYS 82 17.760 4.701 -0.104 662 1HB LYS 82 HB2 LYS 82 16.088 5.625 2.234 663 2HB LYS 82 HB3 LYS 82 17.717 6.137 1.821 664 1HG LYS 82 HG2 LYS 82 16.845 7.185 -0.227 665 2HG LYS 82 HG3 LYS 82 15.213 6.715 0.252 666 1HD LYS 82 HD2 LYS 82 15.446 8.044 2.304 667 2HD LYS 82 HD3 LYS 82 17.059 8.540 1.787 668 1HE LYS 82 HE2 LYS 82 14.483 9.099 0.319 669 2HE LYS 82 HE3 LYS 82 15.385 10.258 1.295 670 1HZ LYS 82 HZ1 LYS 82 17.248 10.035 -0.229 671 2HZ LYS 82 HZ3 LYS 82 16.379 8.926 -1.166 672 3HZ LYS 82 HZ2 LYS 82 15.857 10.531 -1.054 673 H ARG 83 H ARG 83 18.878 4.428 2.244 674 HA ARG 83 HA ARG 83 18.148 1.733 3.190 675 1HB ARG 83 HB2 ARG 83 20.942 2.864 3.109 676 2HB ARG 83 HB3 ARG 83 20.469 1.207 3.453 677 1HG ARG 83 HG2 ARG 83 19.872 0.803 1.208 678 2HG ARG 83 HG3 ARG 83 19.936 2.521 0.806 679 1HD ARG 83 HD2 ARG 83 22.351 2.519 1.218 680 2HD ARG 83 HD3 ARG 83 22.282 0.798 1.597 681 HE ARG 83 HE ARG 83 21.186 1.127 -0.934 682 1HH1 ARG 83 1HH1 ARG 83 24.260 1.585 0.643 683 2HH1 ARG 83 2HH1 ARG 83 25.185 1.288 -0.790 684 1HH2 ARG 83 1HH2 ARG 83 22.396 0.734 -2.826 685 2HH2 ARG 83 2HH2 ARG 83 24.126 0.805 -2.763 686 H GLY 84 H GLY 84 18.202 1.351 5.380 687 1HA GLY 84 HA3 GLY 84 18.374 3.761 7.051 688 2HA GLY 84 HA2 GLY 84 19.340 2.361 7.494 689 H HIS 85 H HIS 85 16.348 3.893 7.800 690 HA HIS 85 HA HIS 85 15.127 1.443 8.886 691 1HB HIS 85 HB2 HIS 85 15.007 4.210 10.102 692 2HB HIS 85 HB3 HIS 85 14.170 2.785 10.710 693 HD1 HIS 85 HD1 HIS 85 17.431 4.510 10.755 694 HD2 HIS 85 HD2 HIS 85 15.890 0.820 11.880 695 HE1 HIS 85 HE1 HIS 85 19.171 3.483 12.252 696 HE2 HIS 85 HE2 HIS 85 18.176 1.291 12.993 697 H HIS 86 H HIS 86 13.762 1.081 7.191 698 HA HIS 86 HA HIS 86 11.823 3.201 6.548 699 1HB HIS 86 HB2 HIS 86 12.615 0.762 4.939 700 2HB HIS 86 HB3 HIS 86 11.402 1.943 4.463 701 HD1 HIS 86 HD1 HIS 86 14.331 3.485 6.013 702 HD2 HIS 86 HD2 HIS 86 13.161 2.338 2.196 703 HE1 HIS 86 HE1 HIS 86 15.892 4.679 4.446 704 HE2 HIS 86 HE2 HIS 86 15.096 4.053 2.139 705 H THR 87 H THR 87 9.574 2.412 6.080 706 HA THR 87 HA THR 87 8.812 -0.133 7.198 707 HB THR 87 HB THR 87 8.000 2.397 8.635 708 HG1 THR 87 HG1 THR 87 9.571 0.161 9.454 709 1HG2 THR 87 2HG2 THR 87 7.191 -0.478 9.076 710 2HG2 THR 87 1HG2 THR 87 6.821 0.859 10.168 711 3HG2 THR 87 3HG2 THR 87 6.146 0.842 8.537 712 H LEU 88 H LEU 88 6.672 -0.714 6.792 713 HA LEU 88 HA LEU 88 5.167 1.113 5.042 714 1HB LEU 88 HB2 LEU 88 5.978 -0.716 3.714 715 2HB LEU 88 HB3 LEU 88 5.439 -1.887 4.899 716 HG LEU 88 HG LEU 88 3.069 -1.073 4.409 717 1HD1 LEU 88 1HD1 LEU 88 3.679 1.018 3.323 718 2HD1 LEU 88 3HD1 LEU 88 4.469 0.121 2.026 719 3HD1 LEU 88 2HD1 LEU 88 2.724 -0.003 2.249 720 1HD2 LEU 88 3HD2 LEU 88 4.243 -3.176 3.530 721 2HD2 LEU 88 2HD2 LEU 88 2.786 -2.624 2.701 722 3HD2 LEU 88 1HD2 LEU 88 4.373 -2.293 2.011 723 H GLU 89 H GLU 89 4.133 1.881 6.969 724 HA GLU 89 HA GLU 89 2.596 0.067 8.578 725 1HB GLU 89 HB2 GLU 89 1.615 2.586 9.119 726 2HB GLU 89 HB3 GLU 89 2.924 1.783 9.976 727 1HG GLU 89 HG2 GLU 89 4.567 2.894 8.702 728 2HG GLU 89 HG3 GLU 89 3.373 3.470 7.544 729 H LEU 90 H LEU 90 0.932 -0.914 7.681 730 HA LEU 90 HA LEU 90 -0.866 0.616 5.939 731 1HB LEU 90 HB2 LEU 90 -0.575 -2.362 6.346 732 2HB LEU 90 HB3 LEU 90 -1.803 -1.624 5.338 733 HG LEU 90 HG LEU 90 1.182 -1.512 4.889 734 1HD1 LEU 90 3HD1 LEU 90 0.183 -3.665 4.341 735 2HD1 LEU 90 2HD1 LEU 90 -1.028 -2.860 3.345 736 3HD1 LEU 90 1HD1 LEU 90 0.672 -2.806 2.881 737 1HD2 LEU 90 1HD2 LEU 90 -1.062 -0.293 3.283 738 2HD2 LEU 90 3HD2 LEU 90 0.151 0.584 4.216 739 3HD2 LEU 90 2HD2 LEU 90 0.636 -0.352 2.803 740 H VAL 91 H VAL 91 -3.163 0.446 6.253 741 HA VAL 91 HA VAL 91 -4.054 -0.531 8.850 742 HB VAL 91 HB VAL 91 -3.359 1.763 9.310 743 1HG1 VAL 91 1HG1 VAL 91 -5.241 2.487 7.068 744 2HG1 VAL 91 3HG1 VAL 91 -4.592 3.650 8.226 745 3HG1 VAL 91 2HG1 VAL 91 -3.499 2.774 7.152 746 1HG2 VAL 91 2HG2 VAL 91 -6.352 1.409 9.262 747 2HG2 VAL 91 1HG2 VAL 91 -5.249 0.932 10.553 748 3HG2 VAL 91 3HG2 VAL 91 -5.495 2.640 10.189 749 H TYR 92 H TYR 92 -6.323 -0.768 9.026 750 HA TYR 92 HA TYR 92 -7.731 -0.887 6.449 751 1HB TYR 92 HB2 TYR 92 -7.448 -2.944 7.965 752 2HB TYR 92 HB3 TYR 92 -8.614 -2.171 9.031 753 HD1 TYR 92 HD1 TYR 92 -10.611 -3.318 8.904 754 HD2 TYR 92 HD2 TYR 92 -8.475 -2.524 5.311 755 HE1 TYR 92 HE1 TYR 92 -12.447 -4.306 7.601 756 HE2 TYR 92 HE2 TYR 92 -10.307 -3.507 3.998 757 HH TYR 92 HH TYR 92 -13.354 -4.190 5.315 758 H THR 93 H THR 93 -8.471 1.236 6.268 759 HA THR 93 HA THR 93 -10.409 2.097 8.323 760 HB THR 93 HB THR 93 -8.374 3.375 8.607 761 HG1 THR 93 HG1 THR 93 -10.582 4.389 8.631 762 1HG2 THR 93 1HG2 THR 93 -8.655 3.702 5.651 763 2HG2 THR 93 3HG2 THR 93 -7.897 4.989 6.591 764 3HG2 THR 93 2HG2 THR 93 -7.216 3.361 6.616 765 H ARG 94 H ARG 94 -11.952 3.726 7.595 766 HA ARG 94 HA ARG 94 -12.798 3.240 4.839 767 1HB ARG 94 HB2 ARG 94 -14.254 4.675 7.067 768 2HB ARG 94 HB3 ARG 94 -14.932 4.199 5.516 769 1HG ARG 94 HG2 ARG 94 -14.623 1.848 6.099 770 2HG ARG 94 HG3 ARG 94 -13.947 2.329 7.658 771 1HD ARG 94 HD2 ARG 94 -16.297 1.697 7.865 772 2HD ARG 94 HD3 ARG 94 -16.049 3.398 8.258 773 HE ARG 94 HE ARG 94 -16.744 3.103 5.531 774 1HH1 ARG 94 1HH1 ARG 94 -18.105 2.975 8.736 775 2HH1 ARG 94 2HH1 ARG 94 -19.696 3.422 8.218 776 1HH2 ARG 94 1HH2 ARG 94 -18.835 3.693 4.840 777 2HH2 ARG 94 2HH2 ARG 94 -20.112 3.829 6.004 778 HA PRO 95 HA PRO 95 -10.530 7.158 3.981 779 1HB PRO 95 HB2 PRO 95 -11.537 6.980 1.326 780 2HB PRO 95 HB3 PRO 95 -9.913 6.589 1.885 781 1HG PRO 95 HG2 PRO 95 -12.217 4.797 1.368 782 2HG PRO 95 HG3 PRO 95 -10.480 4.461 1.250 783 1HD PRO 95 HD2 PRO 95 -11.948 3.489 3.262 784 2HD PRO 95 HD3 PRO 95 -10.280 4.037 3.519 785 H PHE 96 H PHE 96 -13.848 6.292 3.131 786 HA PHE 96 HA PHE 96 -14.694 8.926 2.532 787 1HB PHE 96 HB2 PHE 96 -16.253 6.439 3.241 788 2HB PHE 96 HB3 PHE 96 -16.939 7.912 2.586 789 HD1 PHE 96 HD1 PHE 96 -14.625 5.138 1.850 790 HD2 PHE 96 HD2 PHE 96 -16.936 8.344 0.274 791 HE1 PHE 96 HE1 PHE 96 -14.195 4.320 -0.429 792 HE2 PHE 96 HE2 PHE 96 -16.512 7.530 -2.010 793 HZ PHE 96 HZ PHE 96 -15.140 5.515 -2.364 794 H GLU 97 H GLU 97 -14.748 6.937 5.448 795 HA GLU 97 HA GLU 97 -16.100 9.104 6.898 796 1HB GLU 97 HB2 GLU 97 -15.567 6.240 7.691 797 2HB GLU 97 HB3 GLU 97 -16.396 7.421 8.696 798 1HG GLU 97 HG2 GLU 97 -17.325 6.428 6.009 799 2HG GLU 97 HG3 GLU 97 -17.963 5.933 7.576 800 H GLY 98 H GLY 98 -13.052 8.438 6.144 801 1HA GLY 98 HA3 GLY 98 -12.033 9.732 8.538 802 2HA GLY 98 HA2 GLY 98 -11.124 9.399 7.069 803 H ILE 99 H ILE 99 -9.913 8.944 9.443 804 HA ILE 99 HA ILE 99 -9.936 6.010 9.596 805 HB ILE 99 HB ILE 99 -7.520 7.651 10.233 806 1HG1 ILE 99 2HG1 ILE 99 -8.230 6.563 7.502 807 2HG1 ILE 99 3HG1 ILE 99 -8.355 8.261 7.949 808 1HG2 ILE 99 3HG2 ILE 99 -8.197 4.807 9.774 809 2HG2 ILE 99 2HG2 ILE 99 -6.635 5.357 9.162 810 3HG2 ILE 99 1HG2 ILE 99 -7.024 5.530 10.874 811 1HD1 ILE 99 2HD1 ILE 99 -5.820 6.635 7.929 812 2HD1 ILE 99 1HD1 ILE 99 -6.314 7.799 6.699 813 3HD1 ILE 99 3HD1 ILE 99 -5.956 8.345 8.338 814 H LYS 100 H LYS 100 -9.376 5.024 11.558 815 HA LYS 100 HA LYS 100 -9.584 6.675 13.974 816 1HB LYS 100 HB2 LYS 100 -10.939 4.404 14.685 817 2HB LYS 100 HB3 LYS 100 -11.691 5.925 14.246 818 1HG LYS 100 HG2 LYS 100 -11.023 3.977 12.098 819 2HG LYS 100 HG3 LYS 100 -12.428 3.678 13.122 820 1HD LYS 100 HD2 LYS 100 -11.957 6.260 11.642 821 2HD LYS 100 HD3 LYS 100 -12.902 4.920 10.992 822 1HE LYS 100 HE2 LYS 100 -13.476 6.464 13.518 823 2HE LYS 100 HE3 LYS 100 -14.363 6.575 11.997 824 1HZ LYS 100 HZ1 LYS 100 -15.016 4.262 12.250 825 2HZ LYS 100 HZ3 LYS 100 -14.167 4.156 13.711 826 3HZ LYS 100 HZ2 LYS 100 -15.514 5.171 13.586 827 HA PRO 101 HA PRO 101 -6.425 4.013 15.536 828 1HB PRO 101 HB2 PRO 101 -6.958 3.907 18.170 829 2HB PRO 101 HB3 PRO 101 -6.435 5.397 17.382 830 1HG PRO 101 HG2 PRO 101 -9.193 4.544 18.161 831 2HG PRO 101 HG3 PRO 101 -8.419 6.127 18.349 832 1HD PRO 101 HD2 PRO 101 -10.148 5.525 16.330 833 2HD PRO 101 HD3 PRO 101 -8.861 6.735 16.187 834 H GLU 102 H GLU 102 -9.721 3.153 15.914 835 HA GLU 102 HA GLU 102 -9.271 0.543 17.030 836 1HB GLU 102 HB2 GLU 102 -11.672 0.197 16.617 837 2HB GLU 102 HB3 GLU 102 -11.349 1.692 17.488 838 1HG GLU 102 HG2 GLU 102 -11.590 2.958 15.449 839 2HG GLU 102 HG3 GLU 102 -11.844 1.474 14.538 840 H ASN 103 H ASN 103 -8.793 1.809 13.999 841 HA ASN 103 HA ASN 103 -9.748 -0.299 12.352 842 1HB ASN 103 HB2 ASN 103 -7.663 1.836 11.904 843 2HB ASN 103 HB3 ASN 103 -8.166 0.704 10.655 844 1HD2 ASN 103 1HD2 ASN 103 -10.947 0.703 11.626 845 2HD2 ASN 103 2HD2 ASN 103 -11.621 2.200 11.095 846 H GLU 104 H GLU 104 -8.579 -1.942 11.281 847 HA GLU 104 HA GLU 104 -6.763 -3.370 12.841 848 1HB GLU 104 HB2 GLU 104 -8.015 -3.606 10.226 849 2HB GLU 104 HB3 GLU 104 -6.392 -4.268 10.257 850 1HG GLU 104 HG2 GLU 104 -7.814 -6.048 10.792 851 2HG GLU 104 HG3 GLU 104 -7.094 -5.543 12.316 852 H ARG 105 H ARG 105 -4.559 -4.059 12.052 853 HA ARG 105 HA ARG 105 -3.117 -1.803 10.829 854 1HB ARG 105 HB2 ARG 105 -2.884 -1.821 13.320 855 2HB ARG 105 HB3 ARG 105 -2.151 -3.408 13.199 856 1HG ARG 105 HG2 ARG 105 -0.270 -2.116 13.322 857 2HG ARG 105 HG3 ARG 105 -0.508 -2.164 11.570 858 1HD ARG 105 HD2 ARG 105 -0.068 0.107 12.293 859 2HD ARG 105 HD3 ARG 105 -1.712 -0.040 11.665 860 HE ARG 105 HE ARG 105 -1.830 -0.455 14.407 861 1HH1 ARG 105 1HH1 ARG 105 -1.020 2.115 12.196 862 2HH1 ARG 105 2HH1 ARG 105 -1.502 3.376 13.282 863 1HH2 ARG 105 1HH2 ARG 105 -2.465 1.201 15.844 864 2HH2 ARG 105 2HH2 ARG 105 -2.322 2.857 15.356 865 H TYR 106 H TYR 106 -0.994 -2.373 10.015 866 HA TYR 106 HA TYR 106 -0.034 -5.005 9.794 867 1HB TYR 106 HB2 TYR 106 -1.996 -5.175 8.245 868 2HB TYR 106 HB3 TYR 106 -1.252 -3.930 7.239 869 HD1 TYR 106 HD1 TYR 106 -1.160 -7.425 8.271 870 HD2 TYR 106 HD2 TYR 106 0.791 -4.434 5.961 871 HE1 TYR 106 HE1 TYR 106 0.108 -9.171 7.090 872 HE2 TYR 106 HE2 TYR 106 2.063 -6.168 4.776 873 HH TYR 106 HH TYR 106 2.798 -8.494 5.148 874 H THR 107 H THR 107 1.487 -3.411 10.687 875 HA THR 107 HA THR 107 2.761 -1.627 8.784 876 HB THR 107 HB THR 107 3.521 -2.150 11.659 877 HG1 THR 107 HG1 THR 107 2.030 -0.700 12.230 878 1HG2 THR 107 1HG2 THR 107 5.221 -1.029 10.264 879 2HG2 THR 107 3HG2 THR 107 4.044 0.223 9.874 880 3HG2 THR 107 2HG2 THR 107 4.592 0.018 11.536 881 H LEU 108 H LEU 108 4.018 -2.679 7.358 882 HA LEU 108 HA LEU 108 5.696 -4.889 8.182 883 1HB LEU 108 HB2 LEU 108 4.634 -5.096 6.051 884 2HB LEU 108 HB3 LEU 108 5.232 -3.537 5.532 885 HG LEU 108 HG LEU 108 7.511 -4.401 5.449 886 1HD1 LEU 108 2HD1 LEU 108 6.291 -7.012 6.331 887 2HD1 LEU 108 1HD1 LEU 108 7.955 -6.785 5.794 888 3HD1 LEU 108 3HD1 LEU 108 7.391 -6.002 7.270 889 1HD2 LEU 108 1HD2 LEU 108 6.031 -4.624 3.486 890 2HD2 LEU 108 3HD2 LEU 108 7.275 -5.871 3.564 891 3HD2 LEU 108 2HD2 LEU 108 5.616 -6.252 4.022 892 H HIS 109 H HIS 109 7.196 -3.947 9.578 893 HA HIS 109 HA HIS 109 8.764 -1.684 8.800 894 1HB HIS 109 HB2 HIS 109 8.776 -3.580 11.086 895 2HB HIS 109 HB3 HIS 109 10.214 -2.618 10.786 896 HD1 HIS 109 HD1 HIS 109 10.164 -0.214 11.531 897 HD2 HIS 109 HD2 HIS 109 6.438 -2.042 11.705 898 HE1 HIS 109 HE1 HIS 109 8.672 1.418 12.729 899 HE2 HIS 109 HE2 HIS 109 6.400 0.327 12.746 900 H LEU 110 H LEU 110 10.903 -1.629 8.181 901 HA LEU 110 HA LEU 110 12.244 -4.104 7.459 902 1HB LEU 110 HB2 LEU 110 11.601 -1.948 5.445 903 2HB LEU 110 HB3 LEU 110 12.658 -3.314 5.148 904 HG LEU 110 HG LEU 110 9.712 -3.536 5.795 905 1HD1 LEU 110 3HD1 LEU 110 11.146 -3.713 3.147 906 2HD1 LEU 110 2HD1 LEU 110 9.445 -4.095 3.419 907 3HD1 LEU 110 1HD1 LEU 110 10.026 -2.446 3.650 908 1HD2 LEU 110 3HD2 LEU 110 11.160 -5.476 6.406 909 2HD2 LEU 110 2HD2 LEU 110 9.919 -5.836 5.206 910 3HD2 LEU 110 1HD2 LEU 110 11.595 -5.616 4.703 911 H ASN 111 H ASN 111 14.070 -3.759 8.616 912 HA ASN 111 HA ASN 111 15.302 -1.159 8.761 913 1HB ASN 111 HB2 ASN 111 15.407 -2.707 10.677 914 2HB ASN 111 HB3 ASN 111 16.308 -3.859 9.699 915 1HD2 ASN 111 1HD2 ASN 111 18.073 -3.834 11.063 916 2HD2 ASN 111 2HD2 ASN 111 19.147 -2.485 11.167 917 H VAL 112 H VAL 112 15.369 -1.056 6.379 918 HA VAL 112 HA VAL 112 16.785 -2.639 4.660 919 HB VAL 112 HB VAL 112 17.082 0.325 4.381 920 1HG1 VAL 112 1HG1 VAL 112 17.930 -1.206 2.654 921 2HG1 VAL 112 3HG1 VAL 112 16.300 -1.848 2.447 922 3HG1 VAL 112 2HG1 VAL 112 16.642 -0.163 2.049 923 1HG2 VAL 112 3HG2 VAL 112 14.488 -1.195 4.251 924 2HG2 VAL 112 2HG2 VAL 112 14.862 0.246 5.196 925 3HG2 VAL 112 1HG2 VAL 112 14.737 0.352 3.442 926 H LYS 113 H LYS 113 18.806 -3.358 4.709 927 HA LYS 113 HA LYS 113 20.821 -2.132 6.333 928 1HB LYS 113 HB2 LYS 113 21.031 -4.393 4.339 929 2HB LYS 113 HB3 LYS 113 22.268 -3.940 5.501 930 1HG LYS 113 HG2 LYS 113 19.503 -4.903 6.207 931 2HG LYS 113 HG3 LYS 113 20.959 -5.899 6.204 932 1HD LYS 113 HD2 LYS 113 20.572 -3.426 7.890 933 2HD LYS 113 HD3 LYS 113 20.325 -5.078 8.459 934 1HE LYS 113 HE2 LYS 113 22.912 -3.935 7.410 935 2HE LYS 113 HE3 LYS 113 22.526 -4.234 9.104 936 1HZ LYS 113 HZ1 LYS 113 22.340 -6.591 8.609 937 2HZ LYS 113 HZ3 LYS 113 22.710 -6.304 6.983 938 3HZ LYS 113 HZ2 LYS 113 23.870 -6.010 8.178 No H/Q in entry = 938 Start of MODEL 9 1 H1 GLY -2 HT3 GLY -2 -6.898 -4.190 19.274 2 H2 GLY -2 HT2 GLY -2 -6.823 -5.375 20.480 3 H3 GLY -2 HT1 GLY -2 -7.077 -5.824 18.868 4 1HA GLY -2 HA2 GLY -2 -9.140 -5.952 20.104 5 2HA GLY -2 HA3 GLY -2 -9.218 -4.722 18.851 6 H SER -1 H SER -1 -10.544 -3.207 19.637 7 HA SER -1 HA SER -1 -9.705 -1.765 22.015 8 1HB SER -1 HB2 SER -1 -11.412 -0.112 21.335 9 2HB SER -1 HB3 SER -1 -10.296 -0.477 20.020 10 HG SER -1 HG SER -1 -12.439 -0.489 19.282 11 H HIS 0 H HIS 0 -12.692 -3.285 20.809 12 HA HIS 0 HA HIS 0 -13.672 -3.389 23.580 13 1HB HIS 0 HB2 HIS 0 -15.911 -3.820 22.490 14 2HB HIS 0 HB3 HIS 0 -15.224 -2.226 22.194 15 HD1 HIS 0 HD1 HIS 0 -14.460 -1.691 19.784 16 HD2 HIS 0 HD2 HIS 0 -16.139 -5.464 20.238 17 HE1 HIS 0 HE1 HIS 0 -14.898 -2.516 17.449 18 HE2 HIS 0 HE2 HIS 0 -15.837 -4.836 17.747 19 H MET 1 H MET 1 -13.137 -5.322 20.680 20 HA MET 1 HA MET 1 -13.124 -7.723 22.349 21 1HB MET 1 HB2 MET 1 -14.718 -7.436 19.797 22 2HB MET 1 HB3 MET 1 -14.409 -8.966 20.608 23 1HG MET 1 HG2 MET 1 -15.572 -8.092 22.606 24 2HG MET 1 HG3 MET 1 -15.959 -6.630 21.700 25 1HE MET 1 HE1 MET 1 -16.497 -7.847 18.790 26 2HE MET 1 HE3 MET 1 -18.246 -8.065 18.842 27 3HE MET 1 HE2 MET 1 -17.518 -6.611 19.526 28 H ILE 2 H ILE 2 -12.357 -9.658 20.939 29 HA ILE 2 HA ILE 2 -9.847 -8.855 19.765 30 HB ILE 2 HB ILE 2 -9.430 -11.286 19.531 31 1HG1 ILE 2 2HG1 ILE 2 -12.127 -11.588 20.875 32 2HG1 ILE 2 3HG1 ILE 2 -11.807 -11.943 19.181 33 1HG2 ILE 2 3HG2 ILE 2 -8.794 -10.109 21.566 34 2HG2 ILE 2 2HG2 ILE 2 -10.390 -10.411 22.253 35 3HG2 ILE 2 1HG2 ILE 2 -9.300 -11.759 21.930 36 1HD1 ILE 2 2HD1 ILE 2 -10.235 -13.687 19.845 37 2HD1 ILE 2 1HD1 ILE 2 -10.569 -13.336 21.541 38 3HD1 ILE 2 3HD1 ILE 2 -11.846 -13.969 20.504 39 H ALA 3 H ALA 3 -12.931 -10.100 18.666 40 HA ALA 3 HA ALA 3 -13.820 -10.440 16.600 41 1HB ALA 3 HB3 ALA 3 -11.733 -8.431 15.762 42 2HB ALA 3 HB1 ALA 3 -13.337 -8.051 16.389 43 3HB ALA 3 HB2 ALA 3 -13.169 -8.884 14.844 44 HA PRO 4 HA PRO 4 -10.611 -13.474 15.328 45 1HB PRO 4 HB2 PRO 4 -12.267 -15.587 15.115 46 2HB PRO 4 HB3 PRO 4 -11.622 -15.054 16.672 47 1HG PRO 4 HG2 PRO 4 -14.308 -14.535 15.455 48 2HG PRO 4 HG3 PRO 4 -13.904 -14.977 17.124 49 1HD PRO 4 HD2 PRO 4 -14.439 -12.420 16.341 50 2HD PRO 4 HD3 PRO 4 -13.363 -12.819 17.696 51 H LEU 5 H LEU 5 -13.023 -11.846 13.828 52 HA LEU 5 HA LEU 5 -13.440 -13.384 11.476 53 1HB LEU 5 HB2 LEU 5 -14.989 -11.629 12.189 54 2HB LEU 5 HB3 LEU 5 -13.745 -10.418 11.947 55 HG LEU 5 HG LEU 5 -13.748 -10.908 9.530 56 1HD1 LEU 5 3HD1 LEU 5 -16.018 -12.770 10.215 57 2HD1 LEU 5 2HD1 LEU 5 -15.532 -12.303 8.585 58 3HD1 LEU 5 1HD1 LEU 5 -14.432 -13.235 9.601 59 1HD2 LEU 5 3HD2 LEU 5 -15.159 -9.125 10.401 60 2HD2 LEU 5 2HD2 LEU 5 -15.928 -9.923 9.029 61 3HD2 LEU 5 1HD2 LEU 5 -16.466 -10.277 10.670 62 H SER 6 H SER 6 -12.040 -13.788 9.914 63 HA SER 6 HA SER 6 -10.270 -13.652 8.497 64 1HB SER 6 HB2 SER 6 -10.645 -10.675 8.907 65 2HB SER 6 HB3 SER 6 -9.682 -11.414 7.628 66 HG SER 6 HG SER 6 -12.361 -12.179 7.929 67 H VAL 7 H VAL 7 -8.020 -12.279 8.275 68 HA VAL 7 HA VAL 7 -6.660 -12.836 10.794 69 HB VAL 7 HB VAL 7 -5.430 -12.080 8.141 70 1HG1 VAL 7 3HG1 VAL 7 -4.268 -13.392 10.595 71 2HG1 VAL 7 2HG1 VAL 7 -3.414 -13.123 9.076 72 3HG1 VAL 7 1HG1 VAL 7 -3.954 -11.748 10.041 73 1HG2 VAL 7 3HG2 VAL 7 -5.968 -14.822 9.277 74 2HG2 VAL 7 2HG2 VAL 7 -6.754 -14.100 7.873 75 3HG2 VAL 7 1HG2 VAL 7 -5.033 -14.481 7.821 76 H LYS 8 H LYS 8 -5.308 -11.349 11.845 77 HA LYS 8 HA LYS 8 -5.761 -8.536 11.108 78 1HB LYS 8 HB2 LYS 8 -5.686 -7.965 13.473 79 2HB LYS 8 HB3 LYS 8 -6.959 -9.129 13.151 80 1HG LYS 8 HG2 LYS 8 -4.265 -10.012 14.109 81 2HG LYS 8 HG3 LYS 8 -5.503 -9.450 15.235 82 1HD LYS 8 HD2 LYS 8 -7.045 -11.160 14.370 83 2HD LYS 8 HD3 LYS 8 -5.776 -11.738 13.288 84 1HE LYS 8 HE2 LYS 8 -5.926 -13.129 15.283 85 2HE LYS 8 HE3 LYS 8 -4.377 -12.291 15.207 86 1HZ LYS 8 HZ3 LYS 8 -5.225 -10.660 16.776 87 2HZ LYS 8 HZ2 LYS 8 -6.706 -11.471 16.855 88 3HZ LYS 8 HZ1 LYS 8 -5.303 -12.218 17.430 89 H ASP 9 H ASP 9 -3.543 -10.934 11.424 90 HA ASP 9 HA ASP 9 -1.271 -9.999 12.567 91 1HB ASP 9 HB2 ASP 9 -1.459 -12.164 11.354 92 2HB ASP 9 HB3 ASP 9 -1.359 -11.286 9.831 93 H ASN 10 H ASN 10 -0.237 -8.123 12.458 94 HA ASN 10 HA ASN 10 -0.223 -6.678 9.910 95 1HB ASN 10 HB2 ASN 10 -0.053 -4.608 11.437 96 2HB ASN 10 HB3 ASN 10 -1.615 -5.377 11.235 97 1HD2 ASN 10 1HD2 ASN 10 -0.777 -3.657 13.330 98 2HD2 ASN 10 2HD2 ASN 10 -0.870 -4.559 14.795 99 H ASP 11 H ASP 11 1.402 -6.216 12.992 100 HA ASP 11 HA ASP 11 3.715 -5.134 12.162 101 1HB ASP 11 HB2 ASP 11 4.723 -5.964 14.223 102 2HB ASP 11 HB3 ASP 11 3.093 -5.368 14.497 103 H LYS 12 H LYS 12 4.800 -5.767 10.477 104 HA LYS 12 HA LYS 12 5.901 -8.505 10.425 105 1HB LYS 12 HB2 LYS 12 4.512 -6.997 8.367 106 2HB LYS 12 HB3 LYS 12 6.122 -7.465 7.837 107 1HG LYS 12 HG2 LYS 12 4.603 -9.582 9.156 108 2HG LYS 12 HG3 LYS 12 3.922 -9.021 7.628 109 1HD LYS 12 HD2 LYS 12 5.415 -10.856 7.184 110 2HD LYS 12 HD3 LYS 12 6.147 -9.369 6.577 111 1HE LYS 12 HE2 LYS 12 7.794 -10.755 7.722 112 2HE LYS 12 HE3 LYS 12 7.543 -9.231 8.574 113 1HZ LYS 12 HZ3 LYS 12 6.099 -10.381 10.132 114 2HZ LYS 12 HZ2 LYS 12 6.339 -11.842 9.316 115 3HZ LYS 12 HZ1 LYS 12 7.633 -11.093 10.105 116 H TRP 13 H TRP 13 7.219 -7.008 11.937 117 HA TRP 13 HA TRP 13 9.075 -5.223 10.706 118 1HB TRP 13 HB2 TRP 13 9.170 -6.348 13.506 119 2HB TRP 13 HB3 TRP 13 9.810 -4.815 12.930 120 HD1 TRP 13 HD1 TRP 13 6.656 -4.774 11.311 121 HE1 TRP 13 HE1 TRP 13 4.817 -3.617 12.676 122 HE3 TRP 13 HE3 TRP 13 8.914 -4.782 15.910 123 HZ2 TRP 13 HZ2 TRP 13 4.356 -2.812 15.324 124 HZ3 TRP 13 HZ3 TRP 13 7.696 -3.793 17.808 125 HH2 TRP 13 HH2 TRP 13 5.470 -2.828 17.522 126 H VAL 14 H VAL 14 10.930 -5.706 9.769 127 HA VAL 14 HA VAL 14 12.763 -7.625 10.758 128 HB VAL 14 HB VAL 14 11.224 -9.279 9.965 129 1HG1 VAL 14 2HG1 VAL 14 11.370 -7.883 7.302 130 2HG1 VAL 14 1HG1 VAL 14 10.575 -9.431 7.592 131 3HG1 VAL 14 3HG1 VAL 14 9.967 -7.970 8.369 132 1HG2 VAL 14 1HG2 VAL 14 13.620 -9.724 9.664 133 2HG2 VAL 14 3HG2 VAL 14 12.621 -10.550 8.468 134 3HG2 VAL 14 2HG2 VAL 14 13.508 -9.093 8.021 135 H ASP 15 H ASP 15 14.586 -7.959 9.400 136 HA ASP 15 HA ASP 15 15.543 -5.583 8.242 137 1HB ASP 15 HB2 ASP 15 16.491 -8.379 8.525 138 2HB ASP 15 HB3 ASP 15 17.296 -7.384 7.311 139 H THR 16 H THR 16 16.668 -5.739 5.952 140 HA THR 16 HA THR 16 15.416 -7.237 3.913 141 HB THR 16 HB THR 16 13.552 -5.631 4.619 142 HG1 THR 16 HG1 THR 16 12.976 -6.308 2.698 143 1HG2 THR 16 2HG2 THR 16 14.952 -3.623 4.828 144 2HG2 THR 16 1HG2 THR 16 15.275 -3.678 3.095 145 3HG2 THR 16 3HG2 THR 16 13.636 -3.389 3.678 146 H HIS 17 H HIS 17 15.638 -5.750 1.715 147 HA HIS 17 HA HIS 17 18.413 -4.757 1.755 148 1HB HIS 17 HB2 HIS 17 16.949 -6.509 -0.170 149 2HB HIS 17 HB3 HIS 17 18.216 -5.457 -0.788 150 HD1 HIS 17 HD1 HIS 17 17.658 -8.640 0.943 151 HD2 HIS 17 HD2 HIS 17 20.825 -6.020 0.336 152 HE1 HIS 17 HE1 HIS 17 19.728 -9.941 1.530 153 HE2 HIS 17 HE2 HIS 17 21.637 -8.362 1.070 154 H VAL 18 H VAL 18 18.566 -3.647 -0.741 155 HA VAL 18 HA VAL 18 16.887 -1.293 -0.391 156 HB VAL 18 HB VAL 18 19.135 -1.713 -2.362 157 1HG1 VAL 18 3HG1 VAL 18 17.715 0.780 -1.425 158 2HG1 VAL 18 2HG1 VAL 18 19.143 0.753 -2.461 159 3HG1 VAL 18 1HG1 VAL 18 17.626 0.058 -3.032 160 1HG2 VAL 18 2HG2 VAL 18 19.173 -0.412 0.359 161 2HG2 VAL 18 1HG2 VAL 18 19.952 -1.932 -0.082 162 3HG2 VAL 18 3HG2 VAL 18 20.507 -0.416 -0.794 163 H GLY 19 H GLY 19 15.216 -0.778 -1.603 164 1HA GLY 19 HA3 GLY 19 14.891 -1.249 -4.337 165 2HA GLY 19 HA2 GLY 19 13.602 -0.861 -3.215 166 H LYS 20 H LYS 20 14.568 -3.475 -1.763 167 HA LYS 20 HA LYS 20 13.931 -5.604 -3.485 168 1HB LYS 20 HB2 LYS 20 14.906 -5.459 -0.971 169 2HB LYS 20 HB3 LYS 20 13.248 -5.899 -0.619 170 1HG LYS 20 HG2 LYS 20 14.333 -7.936 -0.750 171 2HG LYS 20 HG3 LYS 20 13.585 -7.765 -2.342 172 1HD LYS 20 HD2 LYS 20 15.623 -7.143 -3.343 173 2HD LYS 20 HD3 LYS 20 16.373 -6.853 -1.779 174 1HE LYS 20 HE2 LYS 20 17.181 -8.935 -2.779 175 2HE LYS 20 HE3 LYS 20 16.299 -9.240 -1.283 176 1HZ LYS 20 HZ2 LYS 20 15.203 -9.545 -4.026 177 2HZ LYS 20 HZ1 LYS 20 15.679 -10.809 -3.008 178 3HZ LYS 20 HZ3 LYS 20 14.358 -9.837 -2.591 179 H THR 21 H THR 21 12.120 -4.918 -4.643 180 HA THR 21 HA THR 21 9.752 -3.899 -3.810 181 HB THR 21 HB THR 21 9.852 -6.121 -5.841 182 HG1 THR 21 HG1 THR 21 11.516 -4.636 -6.317 183 1HG2 THR 21 1HG2 THR 21 7.634 -5.253 -5.249 184 2HG2 THR 21 3HG2 THR 21 8.175 -3.618 -5.628 185 3HG2 THR 21 2HG2 THR 21 8.068 -4.830 -6.905 186 H THR 22 H THR 22 8.757 -4.497 -1.994 187 HA THR 22 HA THR 22 8.295 -7.329 -1.450 188 HB THR 22 HB THR 22 7.710 -4.886 0.245 189 HG1 THR 22 HG1 THR 22 9.930 -5.286 0.089 190 1HG2 THR 22 2HG2 THR 22 6.184 -6.745 0.746 191 2HG2 THR 22 1HG2 THR 22 7.568 -7.815 0.974 192 3HG2 THR 22 3HG2 THR 22 7.313 -6.457 2.071 193 H GLU 23 H GLU 23 6.731 -7.933 -2.858 194 HA GLU 23 HA GLU 23 4.318 -6.424 -3.199 195 1HB GLU 23 HB2 GLU 23 5.393 -7.769 -5.002 196 2HB GLU 23 HB3 GLU 23 4.976 -9.223 -4.106 197 1HG GLU 23 HG2 GLU 23 2.643 -8.799 -4.360 198 2HG GLU 23 HG3 GLU 23 2.964 -7.203 -5.042 199 H ILE 24 H ILE 24 2.452 -6.681 -2.165 200 HA ILE 24 HA ILE 24 2.027 -9.103 -0.574 201 HB ILE 24 HB ILE 24 1.529 -6.334 0.484 202 1HG1 ILE 24 2HG1 ILE 24 3.739 -8.273 1.184 203 2HG1 ILE 24 3HG1 ILE 24 3.943 -6.786 0.267 204 1HG2 ILE 24 1HG2 ILE 24 0.025 -8.048 1.352 205 2HG2 ILE 24 3HG2 ILE 24 1.411 -9.033 1.821 206 3HG2 ILE 24 2HG2 ILE 24 1.127 -7.480 2.606 207 1HD1 ILE 24 2HD1 ILE 24 3.026 -6.956 3.124 208 2HD1 ILE 24 1HD1 ILE 24 4.649 -6.531 2.582 209 3HD1 ILE 24 3HD1 ILE 24 3.287 -5.479 2.198 210 H HIS 25 H HIS 25 0.341 -9.899 -1.692 211 HA HIS 25 HA HIS 25 -1.843 -8.222 -2.549 212 1HB HIS 25 HB2 HIS 25 -1.932 -11.222 -2.481 213 2HB HIS 25 HB3 HIS 25 -2.708 -10.121 -3.607 214 HD1 HIS 25 HD1 HIS 25 0.023 -12.394 -3.437 215 HD2 HIS 25 HD2 HIS 25 -0.617 -8.719 -5.268 216 HE1 HIS 25 HE1 HIS 25 1.757 -12.235 -5.250 217 HE2 HIS 25 HE2 HIS 25 1.285 -10.050 -6.409 218 H LEU 26 H LEU 26 -3.011 -7.416 -0.915 219 HA LEU 26 HA LEU 26 -3.665 -9.099 1.382 220 1HB LEU 26 HB2 LEU 26 -4.270 -6.187 0.936 221 2HB LEU 26 HB3 LEU 26 -4.416 -7.060 2.445 222 HG LEU 26 HG LEU 26 -1.751 -6.811 1.088 223 1HD1 LEU 26 2HD1 LEU 26 -2.628 -4.544 1.248 224 2HD1 LEU 26 1HD1 LEU 26 -2.994 -4.797 2.955 225 3HD1 LEU 26 3HD1 LEU 26 -1.319 -4.797 2.403 226 1HD2 LEU 26 2HD2 LEU 26 -2.090 -8.384 2.990 227 2HD2 LEU 26 1HD2 LEU 26 -0.890 -7.127 3.301 228 3HD2 LEU 26 3HD2 LEU 26 -2.504 -6.997 4.001 229 H LYS 27 H LYS 27 -5.767 -9.562 1.987 230 HA LYS 27 HA LYS 27 -7.738 -9.278 -0.158 231 1HB LYS 27 HB2 LYS 27 -8.064 -10.999 2.284 232 2HB LYS 27 HB3 LYS 27 -8.862 -11.149 0.727 233 1HG LYS 27 HG2 LYS 27 -7.351 -12.865 0.625 234 2HG LYS 27 HG3 LYS 27 -6.450 -11.570 -0.165 235 1HD LYS 27 HD2 LYS 27 -5.278 -11.104 1.926 236 2HD LYS 27 HD3 LYS 27 -6.198 -12.374 2.734 237 1HE LYS 27 HE2 LYS 27 -5.230 -14.036 1.225 238 2HE LYS 27 HE3 LYS 27 -4.314 -12.768 0.413 239 1HZ LYS 27 HZ2 LYS 27 -4.031 -13.543 3.266 240 2HZ LYS 27 HZ1 LYS 27 -2.957 -13.948 2.023 241 3HZ LYS 27 HZ3 LYS 27 -3.149 -12.331 2.483 242 H GLY 28 H GLY 28 -10.000 -8.878 0.490 243 1HA GLY 28 HA3 GLY 28 -10.189 -6.481 1.965 244 2HA GLY 28 HA2 GLY 28 -10.739 -7.814 2.965 245 H ASN 29 H ASN 29 -12.182 -5.494 1.811 246 HA ASN 29 HA ASN 29 -13.856 -6.322 -0.298 247 1HB ASN 29 HB2 ASN 29 -14.593 -7.970 1.419 248 2HB ASN 29 HB3 ASN 29 -15.082 -6.630 2.451 249 1HD2 ASN 29 1HD2 ASN 29 -17.216 -7.273 2.474 250 2HD2 ASN 29 2HD2 ASN 29 -18.251 -7.101 1.102 251 HA PRO 30 HA PRO 30 -13.888 -1.795 0.522 252 1HB PRO 30 HB2 PRO 30 -14.882 -1.290 -2.029 253 2HB PRO 30 HB3 PRO 30 -13.178 -1.290 -1.571 254 1HG PRO 30 HG2 PRO 30 -14.793 -3.436 -2.869 255 2HG PRO 30 HG3 PRO 30 -13.110 -2.962 -3.164 256 1HD PRO 30 HD2 PRO 30 -13.707 -5.152 -1.750 257 2HD PRO 30 HD3 PRO 30 -12.330 -4.122 -1.309 258 H THR 31 H THR 31 -16.405 -3.886 -0.779 259 HA THR 31 HA THR 31 -18.544 -2.083 -0.719 260 HB THR 31 HB THR 31 -20.021 -4.002 -0.703 261 HG1 THR 31 HG1 THR 31 -19.425 -5.891 0.094 262 1HG2 THR 31 2HG2 THR 31 -17.528 -4.549 -2.317 263 2HG2 THR 31 1HG2 THR 31 -19.121 -5.244 -2.618 264 3HG2 THR 31 3HG2 THR 31 -18.867 -3.508 -2.798 265 H THR 32 H THR 32 -16.796 -3.490 1.854 266 HA THR 32 HA THR 32 -18.855 -3.520 3.820 267 HB THR 32 HB THR 32 -17.053 -3.697 5.471 268 HG1 THR 32 HG1 THR 32 -14.866 -3.878 4.145 269 1HG2 THR 32 3HG2 THR 32 -16.562 -5.371 3.006 270 2HG2 THR 32 2HG2 THR 32 -15.998 -5.752 4.633 271 3HG2 THR 32 1HG2 THR 32 -17.727 -5.718 4.284 272 H GLY 33 H GLY 33 -16.208 -1.228 3.138 273 1HA GLY 33 HA3 GLY 33 -17.477 0.720 4.918 274 2HA GLY 33 HA2 GLY 33 -17.305 1.152 3.224 275 H TYR 34 H TYR 34 -14.779 -0.820 4.336 276 HA TYR 34 HA TYR 34 -13.107 1.531 4.912 277 1HB TYR 34 HB2 TYR 34 -12.764 -1.357 5.720 278 2HB TYR 34 HB3 TYR 34 -11.545 -0.117 5.983 279 HD1 TYR 34 HD1 TYR 34 -15.021 -1.086 6.840 280 HD2 TYR 34 HD2 TYR 34 -11.640 1.290 7.879 281 HE1 TYR 34 HE1 TYR 34 -16.083 -0.520 8.984 282 HE2 TYR 34 HE2 TYR 34 -12.698 1.856 10.024 283 HH TYR 34 HH TYR 34 -14.954 1.962 10.997 284 H MET 35 H MET 35 -10.659 0.838 4.479 285 HA MET 35 HA MET 35 -10.329 -0.487 1.925 286 1HB MET 35 HB2 MET 35 -10.538 1.627 1.010 287 2HB MET 35 HB3 MET 35 -9.946 2.423 2.463 288 1HG MET 35 HG2 MET 35 -7.680 1.603 1.948 289 2HG MET 35 HG3 MET 35 -8.305 0.915 0.465 290 1HE MET 35 HE1 MET 35 -10.400 3.087 -0.495 291 2HE MET 35 HE3 MET 35 -9.401 4.089 -1.548 292 3HE MET 35 HE2 MET 35 -9.234 2.334 -1.583 293 H TRP 36 H TRP 36 -8.177 -1.123 1.560 294 HA TRP 36 HA TRP 36 -6.521 -1.080 3.982 295 1HB TRP 36 HB2 TRP 36 -7.114 -3.110 2.002 296 2HB TRP 36 HB3 TRP 36 -5.385 -2.878 2.203 297 HD1 TRP 36 HD1 TRP 36 -7.972 -4.995 3.492 298 HE1 TRP 36 HE1 TRP 36 -7.434 -5.873 5.854 299 HE3 TRP 36 HE3 TRP 36 -4.219 -1.759 4.722 300 HZ2 TRP 36 HZ2 TRP 36 -5.653 -5.269 7.955 301 HZ3 TRP 36 HZ3 TRP 36 -3.149 -1.974 6.924 302 HH2 TRP 36 HH2 TRP 36 -3.859 -3.693 8.504 303 H THR 37 H THR 37 -5.730 1.020 3.561 304 HA THR 37 HA THR 37 -3.684 1.077 1.443 305 HB THR 37 HB THR 37 -5.540 2.498 0.741 306 HG1 THR 37 HG1 THR 37 -3.540 4.285 1.656 307 1HG2 THR 37 2HG2 THR 37 -6.486 2.990 2.949 308 2HG2 THR 37 1HG2 THR 37 -5.078 3.979 3.342 309 3HG2 THR 37 3HG2 THR 37 -6.174 4.476 2.052 310 H ARG 38 H ARG 38 -1.892 2.652 1.930 311 HA ARG 38 HA ARG 38 -0.757 2.172 4.416 312 1HB ARG 38 HB2 ARG 38 -0.146 3.900 2.122 313 2HB ARG 38 HB3 ARG 38 0.479 4.481 3.651 314 1HG ARG 38 HG2 ARG 38 2.015 2.893 3.819 315 2HG ARG 38 HG3 ARG 38 0.961 1.661 3.129 316 1HD ARG 38 HD2 ARG 38 2.128 3.849 1.452 317 2HD ARG 38 HD3 ARG 38 2.996 2.381 1.772 318 HE ARG 38 HE ARG 38 1.035 2.676 -0.156 319 1HH1 ARG 38 1HH1 ARG 38 1.911 0.460 2.388 320 2HH1 ARG 38 2HH1 ARG 38 1.064 -0.878 1.691 321 1HH2 ARG 38 1HH2 ARG 38 -0.090 0.905 -1.068 322 2HH2 ARG 38 2HH2 ARG 38 -0.069 -0.625 -0.263 323 H VAL 39 H VAL 39 -0.657 3.233 6.337 324 HA VAL 39 HA VAL 39 -2.780 4.696 7.287 325 HB VAL 39 HB VAL 39 0.054 4.887 8.321 326 1HG1 VAL 39 3HG1 VAL 39 -2.601 5.303 9.692 327 2HG1 VAL 39 2HG1 VAL 39 -1.024 5.329 10.481 328 3HG1 VAL 39 1HG1 VAL 39 -1.430 6.555 9.280 329 1HG2 VAL 39 1HG2 VAL 39 -0.908 2.543 7.991 330 2HG2 VAL 39 3HG2 VAL 39 -0.291 2.950 9.593 331 3HG2 VAL 39 2HG2 VAL 39 -2.030 2.954 9.289 332 H GLY 40 H GLY 40 -3.280 6.836 7.532 333 1HA GLY 40 HA3 GLY 40 -1.484 8.977 7.094 334 2HA GLY 40 HA2 GLY 40 -3.235 9.103 7.163 335 H PHE 41 H PHE 41 -2.599 6.852 4.870 336 HA PHE 41 HA PHE 41 -2.521 8.859 2.719 337 1HB PHE 41 HB2 PHE 41 -1.449 6.043 2.706 338 2HB PHE 41 HB3 PHE 41 -1.505 7.088 1.301 339 HD1 PHE 41 HD1 PHE 41 0.970 5.794 2.512 340 HD2 PHE 41 HD2 PHE 41 -0.819 9.619 3.061 341 HE1 PHE 41 HE1 PHE 41 3.159 6.727 3.132 342 HE2 PHE 41 HE2 PHE 41 1.370 10.557 3.677 343 HZ PHE 41 HZ PHE 41 3.362 9.111 3.714 344 H VAL 42 H VAL 42 -4.918 8.310 3.861 345 HA VAL 42 HA VAL 42 -6.285 6.384 2.154 346 HB VAL 42 HB VAL 42 -6.893 6.435 4.519 347 1HG1 VAL 42 1HG1 VAL 42 -6.402 8.798 4.952 348 2HG1 VAL 42 3HG1 VAL 42 -7.830 9.257 4.023 349 3HG1 VAL 42 2HG1 VAL 42 -8.008 8.342 5.520 350 1HG2 VAL 42 3HG2 VAL 42 -9.081 7.449 2.708 351 2HG2 VAL 42 2HG2 VAL 42 -8.596 5.768 2.931 352 3HG2 VAL 42 1HG2 VAL 42 -9.331 6.657 4.264 353 H GLY 43 H GLY 43 -7.400 6.958 0.356 354 1HA GLY 43 HA3 GLY 43 -8.734 9.411 -0.020 355 2HA GLY 43 HA2 GLY 43 -8.293 8.288 -1.303 356 H LYS 44 H LYS 44 -5.462 8.608 -0.152 357 HA LYS 44 HA LYS 44 -4.601 11.258 -0.661 358 1HB LYS 44 HB2 LYS 44 -2.340 10.185 -0.597 359 2HB LYS 44 HB3 LYS 44 -3.341 9.810 0.801 360 1HG LYS 44 HG2 LYS 44 -2.661 7.724 0.375 361 2HG LYS 44 HG3 LYS 44 -3.997 7.754 -0.771 362 1HD LYS 44 HD2 LYS 44 -1.622 8.862 -1.943 363 2HD LYS 44 HD3 LYS 44 -1.312 7.249 -1.306 364 1HE LYS 44 HE2 LYS 44 -3.468 8.044 -3.260 365 2HE LYS 44 HE3 LYS 44 -2.033 7.083 -3.607 366 1HZ LYS 44 HZ2 LYS 44 -4.094 6.232 -1.657 367 2HZ LYS 44 HZ1 LYS 44 -4.151 5.810 -3.294 368 3HZ LYS 44 HZ3 LYS 44 -2.856 5.301 -2.335 369 H ASP 45 H ASP 45 -2.345 10.970 -2.219 370 HA ASP 45 HA ASP 45 -3.453 10.469 -4.889 371 1HB ASP 45 HB2 ASP 45 -1.391 12.410 -3.864 372 2HB ASP 45 HB3 ASP 45 -1.524 12.019 -5.570 373 H VAL 46 H VAL 46 -0.566 10.175 -2.874 374 HA VAL 46 HA VAL 46 0.176 7.738 -4.280 375 HB VAL 46 HB VAL 46 1.777 10.244 -4.337 376 1HG1 VAL 46 3HG1 VAL 46 2.993 7.495 -4.092 377 2HG1 VAL 46 2HG1 VAL 46 3.857 8.910 -4.691 378 3HG1 VAL 46 1HG1 VAL 46 3.257 8.880 -3.034 379 1HG2 VAL 46 1HG2 VAL 46 0.601 9.377 -6.303 380 2HG2 VAL 46 3HG2 VAL 46 2.349 9.413 -6.544 381 3HG2 VAL 46 2HG2 VAL 46 1.539 7.885 -6.191 382 H LEU 47 H LEU 47 0.386 6.286 -2.801 383 HA LEU 47 HA LEU 47 0.631 6.713 -0.057 384 1HB LEU 47 HB2 LEU 47 1.571 4.250 -1.516 385 2HB LEU 47 HB3 LEU 47 0.939 4.350 0.116 386 HG LEU 47 HG LEU 47 -0.709 4.962 -2.338 387 1HD1 LEU 47 3HD1 LEU 47 0.021 2.657 -2.448 388 2HD1 LEU 47 2HD1 LEU 47 -0.537 2.384 -0.798 389 3HD1 LEU 47 1HD1 LEU 47 -1.700 2.752 -2.072 390 1HD2 LEU 47 3HD2 LEU 47 -1.477 5.925 -0.192 391 2HD2 LEU 47 2HD2 LEU 47 -2.592 4.720 -0.834 392 3HD2 LEU 47 1HD2 LEU 47 -1.513 4.304 0.496 393 H SER 48 H SER 48 3.081 5.379 -2.248 394 HA SER 48 HA SER 48 5.284 5.485 -0.611 395 1HB SER 48 HB2 SER 48 6.613 5.468 -2.641 396 2HB SER 48 HB3 SER 48 5.196 4.454 -2.872 397 HG SER 48 HG SER 48 5.200 5.673 -4.651 398 H ASP 49 H ASP 49 7.272 6.988 -1.147 399 HA ASP 49 HA ASP 49 6.599 9.741 -1.668 400 1HB ASP 49 HB2 ASP 49 7.303 8.822 1.112 401 2HB ASP 49 HB3 ASP 49 7.593 10.475 0.578 402 H GLU 50 H GLU 50 9.176 9.093 0.525 403 HA GLU 50 HA GLU 50 11.124 9.175 -1.677 404 1HB GLU 50 HB2 GLU 50 12.495 10.691 -0.384 405 2HB GLU 50 HB3 GLU 50 10.879 11.367 -0.547 406 1HG GLU 50 HG2 GLU 50 10.323 10.644 1.701 407 2HG GLU 50 HG3 GLU 50 11.925 9.928 1.878 408 H ILE 51 H ILE 51 10.293 8.103 1.539 409 HA ILE 51 HA ILE 51 12.750 6.750 2.081 410 HB ILE 51 HB ILE 51 10.051 6.209 3.314 411 1HG1 ILE 51 2HG1 ILE 51 10.647 8.625 3.363 412 2HG1 ILE 51 3HG1 ILE 51 10.553 7.895 4.958 413 1HG2 ILE 51 2HG2 ILE 51 12.861 5.783 4.319 414 2HG2 ILE 51 1HG2 ILE 51 11.394 5.522 5.262 415 3HG2 ILE 51 3HG2 ILE 51 11.713 4.534 3.837 416 1HD1 ILE 51 1HD1 ILE 51 13.107 8.391 3.446 417 2HD1 ILE 51 3HD1 ILE 51 12.451 9.441 4.704 418 3HD1 ILE 51 2HD1 ILE 51 12.956 7.799 5.102 419 H LEU 52 H LEU 52 9.522 5.306 1.840 420 HA LEU 52 HA LEU 52 10.739 2.982 0.505 421 1HB LEU 52 HB2 LEU 52 8.094 3.210 1.946 422 2HB LEU 52 HB3 LEU 52 8.727 1.753 1.209 423 HG LEU 52 HG LEU 52 10.002 3.193 3.529 424 1HD1 LEU 52 3HD1 LEU 52 8.338 0.682 3.474 425 2HD1 LEU 52 2HD1 LEU 52 9.191 1.321 4.879 426 3HD1 LEU 52 1HD1 LEU 52 7.861 2.233 4.166 427 1HD2 LEU 52 2HD2 LEU 52 10.612 0.545 2.234 428 2HD2 LEU 52 1HD2 LEU 52 11.629 1.986 2.217 429 3HD2 LEU 52 3HD2 LEU 52 11.334 1.132 3.732 430 H GLU 53 H GLU 53 10.472 2.917 -1.649 431 HA GLU 53 HA GLU 53 8.508 4.434 -3.031 432 1HB GLU 53 HB2 GLU 53 10.675 2.589 -3.709 433 2HB GLU 53 HB3 GLU 53 9.295 2.446 -4.788 434 1HG GLU 53 HG2 GLU 53 10.183 5.181 -4.208 435 2HG GLU 53 HG3 GLU 53 11.312 4.180 -5.119 436 H VAL 54 H VAL 54 6.673 3.654 -1.700 437 HA VAL 54 HA VAL 54 5.803 0.942 -2.037 438 HB VAL 54 HB VAL 54 3.897 3.003 -1.075 439 1HG1 VAL 54 2HG1 VAL 54 4.641 0.187 -0.330 440 2HG1 VAL 54 1HG1 VAL 54 3.487 1.158 0.583 441 3HG1 VAL 54 3HG1 VAL 54 3.160 0.754 -1.102 442 1HG2 VAL 54 1HG2 VAL 54 6.323 2.130 0.489 443 2HG2 VAL 54 3HG2 VAL 54 5.935 3.768 -0.034 444 3HG2 VAL 54 2HG2 VAL 54 4.925 2.965 1.166 445 H VAL 55 H VAL 55 5.532 0.655 -4.241 446 HA VAL 55 HA VAL 55 3.526 2.261 -5.601 447 HB VAL 55 HB VAL 55 5.057 -0.106 -6.655 448 1HG1 VAL 55 1HG1 VAL 55 2.987 0.465 -7.857 449 2HG1 VAL 55 3HG1 VAL 55 3.600 2.100 -8.105 450 3HG1 VAL 55 2HG1 VAL 55 4.426 0.729 -8.845 451 1HG2 VAL 55 3HG2 VAL 55 6.621 1.637 -5.976 452 2HG2 VAL 55 2HG2 VAL 55 6.550 1.523 -7.735 453 3HG2 VAL 55 1HG2 VAL 55 5.711 2.831 -6.901 454 H CYS 56 H CYS 56 1.644 1.662 -4.560 455 HA CYS 56 HA CYS 56 0.895 -1.168 -4.843 456 1HB CYS 56 HB2 CYS 56 0.928 -0.691 -2.531 457 2HB CYS 56 HB3 CYS 56 0.131 0.858 -2.761 458 HG CYS 56 HG CYS 56 -2.009 -0.253 -1.804 459 H LYS 57 H LYS 57 -1.088 -1.707 -5.608 460 HA LYS 57 HA LYS 57 -2.707 0.477 -6.713 461 1HB LYS 57 HB2 LYS 57 -2.024 -2.149 -8.025 462 2HB LYS 57 HB3 LYS 57 -3.202 -1.006 -8.646 463 1HG LYS 57 HG2 LYS 57 -1.555 0.594 -9.136 464 2HG LYS 57 HG3 LYS 57 -0.342 -0.238 -8.161 465 1HD LYS 57 HD2 LYS 57 -1.589 -1.493 -10.592 466 2HD LYS 57 HD3 LYS 57 -0.150 -0.475 -10.688 467 1HE LYS 57 HE2 LYS 57 -0.438 -3.004 -9.070 468 2HE LYS 57 HE3 LYS 57 0.457 -2.831 -10.579 469 1HZ LYS 57 HZ2 LYS 57 1.931 -1.262 -9.481 470 2HZ LYS 57 HZ1 LYS 57 1.073 -1.431 -8.034 471 3HZ LYS 57 HZ3 LYS 57 1.927 -2.746 -8.670 472 H TYR 58 H TYR 58 -4.707 0.448 -6.078 473 HA TYR 58 HA TYR 58 -5.729 -1.791 -4.550 474 1HB TYR 58 HB2 TYR 58 -6.023 0.619 -3.837 475 2HB TYR 58 HB3 TYR 58 -7.110 0.826 -5.207 476 HD1 TYR 58 HD1 TYR 58 -8.717 -1.613 -5.142 477 HD2 TYR 58 HD2 TYR 58 -7.300 0.801 -1.911 478 HE1 TYR 58 HE1 TYR 58 -10.594 -2.382 -3.774 479 HE2 TYR 58 HE2 TYR 58 -9.209 0.040 -0.546 480 HH TYR 58 HH TYR 58 -11.459 -0.882 -0.850 481 H THR 59 H THR 59 -6.386 -3.442 -5.783 482 HA THR 59 HA THR 59 -7.955 -2.880 -8.207 483 HB THR 59 HB THR 59 -6.660 -5.485 -7.383 484 HG1 THR 59 HG1 THR 59 -4.876 -4.641 -8.137 485 1HG2 THR 59 2HG2 THR 59 -8.530 -5.748 -8.936 486 2HG2 THR 59 1HG2 THR 59 -7.811 -4.560 -10.023 487 3HG2 THR 59 3HG2 THR 59 -6.999 -6.100 -9.738 488 HA PRO 60 HA PRO 60 -11.372 -4.782 -6.008 489 1HB PRO 60 HB2 PRO 60 -13.266 -3.716 -7.674 490 2HB PRO 60 HB3 PRO 60 -12.508 -2.829 -6.353 491 1HG PRO 60 HG2 PRO 60 -12.254 -2.375 -9.180 492 2HG PRO 60 HG3 PRO 60 -11.522 -1.461 -7.853 493 1HD PRO 60 HD2 PRO 60 -10.352 -3.583 -9.537 494 2HD PRO 60 HD3 PRO 60 -9.560 -2.279 -8.630 495 H THR 61 H THR 61 -13.720 -5.363 -7.552 496 HA THR 61 HA THR 61 -12.953 -7.908 -8.658 497 HB THR 61 HB THR 61 -15.720 -7.010 -9.124 498 HG1 THR 61 HG1 THR 61 -16.277 -6.814 -7.012 499 1HG2 THR 61 2HG2 THR 61 -14.475 -9.396 -7.757 500 2HG2 THR 61 1HG2 THR 61 -16.202 -9.190 -8.042 501 3HG2 THR 61 3HG2 THR 61 -15.094 -9.328 -9.406 502 HA PRO 62 HA PRO 62 -12.478 -6.677 -12.882 503 1HB PRO 62 HB2 PRO 62 -13.646 -9.306 -13.583 504 2HB PRO 62 HB3 PRO 62 -12.070 -8.628 -13.999 505 1HG PRO 62 HG2 PRO 62 -12.288 -10.576 -12.187 506 2HG PRO 62 HG3 PRO 62 -11.120 -9.257 -11.977 507 1HD PRO 62 HD2 PRO 62 -13.789 -9.645 -10.678 508 2HD PRO 62 HD3 PRO 62 -12.260 -9.080 -9.969 509 H SER 63 H SER 63 -14.054 -5.085 -13.087 510 HA SER 63 HA SER 63 -16.730 -5.986 -13.903 511 1HB SER 63 HB2 SER 63 -15.848 -3.277 -12.876 512 2HB SER 63 HB3 SER 63 -17.497 -3.732 -13.299 513 HG SER 63 HG SER 63 -16.001 -5.145 -11.364 514 H SER 64 H SER 64 -17.619 -3.722 -15.181 515 HA SER 64 HA SER 64 -15.840 -3.577 -17.525 516 1HB SER 64 HB2 SER 64 -17.883 -4.831 -18.014 517 2HB SER 64 HB3 SER 64 -18.865 -3.481 -17.445 518 HG SER 64 HG SER 64 -16.995 -2.928 -19.426 519 H THR 65 H THR 65 -18.311 -1.796 -15.688 520 HA THR 65 HA THR 65 -17.338 0.697 -16.862 521 HB THR 65 HB THR 65 -19.803 0.249 -15.180 522 HG1 THR 65 HG1 THR 65 -20.754 -0.217 -17.010 523 1HG2 THR 65 1HG2 THR 65 -18.897 2.660 -16.759 524 2HG2 THR 65 3HG2 THR 65 -20.449 2.494 -15.935 525 3HG2 THR 65 2HG2 THR 65 -18.954 2.533 -15.000 526 HA PRO 66 HA PRO 66 -16.995 1.541 -12.106 527 1HB PRO 66 HB2 PRO 66 -17.015 -1.124 -10.881 528 2HB PRO 66 HB3 PRO 66 -17.965 0.304 -10.464 529 1HG PRO 66 HG2 PRO 66 -19.082 -1.857 -11.615 530 2HG PRO 66 HG3 PRO 66 -19.644 -0.211 -11.962 531 1HD PRO 66 HD2 PRO 66 -17.831 -1.972 -13.579 532 2HD PRO 66 HD3 PRO 66 -19.178 -0.954 -14.127 533 H MET 67 H MET 67 -15.070 1.678 -10.945 534 HA MET 67 HA MET 67 -13.017 -0.327 -11.236 535 1HB MET 67 HB2 MET 67 -12.909 1.044 -13.353 536 2HB MET 67 HB3 MET 67 -12.511 2.436 -12.356 537 1HG MET 67 HG2 MET 67 -10.511 1.280 -11.556 538 2HG MET 67 HG3 MET 67 -10.901 -0.095 -12.585 539 1HE MET 67 HE1 MET 67 -9.850 3.680 -12.478 540 2HE MET 67 HE3 MET 67 -9.803 4.090 -14.192 541 3HE MET 67 HE2 MET 67 -11.344 3.733 -13.413 542 H VAL 68 H VAL 68 -14.624 1.326 -9.265 543 HA VAL 68 HA VAL 68 -12.357 2.094 -7.568 544 HB VAL 68 HB VAL 68 -14.852 3.718 -8.056 545 1HG1 VAL 68 3HG1 VAL 68 -12.731 4.086 -5.938 546 2HG1 VAL 68 2HG1 VAL 68 -13.980 5.266 -6.333 547 3HG1 VAL 68 1HG1 VAL 68 -14.429 3.695 -5.669 548 1HG2 VAL 68 3HG2 VAL 68 -11.924 4.356 -8.396 549 2HG2 VAL 68 2HG2 VAL 68 -13.092 4.070 -9.686 550 3HG2 VAL 68 1HG2 VAL 68 -13.253 5.487 -8.649 551 H GLY 69 H GLY 69 -12.459 0.525 -6.058 552 1HA GLY 69 HA3 GLY 69 -14.394 0.539 -4.052 553 2HA GLY 69 HA2 GLY 69 -13.261 -0.773 -4.342 554 H VAL 70 H VAL 70 -13.878 -2.473 -5.791 555 HA VAL 70 HA VAL 70 -16.794 -2.740 -6.030 556 HB VAL 70 HB VAL 70 -15.002 -4.129 -7.973 557 1HG1 VAL 70 1HG1 VAL 70 -17.805 -3.029 -8.145 558 2HG1 VAL 70 3HG1 VAL 70 -16.966 -3.905 -9.427 559 3HG1 VAL 70 2HG1 VAL 70 -17.357 -4.719 -7.911 560 1HG2 VAL 70 1HG2 VAL 70 -15.847 -1.241 -8.150 561 2HG2 VAL 70 3HG2 VAL 70 -14.202 -1.885 -8.171 562 3HG2 VAL 70 2HG2 VAL 70 -15.288 -2.189 -9.528 563 H GLY 71 H GLY 71 -13.804 -4.131 -5.132 564 1HA GLY 71 HA3 GLY 71 -15.159 -6.670 -4.467 565 2HA GLY 71 HA2 GLY 71 -14.093 -5.860 -3.336 566 H GLY 72 H GLY 72 -11.837 -5.775 -3.804 567 1HA GLY 72 HA3 GLY 72 -10.283 -6.562 -5.771 568 2HA GLY 72 HA2 GLY 72 -10.959 -8.118 -5.324 569 H ILE 73 H ILE 73 -8.247 -6.482 -5.053 570 HA ILE 73 HA ILE 73 -7.784 -7.091 -2.227 571 HB ILE 73 HB ILE 73 -5.585 -8.042 -2.760 572 1HG1 ILE 73 2HG1 ILE 73 -6.391 -8.522 -5.581 573 2HG1 ILE 73 3HG1 ILE 73 -5.707 -6.952 -5.157 574 1HG2 ILE 73 2HG2 ILE 73 -7.572 -9.456 -2.343 575 2HG2 ILE 73 1HG2 ILE 73 -7.768 -9.606 -4.090 576 3HG2 ILE 73 3HG2 ILE 73 -6.312 -10.228 -3.307 577 1HD1 ILE 73 1HD1 ILE 73 -3.748 -8.107 -4.201 578 2HD1 ILE 73 3HD1 ILE 73 -4.422 -9.641 -4.752 579 3HD1 ILE 73 2HD1 ILE 73 -3.960 -8.410 -5.928 580 H TYR 74 H TYR 74 -5.120 -6.544 -2.104 581 HA TYR 74 HA TYR 74 -4.763 -3.850 -3.191 582 1HB TYR 74 HB2 TYR 74 -4.014 -4.338 -0.336 583 2HB TYR 74 HB3 TYR 74 -4.489 -2.837 -1.128 584 HD1 TYR 74 HD1 TYR 74 -5.782 -6.015 0.266 585 HD2 TYR 74 HD2 TYR 74 -6.759 -2.117 -1.118 586 HE1 TYR 74 HE1 TYR 74 -8.049 -6.277 1.163 587 HE2 TYR 74 HE2 TYR 74 -9.034 -2.377 -0.214 588 HH TYR 74 HH TYR 74 -10.589 -4.179 0.376 589 H VAL 75 H VAL 75 -3.049 -4.410 -4.507 590 HA VAL 75 HA VAL 75 -0.914 -6.058 -3.413 591 HB VAL 75 HB VAL 75 -1.651 -6.537 -5.699 592 1HG1 VAL 75 3HG1 VAL 75 -2.264 -4.228 -6.330 593 2HG1 VAL 75 2HG1 VAL 75 -0.546 -3.834 -6.432 594 3HG1 VAL 75 1HG1 VAL 75 -1.244 -5.027 -7.527 595 1HG2 VAL 75 3HG2 VAL 75 0.633 -7.068 -5.056 596 2HG2 VAL 75 2HG2 VAL 75 0.558 -6.597 -6.754 597 3HG2 VAL 75 1HG2 VAL 75 1.161 -5.459 -5.549 598 H VAL 76 H VAL 76 0.596 -5.151 -2.280 599 HA VAL 76 HA VAL 76 1.342 -2.357 -2.813 600 HB VAL 76 HB VAL 76 1.959 -3.968 -0.345 601 1HG1 VAL 76 1HG1 VAL 76 2.018 -1.007 -0.893 602 2HG1 VAL 76 3HG1 VAL 76 2.332 -1.767 0.668 603 3HG1 VAL 76 2HG1 VAL 76 3.416 -2.064 -0.691 604 1HG2 VAL 76 2HG2 VAL 76 -0.455 -3.816 -0.618 605 2HG2 VAL 76 1HG2 VAL 76 0.090 -2.811 0.726 606 3HG2 VAL 76 3HG2 VAL 76 -0.332 -2.068 -0.817 607 H LEU 77 H LEU 77 3.271 -1.898 -3.675 608 HA LEU 77 HA LEU 77 5.403 -3.923 -3.498 609 1HB LEU 77 HB2 LEU 77 4.918 -1.795 -5.582 610 2HB LEU 77 HB3 LEU 77 6.360 -2.786 -5.513 611 HG LEU 77 HG LEU 77 3.532 -3.737 -6.016 612 1HD1 LEU 77 1HD1 LEU 77 5.974 -3.669 -7.783 613 2HD1 LEU 77 3HD1 LEU 77 4.412 -4.368 -8.211 614 3HD1 LEU 77 2HD1 LEU 77 4.554 -2.633 -7.927 615 1HD2 LEU 77 1HD2 LEU 77 5.163 -5.236 -4.643 616 2HD2 LEU 77 3HD2 LEU 77 4.243 -5.924 -5.982 617 3HD2 LEU 77 2HD2 LEU 77 5.937 -5.491 -6.209 618 H VAL 78 H VAL 78 6.298 -3.227 -1.572 619 HA VAL 78 HA VAL 78 7.029 -0.407 -1.350 620 HB VAL 78 HB VAL 78 7.951 -2.145 0.812 621 1HG1 VAL 78 2HG1 VAL 78 7.847 0.349 0.847 622 2HG1 VAL 78 1HG1 VAL 78 6.085 0.239 0.816 623 3HG1 VAL 78 3HG1 VAL 78 6.990 -0.411 2.186 624 1HG2 VAL 78 1HG2 VAL 78 4.994 -1.957 0.251 625 2HG2 VAL 78 3HG2 VAL 78 5.971 -3.424 0.230 626 3HG2 VAL 78 2HG2 VAL 78 5.712 -2.557 1.744 627 H LYS 79 H LYS 79 8.769 0.121 -2.456 628 HA LYS 79 HA LYS 79 11.114 -1.649 -2.408 629 1HB LYS 79 HB2 LYS 79 10.099 0.401 -4.336 630 2HB LYS 79 HB3 LYS 79 11.821 0.058 -4.284 631 1HG LYS 79 HG2 LYS 79 11.365 -2.300 -4.735 632 2HG LYS 79 HG3 LYS 79 9.628 -1.950 -4.806 633 1HD LYS 79 HD2 LYS 79 11.717 -0.717 -6.607 634 2HD LYS 79 HD3 LYS 79 10.699 -2.090 -7.040 635 1HE LYS 79 HE2 LYS 79 8.703 -0.705 -6.732 636 2HE LYS 79 HE3 LYS 79 9.725 0.669 -6.308 637 1HZ LYS 79 HZ2 LYS 79 10.704 0.572 -8.518 638 2HZ LYS 79 HZ1 LYS 79 9.714 -0.737 -8.924 639 3HZ LYS 79 HZ3 LYS 79 9.028 0.778 -8.611 640 HA PRO 80 HA PRO 80 12.410 1.460 0.706 641 1HB PRO 80 HB2 PRO 80 14.843 0.095 1.045 642 2HB PRO 80 HB3 PRO 80 13.410 -0.033 2.065 643 1HG PRO 80 HG2 PRO 80 14.352 -1.819 -0.113 644 2HG PRO 80 HG3 PRO 80 13.462 -2.218 1.366 645 1HD PRO 80 HD2 PRO 80 12.263 -2.174 -1.041 646 2HD PRO 80 HD3 PRO 80 11.415 -1.666 0.436 647 H ARG 81 H ARG 81 12.826 3.228 -0.494 648 HA ARG 81 HA ARG 81 14.718 3.367 -2.593 649 1HB ARG 81 HB2 ARG 81 12.891 5.175 -1.237 650 2HB ARG 81 HB3 ARG 81 14.409 5.961 -1.647 651 1HG ARG 81 HG2 ARG 81 14.133 5.460 -3.957 652 2HG ARG 81 HG3 ARG 81 12.745 4.423 -3.622 653 1HD ARG 81 HD2 ARG 81 11.429 6.287 -2.927 654 2HD ARG 81 HD3 ARG 81 12.824 7.367 -2.993 655 HE ARG 81 HE ARG 81 12.243 6.130 -5.512 656 1HH1 ARG 81 1HH1 ARG 81 11.423 8.771 -3.391 657 2HH1 ARG 81 2HH1 ARG 81 10.841 9.786 -4.669 658 1HH2 ARG 81 1HH2 ARG 81 11.480 7.459 -7.200 659 2HH2 ARG 81 2HH2 ARG 81 10.873 9.039 -6.834 660 H LYS 82 H LYS 82 14.868 4.015 0.848 661 HA LYS 82 HA LYS 82 17.742 4.603 0.575 662 1HB LYS 82 HB2 LYS 82 15.972 5.470 2.859 663 2HB LYS 82 HB3 LYS 82 17.609 6.004 2.509 664 1HG LYS 82 HG2 LYS 82 16.814 7.111 0.479 665 2HG LYS 82 HG3 LYS 82 15.170 6.576 0.838 666 1HD LYS 82 HD2 LYS 82 15.258 7.830 2.961 667 2HD LYS 82 HD3 LYS 82 16.862 8.422 2.519 668 1HE LYS 82 HE2 LYS 82 14.312 8.899 0.976 669 2HE LYS 82 HE3 LYS 82 15.126 10.070 2.013 670 1HZ LYS 82 HZ3 LYS 82 17.047 9.976 0.547 671 2HZ LYS 82 HZ2 LYS 82 16.260 8.859 -0.450 672 3HZ LYS 82 HZ1 LYS 82 15.661 10.434 -0.309 673 H ARG 83 H ARG 83 18.808 4.209 2.888 674 HA ARG 83 HA ARG 83 18.005 1.499 3.728 675 1HB ARG 83 HB2 ARG 83 20.792 2.659 3.758 676 2HB ARG 83 HB3 ARG 83 20.337 1.005 4.138 677 1HG ARG 83 HG2 ARG 83 19.789 0.538 1.886 678 2HG ARG 83 HG3 ARG 83 19.872 2.243 1.442 679 1HD ARG 83 HD2 ARG 83 21.853 1.011 0.694 680 2HD ARG 83 HD3 ARG 83 22.259 2.266 1.865 681 HE ARG 83 HE ARG 83 21.849 -0.248 3.129 682 1HH1 ARG 83 1HH1 ARG 83 24.152 1.593 1.274 683 2HH1 ARG 83 2HH1 ARG 83 25.528 0.756 1.911 684 1HH2 ARG 83 1HH2 ARG 83 23.655 -1.356 3.974 685 2HH2 ARG 83 2HH2 ARG 83 25.245 -0.920 3.445 686 H GLY 84 H GLY 84 18.094 0.984 5.922 687 1HA GLY 84 HA3 GLY 84 18.023 3.324 7.688 688 2HA GLY 84 HA2 GLY 84 19.138 2.027 8.087 689 H HIS 85 H HIS 85 16.841 3.076 9.578 690 HA HIS 85 HA HIS 85 15.554 0.516 10.108 691 1HB HIS 85 HB2 HIS 85 16.571 2.016 11.906 692 2HB HIS 85 HB3 HIS 85 15.194 3.083 11.646 693 HD1 HIS 85 HD1 HIS 85 13.072 2.514 12.847 694 HD2 HIS 85 HD2 HIS 85 15.821 -0.602 12.911 695 HE1 HIS 85 HE1 HIS 85 12.104 0.796 14.410 696 HE2 HIS 85 HE2 HIS 85 13.822 -1.046 14.493 697 H HIS 86 H HIS 86 14.892 2.126 7.740 698 HA HIS 86 HA HIS 86 12.579 3.578 7.836 699 1HB HIS 86 HB2 HIS 86 13.248 1.500 5.741 700 2HB HIS 86 HB3 HIS 86 12.163 2.875 5.539 701 HD1 HIS 86 HD1 HIS 86 13.651 5.239 6.376 702 HD2 HIS 86 HD2 HIS 86 15.566 2.070 4.492 703 HE1 HIS 86 HE1 HIS 86 15.772 6.203 5.430 704 HE2 HIS 86 HE2 HIS 86 16.953 4.249 4.366 705 H THR 87 H THR 87 10.338 3.024 7.379 706 HA THR 87 HA THR 87 9.474 0.312 7.858 707 HB THR 87 HB THR 87 8.929 2.476 9.892 708 HG1 THR 87 HG1 THR 87 10.223 1.320 11.144 709 1HG2 THR 87 1HG2 THR 87 7.669 -0.257 9.628 710 2HG2 THR 87 3HG2 THR 87 7.509 0.800 11.029 711 3HG2 THR 87 2HG2 THR 87 6.852 1.298 9.470 712 H LEU 88 H LEU 88 7.330 -0.065 7.329 713 HA LEU 88 HA LEU 88 5.972 2.153 5.951 714 1HB LEU 88 HB2 LEU 88 6.643 0.015 4.693 715 2HB LEU 88 HB3 LEU 88 5.382 -0.770 5.613 716 HG LEU 88 HG LEU 88 3.745 0.856 4.667 717 1HD1 LEU 88 1HD1 LEU 88 5.316 2.634 4.115 718 2HD1 LEU 88 3HD1 LEU 88 6.069 1.601 2.901 719 3HD1 LEU 88 2HD1 LEU 88 4.401 2.131 2.695 720 1HD2 LEU 88 3HD2 LEU 88 5.292 -0.959 2.840 721 2HD2 LEU 88 2HD2 LEU 88 3.794 -1.300 3.704 722 3HD2 LEU 88 1HD2 LEU 88 3.796 -0.159 2.359 723 H GLU 89 H GLU 89 3.534 1.992 6.008 724 HA GLU 89 HA GLU 89 2.445 0.633 8.319 725 1HB GLU 89 HB2 GLU 89 2.674 3.618 8.126 726 2HB GLU 89 HB3 GLU 89 1.393 2.864 9.066 727 1HG GLU 89 HG2 GLU 89 3.154 1.604 10.291 728 2HG GLU 89 HG3 GLU 89 4.353 2.605 9.473 729 H LEU 90 H LEU 90 0.616 -0.236 7.716 730 HA LEU 90 HA LEU 90 -1.075 1.144 5.761 731 1HB LEU 90 HB2 LEU 90 -0.512 -1.762 6.227 732 2HB LEU 90 HB3 LEU 90 -1.993 -1.256 5.435 733 HG LEU 90 HG LEU 90 -0.683 -0.137 3.705 734 1HD1 LEU 90 2HD1 LEU 90 1.602 -1.000 5.397 735 2HD1 LEU 90 1HD1 LEU 90 1.807 -0.837 3.652 736 3HD1 LEU 90 3HD1 LEU 90 1.298 0.553 4.612 737 1HD2 LEU 90 2HD2 LEU 90 -1.381 -2.445 3.359 738 2HD2 LEU 90 1HD2 LEU 90 0.178 -2.137 2.596 739 3HD2 LEU 90 3HD2 LEU 90 0.103 -3.013 4.124 740 H VAL 91 H VAL 91 -3.421 0.700 5.996 741 HA VAL 91 HA VAL 91 -4.345 -0.144 8.598 742 HB VAL 91 HB VAL 91 -3.592 2.181 9.015 743 1HG1 VAL 91 2HG1 VAL 91 -5.706 2.886 6.977 744 2HG1 VAL 91 1HG1 VAL 91 -4.889 4.040 8.033 745 3HG1 VAL 91 3HG1 VAL 91 -3.966 3.140 6.830 746 1HG2 VAL 91 2HG2 VAL 91 -6.571 1.747 9.176 747 2HG2 VAL 91 1HG2 VAL 91 -5.372 1.254 10.371 748 3HG2 VAL 91 3HG2 VAL 91 -5.669 2.967 10.074 749 H TYR 92 H TYR 92 -6.624 -0.276 8.769 750 HA TYR 92 HA TYR 92 -8.009 -0.395 6.187 751 1HB TYR 92 HB2 TYR 92 -7.851 -2.341 7.961 752 2HB TYR 92 HB3 TYR 92 -9.149 -1.455 8.753 753 HD1 TYR 92 HD1 TYR 92 -10.983 -2.876 8.500 754 HD2 TYR 92 HD2 TYR 92 -8.604 -1.932 5.100 755 HE1 TYR 92 HE1 TYR 92 -12.622 -3.995 7.049 756 HE2 TYR 92 HE2 TYR 92 -10.240 -3.044 3.640 757 HH TYR 92 HH TYR 92 -11.986 -4.773 3.813 758 H THR 93 H THR 93 -8.449 1.830 5.981 759 HA THR 93 HA THR 93 -10.163 3.032 8.059 760 HB THR 93 HB THR 93 -8.190 4.328 7.757 761 HG1 THR 93 HG1 THR 93 -9.476 6.094 6.274 762 1HG2 THR 93 3HG2 THR 93 -7.525 3.408 5.576 763 2HG2 THR 93 2HG2 THR 93 -8.803 4.342 4.801 764 3HG2 THR 93 1HG2 THR 93 -7.461 5.171 5.591 765 H ARG 94 H ARG 94 -11.660 4.776 7.174 766 HA ARG 94 HA ARG 94 -13.101 3.684 4.855 767 1HB ARG 94 HB2 ARG 94 -14.097 5.537 7.029 768 2HB ARG 94 HB3 ARG 94 -15.065 4.873 5.721 769 1HG ARG 94 HG2 ARG 94 -14.690 2.619 6.590 770 2HG ARG 94 HG3 ARG 94 -13.739 3.297 7.913 771 1HD ARG 94 HD2 ARG 94 -16.007 2.816 8.644 772 2HD ARG 94 HD3 ARG 94 -15.693 4.550 8.679 773 HE ARG 94 HE ARG 94 -16.835 3.976 6.215 774 1HH1 ARG 94 1HH1 ARG 94 -17.718 3.826 9.582 775 2HH1 ARG 94 2HH1 ARG 94 -19.405 4.080 9.283 776 1HH2 ARG 94 1HH2 ARG 94 -19.054 4.310 5.812 777 2HH2 ARG 94 2HH2 ARG 94 -20.165 4.354 7.141 778 HA PRO 95 HA PRO 95 -11.094 7.360 2.921 779 1HB PRO 95 HB2 PRO 95 -12.601 6.066 0.686 780 2HB PRO 95 HB3 PRO 95 -10.973 6.753 0.693 781 1HG PRO 95 HG2 PRO 95 -11.305 4.121 0.783 782 2HG PRO 95 HG3 PRO 95 -10.056 4.902 1.774 783 1HD PRO 95 HD2 PRO 95 -12.705 3.795 2.585 784 2HD PRO 95 HD3 PRO 95 -11.168 3.817 3.470 785 H PHE 96 H PHE 96 -14.412 6.221 2.812 786 HA PHE 96 HA PHE 96 -15.519 8.610 1.751 787 1HB PHE 96 HB2 PHE 96 -16.763 6.290 3.230 788 2HB PHE 96 HB3 PHE 96 -17.660 7.562 2.423 789 HD1 PHE 96 HD1 PHE 96 -15.288 4.793 1.860 790 HD2 PHE 96 HD2 PHE 96 -18.091 7.479 0.115 791 HE1 PHE 96 HE1 PHE 96 -15.189 3.521 -0.243 792 HE2 PHE 96 HE2 PHE 96 -18.001 6.210 -1.991 793 HZ PHE 96 HZ PHE 96 -16.548 4.229 -2.172 794 H GLU 97 H GLU 97 -14.926 7.352 4.982 795 HA GLU 97 HA GLU 97 -16.081 9.807 6.125 796 1HB GLU 97 HB2 GLU 97 -15.504 7.183 7.513 797 2HB GLU 97 HB3 GLU 97 -16.289 8.584 8.227 798 1HG GLU 97 HG2 GLU 97 -17.363 6.928 5.955 799 2HG GLU 97 HG3 GLU 97 -17.898 6.861 7.633 800 H GLY 98 H GLY 98 -13.688 7.511 7.385 801 1HA GLY 98 HA3 GLY 98 -12.140 9.526 8.629 802 2HA GLY 98 HA2 GLY 98 -11.387 9.069 7.106 803 H ILE 99 H ILE 99 -9.885 8.668 9.183 804 HA ILE 99 HA ILE 99 -9.839 5.757 9.411 805 HB ILE 99 HB ILE 99 -7.660 7.587 10.345 806 1HG1 ILE 99 2HG1 ILE 99 -7.819 6.512 7.536 807 2HG1 ILE 99 3HG1 ILE 99 -8.452 8.104 7.947 808 1HG2 ILE 99 3HG2 ILE 99 -7.936 4.718 9.567 809 2HG2 ILE 99 2HG2 ILE 99 -6.370 5.515 9.397 810 3HG2 ILE 99 1HG2 ILE 99 -7.150 5.429 10.977 811 1HD1 ILE 99 2HD1 ILE 99 -5.606 7.185 8.311 812 2HD1 ILE 99 1HD1 ILE 99 -6.203 8.230 7.022 813 3HD1 ILE 99 3HD1 ILE 99 -6.236 8.787 8.695 814 H LYS 100 H LYS 100 -9.627 4.689 11.387 815 HA LYS 100 HA LYS 100 -10.032 6.295 13.812 816 1HB LYS 100 HB2 LYS 100 -11.563 3.745 13.494 817 2HB LYS 100 HB3 LYS 100 -11.931 5.154 14.482 818 1HG LYS 100 HG2 LYS 100 -12.510 6.413 12.465 819 2HG LYS 100 HG3 LYS 100 -12.178 4.981 11.489 820 1HD LYS 100 HD2 LYS 100 -14.178 4.106 11.939 821 2HD LYS 100 HD3 LYS 100 -13.991 4.396 13.671 822 1HE LYS 100 HE2 LYS 100 -14.656 6.733 13.337 823 2HE LYS 100 HE3 LYS 100 -14.886 6.415 11.616 824 1HZ LYS 100 HZ3 LYS 100 -16.603 4.808 12.182 825 2HZ LYS 100 HZ2 LYS 100 -16.385 5.119 13.831 826 3HZ LYS 100 HZ1 LYS 100 -16.979 6.333 12.813 827 HA PRO 101 HA PRO 101 -7.026 3.724 15.741 828 1HB PRO 101 HB2 PRO 101 -8.823 3.442 18.077 829 2HB PRO 101 HB3 PRO 101 -7.196 4.119 17.984 830 1HG PRO 101 HG2 PRO 101 -9.322 5.702 18.292 831 2HG PRO 101 HG3 PRO 101 -7.957 6.192 17.274 832 1HD PRO 101 HD2 PRO 101 -10.627 5.099 16.472 833 2HD PRO 101 HD3 PRO 101 -9.681 6.412 15.739 834 H GLU 102 H GLU 102 -10.329 2.563 16.411 835 HA GLU 102 HA GLU 102 -9.670 -0.098 16.928 836 1HB GLU 102 HB2 GLU 102 -12.058 -0.572 16.415 837 2HB GLU 102 HB3 GLU 102 -11.814 0.744 17.559 838 1HG GLU 102 HG2 GLU 102 -12.141 2.359 15.779 839 2HG GLU 102 HG3 GLU 102 -12.372 1.048 14.626 840 H ASN 103 H ASN 103 -9.527 1.572 14.002 841 HA ASN 103 HA ASN 103 -10.275 -0.435 12.172 842 1HB ASN 103 HB2 ASN 103 -8.438 1.942 11.935 843 2HB ASN 103 HB3 ASN 103 -8.795 0.883 10.577 844 1HD2 ASN 103 1HD2 ASN 103 -11.242 1.431 12.943 845 2HD2 ASN 103 2HD2 ASN 103 -12.227 2.480 11.990 846 H GLU 104 H GLU 104 -9.022 -1.859 10.933 847 HA GLU 104 HA GLU 104 -7.086 -3.324 12.289 848 1HB GLU 104 HB2 GLU 104 -8.562 -3.702 10.042 849 2HB GLU 104 HB3 GLU 104 -6.977 -3.418 9.339 850 1HG GLU 104 HG2 GLU 104 -6.042 -5.265 10.436 851 2HG GLU 104 HG3 GLU 104 -7.419 -5.421 11.525 852 H ARG 105 H ARG 105 -4.832 -3.733 11.533 853 HA ARG 105 HA ARG 105 -3.512 -1.339 10.457 854 1HB ARG 105 HB2 ARG 105 -3.377 -1.157 12.890 855 2HB ARG 105 HB3 ARG 105 -2.734 -2.786 13.000 856 1HG ARG 105 HG2 ARG 105 -0.763 -1.698 13.134 857 2HG ARG 105 HG3 ARG 105 -0.903 -1.696 11.375 858 1HD ARG 105 HD2 ARG 105 -0.382 0.521 11.970 859 2HD ARG 105 HD3 ARG 105 -2.106 0.514 11.590 860 HE ARG 105 HE ARG 105 -1.702 0.066 14.352 861 1HH1 ARG 105 1HH1 ARG 105 -1.575 2.582 11.943 862 2HH1 ARG 105 2HH1 ARG 105 -1.920 3.854 13.067 863 1HH2 ARG 105 1HH2 ARG 105 -2.159 1.735 15.838 864 2HH2 ARG 105 2HH2 ARG 105 -2.252 3.373 15.281 865 H TYR 106 H TYR 106 -1.297 -1.750 9.749 866 HA TYR 106 HA TYR 106 -0.249 -4.390 9.662 867 1HB TYR 106 HB2 TYR 106 -1.931 -4.613 7.899 868 2HB TYR 106 HB3 TYR 106 -1.219 -3.243 7.042 869 HD1 TYR 106 HD1 TYR 106 -0.885 -6.774 7.889 870 HD2 TYR 106 HD2 TYR 106 0.971 -3.481 5.934 871 HE1 TYR 106 HE1 TYR 106 0.657 -8.320 6.761 872 HE2 TYR 106 HE2 TYR 106 2.520 -5.018 4.801 873 HH TYR 106 HH TYR 106 3.439 -7.280 5.130 874 H THR 107 H THR 107 1.427 -3.273 10.664 875 HA THR 107 HA THR 107 2.838 -1.229 9.150 876 HB THR 107 HB THR 107 3.596 -2.457 11.809 877 HG1 THR 107 HG1 THR 107 2.603 -0.479 12.628 878 1HG2 THR 107 1HG2 THR 107 5.408 -1.271 10.635 879 2HG2 THR 107 3HG2 THR 107 4.387 0.164 10.534 880 3HG2 THR 107 2HG2 THR 107 4.915 -0.433 12.106 881 H LEU 108 H LEU 108 4.692 -1.552 8.034 882 HA LEU 108 HA LEU 108 5.841 -4.266 8.143 883 1HB LEU 108 HB2 LEU 108 4.639 -3.758 6.027 884 2HB LEU 108 HB3 LEU 108 5.754 -2.448 5.742 885 HG LEU 108 HG LEU 108 7.618 -4.065 5.647 886 1HD1 LEU 108 2HD1 LEU 108 6.656 -5.799 7.068 887 2HD1 LEU 108 1HD1 LEU 108 5.432 -6.131 5.842 888 3HD1 LEU 108 3HD1 LEU 108 7.132 -6.449 5.498 889 1HD2 LEU 108 2HD2 LEU 108 6.475 -3.334 3.607 890 2HD2 LEU 108 1HD2 LEU 108 7.058 -4.993 3.474 891 3HD2 LEU 108 3HD2 LEU 108 5.347 -4.682 3.763 892 H HIS 109 H HIS 109 7.279 -3.503 9.788 893 HA HIS 109 HA HIS 109 9.106 -1.382 9.353 894 1HB HIS 109 HB2 HIS 109 8.930 -3.635 11.285 895 2HB HIS 109 HB3 HIS 109 10.437 -2.755 11.152 896 HD1 HIS 109 HD1 HIS 109 10.554 -0.510 12.306 897 HD2 HIS 109 HD2 HIS 109 6.708 -2.088 12.198 898 HE1 HIS 109 HE1 HIS 109 9.179 0.974 13.799 899 HE2 HIS 109 HE2 HIS 109 6.876 -0.047 13.784 900 H LEU 110 H LEU 110 11.245 -1.424 8.717 901 HA LEU 110 HA LEU 110 12.292 -3.875 7.552 902 1HB LEU 110 HB2 LEU 110 11.876 -1.314 6.019 903 2HB LEU 110 HB3 LEU 110 12.888 -2.629 5.457 904 HG LEU 110 HG LEU 110 9.914 -2.814 5.974 905 1HD1 LEU 110 3HD1 LEU 110 10.424 -1.408 4.049 906 2HD1 LEU 110 2HD1 LEU 110 11.448 -2.680 3.382 907 3HD1 LEU 110 1HD1 LEU 110 9.711 -2.940 3.544 908 1HD2 LEU 110 3HD2 LEU 110 11.098 -4.929 6.335 909 2HD2 LEU 110 2HD2 LEU 110 10.065 -4.991 4.907 910 3HD2 LEU 110 1HD2 LEU 110 11.808 -4.799 4.726 911 H ASN 111 H ASN 111 14.157 -4.057 8.631 912 HA ASN 111 HA ASN 111 15.723 -1.726 9.326 913 1HB ASN 111 HB2 ASN 111 15.530 -3.708 10.841 914 2HB ASN 111 HB3 ASN 111 16.419 -4.656 9.653 915 1HD2 ASN 111 1HD2 ASN 111 18.078 -5.076 11.101 916 2HD2 ASN 111 2HD2 ASN 111 19.229 -3.872 11.557 917 H VAL 112 H VAL 112 15.440 -1.658 6.723 918 HA VAL 112 HA VAL 112 16.870 -2.971 4.885 919 HB VAL 112 HB VAL 112 17.154 0.013 4.898 920 1HG1 VAL 112 3HG1 VAL 112 18.041 -1.310 3.026 921 2HG1 VAL 112 2HG1 VAL 112 16.424 -1.951 2.734 922 3HG1 VAL 112 1HG1 VAL 112 16.739 -0.229 2.525 923 1HG2 VAL 112 2HG2 VAL 112 14.583 -1.513 4.538 924 2HG2 VAL 112 1HG2 VAL 112 14.925 -0.239 5.707 925 3HG2 VAL 112 3HG2 VAL 112 14.825 0.143 3.989 926 H LYS 113 H LYS 113 18.868 -3.777 4.957 927 HA LYS 113 HA LYS 113 20.947 -2.788 6.581 928 1HB LYS 113 HB2 LYS 113 20.927 -4.701 4.252 929 2HB LYS 113 HB3 LYS 113 22.387 -4.322 5.153 930 1HG LYS 113 HG2 LYS 113 19.894 -5.432 6.414 931 2HG LYS 113 HG3 LYS 113 21.238 -6.423 5.843 932 1HD LYS 113 HD2 LYS 113 22.744 -5.132 7.354 933 2HD LYS 113 HD3 LYS 113 21.318 -4.316 7.999 934 1HE LYS 113 HE2 LYS 113 21.973 -6.153 9.444 935 2HE LYS 113 HE3 LYS 113 20.407 -6.475 8.704 936 1HZ LYS 113 HZ1 LYS 113 21.501 -7.898 7.088 937 2HZ LYS 113 HZ3 LYS 113 23.005 -7.591 7.800 938 3HZ LYS 113 HZ2 LYS 113 21.817 -8.430 8.662 No H/Q in entry = 938 Start of MODEL 10 1 H1 GLY -2 HT3 GLY -2 -15.253 -18.199 -0.980 2 H2 GLY -2 HT2 GLY -2 -14.265 -19.488 -0.507 3 H3 GLY -2 HT1 GLY -2 -15.944 -19.610 -0.351 4 1HA GLY -2 HA2 GLY -2 -14.192 -17.735 1.142 5 2HA GLY -2 HA3 GLY -2 -14.910 -19.200 1.794 6 H SER -1 H SER -1 -15.176 -16.220 2.380 7 HA SER -1 HA SER -1 -18.028 -15.820 1.908 8 1HB SER -1 HB2 SER -1 -16.814 -15.891 4.682 9 2HB SER -1 HB3 SER -1 -18.465 -15.399 4.304 10 HG SER -1 HG SER -1 -18.938 -17.432 4.444 11 H HIS 0 H HIS 0 -18.722 -13.641 2.862 12 HA HIS 0 HA HIS 0 -16.692 -11.684 2.107 13 1HB HIS 0 HB2 HIS 0 -19.658 -11.350 2.605 14 2HB HIS 0 HB3 HIS 0 -18.574 -10.085 2.036 15 HD1 HIS 0 HD1 HIS 0 -20.671 -12.846 0.873 16 HD2 HIS 0 HD2 HIS 0 -17.520 -10.587 -0.621 17 HE1 HIS 0 HE1 HIS 0 -20.676 -13.247 -1.610 18 HE2 HIS 0 HE2 HIS 0 -18.706 -11.938 -2.481 19 H MET 1 H MET 1 -17.912 -13.082 4.889 20 HA MET 1 HA MET 1 -17.561 -10.712 6.554 21 1HB MET 1 HB2 MET 1 -18.391 -13.528 7.282 22 2HB MET 1 HB3 MET 1 -18.343 -12.165 8.392 23 1HG MET 1 HG2 MET 1 -20.045 -11.022 7.069 24 2HG MET 1 HG3 MET 1 -20.092 -12.386 5.953 25 1HE MET 1 HE1 MET 1 -19.801 -14.855 7.939 26 2HE MET 1 HE3 MET 1 -21.495 -15.246 8.236 27 3HE MET 1 HE2 MET 1 -20.961 -14.810 6.612 28 H ILE 2 H ILE 2 -15.723 -13.242 5.348 29 HA ILE 2 HA ILE 2 -13.537 -13.806 5.640 30 HB ILE 2 HB ILE 2 -13.484 -11.810 7.906 31 1HG1 ILE 2 2HG1 ILE 2 -12.608 -11.479 5.026 32 2HG1 ILE 2 3HG1 ILE 2 -14.098 -10.825 5.701 33 1HG2 ILE 2 1HG2 ILE 2 -11.685 -13.442 8.035 34 2HG2 ILE 2 3HG2 ILE 2 -11.249 -13.116 6.358 35 3HG2 ILE 2 2HG2 ILE 2 -11.055 -11.859 7.580 36 1HD1 ILE 2 2HD1 ILE 2 -12.788 -9.452 7.241 37 2HD1 ILE 2 1HD1 ILE 2 -11.303 -10.097 6.542 38 3HD1 ILE 2 3HD1 ILE 2 -12.390 -9.119 5.556 39 H ALA 3 H ALA 3 -15.533 -13.578 8.533 40 HA ALA 3 HA ALA 3 -15.805 -14.947 10.326 41 1HB ALA 3 HB3 ALA 3 -16.351 -16.571 8.580 42 2HB ALA 3 HB2 ALA 3 -14.652 -17.031 8.476 43 3HB ALA 3 HB1 ALA 3 -15.559 -17.341 9.956 44 HA PRO 4 HA PRO 4 -11.520 -14.181 11.833 45 1HB PRO 4 HB2 PRO 4 -13.099 -14.299 14.358 46 2HB PRO 4 HB3 PRO 4 -11.868 -13.136 13.853 47 1HG PRO 4 HG2 PRO 4 -14.446 -12.482 13.813 48 2HG PRO 4 HG3 PRO 4 -13.354 -11.947 12.522 49 1HD PRO 4 HD2 PRO 4 -15.396 -14.127 12.499 50 2HD PRO 4 HD3 PRO 4 -14.932 -13.000 11.208 51 H LEU 5 H LEU 5 -10.383 -16.025 11.693 52 HA LEU 5 HA LEU 5 -10.905 -18.109 13.682 53 1HB LEU 5 HB2 LEU 5 -11.972 -18.863 11.612 54 2HB LEU 5 HB3 LEU 5 -10.471 -18.624 10.738 55 HG LEU 5 HG LEU 5 -9.423 -20.383 12.170 56 1HD1 LEU 5 2HD1 LEU 5 -10.919 -20.211 14.088 57 2HD1 LEU 5 1HD1 LEU 5 -12.254 -20.816 13.109 58 3HD1 LEU 5 3HD1 LEU 5 -10.876 -21.858 13.460 59 1HD2 LEU 5 1HD2 LEU 5 -11.865 -21.219 10.612 60 2HD2 LEU 5 3HD2 LEU 5 -10.262 -20.908 9.947 61 3HD2 LEU 5 2HD2 LEU 5 -10.512 -22.262 11.048 62 H SER 6 H SER 6 -8.713 -16.980 11.123 63 HA SER 6 HA SER 6 -6.437 -18.132 12.541 64 1HB SER 6 HB2 SER 6 -6.549 -18.481 10.118 65 2HB SER 6 HB3 SER 6 -6.588 -16.737 9.857 66 HG SER 6 HG SER 6 -4.466 -18.372 10.679 67 H VAL 7 H VAL 7 -4.450 -16.773 12.738 68 HA VAL 7 HA VAL 7 -4.998 -14.461 14.259 69 HB VAL 7 HB VAL 7 -3.008 -15.843 14.643 70 1HG1 VAL 7 3HG1 VAL 7 -2.476 -16.405 12.338 71 2HG1 VAL 7 2HG1 VAL 7 -2.038 -14.727 12.014 72 3HG1 VAL 7 1HG1 VAL 7 -1.078 -15.687 13.139 73 1HG2 VAL 7 3HG2 VAL 7 -3.005 -13.543 15.438 74 2HG2 VAL 7 2HG2 VAL 7 -1.385 -14.031 14.941 75 3HG2 VAL 7 1HG2 VAL 7 -2.354 -12.995 13.894 76 H LYS 8 H LYS 8 -4.547 -12.274 13.841 77 HA LYS 8 HA LYS 8 -4.711 -11.554 11.011 78 1HB LYS 8 HB2 LYS 8 -5.451 -10.185 13.568 79 2HB LYS 8 HB3 LYS 8 -5.158 -9.243 12.121 80 1HG LYS 8 HG2 LYS 8 -7.532 -9.712 12.421 81 2HG LYS 8 HG3 LYS 8 -6.910 -10.458 10.947 82 1HD LYS 8 HD2 LYS 8 -6.697 -12.600 12.148 83 2HD LYS 8 HD3 LYS 8 -7.390 -11.843 13.585 84 1HE LYS 8 HE2 LYS 8 -8.751 -12.144 10.910 85 2HE LYS 8 HE3 LYS 8 -9.076 -13.108 12.350 86 1HZ LYS 8 HZ1 LYS 8 -9.488 -10.177 12.107 87 2HZ LYS 8 HZ3 LYS 8 -10.707 -11.351 12.075 88 3HZ LYS 8 HZ2 LYS 8 -9.805 -11.106 13.485 89 H ASP 9 H ASP 9 -2.275 -12.432 12.137 90 HA ASP 9 HA ASP 9 -0.393 -10.791 13.064 91 1HB ASP 9 HB2 ASP 9 0.024 -13.091 12.199 92 2HB ASP 9 HB3 ASP 9 0.027 -12.438 10.564 93 H ASN 10 H ASN 10 0.241 -8.789 12.677 94 HA ASN 10 HA ASN 10 0.017 -7.739 9.945 95 1HB ASN 10 HB2 ASN 10 -0.179 -5.488 11.332 96 2HB ASN 10 HB3 ASN 10 -1.588 -6.474 10.956 97 1HD2 ASN 10 1HD2 ASN 10 -0.665 -4.606 13.208 98 2HD2 ASN 10 2HD2 ASN 10 -1.085 -5.468 14.644 99 H ASP 11 H ASP 11 1.304 -6.112 12.731 100 HA ASP 11 HA ASP 11 3.488 -4.980 11.623 101 1HB ASP 11 HB2 ASP 11 3.525 -6.068 14.431 102 2HB ASP 11 HB3 ASP 11 4.331 -4.633 13.812 103 H LYS 12 H LYS 12 4.709 -6.144 10.245 104 HA LYS 12 HA LYS 12 6.032 -8.560 11.232 105 1HB LYS 12 HB2 LYS 12 5.034 -8.961 9.128 106 2HB LYS 12 HB3 LYS 12 5.594 -7.427 8.477 107 1HG LYS 12 HG2 LYS 12 7.840 -8.210 8.381 108 2HG LYS 12 HG3 LYS 12 7.417 -9.694 9.238 109 1HD LYS 12 HD2 LYS 12 6.085 -10.452 7.392 110 2HD LYS 12 HD3 LYS 12 6.273 -8.906 6.562 111 1HE LYS 12 HE2 LYS 12 8.669 -9.301 6.349 112 2HE LYS 12 HE3 LYS 12 8.500 -10.835 7.202 113 1HZ LYS 12 HZ2 LYS 12 7.078 -11.627 5.412 114 2HZ LYS 12 HZ1 LYS 12 7.253 -10.158 4.592 115 3HZ LYS 12 HZ3 LYS 12 8.593 -11.167 4.817 116 H TRP 13 H TRP 13 7.636 -7.770 12.509 117 HA TRP 13 HA TRP 13 9.380 -5.655 11.627 118 1HB TRP 13 HB2 TRP 13 9.821 -7.344 14.068 119 2HB TRP 13 HB3 TRP 13 10.187 -5.644 13.811 120 HD1 TRP 13 HD1 TRP 13 7.120 -7.933 14.343 121 HE1 TRP 13 HE1 TRP 13 5.237 -6.540 15.403 122 HE3 TRP 13 HE3 TRP 13 9.387 -3.347 14.328 123 HZ2 TRP 13 HZ2 TRP 13 4.754 -3.853 16.126 124 HZ3 TRP 13 HZ3 TRP 13 8.150 -1.422 15.233 125 HH2 TRP 13 HH2 TRP 13 5.889 -1.672 16.118 126 H VAL 14 H VAL 14 10.760 -6.207 10.017 127 HA VAL 14 HA VAL 14 12.685 -8.336 10.612 128 HB VAL 14 HB VAL 14 12.480 -9.338 8.362 129 1HG1 VAL 14 1HG1 VAL 14 11.414 -10.397 10.290 130 2HG1 VAL 14 3HG1 VAL 14 9.948 -9.460 9.996 131 3HG1 VAL 14 2HG1 VAL 14 10.482 -10.658 8.816 132 1HG2 VAL 14 3HG2 VAL 14 11.417 -7.413 7.262 133 2HG2 VAL 14 2HG2 VAL 14 10.534 -8.914 6.992 134 3HG2 VAL 14 1HG2 VAL 14 9.935 -7.737 8.161 135 H ASP 15 H ASP 15 14.059 -8.513 8.356 136 HA ASP 15 HA ASP 15 15.083 -5.787 7.938 137 1HB ASP 15 HB2 ASP 15 16.345 -8.465 8.214 138 2HB ASP 15 HB3 ASP 15 17.127 -7.313 7.134 139 H THR 16 H THR 16 16.467 -5.806 5.739 140 HA THR 16 HA THR 16 15.554 -7.357 3.573 141 HB THR 16 HB THR 16 13.480 -5.938 4.159 142 HG1 THR 16 HG1 THR 16 13.432 -5.425 1.670 143 1HG2 THR 16 1HG2 THR 16 14.706 -3.801 4.395 144 2HG2 THR 16 3HG2 THR 16 15.072 -3.854 2.671 145 3HG2 THR 16 2HG2 THR 16 13.400 -3.715 3.214 146 H HIS 17 H HIS 17 15.803 -5.801 1.425 147 HA HIS 17 HA HIS 17 18.381 -4.411 1.750 148 1HB HIS 17 HB2 HIS 17 17.500 -6.086 -0.612 149 2HB HIS 17 HB3 HIS 17 19.030 -5.228 -0.467 150 HD1 HIS 17 HD1 HIS 17 17.308 -8.347 0.530 151 HD2 HIS 17 HD2 HIS 17 20.873 -6.384 1.364 152 HE1 HIS 17 HE1 HIS 17 18.760 -10.049 1.678 153 HE2 HIS 17 HE2 HIS 17 20.944 -8.864 2.093 154 H VAL 18 H VAL 18 18.762 -3.129 -0.498 155 HA VAL 18 HA VAL 18 16.794 -1.082 -0.471 156 HB VAL 18 HB VAL 18 19.136 -0.567 -0.900 157 1HG1 VAL 18 2HG1 VAL 18 19.754 -2.564 -2.146 158 2HG1 VAL 18 1HG1 VAL 18 18.746 -2.048 -3.499 159 3HG1 VAL 18 3HG1 VAL 18 20.173 -1.110 -3.053 160 1HG2 VAL 18 3HG2 VAL 18 17.422 0.970 -1.720 161 2HG2 VAL 18 2HG2 VAL 18 18.830 0.961 -2.782 162 3HG2 VAL 18 1HG2 VAL 18 17.366 0.097 -3.252 163 H GLY 19 H GLY 19 15.169 -0.607 -1.787 164 1HA GLY 19 HA3 GLY 19 14.800 -1.396 -4.437 165 2HA GLY 19 HA2 GLY 19 13.537 -0.843 -3.360 166 H LYS 20 H LYS 20 14.433 -3.321 -1.628 167 HA LYS 20 HA LYS 20 13.765 -5.621 -3.052 168 1HB LYS 20 HB2 LYS 20 14.612 -5.183 -0.553 169 2HB LYS 20 HB3 LYS 20 12.914 -5.437 -0.211 170 1HG LYS 20 HG2 LYS 20 13.879 -7.537 0.027 171 2HG LYS 20 HG3 LYS 20 13.133 -7.576 -1.575 172 1HD LYS 20 HD2 LYS 20 15.189 -7.288 -2.657 173 2HD LYS 20 HD3 LYS 20 15.970 -6.746 -1.174 174 1HE LYS 20 HE2 LYS 20 15.765 -8.999 -0.240 175 2HE LYS 20 HE3 LYS 20 14.959 -9.539 -1.713 176 1HZ LYS 20 HZ3 LYS 20 17.744 -8.518 -1.544 177 2HZ LYS 20 HZ2 LYS 20 17.297 -10.141 -1.710 178 3HZ LYS 20 HZ1 LYS 20 16.970 -9.044 -2.955 179 H THR 21 H THR 21 12.034 -5.060 -4.421 180 HA THR 21 HA THR 21 9.595 -3.971 -3.651 181 HB THR 21 HB THR 21 9.801 -6.039 -5.826 182 HG1 THR 21 HG1 THR 21 10.902 -4.652 -7.053 183 1HG2 THR 21 2HG2 THR 21 7.588 -5.109 -5.340 184 2HG2 THR 21 1HG2 THR 21 8.220 -3.477 -5.554 185 3HG2 THR 21 3HG2 THR 21 8.160 -4.587 -6.924 186 H THR 22 H THR 22 8.535 -4.748 -1.930 187 HA THR 22 HA THR 22 8.040 -7.637 -1.767 188 HB THR 22 HB THR 22 7.695 -5.469 0.317 189 HG1 THR 22 HG1 THR 22 9.354 -7.127 1.252 190 1HG2 THR 22 3HG2 THR 22 5.999 -7.213 0.599 191 2HG2 THR 22 2HG2 THR 22 7.257 -8.449 0.561 192 3HG2 THR 22 1HG2 THR 22 7.203 -7.287 1.887 193 H GLU 23 H GLU 23 6.346 -8.081 -3.021 194 HA GLU 23 HA GLU 23 4.037 -6.388 -3.157 195 1HB GLU 23 HB2 GLU 23 4.911 -7.698 -5.084 196 2HB GLU 23 HB3 GLU 23 4.457 -9.172 -4.239 197 1HG GLU 23 HG2 GLU 23 2.156 -8.651 -4.368 198 2HG GLU 23 HG3 GLU 23 2.496 -7.003 -4.898 199 H ILE 24 H ILE 24 2.153 -6.625 -2.112 200 HA ILE 24 HA ILE 24 1.728 -9.059 -0.534 201 HB ILE 24 HB ILE 24 1.270 -6.280 0.515 202 1HG1 ILE 24 2HG1 ILE 24 3.434 -8.282 1.181 203 2HG1 ILE 24 3HG1 ILE 24 3.664 -6.766 0.318 204 1HG2 ILE 24 2HG2 ILE 24 -0.279 -7.972 1.375 205 2HG2 ILE 24 1HG2 ILE 24 1.089 -8.966 1.876 206 3HG2 ILE 24 3HG2 ILE 24 0.814 -7.396 2.634 207 1HD1 ILE 24 3HD1 ILE 24 2.919 -5.559 2.342 208 2HD1 ILE 24 2HD1 ILE 24 2.859 -7.104 3.191 209 3HD1 ILE 24 1HD1 ILE 24 4.393 -6.497 2.572 210 H HIS 25 H HIS 25 0.021 -9.883 -1.556 211 HA HIS 25 HA HIS 25 -2.171 -8.213 -2.434 212 1HB HIS 25 HB2 HIS 25 -2.210 -11.214 -2.407 213 2HB HIS 25 HB3 HIS 25 -3.012 -10.114 -3.509 214 HD1 HIS 25 HD1 HIS 25 -0.304 -12.376 -3.458 215 HD2 HIS 25 HD2 HIS 25 -0.898 -8.607 -5.097 216 HE1 HIS 25 HE1 HIS 25 1.424 -12.152 -5.269 217 HE2 HIS 25 HE2 HIS 25 0.949 -9.923 -6.339 218 H LEU 26 H LEU 26 -3.236 -7.417 -0.690 219 HA LEU 26 HA LEU 26 -3.966 -9.187 1.508 220 1HB LEU 26 HB2 LEU 26 -4.587 -6.265 1.141 221 2HB LEU 26 HB3 LEU 26 -4.758 -7.188 2.618 222 HG LEU 26 HG LEU 26 -2.080 -6.798 1.301 223 1HD1 LEU 26 2HD1 LEU 26 -3.017 -4.587 1.717 224 2HD1 LEU 26 1HD1 LEU 26 -3.375 -5.042 3.383 225 3HD1 LEU 26 3HD1 LEU 26 -1.702 -4.935 2.838 226 1HD2 LEU 26 3HD2 LEU 26 -2.393 -8.584 3.019 227 2HD2 LEU 26 2HD2 LEU 26 -1.203 -7.358 3.452 228 3HD2 LEU 26 1HD2 LEU 26 -2.811 -7.321 4.178 229 H LYS 27 H LYS 27 -6.093 -9.659 2.065 230 HA LYS 27 HA LYS 27 -7.956 -9.491 -0.166 231 1HB LYS 27 HB2 LYS 27 -8.434 -10.925 2.433 232 2HB LYS 27 HB3 LYS 27 -9.216 -11.197 0.886 233 1HG LYS 27 HG2 LYS 27 -7.779 -12.975 0.972 234 2HG LYS 27 HG3 LYS 27 -6.809 -11.797 0.083 235 1HD LYS 27 HD2 LYS 27 -5.642 -11.192 2.133 236 2HD LYS 27 HD3 LYS 27 -6.639 -12.320 3.052 237 1HE LYS 27 HE2 LYS 27 -5.741 -14.179 1.740 238 2HE LYS 27 HE3 LYS 27 -4.745 -13.050 0.823 239 1HZ LYS 27 HZ3 LYS 27 -3.600 -12.460 2.871 240 2HZ LYS 27 HZ2 LYS 27 -4.551 -13.554 3.743 241 3HZ LYS 27 HZ1 LYS 27 -3.474 -14.120 2.568 242 H GLY 28 H GLY 28 -10.210 -8.965 0.242 243 1HA GLY 28 HA3 GLY 28 -10.374 -6.492 1.738 244 2HA GLY 28 HA2 GLY 28 -11.398 -7.779 2.346 245 H ASN 29 H ASN 29 -12.250 -5.246 1.264 246 HA ASN 29 HA ASN 29 -13.136 -5.507 -1.405 247 1HB ASN 29 HB2 ASN 29 -14.539 -7.282 -0.376 248 2HB ASN 29 HB3 ASN 29 -15.248 -6.068 0.685 249 1HD2 ASN 29 1HD2 ASN 29 -16.611 -4.491 -0.195 250 2HD2 ASN 29 2HD2 ASN 29 -17.362 -4.702 -1.737 251 HA PRO 30 HA PRO 30 -13.509 -1.157 -0.547 252 1HB PRO 30 HB2 PRO 30 -15.078 -1.082 -3.052 253 2HB PRO 30 HB3 PRO 30 -13.596 -0.221 -2.629 254 1HG PRO 30 HG2 PRO 30 -13.565 -2.250 -4.363 255 2HG PRO 30 HG3 PRO 30 -12.242 -2.011 -3.206 256 1HD PRO 30 HD2 PRO 30 -14.521 -3.952 -3.105 257 2HD PRO 30 HD3 PRO 30 -12.811 -4.201 -2.699 258 H THR 31 H THR 31 -16.411 -2.599 -2.055 259 HA THR 31 HA THR 31 -18.142 -0.819 -0.578 260 HB THR 31 HB THR 31 -19.979 -1.961 -1.761 261 HG1 THR 31 HG1 THR 31 -17.854 -3.579 -2.746 262 1HG2 THR 31 2HG2 THR 31 -18.852 -0.075 -2.834 263 2HG2 THR 31 1HG2 THR 31 -17.677 -1.176 -3.551 264 3HG2 THR 31 3HG2 THR 31 -19.372 -1.260 -4.031 265 H THR 32 H THR 32 -16.820 -2.195 1.305 266 HA THR 32 HA THR 32 -18.903 -3.961 2.384 267 HB THR 32 HB THR 32 -15.939 -4.530 2.360 268 HG1 THR 32 HG1 THR 32 -16.792 -6.545 1.469 269 1HG2 THR 32 2HG2 THR 32 -18.114 -5.896 3.949 270 2HG2 THR 32 1HG2 THR 32 -16.465 -6.492 3.764 271 3HG2 THR 32 3HG2 THR 32 -16.764 -4.970 4.602 272 H GLY 33 H GLY 33 -15.760 -2.579 3.393 273 1HA GLY 33 HA3 GLY 33 -15.920 -2.344 6.014 274 2HA GLY 33 HA2 GLY 33 -17.133 -1.161 5.552 275 H TYR 34 H TYR 34 -13.850 -1.726 6.108 276 HA TYR 34 HA TYR 34 -13.239 1.044 5.480 277 1HB TYR 34 HB2 TYR 34 -11.550 -1.069 6.830 278 2HB TYR 34 HB3 TYR 34 -11.139 0.635 6.696 279 HD1 TYR 34 HD1 TYR 34 -14.034 -1.425 7.890 280 HD2 TYR 34 HD2 TYR 34 -11.466 1.897 8.595 281 HE1 TYR 34 HE1 TYR 34 -15.190 -0.989 10.016 282 HE2 TYR 34 HE2 TYR 34 -12.619 2.341 10.720 283 HH TYR 34 HH TYR 34 -14.800 1.890 11.764 284 H MET 35 H MET 35 -10.535 0.923 4.985 285 HA MET 35 HA MET 35 -10.263 -0.615 2.512 286 1HB MET 35 HB2 MET 35 -10.706 1.420 1.545 287 2HB MET 35 HB3 MET 35 -10.104 2.323 2.925 288 1HG MET 35 HG2 MET 35 -7.837 1.956 2.263 289 2HG MET 35 HG3 MET 35 -8.345 0.860 0.993 290 1HE MET 35 HE1 MET 35 -6.676 2.294 -0.430 291 2HE MET 35 HE3 MET 35 -7.056 3.878 -1.105 292 3HE MET 35 HE2 MET 35 -6.456 3.744 0.548 293 H TRP 36 H TRP 36 -8.143 -1.144 1.959 294 HA TRP 36 HA TRP 36 -6.264 -1.006 4.200 295 1HB TRP 36 HB2 TRP 36 -6.783 -2.946 2.032 296 2HB TRP 36 HB3 TRP 36 -5.103 -2.724 2.491 297 HD1 TRP 36 HD1 TRP 36 -8.071 -4.687 3.396 298 HE1 TRP 36 HE1 TRP 36 -7.757 -5.830 5.681 299 HE3 TRP 36 HE3 TRP 36 -3.966 -2.124 5.021 300 HZ2 TRP 36 HZ2 TRP 36 -5.997 -5.664 7.884 301 HZ3 TRP 36 HZ3 TRP 36 -3.026 -2.673 7.223 302 HH2 TRP 36 HH2 TRP 36 -4.023 -4.406 8.626 303 H THR 37 H THR 37 -4.901 0.636 4.080 304 HA THR 37 HA THR 37 -3.333 1.035 1.674 305 HB THR 37 HB THR 37 -5.353 2.420 1.294 306 HG1 THR 37 HG1 THR 37 -4.099 4.441 1.028 307 1HG2 THR 37 2HG2 THR 37 -5.851 2.896 3.656 308 2HG2 THR 37 1HG2 THR 37 -4.412 3.911 3.754 309 3HG2 THR 37 3HG2 THR 37 -5.751 4.375 2.703 310 H ARG 38 H ARG 38 -2.014 3.354 2.250 311 HA ARG 38 HA ARG 38 -0.613 2.641 4.694 312 1HB ARG 38 HB2 ARG 38 0.044 4.205 2.266 313 2HB ARG 38 HB3 ARG 38 0.799 4.732 3.756 314 1HG ARG 38 HG2 ARG 38 1.857 2.660 4.073 315 2HG ARG 38 HG3 ARG 38 0.936 1.921 2.760 316 1HD ARG 38 HD2 ARG 38 3.331 2.628 2.275 317 2HD ARG 38 HD3 ARG 38 2.114 3.095 1.120 318 HE ARG 38 HE ARG 38 2.263 5.334 2.000 319 1HH1 ARG 38 1HH1 ARG 38 4.697 3.108 3.119 320 2HH1 ARG 38 2HH1 ARG 38 5.850 4.347 3.489 321 1HH2 ARG 38 1HH2 ARG 38 3.792 6.976 2.465 322 2HH2 ARG 38 2HH2 ARG 38 5.334 6.541 3.122 323 H VAL 39 H VAL 39 -0.075 4.184 6.330 324 HA VAL 39 HA VAL 39 -2.289 5.729 7.175 325 HB VAL 39 HB VAL 39 0.541 5.807 8.227 326 1HG1 VAL 39 2HG1 VAL 39 -2.067 6.638 9.495 327 2HG1 VAL 39 1HG1 VAL 39 -0.499 6.605 10.303 328 3HG1 VAL 39 3HG1 VAL 39 -0.776 7.713 8.960 329 1HG2 VAL 39 1HG2 VAL 39 -0.629 3.548 8.157 330 2HG2 VAL 39 3HG2 VAL 39 -0.017 4.086 9.721 331 3HG2 VAL 39 2HG2 VAL 39 -1.738 4.213 9.356 332 H GLY 40 H GLY 40 -2.775 7.828 6.964 333 1HA GLY 40 HA3 GLY 40 -0.785 9.828 6.412 334 2HA GLY 40 HA2 GLY 40 -2.517 10.087 6.546 335 H PHE 41 H PHE 41 -2.671 7.767 4.460 336 HA PHE 41 HA PHE 41 -2.433 9.564 2.155 337 1HB PHE 41 HB2 PHE 41 -1.547 6.674 2.159 338 2HB PHE 41 HB3 PHE 41 -1.488 7.781 0.792 339 HD1 PHE 41 HD1 PHE 41 0.300 6.420 3.482 340 HD2 PHE 41 HD2 PHE 41 -0.113 9.966 1.179 341 HE1 PHE 41 HE1 PHE 41 2.538 7.143 4.207 342 HE2 PHE 41 HE2 PHE 41 2.126 10.700 1.891 343 HZ PHE 41 HZ PHE 41 3.454 9.287 3.411 344 H VAL 42 H VAL 42 -4.285 7.538 3.995 345 HA VAL 42 HA VAL 42 -5.888 6.046 2.400 346 HB VAL 42 HB VAL 42 -6.298 6.148 4.769 347 1HG1 VAL 42 2HG1 VAL 42 -5.768 8.503 5.129 348 2HG1 VAL 42 1HG1 VAL 42 -7.264 8.970 4.321 349 3HG1 VAL 42 3HG1 VAL 42 -7.325 8.084 5.844 350 1HG2 VAL 42 1HG2 VAL 42 -8.685 7.124 3.206 351 2HG2 VAL 42 3HG2 VAL 42 -8.177 5.448 3.416 352 3HG2 VAL 42 2HG2 VAL 42 -8.754 6.376 4.801 353 H GLY 43 H GLY 43 -7.109 6.368 0.660 354 1HA GLY 43 HA3 GLY 43 -8.489 8.918 0.300 355 2HA GLY 43 HA2 GLY 43 -8.776 7.445 -0.613 356 H LYS 44 H LYS 44 -5.663 9.012 -0.033 357 HA LYS 44 HA LYS 44 -5.465 10.423 -2.435 358 1HB LYS 44 HB2 LYS 44 -3.273 9.206 -0.750 359 2HB LYS 44 HB3 LYS 44 -3.036 10.414 -1.998 360 1HG LYS 44 HG2 LYS 44 -4.440 11.981 -0.719 361 2HG LYS 44 HG3 LYS 44 -4.592 10.767 0.554 362 1HD LYS 44 HD2 LYS 44 -2.872 12.322 1.181 363 2HD LYS 44 HD3 LYS 44 -2.117 10.778 0.781 364 1HE LYS 44 HE2 LYS 44 -1.546 11.630 -1.439 365 2HE LYS 44 HE3 LYS 44 -2.306 13.172 -1.044 366 1HZ LYS 44 HZ1 LYS 44 -0.684 13.473 0.725 367 2HZ LYS 44 HZ3 LYS 44 0.047 11.998 0.337 368 3HZ LYS 44 HZ2 LYS 44 0.087 13.277 -0.768 369 H ASP 45 H ASP 45 -3.718 9.919 -4.106 370 HA ASP 45 HA ASP 45 -4.371 7.402 -5.327 371 1HB ASP 45 HB2 ASP 45 -2.783 9.817 -6.130 372 2HB ASP 45 HB3 ASP 45 -2.675 8.335 -7.066 373 H VAL 46 H VAL 46 -1.281 8.995 -4.577 374 HA VAL 46 HA VAL 46 -0.006 6.356 -4.408 375 HB VAL 46 HB VAL 46 0.995 8.078 -5.911 376 1HG1 VAL 46 3HG1 VAL 46 0.502 10.050 -4.560 377 2HG1 VAL 46 2HG1 VAL 46 1.636 9.492 -3.328 378 3HG1 VAL 46 1HG1 VAL 46 2.224 9.942 -4.930 379 1HG2 VAL 46 1HG2 VAL 46 2.345 6.249 -5.043 380 2HG2 VAL 46 3HG2 VAL 46 3.306 7.721 -5.171 381 3HG2 VAL 46 2HG2 VAL 46 2.714 7.188 -3.597 382 H LEU 47 H LEU 47 1.114 5.695 -2.620 383 HA LEU 47 HA LEU 47 0.505 7.147 -0.150 384 1HB LEU 47 HB2 LEU 47 1.600 4.374 -0.247 385 2HB LEU 47 HB3 LEU 47 0.610 5.122 0.985 386 HG LEU 47 HG LEU 47 -0.357 4.314 -1.760 387 1HD1 LEU 47 3HD1 LEU 47 -0.752 3.012 0.929 388 2HD1 LEU 47 2HD1 LEU 47 -1.595 2.559 -0.553 389 3HD1 LEU 47 1HD1 LEU 47 0.154 2.360 -0.436 390 1HD2 LEU 47 3HD2 LEU 47 -1.846 5.363 0.639 391 2HD2 LEU 47 2HD2 LEU 47 -1.598 6.202 -0.894 392 3HD2 LEU 47 1HD2 LEU 47 -2.590 4.744 -0.835 393 H SER 48 H SER 48 3.128 5.380 -1.732 394 HA SER 48 HA SER 48 5.222 5.852 -0.040 395 1HB SER 48 HB2 SER 48 6.655 5.454 -1.921 396 2HB SER 48 HB3 SER 48 5.216 4.466 -2.135 397 HG SER 48 HG SER 48 5.836 6.917 -3.412 398 H ASP 49 H ASP 49 7.219 7.260 -0.791 399 HA ASP 49 HA ASP 49 6.532 9.890 -1.752 400 1HB ASP 49 HB2 ASP 49 7.203 9.411 1.142 401 2HB ASP 49 HB3 ASP 49 7.519 10.962 0.367 402 H GLU 50 H GLU 50 9.101 9.286 0.543 403 HA GLU 50 HA GLU 50 11.056 9.313 -1.654 404 1HB GLU 50 HB2 GLU 50 12.488 10.744 -0.298 405 2HB GLU 50 HB3 GLU 50 10.922 11.503 -0.562 406 1HG GLU 50 HG2 GLU 50 10.205 10.849 1.661 407 2HG GLU 50 HG3 GLU 50 11.756 10.055 1.939 408 H ILE 51 H ILE 51 10.270 8.294 1.610 409 HA ILE 51 HA ILE 51 12.685 6.878 2.106 410 HB ILE 51 HB ILE 51 9.974 6.432 3.356 411 1HG1 ILE 51 2HG1 ILE 51 10.754 8.800 3.451 412 2HG1 ILE 51 3HG1 ILE 51 10.591 8.039 5.027 413 1HG2 ILE 51 2HG2 ILE 51 12.756 5.768 4.301 414 2HG2 ILE 51 1HG2 ILE 51 11.298 5.626 5.284 415 3HG2 ILE 51 3HG2 ILE 51 11.490 4.630 3.842 416 1HD1 ILE 51 3HD1 ILE 51 13.175 8.413 3.532 417 2HD1 ILE 51 2HD1 ILE 51 12.603 9.416 4.867 418 3HD1 ILE 51 1HD1 ILE 51 12.993 7.718 5.143 419 H LEU 52 H LEU 52 9.494 5.369 2.044 420 HA LEU 52 HA LEU 52 10.661 3.079 0.633 421 1HB LEU 52 HB2 LEU 52 8.412 3.453 2.531 422 2HB LEU 52 HB3 LEU 52 8.225 2.201 1.319 423 HG LEU 52 HG LEU 52 10.634 2.335 3.107 424 1HD1 LEU 52 2HD1 LEU 52 8.052 0.861 3.597 425 2HD1 LEU 52 1HD1 LEU 52 9.536 0.675 4.532 426 3HD1 LEU 52 3HD1 LEU 52 8.677 2.215 4.540 427 1HD2 LEU 52 2HD2 LEU 52 10.637 0.970 0.987 428 2HD2 LEU 52 1HD2 LEU 52 10.979 0.082 2.473 429 3HD2 LEU 52 3HD2 LEU 52 9.384 -0.024 1.728 430 H GLU 53 H GLU 53 10.373 3.009 -1.508 431 HA GLU 53 HA GLU 53 8.372 4.500 -2.869 432 1HB GLU 53 HB2 GLU 53 10.589 2.733 -3.575 433 2HB GLU 53 HB3 GLU 53 9.206 2.543 -4.641 434 1HG GLU 53 HG2 GLU 53 10.011 5.304 -4.055 435 2HG GLU 53 HG3 GLU 53 11.153 4.345 -4.993 436 H VAL 54 H VAL 54 6.690 3.557 -1.366 437 HA VAL 54 HA VAL 54 5.820 0.885 -1.738 438 HB VAL 54 HB VAL 54 4.163 3.175 -0.700 439 1HG1 VAL 54 2HG1 VAL 54 2.963 1.109 -1.228 440 2HG1 VAL 54 1HG1 VAL 54 4.057 0.209 -0.177 441 3HG1 VAL 54 3HG1 VAL 54 2.980 1.426 0.507 442 1HG2 VAL 54 1HG2 VAL 54 6.282 1.537 0.647 443 2HG2 VAL 54 3HG2 VAL 54 6.078 3.287 0.635 444 3HG2 VAL 54 2HG2 VAL 54 4.969 2.276 1.560 445 H VAL 55 H VAL 55 5.733 0.794 -4.067 446 HA VAL 55 HA VAL 55 3.768 2.332 -5.471 447 HB VAL 55 HB VAL 55 5.035 -0.248 -6.362 448 1HG1 VAL 55 2HG1 VAL 55 3.002 0.649 -7.553 449 2HG1 VAL 55 1HG1 VAL 55 3.993 2.026 -8.029 450 3HG1 VAL 55 3HG1 VAL 55 4.430 0.401 -8.561 451 1HG2 VAL 55 3HG2 VAL 55 6.785 1.340 -5.754 452 2HG2 VAL 55 2HG2 VAL 55 6.716 1.135 -7.504 453 3HG2 VAL 55 1HG2 VAL 55 6.026 2.576 -6.756 454 H CYS 56 H CYS 56 2.045 1.927 -4.053 455 HA CYS 56 HA CYS 56 0.917 -0.758 -3.998 456 1HB CYS 56 HB2 CYS 56 0.947 0.292 -1.858 457 2HB CYS 56 HB3 CYS 56 0.247 1.773 -2.500 458 HG CYS 56 HG CYS 56 -2.228 1.138 -2.184 459 H LYS 57 H LYS 57 -0.968 -1.323 -4.914 460 HA LYS 57 HA LYS 57 -2.456 0.733 -6.381 461 1HB LYS 57 HB2 LYS 57 -2.022 -2.028 -7.475 462 2HB LYS 57 HB3 LYS 57 -2.637 -0.614 -8.312 463 1HG LYS 57 HG2 LYS 57 -0.431 0.428 -8.188 464 2HG LYS 57 HG3 LYS 57 0.191 -0.997 -7.352 465 1HD LYS 57 HD2 LYS 57 -0.350 -2.377 -9.302 466 2HD LYS 57 HD3 LYS 57 -0.966 -0.949 -10.139 467 1HE LYS 57 HE2 LYS 57 1.297 -1.473 -10.868 468 2HE LYS 57 HE3 LYS 57 1.248 0.077 -10.027 469 1HZ LYS 57 HZ3 LYS 57 2.122 -2.503 -8.843 470 2HZ LYS 57 HZ2 LYS 57 3.144 -1.247 -9.334 471 3HZ LYS 57 HZ1 LYS 57 2.079 -1.014 -8.040 472 H TYR 58 H TYR 58 -4.308 0.816 -5.328 473 HA TYR 58 HA TYR 58 -5.425 -1.427 -3.964 474 1HB TYR 58 HB2 TYR 58 -5.800 0.913 -3.191 475 2HB TYR 58 HB3 TYR 58 -6.742 1.219 -4.649 476 HD1 TYR 58 HD1 TYR 58 -7.207 0.976 -1.371 477 HD2 TYR 58 HD2 TYR 58 -8.471 -1.105 -4.878 478 HE1 TYR 58 HE1 TYR 58 -9.248 0.214 -0.217 479 HE2 TYR 58 HE2 TYR 58 -10.478 -1.887 -3.727 480 HH TYR 58 HH TYR 58 -11.265 -2.233 -1.424 481 H THR 59 H THR 59 -6.198 -3.081 -5.064 482 HA THR 59 HA THR 59 -7.503 -2.660 -7.633 483 HB THR 59 HB THR 59 -7.569 -5.353 -7.232 484 HG1 THR 59 HG1 THR 59 -6.417 -5.565 -5.422 485 1HG2 THR 59 1HG2 THR 59 -6.680 -4.213 -9.204 486 2HG2 THR 59 3HG2 THR 59 -5.240 -3.758 -8.294 487 3HG2 THR 59 2HG2 THR 59 -5.565 -5.457 -8.638 488 HA PRO 60 HA PRO 60 -11.354 -3.169 -5.370 489 1HB PRO 60 HB2 PRO 60 -12.849 -1.640 -6.973 490 2HB PRO 60 HB3 PRO 60 -11.677 -0.946 -5.852 491 1HG PRO 60 HG2 PRO 60 -11.557 -1.188 -8.790 492 2HG PRO 60 HG3 PRO 60 -10.731 -0.045 -7.718 493 1HD PRO 60 HD2 PRO 60 -9.687 -2.446 -8.888 494 2HD PRO 60 HD3 PRO 60 -8.867 -1.292 -7.821 495 H THR 61 H THR 61 -11.928 -2.911 -8.811 496 HA THR 61 HA THR 61 -13.121 -5.594 -8.822 497 HB THR 61 HB THR 61 -14.369 -3.569 -10.592 498 HG1 THR 61 HG1 THR 61 -15.708 -3.390 -8.339 499 1HG2 THR 61 3HG2 THR 61 -15.390 -5.830 -8.874 500 2HG2 THR 61 2HG2 THR 61 -16.423 -4.787 -9.853 501 3HG2 THR 61 1HG2 THR 61 -15.217 -5.814 -10.629 502 HA PRO 62 HA PRO 62 -10.520 -6.390 -12.319 503 1HB PRO 62 HB2 PRO 62 -12.837 -7.915 -13.391 504 2HB PRO 62 HB3 PRO 62 -11.172 -8.440 -13.118 505 1HG PRO 62 HG2 PRO 62 -13.124 -9.220 -11.485 506 2HG PRO 62 HG3 PRO 62 -11.521 -8.803 -10.851 507 1HD PRO 62 HD2 PRO 62 -14.051 -7.210 -10.807 508 2HD PRO 62 HD3 PRO 62 -12.797 -7.371 -9.562 509 H SER 63 H SER 63 -10.116 -5.309 -14.147 510 HA SER 63 HA SER 63 -12.272 -3.737 -15.337 511 1HB SER 63 HB2 SER 63 -9.271 -3.593 -15.713 512 2HB SER 63 HB3 SER 63 -10.440 -2.507 -16.464 513 HG SER 63 HG SER 63 -10.866 -2.633 -13.815 514 H SER 64 H SER 64 -11.650 -3.345 -17.854 515 HA SER 64 HA SER 64 -12.074 -5.945 -19.071 516 1HB SER 64 HB2 SER 64 -13.492 -4.044 -19.735 517 2HB SER 64 HB3 SER 64 -12.065 -3.179 -20.309 518 HG SER 64 HG SER 64 -12.729 -4.131 -22.109 519 H THR 65 H THR 65 -9.396 -4.615 -18.073 520 HA THR 65 HA THR 65 -7.688 -4.356 -20.277 521 HB THR 65 HB THR 65 -5.839 -4.750 -18.692 522 HG1 THR 65 HG1 THR 65 -7.654 -6.156 -17.387 523 1HG2 THR 65 1HG2 THR 65 -6.864 -2.533 -18.801 524 2HG2 THR 65 3HG2 THR 65 -8.044 -3.010 -17.579 525 3HG2 THR 65 2HG2 THR 65 -6.334 -2.900 -17.158 526 HA PRO 66 HA PRO 66 -6.965 -8.522 -21.574 527 1HB PRO 66 HB2 PRO 66 -4.489 -8.382 -22.586 528 2HB PRO 66 HB3 PRO 66 -5.832 -7.505 -23.333 529 1HG PRO 66 HG2 PRO 66 -3.769 -6.500 -21.388 530 2HG PRO 66 HG3 PRO 66 -4.278 -5.778 -22.929 531 1HD PRO 66 HD2 PRO 66 -5.249 -4.939 -20.553 532 2HD PRO 66 HD3 PRO 66 -6.246 -4.953 -22.023 533 H MET 67 H MET 67 -5.909 -7.486 -18.811 534 HA MET 67 HA MET 67 -4.304 -9.884 -18.253 535 1HB MET 67 HB2 MET 67 -3.887 -7.131 -17.074 536 2HB MET 67 HB3 MET 67 -3.018 -8.582 -16.595 537 1HG MET 67 HG2 MET 67 -2.952 -7.300 -19.318 538 2HG MET 67 HG3 MET 67 -1.692 -7.198 -18.089 539 1HE MET 67 HE1 MET 67 0.113 -8.018 -19.860 540 2HE MET 67 HE3 MET 67 -0.062 -9.484 -20.824 541 3HE MET 67 HE2 MET 67 -1.145 -8.118 -21.093 542 H VAL 68 H VAL 68 -6.231 -10.913 -17.579 543 HA VAL 68 HA VAL 68 -8.011 -9.918 -15.660 544 HB VAL 68 HB VAL 68 -8.587 -11.831 -17.041 545 1HG1 VAL 68 3HG1 VAL 68 -6.394 -12.875 -17.194 546 2HG1 VAL 68 2HG1 VAL 68 -6.475 -13.324 -15.490 547 3HG1 VAL 68 1HG1 VAL 68 -7.600 -14.038 -16.645 548 1HG2 VAL 68 1HG2 VAL 68 -9.740 -11.580 -14.908 549 2HG2 VAL 68 3HG2 VAL 68 -9.555 -13.283 -15.327 550 3HG2 VAL 68 2HG2 VAL 68 -8.502 -12.554 -14.115 551 H GLY 69 H GLY 69 -8.042 -9.925 -13.482 552 1HA GLY 69 HA3 GLY 69 -5.761 -11.177 -12.085 553 2HA GLY 69 HA2 GLY 69 -7.348 -10.931 -11.370 554 H VAL 70 H VAL 70 -7.792 -8.283 -12.199 555 HA VAL 70 HA VAL 70 -5.959 -6.896 -10.395 556 HB VAL 70 HB VAL 70 -6.630 -5.845 -13.151 557 1HG1 VAL 70 1HG1 VAL 70 -6.502 -4.080 -11.463 558 2HG1 VAL 70 3HG1 VAL 70 -4.910 -4.660 -10.974 559 3HG1 VAL 70 2HG1 VAL 70 -5.147 -3.990 -12.588 560 1HG2 VAL 70 2HG2 VAL 70 -4.006 -6.813 -12.022 561 2HG2 VAL 70 1HG2 VAL 70 -4.971 -7.620 -13.258 562 3HG2 VAL 70 3HG2 VAL 70 -4.229 -6.057 -13.599 563 H GLY 71 H GLY 71 -7.798 -6.967 -8.980 564 1HA GLY 71 HA3 GLY 71 -10.157 -5.475 -9.797 565 2HA GLY 71 HA2 GLY 71 -9.182 -4.775 -8.516 566 H GLY 72 H GLY 72 -9.292 -5.594 -6.479 567 1HA GLY 72 HA3 GLY 72 -10.753 -8.070 -6.044 568 2HA GLY 72 HA2 GLY 72 -11.462 -6.611 -5.381 569 H ILE 73 H ILE 73 -8.257 -6.084 -5.181 570 HA ILE 73 HA ILE 73 -8.178 -6.811 -2.383 571 HB ILE 73 HB ILE 73 -5.884 -7.801 -2.652 572 1HG1 ILE 73 2HG1 ILE 73 -6.655 -8.411 -5.478 573 2HG1 ILE 73 3HG1 ILE 73 -5.737 -6.959 -5.081 574 1HG2 ILE 73 3HG2 ILE 73 -7.896 -9.131 -2.168 575 2HG2 ILE 73 2HG2 ILE 73 -8.074 -9.421 -3.899 576 3HG2 ILE 73 1HG2 ILE 73 -6.647 -10.018 -3.044 577 1HD1 ILE 73 2HD1 ILE 73 -4.022 -8.361 -4.025 578 2HD1 ILE 73 1HD1 ILE 73 -4.926 -9.797 -4.509 579 3HD1 ILE 73 3HD1 ILE 73 -4.243 -8.730 -5.738 580 H TYR 74 H TYR 74 -5.455 -6.397 -1.987 581 HA TYR 74 HA TYR 74 -4.957 -3.683 -2.984 582 1HB TYR 74 HB2 TYR 74 -4.233 -4.391 -0.168 583 2HB TYR 74 HB3 TYR 74 -4.618 -2.818 -0.861 584 HD1 TYR 74 HD1 TYR 74 -6.097 -5.996 0.339 585 HD2 TYR 74 HD2 TYR 74 -6.838 -1.972 -0.821 586 HE1 TYR 74 HE1 TYR 74 -8.377 -6.168 1.222 587 HE2 TYR 74 HE2 TYR 74 -9.125 -2.143 0.071 588 HH TYR 74 HH TYR 74 -10.786 -3.886 0.561 589 H VAL 75 H VAL 75 -3.246 -4.160 -4.313 590 HA VAL 75 HA VAL 75 -1.165 -5.952 -3.312 591 HB VAL 75 HB VAL 75 -1.800 -6.531 -5.515 592 1HG1 VAL 75 2HG1 VAL 75 -1.503 -3.614 -6.179 593 2HG1 VAL 75 1HG1 VAL 75 -1.658 -4.881 -7.394 594 3HG1 VAL 75 3HG1 VAL 75 -2.968 -4.597 -6.246 595 1HG2 VAL 75 2HG2 VAL 75 0.612 -6.570 -5.100 596 2HG2 VAL 75 1HG2 VAL 75 0.249 -6.233 -6.793 597 3HG2 VAL 75 3HG2 VAL 75 0.744 -4.925 -5.719 598 H VAL 76 H VAL 76 0.298 -5.014 -2.107 599 HA VAL 76 HA VAL 76 1.155 -2.270 -2.722 600 HB VAL 76 HB VAL 76 1.616 -3.868 -0.204 601 1HG1 VAL 76 3HG1 VAL 76 2.059 -0.960 -0.863 602 2HG1 VAL 76 2HG1 VAL 76 2.158 -1.647 0.758 603 3HG1 VAL 76 1HG1 VAL 76 3.290 -2.167 -0.491 604 1HG2 VAL 76 2HG2 VAL 76 -0.768 -3.426 -0.591 605 2HG2 VAL 76 1HG2 VAL 76 -0.147 -2.530 0.796 606 3HG2 VAL 76 3HG2 VAL 76 -0.417 -1.705 -0.738 607 H LEU 77 H LEU 77 3.097 -1.895 -3.574 608 HA LEU 77 HA LEU 77 5.162 -3.989 -3.390 609 1HB LEU 77 HB2 LEU 77 4.742 -1.808 -5.431 610 2HB LEU 77 HB3 LEU 77 6.198 -2.777 -5.349 611 HG LEU 77 HG LEU 77 3.409 -3.827 -5.865 612 1HD1 LEU 77 3HD1 LEU 77 5.760 -3.479 -7.720 613 2HD1 LEU 77 2HD1 LEU 77 4.231 -4.258 -8.128 614 3HD1 LEU 77 1HD1 LEU 77 4.268 -2.538 -7.742 615 1HD2 LEU 77 3HD2 LEU 77 5.174 -5.284 -4.646 616 2HD2 LEU 77 2HD2 LEU 77 4.293 -5.957 -6.021 617 3HD2 LEU 77 1HD2 LEU 77 5.941 -5.368 -6.233 618 H VAL 78 H VAL 78 6.271 -3.450 -1.563 619 HA VAL 78 HA VAL 78 6.951 -0.648 -1.118 620 HB VAL 78 HB VAL 78 8.114 -2.422 0.826 621 1HG1 VAL 78 2HG1 VAL 78 5.926 -0.335 0.983 622 2HG1 VAL 78 1HG1 VAL 78 6.760 -1.048 2.366 623 3HG1 VAL 78 3HG1 VAL 78 7.658 -0.062 1.213 624 1HG2 VAL 78 2HG2 VAL 78 5.149 -2.731 0.384 625 2HG2 VAL 78 1HG2 VAL 78 6.371 -3.987 0.186 626 3HG2 VAL 78 3HG2 VAL 78 6.045 -3.320 1.785 627 H LYS 79 H LYS 79 8.639 0.069 -2.210 628 HA LYS 79 HA LYS 79 11.029 -1.640 -2.430 629 1HB LYS 79 HB2 LYS 79 9.795 0.372 -4.255 630 2HB LYS 79 HB3 LYS 79 11.541 0.179 -4.287 631 1HG LYS 79 HG2 LYS 79 11.227 -2.233 -4.725 632 2HG LYS 79 HG3 LYS 79 9.477 -1.959 -4.809 633 1HD LYS 79 HD2 LYS 79 11.527 -0.612 -6.571 634 2HD LYS 79 HD3 LYS 79 10.572 -2.021 -7.033 635 1HE LYS 79 HE2 LYS 79 8.517 -0.728 -6.732 636 2HE LYS 79 HE3 LYS 79 9.470 0.681 -6.269 637 1HZ LYS 79 HZ1 LYS 79 10.480 0.674 -8.466 638 2HZ LYS 79 HZ3 LYS 79 9.559 -0.674 -8.910 639 3HZ LYS 79 HZ2 LYS 79 8.797 0.799 -8.581 640 HA PRO 80 HA PRO 80 12.385 1.449 0.689 641 1HB PRO 80 HB2 PRO 80 14.868 0.133 0.854 642 2HB PRO 80 HB3 PRO 80 13.504 -0.029 1.961 643 1HG PRO 80 HG2 PRO 80 14.338 -1.781 -0.286 644 2HG PRO 80 HG3 PRO 80 13.535 -2.206 1.237 645 1HD PRO 80 HD2 PRO 80 12.212 -2.157 -1.101 646 2HD PRO 80 HD3 PRO 80 11.438 -1.674 0.423 647 H ARG 81 H ARG 81 12.656 3.238 -0.543 648 HA ARG 81 HA ARG 81 14.451 3.499 -2.703 649 1HB ARG 81 HB2 ARG 81 12.551 5.123 -1.319 650 2HB ARG 81 HB3 ARG 81 14.044 6.035 -1.489 651 1HG ARG 81 HG2 ARG 81 13.999 5.755 -3.872 652 2HG ARG 81 HG3 ARG 81 12.612 4.668 -3.753 653 1HD ARG 81 HD2 ARG 81 11.249 6.476 -2.863 654 2HD ARG 81 HD3 ARG 81 12.633 7.570 -2.930 655 HE ARG 81 HE ARG 81 11.974 6.381 -5.464 656 1HH1 ARG 81 1HH1 ARG 81 11.320 9.014 -3.277 657 2HH1 ARG 81 2HH1 ARG 81 10.733 10.069 -4.519 658 1HH2 ARG 81 1HH2 ARG 81 11.202 7.762 -7.105 659 2HH2 ARG 81 2HH2 ARG 81 10.666 9.357 -6.695 660 H LYS 82 H LYS 82 14.787 3.904 0.741 661 HA LYS 82 HA LYS 82 17.607 4.670 0.354 662 1HB LYS 82 HB2 LYS 82 15.897 5.303 2.764 663 2HB LYS 82 HB3 LYS 82 17.516 5.899 2.425 664 1HG LYS 82 HG2 LYS 82 16.672 7.155 0.518 665 2HG LYS 82 HG3 LYS 82 15.048 6.534 0.821 666 1HD LYS 82 HD2 LYS 82 15.092 7.605 3.046 667 2HD LYS 82 HD3 LYS 82 16.671 8.291 2.657 668 1HE LYS 82 HE2 LYS 82 14.113 8.796 1.138 669 2HE LYS 82 HE3 LYS 82 14.857 9.903 2.292 670 1HZ LYS 82 HZ3 LYS 82 16.089 8.973 -0.245 671 2HZ LYS 82 HZ2 LYS 82 15.400 10.495 0.014 672 3HZ LYS 82 HZ1 LYS 82 16.794 10.044 0.859 673 H ARG 83 H ARG 83 18.860 4.127 2.521 674 HA ARG 83 HA ARG 83 18.141 1.368 3.267 675 1HB ARG 83 HB2 ARG 83 20.905 2.528 2.878 676 2HB ARG 83 HB3 ARG 83 20.560 0.900 3.442 677 1HG ARG 83 HG2 ARG 83 19.475 0.383 1.320 678 2HG ARG 83 HG3 ARG 83 19.804 2.022 0.753 679 1HD ARG 83 HD2 ARG 83 21.873 -0.031 1.524 680 2HD ARG 83 HD3 ARG 83 21.436 0.425 -0.121 681 HE ARG 83 HE ARG 83 22.187 2.742 1.237 682 1HH1 ARG 83 1HH1 ARG 83 23.618 -0.240 0.139 683 2HH1 ARG 83 2HH1 ARG 83 25.196 0.443 -0.064 684 1HH2 ARG 83 1HH2 ARG 83 24.262 3.648 0.974 685 2HH2 ARG 83 2HH2 ARG 83 25.563 2.653 0.412 686 H GLY 84 H GLY 84 17.849 1.008 5.360 687 1HA GLY 84 HA3 GLY 84 18.490 3.135 7.254 688 2HA GLY 84 HA2 GLY 84 19.239 1.571 7.542 689 H HIS 85 H HIS 85 16.538 3.493 8.105 690 HA HIS 85 HA HIS 85 15.055 1.162 9.128 691 1HB HIS 85 HB2 HIS 85 15.881 2.702 10.873 692 2HB HIS 85 HB3 HIS 85 14.976 4.012 10.124 693 HD1 HIS 85 HD1 HIS 85 12.566 4.259 10.773 694 HD2 HIS 85 HD2 HIS 85 14.202 0.655 12.036 695 HE1 HIS 85 HE1 HIS 85 10.829 3.217 12.264 696 HE2 HIS 85 HE2 HIS 85 11.877 1.079 13.086 697 H HIS 86 H HIS 86 13.377 0.674 7.935 698 HA HIS 86 HA HIS 86 11.645 2.824 6.933 699 1HB HIS 86 HB2 HIS 86 12.423 0.397 5.300 700 2HB HIS 86 HB3 HIS 86 11.383 1.722 4.790 701 HD1 HIS 86 HD1 HIS 86 14.899 1.687 6.264 702 HD2 HIS 86 HD2 HIS 86 12.780 3.179 3.018 703 HE1 HIS 86 HE1 HIS 86 16.552 3.050 4.950 704 HE2 HIS 86 HE2 HIS 86 15.277 3.834 2.925 705 H THR 87 H THR 87 9.438 2.143 6.519 706 HA THR 87 HA THR 87 8.608 -0.490 7.348 707 HB THR 87 HB THR 87 7.695 1.860 9.013 708 HG1 THR 87 HG1 THR 87 9.131 1.226 10.502 709 1HG2 THR 87 2HG2 THR 87 6.049 0.042 8.702 710 2HG2 THR 87 1HG2 THR 87 7.228 -1.106 9.339 711 3HG2 THR 87 3HG2 THR 87 6.599 0.179 10.372 712 H LEU 88 H LEU 88 6.462 -0.965 6.823 713 HA LEU 88 HA LEU 88 5.182 1.016 5.065 714 1HB LEU 88 HB2 LEU 88 5.797 -0.959 3.866 715 2HB LEU 88 HB3 LEU 88 5.092 -1.991 5.090 716 HG LEU 88 HG LEU 88 2.845 -1.034 4.475 717 1HD1 LEU 88 3HD1 LEU 88 3.623 1.013 3.412 718 2HD1 LEU 88 2HD1 LEU 88 4.405 0.068 2.145 719 3HD1 LEU 88 1HD1 LEU 88 2.648 0.055 2.299 720 1HD2 LEU 88 2HD2 LEU 88 3.586 -3.226 3.704 721 2HD2 LEU 88 1HD2 LEU 88 2.610 -2.414 2.482 722 3HD2 LEU 88 3HD2 LEU 88 4.362 -2.476 2.312 723 H GLU 89 H GLU 89 4.009 2.088 6.658 724 HA GLU 89 HA GLU 89 2.361 0.753 8.537 725 1HB GLU 89 HB2 GLU 89 2.532 3.596 7.575 726 2HB GLU 89 HB3 GLU 89 1.347 3.081 8.768 727 1HG GLU 89 HG2 GLU 89 3.068 2.380 10.255 728 2HG GLU 89 HG3 GLU 89 4.313 2.732 9.059 729 H LEU 90 H LEU 90 0.900 -0.622 7.611 730 HA LEU 90 HA LEU 90 -1.059 0.603 5.785 731 1HB LEU 90 HB2 LEU 90 -0.200 -2.264 6.108 732 2HB LEU 90 HB3 LEU 90 -1.669 -1.818 5.265 733 HG LEU 90 HG LEU 90 1.145 -1.053 4.485 734 1HD1 LEU 90 3HD1 LEU 90 -0.884 -2.909 3.258 735 2HD1 LEU 90 2HD1 LEU 90 0.613 -2.405 2.474 736 3HD1 LEU 90 1HD1 LEU 90 0.672 -3.346 3.963 737 1HD2 LEU 90 2HD2 LEU 90 -1.495 -0.326 3.224 738 2HD2 LEU 90 1HD2 LEU 90 -0.330 0.778 3.957 739 3HD2 LEU 90 3HD2 LEU 90 0.084 -0.083 2.473 740 H VAL 91 H VAL 91 -3.030 0.939 6.518 741 HA VAL 91 HA VAL 91 -3.942 -0.574 8.880 742 HB VAL 91 HB VAL 91 -5.330 1.788 9.033 743 1HG1 VAL 91 3HG1 VAL 91 -2.830 0.865 10.419 744 2HG1 VAL 91 2HG1 VAL 91 -3.706 2.315 10.907 745 3HG1 VAL 91 1HG1 VAL 91 -4.502 0.742 10.968 746 1HG2 VAL 91 2HG2 VAL 91 -3.923 2.803 7.297 747 2HG2 VAL 91 1HG2 VAL 91 -3.727 3.607 8.856 748 3HG2 VAL 91 3HG2 VAL 91 -2.490 2.485 8.282 749 H TYR 92 H TYR 92 -6.373 -0.282 9.174 750 HA TYR 92 HA TYR 92 -7.718 -0.576 6.570 751 1HB TYR 92 HB2 TYR 92 -7.611 -2.489 8.358 752 2HB TYR 92 HB3 TYR 92 -8.851 -1.550 9.180 753 HD1 TYR 92 HD1 TYR 92 -10.643 -3.077 9.020 754 HD2 TYR 92 HD2 TYR 92 -8.542 -1.924 5.503 755 HE1 TYR 92 HE1 TYR 92 -12.372 -4.152 7.640 756 HE2 TYR 92 HE2 TYR 92 -10.267 -2.994 4.115 757 HH TYR 92 HH TYR 92 -13.259 -4.001 5.353 758 H THR 93 H THR 93 -8.090 1.665 6.312 759 HA THR 93 HA THR 93 -9.924 2.888 8.278 760 HB THR 93 HB THR 93 -7.862 4.095 8.276 761 HG1 THR 93 HG1 THR 93 -10.117 5.196 7.775 762 1HG2 THR 93 2HG2 THR 93 -8.167 4.175 5.272 763 2HG2 THR 93 1HG2 THR 93 -6.966 5.095 6.184 764 3HG2 THR 93 3HG2 THR 93 -6.918 3.331 6.190 765 H ARG 94 H ARG 94 -11.492 4.398 7.485 766 HA ARG 94 HA ARG 94 -12.502 3.686 4.826 767 1HB ARG 94 HB2 ARG 94 -13.815 4.934 7.238 768 2HB ARG 94 HB3 ARG 94 -14.601 4.850 5.668 769 1HG ARG 94 HG2 ARG 94 -14.508 2.432 5.717 770 2HG ARG 94 HG3 ARG 94 -13.640 2.480 7.251 771 1HD ARG 94 HD2 ARG 94 -16.004 2.002 7.599 772 2HD ARG 94 HD3 ARG 94 -15.558 3.551 8.312 773 HE ARG 94 HE ARG 94 -16.522 3.966 5.702 774 1HH1 ARG 94 1HH1 ARG 94 -17.635 3.054 8.876 775 2HH1 ARG 94 2HH1 ARG 94 -19.232 3.678 8.637 776 1HH2 ARG 94 1HH2 ARG 94 -18.623 4.791 5.378 777 2HH2 ARG 94 2HH2 ARG 94 -19.794 4.665 6.648 778 HA PRO 95 HA PRO 95 -10.522 7.631 3.557 779 1HB PRO 95 HB2 PRO 95 -12.179 6.819 1.205 780 2HB PRO 95 HB3 PRO 95 -10.530 7.451 1.252 781 1HG PRO 95 HG2 PRO 95 -11.034 4.836 0.898 782 2HG PRO 95 HG3 PRO 95 -9.621 5.407 1.802 783 1HD PRO 95 HD2 PRO 95 -12.071 4.097 2.783 784 2HD PRO 95 HD3 PRO 95 -10.467 4.200 3.528 785 H PHE 96 H PHE 96 -13.905 6.679 3.088 786 HA PHE 96 HA PHE 96 -14.960 9.191 2.525 787 1HB PHE 96 HB2 PHE 96 -16.240 6.808 3.869 788 2HB PHE 96 HB3 PHE 96 -17.101 8.168 3.174 789 HD1 PHE 96 HD1 PHE 96 -14.973 5.275 2.393 790 HD2 PHE 96 HD2 PHE 96 -17.503 8.326 0.846 791 HE1 PHE 96 HE1 PHE 96 -14.993 4.144 0.208 792 HE2 PHE 96 HE2 PHE 96 -17.531 7.199 -1.342 793 HZ PHE 96 HZ PHE 96 -16.274 5.105 -1.663 794 H GLU 97 H GLU 97 -14.422 7.544 5.612 795 HA GLU 97 HA GLU 97 -15.401 9.920 7.029 796 1HB GLU 97 HB2 GLU 97 -14.764 7.162 8.092 797 2HB GLU 97 HB3 GLU 97 -15.430 8.491 9.029 798 1HG GLU 97 HG2 GLU 97 -16.765 7.136 6.696 799 2HG GLU 97 HG3 GLU 97 -17.147 6.887 8.400 800 H GLY 98 H GLY 98 -12.910 7.533 7.884 801 1HA GLY 98 HA3 GLY 98 -11.292 9.523 9.150 802 2HA GLY 98 HA2 GLY 98 -10.617 9.036 7.601 803 H ILE 99 H ILE 99 -9.062 8.609 9.658 804 HA ILE 99 HA ILE 99 -9.111 5.693 9.909 805 HB ILE 99 HB ILE 99 -6.795 7.464 10.613 806 1HG1 ILE 99 2HG1 ILE 99 -7.318 6.271 7.889 807 2HG1 ILE 99 3HG1 ILE 99 -7.656 7.954 8.285 808 1HG2 ILE 99 2HG2 ILE 99 -7.190 4.569 9.948 809 2HG2 ILE 99 1HG2 ILE 99 -5.608 5.331 9.777 810 3HG2 ILE 99 3HG2 ILE 99 -6.402 5.290 11.351 811 1HD1 ILE 99 3HD1 ILE 99 -5.264 8.248 8.829 812 2HD1 ILE 99 2HD1 ILE 99 -4.976 6.585 8.315 813 3HD1 ILE 99 1HD1 ILE 99 -5.544 7.783 7.151 814 H LYS 100 H LYS 100 -8.953 4.650 11.856 815 HA LYS 100 HA LYS 100 -8.990 6.282 14.298 816 1HB LYS 100 HB2 LYS 100 -10.787 3.916 14.199 817 2HB LYS 100 HB3 LYS 100 -10.971 5.429 15.073 818 1HG LYS 100 HG2 LYS 100 -11.559 6.564 12.988 819 2HG LYS 100 HG3 LYS 100 -11.404 5.034 12.121 820 1HD LYS 100 HD2 LYS 100 -13.463 4.422 12.706 821 2HD LYS 100 HD3 LYS 100 -13.124 4.732 14.411 822 1HE LYS 100 HE2 LYS 100 -13.594 7.113 14.058 823 2HE LYS 100 HE3 LYS 100 -13.964 6.784 12.365 824 1HZ LYS 100 HZ1 LYS 100 -15.428 5.675 14.700 825 2HZ LYS 100 HZ3 LYS 100 -15.972 6.925 13.697 826 3HZ LYS 100 HZ2 LYS 100 -15.784 5.363 13.076 827 HA PRO 101 HA PRO 101 -6.332 3.256 16.098 828 1HB PRO 101 HB2 PRO 101 -8.082 2.849 18.427 829 2HB PRO 101 HB3 PRO 101 -6.466 3.549 18.351 830 1HG PRO 101 HG2 PRO 101 -8.635 5.052 18.836 831 2HG PRO 101 HG3 PRO 101 -7.267 5.657 17.892 832 1HD PRO 101 HD2 PRO 101 -9.905 4.612 16.940 833 2HD PRO 101 HD3 PRO 101 -8.993 6.029 16.379 834 H GLU 102 H GLU 102 -9.746 2.380 16.357 835 HA GLU 102 HA GLU 102 -9.418 -0.368 16.772 836 1HB GLU 102 HB2 GLU 102 -11.748 -0.560 15.932 837 2HB GLU 102 HB3 GLU 102 -11.543 0.668 17.176 838 1HG GLU 102 HG2 GLU 102 -11.467 2.389 15.467 839 2HG GLU 102 HG3 GLU 102 -11.663 1.163 14.218 840 H ASN 103 H ASN 103 -8.868 1.522 14.002 841 HA ASN 103 HA ASN 103 -9.469 -0.230 11.918 842 1HB ASN 103 HB2 ASN 103 -7.285 1.842 12.156 843 2HB ASN 103 HB3 ASN 103 -7.687 1.012 10.657 844 1HD2 ASN 103 1HD2 ASN 103 -10.196 1.802 12.905 845 2HD2 ASN 103 2HD2 ASN 103 -10.891 3.092 11.993 846 H GLU 104 H GLU 104 -8.494 -1.987 11.063 847 HA GLU 104 HA GLU 104 -6.742 -3.532 12.535 848 1HB GLU 104 HB2 GLU 104 -7.974 -3.623 9.930 849 2HB GLU 104 HB3 GLU 104 -6.334 -4.235 9.862 850 1HG GLU 104 HG2 GLU 104 -7.623 -6.112 10.314 851 2HG GLU 104 HG3 GLU 104 -6.977 -5.651 11.885 852 H ARG 105 H ARG 105 -4.537 -4.162 12.020 853 HA ARG 105 HA ARG 105 -2.973 -1.896 10.971 854 1HB ARG 105 HB2 ARG 105 -2.803 -2.177 13.429 855 2HB ARG 105 HB3 ARG 105 -2.199 -3.804 13.182 856 1HG ARG 105 HG2 ARG 105 -0.161 -2.900 13.283 857 2HG ARG 105 HG3 ARG 105 -0.498 -2.294 11.655 858 1HD ARG 105 HD2 ARG 105 0.263 -0.497 13.104 859 2HD ARG 105 HD3 ARG 105 -1.404 -0.238 12.584 860 HE ARG 105 HE ARG 105 -1.527 -1.570 15.005 861 1HH1 ARG 105 1HH1 ARG 105 -0.326 1.476 13.811 862 2HH1 ARG 105 2HH1 ARG 105 -0.585 2.312 15.306 863 1HH2 ARG 105 1HH2 ARG 105 -1.871 -0.477 16.977 864 2HH2 ARG 105 2HH2 ARG 105 -1.463 1.201 17.106 865 H TYR 106 H TYR 106 -0.910 -2.416 10.061 866 HA TYR 106 HA TYR 106 0.011 -5.026 9.583 867 1HB TYR 106 HB2 TYR 106 -1.982 -5.009 8.053 868 2HB TYR 106 HB3 TYR 106 -1.210 -3.707 7.149 869 HD1 TYR 106 HD1 TYR 106 -1.050 -7.269 8.035 870 HD2 TYR 106 HD2 TYR 106 0.640 -4.162 5.677 871 HE1 TYR 106 HE1 TYR 106 0.156 -8.946 6.706 872 HE2 TYR 106 HE2 TYR 106 1.852 -5.828 4.340 873 HH TYR 106 HH TYR 106 1.166 -9.152 4.478 874 H THR 107 H THR 107 1.581 -3.522 10.585 875 HA THR 107 HA THR 107 2.875 -1.669 8.748 876 HB THR 107 HB THR 107 4.165 -2.076 11.343 877 HG1 THR 107 HG1 THR 107 2.458 -1.238 12.561 878 1HG2 THR 107 2HG2 THR 107 4.421 -0.166 9.659 879 2HG2 THR 107 1HG2 THR 107 2.874 0.417 10.268 880 3HG2 THR 107 3HG2 THR 107 4.253 0.275 11.358 881 H LEU 108 H LEU 108 4.000 -2.866 7.266 882 HA LEU 108 HA LEU 108 5.615 -5.108 8.063 883 1HB LEU 108 HB2 LEU 108 4.656 -5.243 5.900 884 2HB LEU 108 HB3 LEU 108 5.242 -3.657 5.457 885 HG LEU 108 HG LEU 108 7.523 -4.474 5.349 886 1HD1 LEU 108 3HD1 LEU 108 6.380 -7.135 6.183 887 2HD1 LEU 108 2HD1 LEU 108 8.042 -6.840 5.674 888 3HD1 LEU 108 1HD1 LEU 108 7.430 -6.102 7.154 889 1HD2 LEU 108 2HD2 LEU 108 6.054 -4.714 3.378 890 2HD2 LEU 108 1HD2 LEU 108 7.334 -5.926 3.443 891 3HD2 LEU 108 3HD2 LEU 108 5.685 -6.361 3.892 892 H HIS 109 H HIS 109 7.147 -4.394 9.491 893 HA HIS 109 HA HIS 109 8.812 -2.130 8.921 894 1HB HIS 109 HB2 HIS 109 8.758 -4.208 11.066 895 2HB HIS 109 HB3 HIS 109 10.137 -3.131 10.907 896 HD1 HIS 109 HD1 HIS 109 9.875 -0.782 11.795 897 HD2 HIS 109 HD2 HIS 109 6.300 -2.900 11.733 898 HE1 HIS 109 HE1 HIS 109 8.227 0.647 13.045 899 HE2 HIS 109 HE2 HIS 109 6.047 -0.612 12.913 900 H LEU 110 H LEU 110 10.920 -2.108 8.285 901 HA LEU 110 HA LEU 110 12.221 -4.582 7.493 902 1HB LEU 110 HB2 LEU 110 11.613 -2.349 5.555 903 2HB LEU 110 HB3 LEU 110 12.665 -3.708 5.213 904 HG LEU 110 HG LEU 110 9.715 -3.937 5.833 905 1HD1 LEU 110 2HD1 LEU 110 11.163 -4.028 3.191 906 2HD1 LEU 110 1HD1 LEU 110 9.458 -4.407 3.438 907 3HD1 LEU 110 3HD1 LEU 110 10.050 -2.771 3.732 908 1HD2 LEU 110 1HD2 LEU 110 11.069 -5.916 6.402 909 2HD2 LEU 110 3HD2 LEU 110 9.936 -6.218 5.084 910 3HD2 LEU 110 2HD2 LEU 110 11.647 -5.971 4.738 911 H ASN 111 H ASN 111 14.135 -4.376 8.493 912 HA ASN 111 HA ASN 111 15.387 -1.786 8.805 913 1HB ASN 111 HB2 ASN 111 15.519 -3.425 10.634 914 2HB ASN 111 HB3 ASN 111 16.359 -4.550 9.575 915 1HD2 ASN 111 1HD2 ASN 111 18.167 -4.641 10.875 916 2HD2 ASN 111 2HD2 ASN 111 19.279 -3.327 11.014 917 H VAL 112 H VAL 112 15.297 -1.683 6.375 918 HA VAL 112 HA VAL 112 16.657 -3.140 4.551 919 HB VAL 112 HB VAL 112 16.971 -0.161 4.452 920 1HG1 VAL 112 1HG1 VAL 112 17.834 -1.551 2.623 921 2HG1 VAL 112 3HG1 VAL 112 16.216 -2.212 2.378 922 3HG1 VAL 112 2HG1 VAL 112 16.521 -0.497 2.091 923 1HG2 VAL 112 1HG2 VAL 112 14.389 -1.688 4.185 924 2HG2 VAL 112 3HG2 VAL 112 14.749 -0.352 5.279 925 3HG2 VAL 112 2HG2 VAL 112 14.632 -0.063 3.545 926 H LYS 113 H LYS 113 18.718 -3.523 3.944 927 HA LYS 113 HA LYS 113 20.822 -2.877 5.777 928 1HB LYS 113 HB2 LYS 113 20.846 -4.308 3.115 929 2HB LYS 113 HB3 LYS 113 22.237 -4.167 4.182 930 1HG LYS 113 HG2 LYS 113 19.641 -5.467 4.962 931 2HG LYS 113 HG3 LYS 113 21.045 -6.335 4.340 932 1HD LYS 113 HD2 LYS 113 22.385 -5.531 6.216 933 2HD LYS 113 HD3 LYS 113 20.993 -4.637 6.834 934 1HE LYS 113 HE2 LYS 113 21.281 -6.736 8.032 935 2HE LYS 113 HE3 LYS 113 19.771 -6.729 7.122 936 1HZ LYS 113 HZ1 LYS 113 22.293 -8.049 6.274 937 2HZ LYS 113 HZ3 LYS 113 20.928 -8.834 6.894 938 3HZ LYS 113 HZ2 LYS 113 20.844 -8.043 5.402 No H/Q in entry = 938 Start of MODEL 11 1 H1 GLY -2 HT2 GLY -2 -6.635 -19.936 26.465 2 H2 GLY -2 HT1 GLY -2 -7.604 -19.713 25.098 3 H3 GLY -2 HT3 GLY -2 -8.002 -20.904 26.231 4 1HA GLY -2 HA2 GLY -2 -7.012 -21.907 24.278 5 2HA GLY -2 HA3 GLY -2 -6.006 -22.142 25.700 6 H SER -1 H SER -1 -4.943 -22.406 23.183 7 HA SER -1 HA SER -1 -3.480 -19.915 22.685 8 1HB SER -1 HB2 SER -1 -2.180 -22.617 23.111 9 2HB SER -1 HB3 SER -1 -1.343 -21.154 22.592 10 HG SER -1 HG SER -1 -1.519 -20.327 24.562 11 H HIS 0 H HIS 0 -3.529 -23.310 21.579 12 HA HIS 0 HA HIS 0 -3.002 -22.613 18.873 13 1HB HIS 0 HB2 HIS 0 -4.072 -25.185 20.055 14 2HB HIS 0 HB3 HIS 0 -3.499 -24.993 18.401 15 HD1 HIS 0 HD1 HIS 0 -1.035 -25.240 18.004 16 HD2 HIS 0 HD2 HIS 0 -1.981 -24.928 22.038 17 HE1 HIS 0 HE1 HIS 0 1.102 -25.729 19.235 18 HE2 HIS 0 HE2 HIS 0 0.525 -25.451 21.672 19 H MET 1 H MET 1 -4.388 -21.609 17.587 20 HA MET 1 HA MET 1 -7.266 -22.053 17.957 21 1HB MET 1 HB2 MET 1 -5.825 -19.870 16.441 22 2HB MET 1 HB3 MET 1 -7.566 -19.991 16.648 23 1HG MET 1 HG2 MET 1 -7.308 -19.726 19.055 24 2HG MET 1 HG3 MET 1 -5.559 -19.627 18.861 25 1HE MET 1 HE3 MET 1 -8.329 -18.088 16.526 26 2HE MET 1 HE2 MET 1 -9.007 -17.893 18.143 27 3HE MET 1 HE1 MET 1 -8.505 -16.477 17.220 28 H ILE 2 H ILE 2 -8.452 -23.073 16.464 29 HA ILE 2 HA ILE 2 -7.104 -24.200 14.160 30 HB ILE 2 HB ILE 2 -9.216 -25.430 13.793 31 1HG1 ILE 2 2HG1 ILE 2 -10.140 -24.045 16.322 32 2HG1 ILE 2 3HG1 ILE 2 -10.727 -23.676 14.704 33 1HG2 ILE 2 1HG2 ILE 2 -7.472 -26.373 15.207 34 2HG2 ILE 2 3HG2 ILE 2 -8.159 -25.563 16.615 35 3HG2 ILE 2 2HG2 ILE 2 -9.071 -26.831 15.795 36 1HD1 ILE 2 2HD1 ILE 2 -11.610 -25.946 14.512 37 2HD1 ILE 2 1HD1 ILE 2 -11.037 -26.299 16.141 38 3HD1 ILE 2 3HD1 ILE 2 -12.292 -25.086 15.893 39 H ALA 3 H ALA 3 -8.897 -21.431 14.820 40 HA ALA 3 HA ALA 3 -9.011 -20.731 12.032 41 1HB ALA 3 HB2 ALA 3 -11.083 -22.014 12.254 42 2HB ALA 3 HB3 ALA 3 -11.410 -20.311 11.940 43 3HB ALA 3 HB1 ALA 3 -11.596 -20.959 13.569 44 HA PRO 4 HA PRO 4 -8.287 -16.681 13.624 45 1HB PRO 4 HB2 PRO 4 -10.167 -15.691 11.549 46 2HB PRO 4 HB3 PRO 4 -8.483 -15.247 11.847 47 1HG PRO 4 HG2 PRO 4 -9.142 -16.791 9.775 48 2HG PRO 4 HG3 PRO 4 -7.658 -17.087 10.701 49 1HD PRO 4 HD2 PRO 4 -10.271 -18.541 10.784 50 2HD PRO 4 HD3 PRO 4 -8.619 -19.183 10.890 51 H LEU 5 H LEU 5 -9.267 -14.998 14.807 52 HA LEU 5 HA LEU 5 -12.133 -14.890 15.097 53 1HB LEU 5 HB2 LEU 5 -11.575 -16.775 16.558 54 2HB LEU 5 HB3 LEU 5 -10.410 -15.781 17.411 55 HG LEU 5 HG LEU 5 -12.278 -14.307 18.152 56 1HD1 LEU 5 1HD1 LEU 5 -13.852 -14.795 16.356 57 2HD1 LEU 5 3HD1 LEU 5 -14.007 -16.454 16.933 58 3HD1 LEU 5 2HD1 LEU 5 -14.570 -15.116 17.935 59 1HD2 LEU 5 3HD2 LEU 5 -12.534 -17.221 18.881 60 2HD2 LEU 5 2HD2 LEU 5 -11.419 -16.062 19.604 61 3HD2 LEU 5 1HD2 LEU 5 -13.158 -15.864 19.818 62 H SER 6 H SER 6 -9.181 -14.030 16.914 63 HA SER 6 HA SER 6 -9.918 -11.205 16.638 64 1HB SER 6 HB2 SER 6 -9.112 -12.526 19.241 65 2HB SER 6 HB3 SER 6 -9.347 -10.794 19.006 66 HG SER 6 HG SER 6 -11.312 -11.297 19.609 67 H VAL 7 H VAL 7 -7.613 -13.641 16.485 68 HA VAL 7 HA VAL 7 -5.353 -11.795 16.768 69 HB VAL 7 HB VAL 7 -5.279 -14.783 16.335 70 1HG1 VAL 7 3HG1 VAL 7 -3.241 -13.633 15.652 71 2HG1 VAL 7 2HG1 VAL 7 -3.149 -12.840 17.225 72 3HG1 VAL 7 1HG1 VAL 7 -2.962 -14.589 17.107 73 1HG2 VAL 7 2HG2 VAL 7 -5.070 -13.212 18.901 74 2HG2 VAL 7 1HG2 VAL 7 -6.389 -14.285 18.435 75 3HG2 VAL 7 3HG2 VAL 7 -4.782 -14.944 18.735 76 H LYS 8 H LYS 8 -4.401 -10.937 15.041 77 HA LYS 8 HA LYS 8 -4.444 -12.337 12.489 78 1HB LYS 8 HB2 LYS 8 -5.311 -9.458 12.765 79 2HB LYS 8 HB3 LYS 8 -5.175 -10.363 11.271 80 1HG LYS 8 HG2 LYS 8 -7.064 -11.107 13.486 81 2HG LYS 8 HG3 LYS 8 -7.503 -10.070 12.127 82 1HD LYS 8 HD2 LYS 8 -6.940 -11.877 10.571 83 2HD LYS 8 HD3 LYS 8 -6.512 -12.913 11.933 84 1HE LYS 8 HE2 LYS 8 -9.235 -11.734 11.391 85 2HE LYS 8 HE3 LYS 8 -8.758 -13.407 11.107 86 1HZ LYS 8 HZ3 LYS 8 -8.818 -12.055 13.751 87 2HZ LYS 8 HZ2 LYS 8 -9.957 -13.172 13.187 88 3HZ LYS 8 HZ1 LYS 8 -8.364 -13.662 13.476 89 H ASP 9 H ASP 9 -2.447 -12.362 11.758 90 HA ASP 9 HA ASP 9 -0.355 -10.884 12.935 91 1HB ASP 9 HB2 ASP 9 -0.025 -13.084 11.843 92 2HB ASP 9 HB3 ASP 9 -0.354 -12.338 10.282 93 H ASN 10 H ASN 10 0.226 -8.843 12.605 94 HA ASN 10 HA ASN 10 -0.452 -7.596 10.041 95 1HB ASN 10 HB2 ASN 10 -0.504 -5.450 11.560 96 2HB ASN 10 HB3 ASN 10 -1.918 -6.474 11.396 97 1HD2 ASN 10 1HD2 ASN 10 -1.134 -4.634 13.501 98 2HD2 ASN 10 2HD2 ASN 10 -1.088 -5.566 14.949 99 H ASP 11 H ASP 11 1.168 -5.956 12.610 100 HA ASP 11 HA ASP 11 3.267 -5.057 11.025 101 1HB ASP 11 HB2 ASP 11 4.338 -4.614 13.368 102 2HB ASP 11 HB3 ASP 11 2.896 -3.730 12.880 103 H LYS 12 H LYS 12 4.418 -6.585 9.996 104 HA LYS 12 HA LYS 12 5.633 -8.747 11.524 105 1HB LYS 12 HB2 LYS 12 6.409 -9.545 9.282 106 2HB LYS 12 HB3 LYS 12 4.664 -9.438 9.456 107 1HG LYS 12 HG2 LYS 12 4.587 -7.426 8.175 108 2HG LYS 12 HG3 LYS 12 6.349 -7.328 8.140 109 1HD LYS 12 HD2 LYS 12 4.770 -9.613 6.964 110 2HD LYS 12 HD3 LYS 12 5.296 -8.207 6.036 111 1HE LYS 12 HE2 LYS 12 7.628 -8.720 6.605 112 2HE LYS 12 HE3 LYS 12 7.090 -10.138 7.503 113 1HZ LYS 12 HZ1 LYS 12 6.193 -11.051 5.452 114 2HZ LYS 12 HZ3 LYS 12 6.718 -9.692 4.591 115 3HZ LYS 12 HZ2 LYS 12 7.847 -10.736 5.294 116 H TRP 13 H TRP 13 6.913 -7.199 12.710 117 HA TRP 13 HA TRP 13 8.820 -5.475 11.786 118 1HB TRP 13 HB2 TRP 13 9.390 -7.221 14.152 119 2HB TRP 13 HB3 TRP 13 9.663 -5.495 13.947 120 HD1 TRP 13 HD1 TRP 13 6.840 -7.992 14.702 121 HE1 TRP 13 HE1 TRP 13 4.878 -6.729 15.783 122 HE3 TRP 13 HE3 TRP 13 8.621 -3.214 14.295 123 HZ2 TRP 13 HZ2 TRP 13 4.161 -4.059 16.378 124 HZ3 TRP 13 HZ3 TRP 13 7.243 -1.369 15.159 125 HH2 TRP 13 HH2 TRP 13 5.067 -1.784 16.183 126 H VAL 14 H VAL 14 10.190 -5.946 10.121 127 HA VAL 14 HA VAL 14 12.106 -8.119 10.584 128 HB VAL 14 HB VAL 14 11.860 -9.031 8.317 129 1HG1 VAL 14 2HG1 VAL 14 9.323 -9.111 9.943 130 2HG1 VAL 14 1HG1 VAL 14 9.775 -10.265 8.689 131 3HG1 VAL 14 3HG1 VAL 14 10.736 -10.142 10.163 132 1HG2 VAL 14 2HG2 VAL 14 9.467 -7.207 8.161 133 2HG2 VAL 14 1HG2 VAL 14 10.925 -7.130 7.173 134 3HG2 VAL 14 3HG2 VAL 14 9.824 -8.499 7.016 135 H ASP 15 H ASP 15 13.512 -8.218 8.402 136 HA ASP 15 HA ASP 15 14.542 -5.486 8.044 137 1HB ASP 15 HB2 ASP 15 15.807 -8.182 8.238 138 2HB ASP 15 HB3 ASP 15 16.622 -6.940 7.288 139 H THR 16 H THR 16 16.030 -5.556 5.872 140 HA THR 16 HA THR 16 15.111 -7.042 3.668 141 HB THR 16 HB THR 16 13.081 -5.534 4.233 142 HG1 THR 16 HG1 THR 16 12.660 -6.255 2.292 143 1HG2 THR 16 2HG2 THR 16 14.414 -3.451 4.449 144 2HG2 THR 16 1HG2 THR 16 14.765 -3.540 2.724 145 3HG2 THR 16 3HG2 THR 16 13.104 -3.322 3.275 146 H HIS 17 H HIS 17 15.479 -5.501 1.538 147 HA HIS 17 HA HIS 17 18.064 -4.149 1.943 148 1HB HIS 17 HB2 HIS 17 17.296 -5.840 -0.446 149 2HB HIS 17 HB3 HIS 17 18.838 -5.034 -0.189 150 HD1 HIS 17 HD1 HIS 17 20.586 -6.281 1.103 151 HD2 HIS 17 HD2 HIS 17 16.838 -8.056 1.361 152 HE1 HIS 17 HE1 HIS 17 20.964 -8.485 2.254 153 HE2 HIS 17 HE2 HIS 17 18.670 -9.499 2.482 154 H VAL 18 H VAL 18 18.531 -2.985 -0.401 155 HA VAL 18 HA VAL 18 16.593 -0.895 -0.467 156 HB VAL 18 HB VAL 18 18.962 -0.425 -0.832 157 1HG1 VAL 18 1HG1 VAL 18 19.579 -2.446 -2.040 158 2HG1 VAL 18 3HG1 VAL 18 18.612 -1.930 -3.422 159 3HG1 VAL 18 2HG1 VAL 18 20.041 -1.009 -2.953 160 1HG2 VAL 18 1HG2 VAL 18 17.280 1.120 -1.712 161 2HG2 VAL 18 3HG2 VAL 18 18.720 1.088 -2.731 162 3HG2 VAL 18 2HG2 VAL 18 17.263 0.234 -3.237 163 H GLY 19 H GLY 19 15.049 -0.406 -1.884 164 1HA GLY 19 HA3 GLY 19 14.749 -1.293 -4.507 165 2HA GLY 19 HA2 GLY 19 13.461 -0.679 -3.494 166 H LYS 20 H LYS 20 14.285 -3.110 -1.652 167 HA LYS 20 HA LYS 20 13.617 -5.454 -2.997 168 1HB LYS 20 HB2 LYS 20 14.389 -4.921 -0.490 169 2HB LYS 20 HB3 LYS 20 12.677 -5.138 -0.197 170 1HG LYS 20 HG2 LYS 20 13.566 -7.243 0.159 171 2HG LYS 20 HG3 LYS 20 12.932 -7.335 -1.490 172 1HD LYS 20 HD2 LYS 20 15.061 -7.125 -2.437 173 2HD LYS 20 HD3 LYS 20 15.749 -6.527 -0.929 174 1HE LYS 20 HE2 LYS 20 15.437 -8.735 0.087 175 2HE LYS 20 HE3 LYS 20 14.738 -9.329 -1.418 176 1HZ LYS 20 HZ1 LYS 20 16.845 -8.904 -2.523 177 2HZ LYS 20 HZ3 LYS 20 17.516 -8.335 -1.077 178 3HZ LYS 20 HZ2 LYS 20 17.058 -9.957 -1.217 179 H THR 21 H THR 21 11.934 -4.913 -4.442 180 HA THR 21 HA THR 21 9.487 -3.772 -3.766 181 HB THR 21 HB THR 21 9.737 -5.891 -5.888 182 HG1 THR 21 HG1 THR 21 11.497 -4.502 -6.189 183 1HG2 THR 21 2HG2 THR 21 7.515 -4.921 -5.445 184 2HG2 THR 21 1HG2 THR 21 8.169 -3.312 -5.748 185 3HG2 THR 21 3HG2 THR 21 8.109 -4.500 -7.051 186 H THR 22 H THR 22 8.650 -4.582 -1.875 187 HA THR 22 HA THR 22 8.093 -7.426 -1.656 188 HB THR 22 HB THR 22 7.518 -5.148 0.254 189 HG1 THR 22 HG1 THR 22 9.767 -5.806 -0.093 190 1HG2 THR 22 2HG2 THR 22 5.914 -6.973 0.554 191 2HG2 THR 22 1HG2 THR 22 7.242 -8.128 0.668 192 3HG2 THR 22 3HG2 THR 22 7.040 -6.892 1.910 193 H GLU 23 H GLU 23 6.486 -8.053 -2.922 194 HA GLU 23 HA GLU 23 4.121 -6.461 -3.310 195 1HB GLU 23 HB2 GLU 23 5.126 -7.755 -5.149 196 2HB GLU 23 HB3 GLU 23 4.832 -9.240 -4.256 197 1HG GLU 23 HG2 GLU 23 2.475 -8.978 -4.438 198 2HG GLU 23 HG3 GLU 23 2.662 -7.347 -5.080 199 H ILE 24 H ILE 24 2.276 -6.663 -2.235 200 HA ILE 24 HA ILE 24 1.817 -9.105 -0.674 201 HB ILE 24 HB ILE 24 1.291 -6.314 0.320 202 1HG1 ILE 24 2HG1 ILE 24 3.410 -8.320 1.111 203 2HG1 ILE 24 3HG1 ILE 24 3.685 -6.789 0.290 204 1HG2 ILE 24 3HG2 ILE 24 -0.316 -8.001 1.099 205 2HG2 ILE 24 2HG2 ILE 24 1.020 -8.975 1.713 206 3HG2 ILE 24 1HG2 ILE 24 0.690 -7.391 2.415 207 1HD1 ILE 24 3HD1 ILE 24 2.621 -7.118 3.083 208 2HD1 ILE 24 2HD1 ILE 24 4.260 -6.645 2.639 209 3HD1 ILE 24 1HD1 ILE 24 2.903 -5.586 2.257 210 H HIS 25 H HIS 25 0.134 -9.983 -1.675 211 HA HIS 25 HA HIS 25 -2.044 -8.357 -2.679 212 1HB HIS 25 HB2 HIS 25 -2.004 -11.365 -2.579 213 2HB HIS 25 HB3 HIS 25 -2.854 -10.318 -3.702 214 HD1 HIS 25 HD1 HIS 25 -0.050 -12.467 -3.592 215 HD2 HIS 25 HD2 HIS 25 -0.812 -8.779 -5.347 216 HE1 HIS 25 HE1 HIS 25 1.663 -12.224 -5.417 217 HE2 HIS 25 HE2 HIS 25 1.106 -10.039 -6.539 218 H LEU 26 H LEU 26 -3.006 -7.505 -0.855 219 HA LEU 26 HA LEU 26 -3.786 -9.247 1.333 220 1HB LEU 26 HB2 LEU 26 -4.340 -6.319 0.901 221 2HB LEU 26 HB3 LEU 26 -4.624 -7.206 2.383 222 HG LEU 26 HG LEU 26 -1.860 -7.001 1.228 223 1HD1 LEU 26 3HD1 LEU 26 -2.692 -4.718 1.406 224 2HD1 LEU 26 2HD1 LEU 26 -3.188 -5.019 3.071 225 3HD1 LEU 26 1HD1 LEU 26 -1.477 -5.044 2.642 226 1HD2 LEU 26 3HD2 LEU 26 -2.400 -8.625 3.055 227 2HD2 LEU 26 2HD2 LEU 26 -1.160 -7.441 3.466 228 3HD2 LEU 26 1HD2 LEU 26 -2.803 -7.246 4.080 229 H LYS 27 H LYS 27 -5.898 -9.719 1.903 230 HA LYS 27 HA LYS 27 -7.820 -9.434 -0.289 231 1HB LYS 27 HB2 LYS 27 -8.134 -11.202 2.126 232 2HB LYS 27 HB3 LYS 27 -8.977 -11.309 0.589 233 1HG LYS 27 HG2 LYS 27 -6.777 -11.846 -0.483 234 2HG LYS 27 HG3 LYS 27 -6.094 -11.959 1.140 235 1HD LYS 27 HD2 LYS 27 -8.504 -13.553 0.325 236 2HD LYS 27 HD3 LYS 27 -6.862 -14.129 0.034 237 1HE LYS 27 HE2 LYS 27 -7.598 -15.085 2.085 238 2HE LYS 27 HE3 LYS 27 -6.417 -13.838 2.478 239 1HZ LYS 27 HZ1 LYS 27 -9.350 -13.402 2.553 240 2HZ LYS 27 HZ3 LYS 27 -8.431 -13.839 3.904 241 3HZ LYS 27 HZ2 LYS 27 -8.144 -12.364 3.130 242 H GLY 28 H GLY 28 -10.117 -9.130 0.343 243 1HA GLY 28 HA3 GLY 28 -10.369 -6.736 1.840 244 2HA GLY 28 HA2 GLY 28 -10.957 -8.097 2.778 245 H ASN 29 H ASN 29 -12.261 -5.704 1.453 246 HA ASN 29 HA ASN 29 -13.877 -6.589 -0.677 247 1HB ASN 29 HB2 ASN 29 -14.762 -8.092 1.109 248 2HB ASN 29 HB3 ASN 29 -15.245 -6.665 2.020 249 1HD2 ASN 29 1HD2 ASN 29 -17.406 -7.214 1.968 250 2HD2 ASN 29 2HD2 ASN 29 -18.358 -7.099 0.531 251 HA PRO 30 HA PRO 30 -13.674 -2.022 -0.140 252 1HB PRO 30 HB2 PRO 30 -14.663 -2.310 -2.933 253 2HB PRO 30 HB3 PRO 30 -13.390 -1.266 -2.291 254 1HG PRO 30 HG2 PRO 30 -12.776 -3.452 -3.674 255 2HG PRO 30 HG3 PRO 30 -11.827 -2.984 -2.250 256 1HD PRO 30 HD2 PRO 30 -13.887 -5.125 -2.540 257 2HD PRO 30 HD3 PRO 30 -12.383 -5.126 -1.600 258 H THR 31 H THR 31 -16.258 -4.167 -0.984 259 HA THR 31 HA THR 31 -18.276 -2.102 -1.062 260 HB THR 31 HB THR 31 -19.883 -3.911 -1.309 261 HG1 THR 31 HG1 THR 31 -18.391 -6.056 -1.528 262 1HG2 THR 31 1HG2 THR 31 -17.406 -4.365 -2.974 263 2HG2 THR 31 3HG2 THR 31 -19.032 -4.910 -3.382 264 3HG2 THR 31 2HG2 THR 31 -18.674 -3.185 -3.304 265 H THR 32 H THR 32 -16.544 -2.941 1.422 266 HA THR 32 HA THR 32 -18.722 -3.456 3.309 267 HB THR 32 HB THR 32 -16.920 -3.713 5.002 268 HG1 THR 32 HG1 THR 32 -14.805 -4.049 3.495 269 1HG2 THR 32 2HG2 THR 32 -16.608 -5.402 2.518 270 2HG2 THR 32 1HG2 THR 32 -16.036 -5.835 4.130 271 3HG2 THR 32 3HG2 THR 32 -17.765 -5.670 3.822 272 H GLY 33 H GLY 33 -15.858 -1.315 3.275 273 1HA GLY 33 HA3 GLY 33 -17.156 0.533 5.072 274 2HA GLY 33 HA2 GLY 33 -17.026 1.129 3.425 275 H TYR 34 H TYR 34 -14.578 -0.969 4.740 276 HA TYR 34 HA TYR 34 -12.839 1.324 5.279 277 1HB TYR 34 HB2 TYR 34 -12.564 -1.603 5.965 278 2HB TYR 34 HB3 TYR 34 -11.307 -0.410 6.274 279 HD1 TYR 34 HD1 TYR 34 -14.887 -1.133 7.008 280 HD2 TYR 34 HD2 TYR 34 -11.294 0.757 8.304 281 HE1 TYR 34 HE1 TYR 34 -15.949 -0.601 9.160 282 HE2 TYR 34 HE2 TYR 34 -12.352 1.287 10.459 283 HH TYR 34 HH TYR 34 -14.609 1.583 11.382 284 H MET 35 H MET 35 -10.383 0.499 4.835 285 HA MET 35 HA MET 35 -10.104 -0.644 2.194 286 1HB MET 35 HB2 MET 35 -10.254 1.492 1.358 287 2HB MET 35 HB3 MET 35 -9.744 2.227 2.872 288 1HG MET 35 HG2 MET 35 -7.437 1.466 2.414 289 2HG MET 35 HG3 MET 35 -7.988 0.877 0.862 290 1HE MET 35 HE1 MET 35 -10.079 3.041 -0.013 291 2HE MET 35 HE3 MET 35 -9.106 4.208 -0.910 292 3HE MET 35 HE2 MET 35 -8.845 2.481 -1.141 293 H TRP 36 H TRP 36 -7.977 -1.299 1.767 294 HA TRP 36 HA TRP 36 -6.243 -1.361 4.136 295 1HB TRP 36 HB2 TRP 36 -6.897 -3.317 2.057 296 2HB TRP 36 HB3 TRP 36 -5.178 -3.164 2.375 297 HD1 TRP 36 HD1 TRP 36 -7.969 -5.169 3.441 298 HE1 TRP 36 HE1 TRP 36 -7.597 -6.177 5.781 299 HE3 TRP 36 HE3 TRP 36 -4.063 -2.254 4.959 300 HZ2 TRP 36 HZ2 TRP 36 -5.870 -5.782 7.981 301 HZ3 TRP 36 HZ3 TRP 36 -3.105 -2.630 7.188 302 HH2 TRP 36 HH2 TRP 36 -3.993 -4.357 8.669 303 H THR 37 H THR 37 -5.280 0.647 3.806 304 HA THR 37 HA THR 37 -3.388 0.705 1.552 305 HB THR 37 HB THR 37 -5.379 2.161 1.067 306 HG1 THR 37 HG1 THR 37 -2.991 2.564 0.479 307 1HG2 THR 37 3HG2 THR 37 -4.280 3.767 3.383 308 2HG2 THR 37 2HG2 THR 37 -5.545 4.298 2.274 309 3HG2 THR 37 1HG2 THR 37 -5.829 2.925 3.344 310 H ARG 38 H ARG 38 -2.105 3.082 2.106 311 HA ARG 38 HA ARG 38 -0.538 2.359 4.392 312 1HB ARG 38 HB2 ARG 38 -0.342 4.243 2.164 313 2HB ARG 38 HB3 ARG 38 0.267 4.899 3.674 314 1HG ARG 38 HG2 ARG 38 2.126 3.691 3.542 315 2HG ARG 38 HG3 ARG 38 1.221 2.211 3.238 316 1HD ARG 38 HD2 ARG 38 2.145 4.250 1.230 317 2HD ARG 38 HD3 ARG 38 2.623 2.575 1.351 318 HE ARG 38 HE ARG 38 0.304 3.589 0.048 319 1HH1 ARG 38 1HH1 ARG 38 1.656 0.821 1.667 320 2HH1 ARG 38 2HH1 ARG 38 0.514 -0.294 0.996 321 1HH2 ARG 38 1HH2 ARG 38 -1.225 2.121 -0.822 322 2HH2 ARG 38 2HH2 ARG 38 -1.117 0.442 -0.414 323 H VAL 39 H VAL 39 -0.079 3.799 6.205 324 HA VAL 39 HA VAL 39 -2.506 4.898 7.299 325 HB VAL 39 HB VAL 39 0.290 4.791 8.447 326 1HG1 VAL 39 3HG1 VAL 39 -2.320 5.549 9.758 327 2HG1 VAL 39 2HG1 VAL 39 -0.790 5.304 10.600 328 3HG1 VAL 39 1HG1 VAL 39 -0.956 6.621 9.439 329 1HG2 VAL 39 1HG2 VAL 39 -0.940 2.615 8.026 330 2HG2 VAL 39 3HG2 VAL 39 -0.400 2.903 9.681 331 3HG2 VAL 39 2HG2 VAL 39 -2.095 3.144 9.249 332 H GLY 40 H GLY 40 -3.051 7.002 7.535 333 1HA GLY 40 HA3 GLY 40 -1.159 9.140 7.381 334 2HA GLY 40 HA2 GLY 40 -2.909 9.302 7.416 335 H PHE 41 H PHE 41 -1.909 7.174 5.024 336 HA PHE 41 HA PHE 41 -1.820 9.273 2.970 337 1HB PHE 41 HB2 PHE 41 -0.948 6.378 2.852 338 2HB PHE 41 HB3 PHE 41 -0.843 7.514 1.516 339 HD1 PHE 41 HD1 PHE 41 1.523 6.106 2.299 340 HD2 PHE 41 HD2 PHE 41 -0.125 9.672 3.936 341 HE1 PHE 41 HE1 PHE 41 3.761 6.782 3.065 342 HE2 PHE 41 HE2 PHE 41 2.112 10.357 4.702 343 HZ PHE 41 HZ PHE 41 4.058 8.912 4.267 344 H VAL 42 H VAL 42 -4.044 7.585 4.444 345 HA VAL 42 HA VAL 42 -5.441 6.154 2.478 346 HB VAL 42 HB VAL 42 -6.708 7.599 4.803 347 1HG1 VAL 42 2HG1 VAL 42 -8.189 6.556 3.099 348 2HG1 VAL 42 1HG1 VAL 42 -7.448 5.001 3.474 349 3HG1 VAL 42 3HG1 VAL 42 -8.356 5.866 4.713 350 1HG2 VAL 42 1HG2 VAL 42 -4.627 6.254 5.373 351 2HG2 VAL 42 3HG2 VAL 42 -6.106 5.847 6.240 352 3HG2 VAL 42 2HG2 VAL 42 -5.558 4.829 4.909 353 H GLY 43 H GLY 43 -5.984 7.028 0.591 354 1HA GLY 43 HA3 GLY 43 -7.351 9.649 0.623 355 2HA GLY 43 HA2 GLY 43 -7.821 8.327 -0.438 356 H LYS 44 H LYS 44 -4.466 8.746 0.111 357 HA LYS 44 HA LYS 44 -3.922 10.597 -1.970 358 1HB LYS 44 HB2 LYS 44 -2.136 8.586 -0.586 359 2HB LYS 44 HB3 LYS 44 -1.575 9.852 -1.665 360 1HG LYS 44 HG2 LYS 44 -2.529 11.533 -0.116 361 2HG LYS 44 HG3 LYS 44 -2.943 10.220 0.989 362 1HD LYS 44 HD2 LYS 44 -0.872 11.194 1.710 363 2HD LYS 44 HD3 LYS 44 -0.534 9.593 1.047 364 1HE LYS 44 HE2 LYS 44 0.158 10.617 -1.065 365 2HE LYS 44 HE3 LYS 44 -0.178 12.216 -0.401 366 1HZ LYS 44 HZ1 LYS 44 1.523 11.837 1.273 367 2HZ LYS 44 HZ3 LYS 44 1.846 10.304 0.634 368 3HZ LYS 44 HZ2 LYS 44 2.172 11.689 -0.281 369 H ASP 45 H ASP 45 -2.186 9.783 -3.689 370 HA ASP 45 HA ASP 45 -3.438 7.508 -5.071 371 1HB ASP 45 HB2 ASP 45 -2.628 10.168 -5.942 372 2HB ASP 45 HB3 ASP 45 -1.967 8.897 -6.962 373 H VAL 46 H VAL 46 -0.318 9.159 -4.661 374 HA VAL 46 HA VAL 46 1.149 6.893 -5.665 375 HB VAL 46 HB VAL 46 2.007 9.107 -6.123 376 1HG1 VAL 46 1HG1 VAL 46 1.119 10.269 -4.181 377 2HG1 VAL 46 3HG1 VAL 46 2.247 9.411 -3.132 378 3HG1 VAL 46 2HG1 VAL 46 2.854 10.551 -4.331 379 1HG2 VAL 46 2HG2 VAL 46 3.634 7.306 -5.905 380 2HG2 VAL 46 1HG2 VAL 46 4.313 8.837 -5.352 381 3HG2 VAL 46 3HG2 VAL 46 3.779 7.633 -4.178 382 H LEU 47 H LEU 47 0.279 8.163 -2.547 383 HA LEU 47 HA LEU 47 0.379 7.237 -0.461 384 1HB LEU 47 HB2 LEU 47 1.713 4.838 -1.696 385 2HB LEU 47 HB3 LEU 47 0.793 4.910 -0.208 386 HG LEU 47 HG LEU 47 -0.515 5.467 -2.855 387 1HD1 LEU 47 3HD1 LEU 47 0.171 2.809 -1.674 388 2HD1 LEU 47 2HD1 LEU 47 -1.225 3.021 -2.730 389 3HD1 LEU 47 1HD1 LEU 47 0.396 3.385 -3.325 390 1HD2 LEU 47 3HD2 LEU 47 -1.467 4.535 -0.150 391 2HD2 LEU 47 2HD2 LEU 47 -1.851 6.048 -0.973 392 3HD2 LEU 47 1HD2 LEU 47 -2.482 4.522 -1.596 393 H SER 48 H SER 48 3.124 5.734 -2.004 394 HA SER 48 HA SER 48 5.055 6.118 -0.110 395 1HB SER 48 HB2 SER 48 6.640 5.632 -1.799 396 2HB SER 48 HB3 SER 48 5.164 4.816 -2.302 397 HG SER 48 HG SER 48 5.908 5.885 -4.075 398 H ASP 49 H ASP 49 7.176 7.488 -0.721 399 HA ASP 49 HA ASP 49 6.541 10.186 -1.562 400 1HB ASP 49 HB2 ASP 49 7.300 9.528 1.280 401 2HB ASP 49 HB3 ASP 49 7.534 11.131 0.585 402 H GLU 50 H GLU 50 9.131 9.360 0.642 403 HA GLU 50 HA GLU 50 11.048 9.459 -1.583 404 1HB GLU 50 HB2 GLU 50 12.508 10.863 -0.251 405 2HB GLU 50 HB3 GLU 50 10.929 11.624 -0.409 406 1HG GLU 50 HG2 GLU 50 10.323 10.891 1.820 407 2HG GLU 50 HG3 GLU 50 11.881 10.082 1.991 408 H ILE 51 H ILE 51 10.213 8.278 1.596 409 HA ILE 51 HA ILE 51 12.651 6.845 2.032 410 HB ILE 51 HB ILE 51 9.991 6.328 3.351 411 1HG1 ILE 51 2HG1 ILE 51 10.591 8.739 3.425 412 2HG1 ILE 51 3HG1 ILE 51 10.580 7.982 5.011 413 1HG2 ILE 51 2HG2 ILE 51 12.832 5.875 4.252 414 2HG2 ILE 51 1HG2 ILE 51 11.395 5.599 5.236 415 3HG2 ILE 51 3HG2 ILE 51 11.667 4.637 3.783 416 1HD1 ILE 51 1HD1 ILE 51 13.044 8.524 3.372 417 2HD1 ILE 51 3HD1 ILE 51 12.462 9.523 4.703 418 3HD1 ILE 51 2HD1 ILE 51 12.993 7.870 5.010 419 H LEU 52 H LEU 52 9.436 5.383 2.028 420 HA LEU 52 HA LEU 52 10.529 3.121 0.510 421 1HB LEU 52 HB2 LEU 52 8.320 3.440 2.486 422 2HB LEU 52 HB3 LEU 52 8.196 2.157 1.299 423 HG LEU 52 HG LEU 52 10.673 2.419 2.954 424 1HD1 LEU 52 2HD1 LEU 52 8.129 1.049 3.805 425 2HD1 LEU 52 1HD1 LEU 52 9.687 0.925 4.620 426 3HD1 LEU 52 3HD1 LEU 52 8.846 2.473 4.557 427 1HD2 LEU 52 3HD2 LEU 52 10.505 0.874 0.989 428 2HD2 LEU 52 2HD2 LEU 52 10.904 0.094 2.519 429 3HD2 LEU 52 1HD2 LEU 52 9.265 -0.010 1.877 430 H GLU 53 H GLU 53 10.169 3.199 -1.623 431 HA GLU 53 HA GLU 53 8.085 4.710 -2.822 432 1HB GLU 53 HB2 GLU 53 10.277 2.984 -3.700 433 2HB GLU 53 HB3 GLU 53 8.858 2.867 -4.727 434 1HG GLU 53 HG2 GLU 53 9.770 5.574 -3.995 435 2HG GLU 53 HG3 GLU 53 10.786 4.645 -5.096 436 H VAL 54 H VAL 54 6.367 3.716 -1.396 437 HA VAL 54 HA VAL 54 5.567 1.031 -1.888 438 HB VAL 54 HB VAL 54 3.616 3.048 -0.881 439 1HG1 VAL 54 2HG1 VAL 54 4.249 0.166 -0.288 440 2HG1 VAL 54 1HG1 VAL 54 3.037 1.105 0.578 441 3HG1 VAL 54 3HG1 VAL 54 2.850 0.806 -1.149 442 1HG2 VAL 54 3HG2 VAL 54 5.937 1.974 0.714 443 2HG2 VAL 54 2HG2 VAL 54 5.644 3.658 0.286 444 3HG2 VAL 54 1HG2 VAL 54 4.545 2.824 1.384 445 H VAL 55 H VAL 55 5.389 0.869 -4.138 446 HA VAL 55 HA VAL 55 3.370 2.445 -5.489 447 HB VAL 55 HB VAL 55 4.849 0.057 -6.570 448 1HG1 VAL 55 3HG1 VAL 55 2.780 0.941 -7.722 449 2HG1 VAL 55 2HG1 VAL 55 3.704 2.404 -8.061 450 3HG1 VAL 55 1HG1 VAL 55 4.239 0.855 -8.713 451 1HG2 VAL 55 3HG2 VAL 55 5.667 2.962 -6.668 452 2HG2 VAL 55 2HG2 VAL 55 6.492 1.673 -5.791 453 3HG2 VAL 55 1HG2 VAL 55 6.449 1.653 -7.554 454 H CYS 56 H CYS 56 1.524 1.832 -4.364 455 HA CYS 56 HA CYS 56 0.740 -0.984 -4.678 456 1HB CYS 56 HB2 CYS 56 0.769 -0.555 -2.371 457 2HB CYS 56 HB3 CYS 56 0.048 1.035 -2.567 458 HG CYS 56 HG CYS 56 -2.385 0.309 -2.216 459 H LYS 57 H LYS 57 -1.023 -1.510 -5.755 460 HA LYS 57 HA LYS 57 -2.717 0.670 -6.768 461 1HB LYS 57 HB2 LYS 57 -2.417 -2.037 -8.042 462 2HB LYS 57 HB3 LYS 57 -3.086 -0.577 -8.751 463 1HG LYS 57 HG2 LYS 57 -0.192 -0.956 -8.012 464 2HG LYS 57 HG3 LYS 57 -0.860 -1.147 -9.635 465 1HD LYS 57 HD2 LYS 57 -1.595 1.195 -9.595 466 2HD LYS 57 HD3 LYS 57 -0.896 1.379 -7.985 467 1HE LYS 57 HE2 LYS 57 0.614 2.263 -9.667 468 2HE LYS 57 HE3 LYS 57 1.317 0.844 -8.892 469 1HZ LYS 57 HZ1 LYS 57 -0.037 0.875 -11.535 470 2HZ LYS 57 HZ3 LYS 57 1.634 0.793 -11.284 471 3HZ LYS 57 HZ2 LYS 57 0.642 -0.485 -10.793 472 H TYR 58 H TYR 58 -4.563 0.720 -5.707 473 HA TYR 58 HA TYR 58 -5.562 -1.497 -4.231 474 1HB TYR 58 HB2 TYR 58 -5.947 0.899 -3.594 475 2HB TYR 58 HB3 TYR 58 -7.036 1.043 -4.972 476 HD1 TYR 58 HD1 TYR 58 -7.127 0.941 -1.628 477 HD2 TYR 58 HD2 TYR 58 -8.681 -1.300 -4.909 478 HE1 TYR 58 HE1 TYR 58 -9.000 0.161 -0.231 479 HE2 TYR 58 HE2 TYR 58 -10.531 -2.102 -3.521 480 HH TYR 58 HH TYR 58 -11.283 -0.704 -0.511 481 H THR 59 H THR 59 -6.554 -3.181 -5.050 482 HA THR 59 HA THR 59 -7.988 -2.906 -7.599 483 HB THR 59 HB THR 59 -7.805 -5.618 -7.046 484 HG1 THR 59 HG1 THR 59 -5.178 -4.817 -6.708 485 1HG2 THR 59 1HG2 THR 59 -5.925 -3.901 -8.670 486 2HG2 THR 59 3HG2 THR 59 -6.129 -5.645 -8.839 487 3HG2 THR 59 2HG2 THR 59 -7.464 -4.559 -9.225 488 HA PRO 60 HA PRO 60 -11.570 -3.650 -4.997 489 1HB PRO 60 HB2 PRO 60 -13.323 -2.330 -6.533 490 2HB PRO 60 HB3 PRO 60 -12.122 -1.481 -5.557 491 1HG PRO 60 HG2 PRO 60 -12.226 -1.891 -8.482 492 2HG PRO 60 HG3 PRO 60 -11.439 -0.607 -7.552 493 1HD PRO 60 HD2 PRO 60 -10.246 -2.945 -8.678 494 2HD PRO 60 HD3 PRO 60 -9.473 -1.671 -7.718 495 H THR 61 H THR 61 -13.751 -4.583 -5.357 496 HA THR 61 HA THR 61 -13.574 -6.918 -7.016 497 HB THR 61 HB THR 61 -16.217 -6.424 -5.911 498 HG1 THR 61 HG1 THR 61 -15.666 -5.671 -4.020 499 1HG2 THR 61 3HG2 THR 61 -14.083 -8.498 -5.392 500 2HG2 THR 61 2HG2 THR 61 -15.727 -8.570 -4.757 501 3HG2 THR 61 1HG2 THR 61 -15.450 -8.640 -6.496 502 HA PRO 62 HA PRO 62 -15.550 -5.460 -10.685 503 1HB PRO 62 HB2 PRO 62 -16.971 -8.060 -10.759 504 2HB PRO 62 HB3 PRO 62 -15.899 -7.329 -11.958 505 1HG PRO 62 HG2 PRO 62 -15.077 -9.382 -10.469 506 2HG PRO 62 HG3 PRO 62 -13.978 -8.048 -10.866 507 1HD PRO 62 HD2 PRO 62 -15.454 -8.588 -8.321 508 2HD PRO 62 HD3 PRO 62 -13.786 -8.023 -8.559 509 H SER 63 H SER 63 -17.327 -4.303 -11.114 510 HA SER 63 HA SER 63 -19.797 -4.919 -9.645 511 1HB SER 63 HB2 SER 63 -18.748 -2.974 -8.612 512 2HB SER 63 HB3 SER 63 -18.645 -2.179 -10.183 513 HG SER 63 HG SER 63 -21.029 -2.455 -10.202 514 H SER 64 H SER 64 -19.408 -2.235 -11.783 515 HA SER 64 HA SER 64 -21.591 -3.035 -13.416 516 1HB SER 64 HB2 SER 64 -19.534 -0.856 -13.861 517 2HB SER 64 HB3 SER 64 -21.041 -1.036 -14.760 518 HG SER 64 HG SER 64 -20.674 0.246 -12.497 519 H THR 65 H THR 65 -18.204 -3.589 -13.511 520 HA THR 65 HA THR 65 -18.095 -4.230 -16.326 521 HB THR 65 HB THR 65 -15.778 -4.988 -15.810 522 HG1 THR 65 HG1 THR 65 -16.709 -5.101 -13.343 523 1HG2 THR 65 1HG2 THR 65 -16.201 -2.661 -16.430 524 2HG2 THR 65 3HG2 THR 65 -16.497 -2.257 -14.739 525 3HG2 THR 65 2HG2 THR 65 -14.891 -2.770 -15.255 526 HA PRO 66 HA PRO 66 -19.091 -8.529 -16.058 527 1HB PRO 66 HB2 PRO 66 -17.447 -9.657 -17.881 528 2HB PRO 66 HB3 PRO 66 -18.784 -8.601 -18.347 529 1HG PRO 66 HG2 PRO 66 -15.874 -7.952 -18.037 530 2HG PRO 66 HG3 PRO 66 -16.975 -7.520 -19.361 531 1HD PRO 66 HD2 PRO 66 -16.348 -5.782 -17.390 532 2HD PRO 66 HD3 PRO 66 -17.949 -5.802 -18.156 533 H MET 67 H MET 67 -17.330 -10.705 -16.532 534 HA MET 67 HA MET 67 -15.753 -10.625 -14.053 535 1HB MET 67 HB2 MET 67 -17.017 -12.960 -15.494 536 2HB MET 67 HB3 MET 67 -15.954 -13.121 -14.104 537 1HG MET 67 HG2 MET 67 -18.188 -13.292 -13.330 538 2HG MET 67 HG3 MET 67 -17.558 -11.733 -12.802 539 1HE MET 67 HE2 MET 67 -20.026 -10.906 -12.268 540 2HE MET 67 HE1 MET 67 -21.351 -10.972 -13.430 541 3HE MET 67 HE3 MET 67 -20.663 -12.466 -12.792 542 H VAL 68 H VAL 68 -14.067 -9.577 -15.371 543 HA VAL 68 HA VAL 68 -12.383 -11.612 -16.663 544 HB VAL 68 HB VAL 68 -12.459 -8.765 -17.647 545 1HG1 VAL 68 2HG1 VAL 68 -11.476 -11.345 -18.865 546 2HG1 VAL 68 1HG1 VAL 68 -11.455 -9.771 -19.659 547 3HG1 VAL 68 3HG1 VAL 68 -10.477 -10.043 -18.217 548 1HG2 VAL 68 2HG2 VAL 68 -14.702 -9.667 -17.939 549 2HG2 VAL 68 1HG2 VAL 68 -13.885 -9.516 -19.495 550 3HG2 VAL 68 3HG2 VAL 68 -14.038 -11.098 -18.729 551 H GLY 69 H GLY 69 -12.273 -10.777 -13.971 552 1HA GLY 69 HA3 GLY 69 -9.522 -10.100 -13.757 553 2HA GLY 69 HA2 GLY 69 -10.659 -10.234 -12.425 554 H VAL 70 H VAL 70 -11.661 -8.406 -11.627 555 HA VAL 70 HA VAL 70 -10.780 -5.851 -12.799 556 HB VAL 70 HB VAL 70 -13.204 -6.182 -11.043 557 1HG1 VAL 70 3HG1 VAL 70 -12.339 -4.040 -12.982 558 2HG1 VAL 70 2HG1 VAL 70 -13.886 -4.070 -12.133 559 3HG1 VAL 70 1HG1 VAL 70 -12.383 -3.919 -11.223 560 1HG2 VAL 70 1HG2 VAL 70 -13.467 -7.622 -13.008 561 2HG2 VAL 70 3HG2 VAL 70 -14.577 -6.252 -13.049 562 3HG2 VAL 70 2HG2 VAL 70 -13.130 -6.245 -14.057 563 H GLY 71 H GLY 71 -10.077 -7.871 -10.380 564 1HA GLY 71 HA3 GLY 71 -9.437 -5.663 -8.522 565 2HA GLY 71 HA2 GLY 71 -8.345 -7.002 -8.836 566 H GLY 72 H GLY 72 -9.771 -5.914 -6.373 567 1HA GLY 72 HA3 GLY 72 -11.022 -8.457 -5.546 568 2HA GLY 72 HA2 GLY 72 -11.479 -6.889 -4.902 569 H ILE 73 H ILE 73 -8.417 -6.332 -5.010 570 HA ILE 73 HA ILE 73 -7.938 -7.179 -2.288 571 HB ILE 73 HB ILE 73 -5.666 -8.026 -2.827 572 1HG1 ILE 73 2HG1 ILE 73 -6.566 -8.558 -5.619 573 2HG1 ILE 73 3HG1 ILE 73 -5.826 -7.007 -5.222 574 1HG2 ILE 73 1HG2 ILE 73 -7.529 -9.516 -2.286 575 2HG2 ILE 73 3HG2 ILE 73 -7.868 -9.677 -4.011 576 3HG2 ILE 73 2HG2 ILE 73 -6.335 -10.256 -3.352 577 1HD1 ILE 73 3HD1 ILE 73 -3.867 -8.212 -4.332 578 2HD1 ILE 73 2HD1 ILE 73 -4.601 -9.730 -4.851 579 3HD1 ILE 73 1HD1 ILE 73 -4.147 -8.516 -6.049 580 H TYR 74 H TYR 74 -5.259 -6.586 -2.130 581 HA TYR 74 HA TYR 74 -5.016 -3.828 -3.097 582 1HB TYR 74 HB2 TYR 74 -4.121 -4.583 -0.330 583 2HB TYR 74 HB3 TYR 74 -4.513 -2.990 -0.972 584 HD1 TYR 74 HD1 TYR 74 -6.753 -2.150 -0.903 585 HD2 TYR 74 HD2 TYR 74 -5.958 -6.165 0.252 586 HE1 TYR 74 HE1 TYR 74 -9.018 -2.334 0.040 587 HE2 TYR 74 HE2 TYR 74 -8.216 -6.352 1.190 588 HH TYR 74 HH TYR 74 -10.654 -4.084 0.578 589 H VAL 75 H VAL 75 -3.356 -4.081 -4.513 590 HA VAL 75 HA VAL 75 -1.157 -5.865 -3.894 591 HB VAL 75 HB VAL 75 -1.726 -4.177 -6.333 592 1HG1 VAL 75 3HG1 VAL 75 0.508 -6.141 -5.832 593 2HG1 VAL 75 2HG1 VAL 75 0.116 -5.429 -7.398 594 3HG1 VAL 75 1HG1 VAL 75 0.668 -4.401 -6.076 595 1HG2 VAL 75 3HG2 VAL 75 -3.246 -6.061 -6.053 596 2HG2 VAL 75 2HG2 VAL 75 -2.158 -6.333 -7.414 597 3HG2 VAL 75 1HG2 VAL 75 -1.872 -7.155 -5.880 598 H VAL 76 H VAL 76 0.302 -5.077 -2.513 599 HA VAL 76 HA VAL 76 1.119 -2.262 -2.799 600 HB VAL 76 HB VAL 76 1.607 -4.054 -0.425 601 1HG1 VAL 76 3HG1 VAL 76 1.858 -1.078 -0.822 602 2HG1 VAL 76 2HG1 VAL 76 2.007 -1.902 0.731 603 3HG1 VAL 76 1HG1 VAL 76 3.169 -2.228 -0.557 604 1HG2 VAL 76 3HG2 VAL 76 -0.809 -3.705 -0.829 605 2HG2 VAL 76 2HG2 VAL 76 -0.246 -2.974 0.674 606 3HG2 VAL 76 1HG2 VAL 76 -0.542 -1.965 -0.741 607 H LEU 77 H LEU 77 3.000 -1.887 -3.775 608 HA LEU 77 HA LEU 77 5.139 -3.902 -3.565 609 1HB LEU 77 HB2 LEU 77 4.600 -1.820 -5.678 610 2HB LEU 77 HB3 LEU 77 6.101 -2.720 -5.583 611 HG LEU 77 HG LEU 77 3.344 -3.889 -6.036 612 1HD1 LEU 77 3HD1 LEU 77 4.189 -2.676 -7.971 613 2HD1 LEU 77 2HD1 LEU 77 5.698 -3.585 -7.895 614 3HD1 LEU 77 1HD1 LEU 77 4.187 -4.414 -8.269 615 1HD2 LEU 77 2HD2 LEU 77 5.110 -5.253 -4.733 616 2HD2 LEU 77 1HD2 LEU 77 4.291 -6.004 -6.105 617 3HD2 LEU 77 3HD2 LEU 77 5.926 -5.376 -6.292 618 H VAL 78 H VAL 78 6.167 -3.236 -1.727 619 HA VAL 78 HA VAL 78 6.796 -0.402 -1.429 620 HB VAL 78 HB VAL 78 7.951 -2.088 0.612 621 1HG1 VAL 78 1HG1 VAL 78 5.834 0.077 0.622 622 2HG1 VAL 78 3HG1 VAL 78 6.567 -0.619 2.069 623 3HG1 VAL 78 2HG1 VAL 78 7.563 0.279 0.926 624 1HG2 VAL 78 2HG2 VAL 78 4.995 -2.382 0.110 625 2HG2 VAL 78 1HG2 VAL 78 6.208 -3.661 0.072 626 3HG2 VAL 78 3HG2 VAL 78 5.818 -2.860 1.593 627 H LYS 79 H LYS 79 8.492 0.298 -2.505 628 HA LYS 79 HA LYS 79 10.894 -1.394 -2.658 629 1HB LYS 79 HB2 LYS 79 9.657 0.574 -4.516 630 2HB LYS 79 HB3 LYS 79 11.410 0.445 -4.516 631 1HG LYS 79 HG2 LYS 79 11.157 -2.006 -4.902 632 2HG LYS 79 HG3 LYS 79 9.411 -1.743 -5.088 633 1HD LYS 79 HD2 LYS 79 11.553 -0.410 -6.752 634 2HD LYS 79 HD3 LYS 79 10.632 -1.831 -7.247 635 1HE LYS 79 HE2 LYS 79 9.487 0.883 -6.597 636 2HE LYS 79 HE3 LYS 79 9.701 0.209 -8.213 637 1HZ LYS 79 HZ2 LYS 79 8.154 -1.557 -7.639 638 2HZ LYS 79 HZ1 LYS 79 7.948 -0.908 -6.091 639 3HZ LYS 79 HZ3 LYS 79 7.428 -0.042 -7.449 640 HA PRO 80 HA PRO 80 12.142 1.734 0.484 641 1HB PRO 80 HB2 PRO 80 14.594 0.369 0.766 642 2HB PRO 80 HB3 PRO 80 13.191 0.265 1.830 643 1HG PRO 80 HG2 PRO 80 14.062 -1.561 -0.342 644 2HG PRO 80 HG3 PRO 80 13.192 -1.928 1.157 645 1HD PRO 80 HD2 PRO 80 11.957 -1.907 -1.227 646 2HD PRO 80 HD3 PRO 80 11.140 -1.363 0.253 647 H ARG 81 H ARG 81 12.526 3.503 -0.736 648 HA ARG 81 HA ARG 81 14.348 3.678 -2.871 649 1HB ARG 81 HB2 ARG 81 12.634 5.485 -1.373 650 2HB ARG 81 HB3 ARG 81 14.149 6.247 -1.833 651 1HG ARG 81 HG2 ARG 81 13.749 5.837 -4.139 652 2HG ARG 81 HG3 ARG 81 12.362 4.807 -3.773 653 1HD ARG 81 HD2 ARG 81 11.118 6.670 -2.936 654 2HD ARG 81 HD3 ARG 81 12.524 7.731 -3.064 655 HE ARG 81 HE ARG 81 11.762 6.562 -5.569 656 1HH1 ARG 81 1HH1 ARG 81 11.142 9.171 -3.344 657 2HH1 ARG 81 2HH1 ARG 81 10.501 10.226 -4.559 658 1HH2 ARG 81 1HH2 ARG 81 10.921 7.944 -7.174 659 2HH2 ARG 81 2HH2 ARG 81 10.376 9.529 -6.736 660 H LYS 82 H LYS 82 14.680 4.191 0.581 661 HA LYS 82 HA LYS 82 17.544 4.759 0.188 662 1HB LYS 82 HB2 LYS 82 15.890 5.506 2.601 663 2HB LYS 82 HB3 LYS 82 17.526 6.027 2.228 664 1HG LYS 82 HG2 LYS 82 16.691 7.279 0.302 665 2HG LYS 82 HG3 LYS 82 15.048 6.759 0.683 666 1HD LYS 82 HD2 LYS 82 15.222 7.877 2.868 667 2HD LYS 82 HD3 LYS 82 16.838 8.438 2.436 668 1HE LYS 82 HE2 LYS 82 14.295 9.104 0.955 669 2HE LYS 82 HE3 LYS 82 15.133 10.171 2.081 670 1HZ LYS 82 HZ2 LYS 82 16.255 9.124 -0.462 671 2HZ LYS 82 HZ1 LYS 82 15.680 10.695 -0.212 672 3HZ LYS 82 HZ3 LYS 82 17.053 10.155 0.616 673 H ARG 83 H ARG 83 18.626 4.284 2.550 674 HA ARG 83 HA ARG 83 17.880 1.512 3.220 675 1HB ARG 83 HB2 ARG 83 20.674 2.654 3.150 676 2HB ARG 83 HB3 ARG 83 20.235 0.992 3.510 677 1HG ARG 83 HG2 ARG 83 19.547 0.591 1.280 678 2HG ARG 83 HG3 ARG 83 19.629 2.308 0.879 679 1HD ARG 83 HD2 ARG 83 21.545 1.037 -0.004 680 2HD ARG 83 HD3 ARG 83 22.029 2.296 1.132 681 HE ARG 83 HE ARG 83 21.741 -0.035 2.599 682 1HH1 ARG 83 1HH1 ARG 83 23.722 1.132 -0.021 683 2HH1 ARG 83 2HH1 ARG 83 25.080 0.139 0.394 684 1HH2 ARG 83 1HH2 ARG 83 23.523 -1.345 3.150 685 2HH2 ARG 83 2HH2 ARG 83 24.966 -1.269 2.195 686 H GLY 84 H GLY 84 18.064 0.876 5.372 687 1HA GLY 84 HA3 GLY 84 18.302 3.120 7.271 688 2HA GLY 84 HA2 GLY 84 19.132 1.602 7.576 689 H HIS 85 H HIS 85 16.816 3.196 8.856 690 HA HIS 85 HA HIS 85 15.202 0.823 9.405 691 1HB HIS 85 HB2 HIS 85 15.337 3.480 10.844 692 2HB HIS 85 HB3 HIS 85 14.371 2.098 11.350 693 HD1 HIS 85 HD1 HIS 85 17.762 3.511 11.525 694 HD2 HIS 85 HD2 HIS 85 15.922 -0.137 12.281 695 HE1 HIS 85 HE1 HIS 85 19.413 2.197 12.892 696 HE2 HIS 85 HE2 HIS 85 18.314 -0.040 13.262 697 H HIS 86 H HIS 86 13.767 0.693 7.734 698 HA HIS 86 HA HIS 86 11.970 2.996 7.345 699 1HB HIS 86 HB2 HIS 86 12.651 0.744 5.441 700 2HB HIS 86 HB3 HIS 86 11.446 1.990 5.130 701 HD1 HIS 86 HD1 HIS 86 14.156 3.603 6.798 702 HD2 HIS 86 HD2 HIS 86 13.450 2.323 2.908 703 HE1 HIS 86 HE1 HIS 86 15.783 4.876 5.365 704 HE2 HIS 86 HE2 HIS 86 15.387 4.032 3.026 705 H THR 87 H THR 87 9.706 2.388 6.750 706 HA THR 87 HA THR 87 8.763 -0.204 7.573 707 HB THR 87 HB THR 87 8.050 2.206 9.255 708 HG1 THR 87 HG1 THR 87 10.025 1.367 9.905 709 1HG2 THR 87 3HG2 THR 87 6.156 0.670 8.860 710 2HG2 THR 87 2HG2 THR 87 7.129 -0.659 9.491 711 3HG2 THR 87 1HG2 THR 87 6.678 0.681 10.546 712 H LEU 88 H LEU 88 6.577 -0.573 7.063 713 HA LEU 88 HA LEU 88 5.317 1.545 5.452 714 1HB LEU 88 HB2 LEU 88 6.037 -0.163 3.956 715 2HB LEU 88 HB3 LEU 88 5.406 -1.428 4.990 716 HG LEU 88 HG LEU 88 3.100 -0.492 4.535 717 1HD1 LEU 88 2HD1 LEU 88 3.838 1.727 3.800 718 2HD1 LEU 88 1HD1 LEU 88 4.578 0.998 2.374 719 3HD1 LEU 88 3HD1 LEU 88 2.830 0.930 2.592 720 1HD2 LEU 88 3HD2 LEU 88 4.031 -2.499 3.423 721 2HD2 LEU 88 2HD2 LEU 88 2.881 -1.611 2.424 722 3HD2 LEU 88 1HD2 LEU 88 4.610 -1.462 2.122 723 H GLU 89 H GLU 89 3.969 2.313 7.029 724 HA GLU 89 HA GLU 89 2.410 0.623 8.700 725 1HB GLU 89 HB2 GLU 89 2.272 3.570 8.080 726 2HB GLU 89 HB3 GLU 89 1.249 2.776 9.268 727 1HG GLU 89 HG2 GLU 89 3.115 2.175 10.588 728 2HG GLU 89 HG3 GLU 89 4.245 2.736 9.359 729 H LEU 90 H LEU 90 0.930 -0.680 7.771 730 HA LEU 90 HA LEU 90 -0.952 0.560 5.872 731 1HB LEU 90 HB2 LEU 90 -0.351 -2.377 6.240 732 2HB LEU 90 HB3 LEU 90 -1.473 -1.697 5.081 733 HG LEU 90 HG LEU 90 1.531 -1.509 5.077 734 1HD1 LEU 90 2HD1 LEU 90 -0.505 -2.579 3.132 735 2HD1 LEU 90 1HD1 LEU 90 1.220 -2.432 2.796 736 3HD1 LEU 90 3HD1 LEU 90 0.661 -3.507 4.074 737 1HD2 LEU 90 1HD2 LEU 90 0.656 0.712 4.580 738 2HD2 LEU 90 3HD2 LEU 90 1.345 -0.036 3.141 739 3HD2 LEU 90 2HD2 LEU 90 -0.406 0.027 3.349 740 H VAL 91 H VAL 91 -3.019 0.751 6.438 741 HA VAL 91 HA VAL 91 -3.963 -0.734 8.795 742 HB VAL 91 HB VAL 91 -3.293 1.511 9.504 743 1HG1 VAL 91 1HG1 VAL 91 -5.265 2.448 7.423 744 2HG1 VAL 91 3HG1 VAL 91 -4.549 3.481 8.662 745 3HG1 VAL 91 2HG1 VAL 91 -3.521 2.724 7.444 746 1HG2 VAL 91 3HG2 VAL 91 -6.282 1.117 9.476 747 2HG2 VAL 91 2HG2 VAL 91 -5.148 0.477 10.665 748 3HG2 VAL 91 1HG2 VAL 91 -5.407 2.216 10.541 749 H TYR 92 H TYR 92 -6.273 -0.855 9.000 750 HA TYR 92 HA TYR 92 -7.670 -0.810 6.417 751 1HB TYR 92 HB2 TYR 92 -7.470 -2.925 7.906 752 2HB TYR 92 HB3 TYR 92 -8.664 -2.140 8.932 753 HD1 TYR 92 HD1 TYR 92 -10.594 -3.407 8.695 754 HD2 TYR 92 HD2 TYR 92 -8.446 -2.249 5.210 755 HE1 TYR 92 HE1 TYR 92 -12.392 -4.322 7.290 756 HE2 TYR 92 HE2 TYR 92 -10.240 -3.159 3.795 757 HH TYR 92 HH TYR 92 -12.045 -4.824 3.953 758 H THR 93 H THR 93 -8.302 1.344 6.320 759 HA THR 93 HA THR 93 -10.099 2.279 8.473 760 HB THR 93 HB THR 93 -8.058 3.565 8.509 761 HG1 THR 93 HG1 THR 93 -9.910 5.221 7.155 762 1HG2 THR 93 3HG2 THR 93 -8.485 3.585 5.573 763 2HG2 THR 93 2HG2 THR 93 -7.775 5.031 6.297 764 3HG2 THR 93 1HG2 THR 93 -6.988 3.462 6.498 765 H ARG 94 H ARG 94 -11.541 4.101 7.739 766 HA ARG 94 HA ARG 94 -12.714 3.420 5.136 767 1HB ARG 94 HB2 ARG 94 -13.923 5.020 7.400 768 2HB ARG 94 HB3 ARG 94 -14.753 4.465 5.953 769 1HG ARG 94 HG2 ARG 94 -14.384 2.138 6.664 770 2HG ARG 94 HG3 ARG 94 -13.627 2.734 8.142 771 1HD ARG 94 HD2 ARG 94 -16.475 3.186 7.266 772 2HD ARG 94 HD3 ARG 94 -15.930 2.145 8.578 773 HE ARG 94 HE ARG 94 -15.006 4.744 9.060 774 1HH1 ARG 94 1HH1 ARG 94 -17.997 2.960 8.944 775 2HH1 ARG 94 2HH1 ARG 94 -18.796 3.976 10.098 776 1HH2 ARG 94 1HH2 ARG 94 -16.051 6.086 10.578 777 2HH2 ARG 94 2HH2 ARG 94 -17.690 5.752 11.026 778 HA PRO 95 HA PRO 95 -10.383 7.192 3.896 779 1HB PRO 95 HB2 PRO 95 -11.933 6.400 1.460 780 2HB PRO 95 HB3 PRO 95 -10.262 6.960 1.594 781 1HG PRO 95 HG2 PRO 95 -10.796 4.373 1.267 782 2HG PRO 95 HG3 PRO 95 -9.497 4.900 2.353 783 1HD PRO 95 HD2 PRO 95 -12.187 3.819 3.004 784 2HD PRO 95 HD3 PRO 95 -10.664 3.690 3.903 785 H PHE 96 H PHE 96 -13.779 6.432 3.224 786 HA PHE 96 HA PHE 96 -14.612 9.036 2.610 787 1HB PHE 96 HB2 PHE 96 -16.556 7.232 3.926 788 2HB PHE 96 HB3 PHE 96 -16.676 8.119 2.416 789 HD1 PHE 96 HD1 PHE 96 -14.862 7.226 0.592 790 HD2 PHE 96 HD2 PHE 96 -16.650 4.959 3.720 791 HE1 PHE 96 HE1 PHE 96 -14.438 5.156 -0.670 792 HE2 PHE 96 HE2 PHE 96 -16.229 2.886 2.463 793 HZ PHE 96 HZ PHE 96 -15.122 2.984 0.264 794 H GLU 97 H GLU 97 -14.377 7.291 5.668 795 HA GLU 97 HA GLU 97 -15.393 9.645 7.092 796 1HB GLU 97 HB2 GLU 97 -14.879 6.837 8.089 797 2HB GLU 97 HB3 GLU 97 -15.534 8.151 9.054 798 1HG GLU 97 HG2 GLU 97 -16.823 6.941 6.618 799 2HG GLU 97 HG3 GLU 97 -17.279 6.636 8.293 800 H GLY 98 H GLY 98 -13.064 7.216 8.189 801 1HA GLY 98 HA3 GLY 98 -11.478 9.117 9.563 802 2HA GLY 98 HA2 GLY 98 -10.718 8.716 8.030 803 H ILE 99 H ILE 99 -9.149 8.111 9.909 804 HA ILE 99 HA ILE 99 -9.296 5.204 10.094 805 HB ILE 99 HB ILE 99 -6.946 6.868 10.925 806 1HG1 ILE 99 2HG1 ILE 99 -7.343 5.828 8.125 807 2HG1 ILE 99 3HG1 ILE 99 -7.850 7.454 8.580 808 1HG2 ILE 99 1HG2 ILE 99 -7.475 4.028 10.184 809 2HG2 ILE 99 3HG2 ILE 99 -5.878 4.708 9.864 810 3HG2 ILE 99 2HG2 ILE 99 -6.512 4.689 11.509 811 1HD1 ILE 99 3HD1 ILE 99 -5.550 7.981 9.210 812 2HD1 ILE 99 2HD1 ILE 99 -5.050 6.355 8.749 813 3HD1 ILE 99 1HD1 ILE 99 -5.662 7.469 7.526 814 H LYS 100 H LYS 100 -8.844 4.081 12.034 815 HA LYS 100 HA LYS 100 -9.091 5.602 14.523 816 1HB LYS 100 HB2 LYS 100 -10.810 3.216 13.840 817 2HB LYS 100 HB3 LYS 100 -10.852 4.130 15.331 818 1HG LYS 100 HG2 LYS 100 -11.686 6.071 14.185 819 2HG LYS 100 HG3 LYS 100 -11.498 5.271 12.623 820 1HD LYS 100 HD2 LYS 100 -13.060 3.547 14.191 821 2HD LYS 100 HD3 LYS 100 -13.698 5.169 14.471 822 1HE LYS 100 HE2 LYS 100 -13.891 5.508 12.054 823 2HE LYS 100 HE3 LYS 100 -13.252 3.888 11.778 824 1HZ LYS 100 HZ3 LYS 100 -15.166 2.975 12.939 825 2HZ LYS 100 HZ2 LYS 100 -15.781 4.529 13.197 826 3HZ LYS 100 HZ1 LYS 100 -15.657 3.919 11.624 827 HA PRO 101 HA PRO 101 -6.188 2.709 16.144 828 1HB PRO 101 HB2 PRO 101 -7.029 2.357 18.699 829 2HB PRO 101 HB3 PRO 101 -6.284 3.857 18.135 830 1HG PRO 101 HG2 PRO 101 -9.179 3.208 18.528 831 2HG PRO 101 HG3 PRO 101 -8.298 4.689 18.942 832 1HD PRO 101 HD2 PRO 101 -9.842 4.466 16.724 833 2HD PRO 101 HD3 PRO 101 -8.405 5.505 16.799 834 H GLU 102 H GLU 102 -9.559 1.888 16.888 835 HA GLU 102 HA GLU 102 -9.149 -0.827 17.451 836 1HB GLU 102 HB2 GLU 102 -11.585 -1.065 16.938 837 2HB GLU 102 HB3 GLU 102 -11.203 0.194 18.108 838 1HG GLU 102 HG2 GLU 102 -11.367 1.868 16.352 839 2HG GLU 102 HG3 GLU 102 -11.764 0.607 15.189 840 H ASN 103 H ASN 103 -9.387 0.918 14.471 841 HA ASN 103 HA ASN 103 -10.113 -1.042 12.664 842 1HB ASN 103 HB2 ASN 103 -8.202 1.275 12.423 843 2HB ASN 103 HB3 ASN 103 -8.582 0.237 11.054 844 1HD2 ASN 103 1HD2 ASN 103 -11.005 0.831 13.437 845 2HD2 ASN 103 2HD2 ASN 103 -11.972 1.905 12.492 846 H GLU 104 H GLU 104 -8.890 -2.428 11.273 847 HA GLU 104 HA GLU 104 -7.025 -4.036 12.571 848 1HB GLU 104 HB2 GLU 104 -8.278 -3.881 9.960 849 2HB GLU 104 HB3 GLU 104 -6.626 -4.458 9.864 850 1HG GLU 104 HG2 GLU 104 -7.881 -6.392 10.113 851 2HG GLU 104 HG3 GLU 104 -7.280 -6.068 11.735 852 H ARG 105 H ARG 105 -4.805 -4.489 11.893 853 HA ARG 105 HA ARG 105 -3.379 -2.095 10.937 854 1HB ARG 105 HB2 ARG 105 -3.246 -2.300 13.416 855 2HB ARG 105 HB3 ARG 105 -2.511 -3.879 13.220 856 1HG ARG 105 HG2 ARG 105 -0.641 -2.607 13.543 857 2HG ARG 105 HG3 ARG 105 -0.775 -2.538 11.780 858 1HD ARG 105 HD2 ARG 105 -0.371 -0.322 12.660 859 2HD ARG 105 HD3 ARG 105 -1.985 -0.416 11.951 860 HE ARG 105 HE ARG 105 -2.264 -1.000 14.639 861 1HH1 ARG 105 1HH1 ARG 105 -1.204 1.691 12.694 862 2HH1 ARG 105 2HH1 ARG 105 -1.699 2.887 13.845 863 1HH2 ARG 105 1HH2 ARG 105 -2.920 0.569 16.162 864 2HH2 ARG 105 2HH2 ARG 105 -2.675 2.249 15.816 865 H TYR 106 H TYR 106 -1.190 -2.546 10.181 866 HA TYR 106 HA TYR 106 -0.126 -5.103 9.797 867 1HB TYR 106 HB2 TYR 106 -2.038 -5.330 8.225 868 2HB TYR 106 HB3 TYR 106 -1.412 -3.960 7.307 869 HD1 TYR 106 HD1 TYR 106 -0.805 -7.464 8.268 870 HD2 TYR 106 HD2 TYR 106 0.441 -4.228 5.806 871 HE1 TYR 106 HE1 TYR 106 0.589 -9.007 6.957 872 HE2 TYR 106 HE2 TYR 106 1.841 -5.761 4.488 873 HH TYR 106 HH TYR 106 2.942 -7.942 4.758 874 H THR 107 H THR 107 1.367 -3.529 10.758 875 HA THR 107 HA THR 107 2.530 -1.558 8.986 876 HB THR 107 HB THR 107 3.688 -2.320 11.648 877 HG1 THR 107 HG1 THR 107 1.902 -1.701 12.590 878 1HG2 THR 107 2HG2 THR 107 4.875 -0.686 10.274 879 2HG2 THR 107 1HG2 THR 107 3.417 0.300 10.172 880 3HG2 THR 107 3HG2 THR 107 4.220 0.071 11.726 881 H LEU 108 H LEU 108 3.567 -2.608 7.342 882 HA LEU 108 HA LEU 108 5.259 -4.867 7.751 883 1HB LEU 108 HB2 LEU 108 4.198 -4.630 5.633 884 2HB LEU 108 HB3 LEU 108 4.829 -3.015 5.419 885 HG LEU 108 HG LEU 108 7.117 -3.968 5.230 886 1HD1 LEU 108 1HD1 LEU 108 6.760 -6.013 6.509 887 2HD1 LEU 108 3HD1 LEU 108 5.669 -6.611 5.260 888 3HD1 LEU 108 2HD1 LEU 108 7.378 -6.369 4.896 889 1HD2 LEU 108 2HD2 LEU 108 5.794 -3.475 3.242 890 2HD2 LEU 108 1HD2 LEU 108 6.824 -4.885 2.994 891 3HD2 LEU 108 3HD2 LEU 108 5.100 -5.094 3.297 892 H HIS 109 H HIS 109 6.726 -4.189 9.356 893 HA HIS 109 HA HIS 109 8.448 -1.938 8.933 894 1HB HIS 109 HB2 HIS 109 8.334 -4.141 10.944 895 2HB HIS 109 HB3 HIS 109 9.731 -3.078 10.868 896 HD1 HIS 109 HD1 HIS 109 9.516 -0.837 11.975 897 HD2 HIS 109 HD2 HIS 109 5.868 -2.785 11.574 898 HE1 HIS 109 HE1 HIS 109 7.866 0.558 13.261 899 HE2 HIS 109 HE2 HIS 109 5.649 -0.593 12.934 900 H LEU 110 H LEU 110 10.515 -1.894 8.238 901 HA LEU 110 HA LEU 110 11.812 -4.348 7.365 902 1HB LEU 110 HB2 LEU 110 11.167 -2.052 5.516 903 2HB LEU 110 HB3 LEU 110 12.250 -3.369 5.115 904 HG LEU 110 HG LEU 110 9.309 -3.694 5.746 905 1HD1 LEU 110 1HD1 LEU 110 10.741 -3.645 3.092 906 2HD1 LEU 110 3HD1 LEU 110 9.049 -4.082 3.334 907 3HD1 LEU 110 2HD1 LEU 110 9.597 -2.443 3.690 908 1HD2 LEU 110 1HD2 LEU 110 10.849 -5.641 6.191 909 2HD2 LEU 110 3HD2 LEU 110 9.540 -5.940 5.048 910 3HD2 LEU 110 2HD2 LEU 110 11.179 -5.666 4.459 911 H ASN 111 H ASN 111 13.613 -4.086 8.610 912 HA ASN 111 HA ASN 111 14.941 -1.540 8.823 913 1HB ASN 111 HB2 ASN 111 15.007 -3.093 10.713 914 2HB ASN 111 HB3 ASN 111 15.798 -4.306 9.714 915 1HD2 ASN 111 1HD2 ASN 111 17.585 -4.428 11.042 916 2HD2 ASN 111 2HD2 ASN 111 18.763 -3.167 11.134 917 H VAL 112 H VAL 112 15.070 -1.319 6.481 918 HA VAL 112 HA VAL 112 16.380 -2.920 4.691 919 HB VAL 112 HB VAL 112 16.855 0.026 4.525 920 1HG1 VAL 112 3HG1 VAL 112 17.583 -1.512 2.738 921 2HG1 VAL 112 2HG1 VAL 112 15.902 -2.004 2.515 922 3HG1 VAL 112 1HG1 VAL 112 16.385 -0.340 2.184 923 1HG2 VAL 112 1HG2 VAL 112 14.171 -1.323 4.370 924 2HG2 VAL 112 3HG2 VAL 112 14.642 0.061 5.357 925 3HG2 VAL 112 2HG2 VAL 112 14.508 0.230 3.607 926 H LYS 113 H LYS 113 18.443 -3.351 4.119 927 HA LYS 113 HA LYS 113 20.520 -2.677 6.013 928 1HB LYS 113 HB2 LYS 113 20.567 -4.383 3.518 929 2HB LYS 113 HB3 LYS 113 21.898 -4.226 4.655 930 1HG LYS 113 HG2 LYS 113 19.172 -5.265 5.388 931 2HG LYS 113 HG3 LYS 113 20.537 -6.286 4.935 932 1HD LYS 113 HD2 LYS 113 21.828 -5.421 6.812 933 2HD LYS 113 HD3 LYS 113 20.493 -4.352 7.250 934 1HE LYS 113 HE2 LYS 113 19.069 -6.286 7.671 935 2HE LYS 113 HE3 LYS 113 20.384 -7.365 7.207 936 1HZ LYS 113 HZ1 LYS 113 20.425 -5.484 9.505 937 2HZ LYS 113 HZ3 LYS 113 20.209 -7.160 9.606 938 3HZ LYS 113 HZ2 LYS 113 21.681 -6.527 9.064 No H/Q in entry = 938 Start of MODEL 12 1 H1 GLY -2 HT2 GLY -2 -15.096 -21.649 18.237 2 H2 GLY -2 HT1 GLY -2 -15.976 -22.626 19.301 3 H3 GLY -2 HT3 GLY -2 -16.784 -21.542 18.283 4 1HA GLY -2 HA2 GLY -2 -16.714 -20.680 20.531 5 2HA GLY -2 HA3 GLY -2 -15.799 -19.666 19.426 6 H SER -1 H SER -1 -15.216 -22.600 21.372 7 HA SER -1 HA SER -1 -12.968 -21.255 22.659 8 1HB SER -1 HB2 SER -1 -14.262 -23.930 23.242 9 2HB SER -1 HB3 SER -1 -12.978 -23.191 24.197 10 HG SER -1 HG SER -1 -15.519 -22.859 24.542 11 H HIS 0 H HIS 0 -13.668 -23.955 20.530 12 HA HIS 0 HA HIS 0 -11.063 -25.092 20.586 13 1HB HIS 0 HB2 HIS 0 -13.038 -26.372 19.874 14 2HB HIS 0 HB3 HIS 0 -13.223 -25.315 18.478 15 HD1 HIS 0 HD1 HIS 0 -11.910 -25.893 16.419 16 HD2 HIS 0 HD2 HIS 0 -10.681 -28.043 19.756 17 HE1 HIS 0 HE1 HIS 0 -10.297 -27.617 15.552 18 HE2 HIS 0 HE2 HIS 0 -9.506 -28.854 17.600 19 H MET 1 H MET 1 -12.703 -22.876 18.350 20 HA MET 1 HA MET 1 -10.182 -22.448 16.927 21 1HB MET 1 HB2 MET 1 -12.979 -21.492 16.290 22 2HB MET 1 HB3 MET 1 -11.561 -21.229 15.284 23 1HG MET 1 HG2 MET 1 -11.330 -23.637 14.973 24 2HG MET 1 HG3 MET 1 -12.747 -23.905 15.987 25 1HE MET 1 HE2 MET 1 -13.826 -25.379 14.054 26 2HE MET 1 HE1 MET 1 -14.038 -24.815 12.397 27 3HE MET 1 HE3 MET 1 -12.417 -25.095 13.033 28 H ILE 2 H ILE 2 -9.482 -20.262 16.444 29 HA ILE 2 HA ILE 2 -9.684 -18.565 18.775 30 HB ILE 2 HB ILE 2 -8.140 -18.113 16.218 31 1HG1 ILE 2 2HG1 ILE 2 -7.184 -19.212 18.871 32 2HG1 ILE 2 3HG1 ILE 2 -7.492 -20.186 17.438 33 1HG2 ILE 2 3HG2 ILE 2 -8.541 -16.060 17.462 34 2HG2 ILE 2 2HG2 ILE 2 -7.906 -16.809 18.927 35 3HG2 ILE 2 1HG2 ILE 2 -6.841 -16.520 17.551 36 1HD1 ILE 2 1HD1 ILE 2 -5.741 -18.978 16.243 37 2HD1 ILE 2 3HD1 ILE 2 -5.427 -18.012 17.685 38 3HD1 ILE 2 2HD1 ILE 2 -5.126 -19.751 17.704 39 H ALA 3 H ALA 3 -10.743 -18.541 15.428 40 HA ALA 3 HA ALA 3 -12.159 -17.197 14.260 41 1HB ALA 3 HB3 ALA 3 -13.708 -17.854 16.039 42 2HB ALA 3 HB2 ALA 3 -13.187 -16.471 17.001 43 3HB ALA 3 HB1 ALA 3 -14.027 -16.215 15.471 44 HA PRO 4 HA PRO 4 -9.348 -13.561 14.694 45 1HB PRO 4 HB2 PRO 4 -10.075 -13.411 11.819 46 2HB PRO 4 HB3 PRO 4 -8.486 -13.314 12.585 47 1HG PRO 4 HG2 PRO 4 -9.235 -15.503 11.260 48 2HG PRO 4 HG3 PRO 4 -8.280 -15.617 12.750 49 1HD PRO 4 HD2 PRO 4 -11.202 -16.094 12.327 50 2HD PRO 4 HD3 PRO 4 -10.055 -16.968 13.362 51 H LEU 5 H LEU 5 -10.359 -11.898 15.629 52 HA LEU 5 HA LEU 5 -12.500 -10.555 14.136 53 1HB LEU 5 HB2 LEU 5 -12.548 -11.185 17.088 54 2HB LEU 5 HB3 LEU 5 -13.690 -10.133 16.276 55 HG LEU 5 HG LEU 5 -13.331 -13.075 15.690 56 1HD1 LEU 5 3HD1 LEU 5 -15.495 -11.633 17.215 57 2HD1 LEU 5 2HD1 LEU 5 -15.501 -13.343 16.788 58 3HD1 LEU 5 1HD1 LEU 5 -14.284 -12.716 17.899 59 1HD2 LEU 5 1HD2 LEU 5 -15.370 -11.085 14.704 60 2HD2 LEU 5 3HD2 LEU 5 -14.088 -11.826 13.747 61 3HD2 LEU 5 2HD2 LEU 5 -15.394 -12.820 14.392 62 H SER 6 H SER 6 -10.709 -10.160 17.200 63 HA SER 6 HA SER 6 -10.086 -7.405 16.361 64 1HB SER 6 HB2 SER 6 -11.513 -7.490 18.352 65 2HB SER 6 HB3 SER 6 -10.340 -8.527 19.163 66 HG SER 6 HG SER 6 -9.974 -5.840 18.335 67 H VAL 7 H VAL 7 -8.819 -10.352 17.798 68 HA VAL 7 HA VAL 7 -6.140 -9.255 18.009 69 HB VAL 7 HB VAL 7 -7.137 -12.062 18.524 70 1HG1 VAL 7 1HG1 VAL 7 -4.482 -10.773 19.150 71 2HG1 VAL 7 3HG1 VAL 7 -4.998 -12.365 19.708 72 3HG1 VAL 7 2HG1 VAL 7 -4.775 -12.064 17.984 73 1HG2 VAL 7 3HG2 VAL 7 -8.114 -10.438 20.053 74 2HG2 VAL 7 2HG2 VAL 7 -6.951 -11.464 20.893 75 3HG2 VAL 7 1HG2 VAL 7 -6.509 -9.818 20.439 76 H LYS 8 H LYS 8 -4.547 -9.504 16.565 77 HA LYS 8 HA LYS 8 -4.276 -11.664 14.787 78 1HB LYS 8 HB2 LYS 8 -6.215 -10.605 13.682 79 2HB LYS 8 HB3 LYS 8 -5.301 -9.113 13.527 80 1HG LYS 8 HG2 LYS 8 -5.281 -10.269 11.430 81 2HG LYS 8 HG3 LYS 8 -3.658 -10.307 12.122 82 1HD LYS 8 HD2 LYS 8 -4.049 -12.582 12.926 83 2HD LYS 8 HD3 LYS 8 -5.678 -12.546 12.248 84 1HE LYS 8 HE2 LYS 8 -4.149 -13.740 10.775 85 2HE LYS 8 HE3 LYS 8 -4.745 -12.269 10.008 86 1HZ LYS 8 HZ2 LYS 8 -2.672 -11.169 10.589 87 2HZ LYS 8 HZ1 LYS 8 -2.100 -12.582 11.323 88 3HZ LYS 8 HZ3 LYS 8 -2.376 -12.547 9.654 89 H ASP 9 H ASP 9 -2.239 -11.722 14.037 90 HA ASP 9 HA ASP 9 -0.440 -9.626 14.863 91 1HB ASP 9 HB2 ASP 9 0.129 -12.055 15.055 92 2HB ASP 9 HB3 ASP 9 0.187 -12.134 13.297 93 H ASN 10 H ASN 10 0.013 -7.916 13.658 94 HA ASN 10 HA ASN 10 -0.154 -8.166 10.737 95 1HB ASN 10 HB2 ASN 10 -0.435 -5.500 11.175 96 2HB ASN 10 HB3 ASN 10 -1.772 -6.622 10.954 97 1HD2 ASN 10 1HD2 ASN 10 -0.035 -4.616 13.144 98 2HD2 ASN 10 2HD2 ASN 10 -1.104 -4.781 14.492 99 H ASP 11 H ASP 11 0.973 -5.420 12.537 100 HA ASP 11 HA ASP 11 3.058 -4.618 11.127 101 1HB ASP 11 HB2 ASP 11 4.163 -4.044 13.422 102 2HB ASP 11 HB3 ASP 11 2.631 -3.301 12.978 103 H LYS 12 H LYS 12 4.360 -5.980 10.086 104 HA LYS 12 HA LYS 12 5.732 -8.107 11.507 105 1HB LYS 12 HB2 LYS 12 4.975 -8.791 9.389 106 2HB LYS 12 HB3 LYS 12 5.512 -7.305 8.618 107 1HG LYS 12 HG2 LYS 12 7.806 -7.963 8.830 108 2HG LYS 12 HG3 LYS 12 7.351 -9.400 9.748 109 1HD LYS 12 HD2 LYS 12 6.207 -10.315 7.829 110 2HD LYS 12 HD3 LYS 12 6.505 -8.840 6.907 111 1HE LYS 12 HE2 LYS 12 8.905 -9.242 7.022 112 2HE LYS 12 HE3 LYS 12 8.625 -10.701 7.972 113 1HZ LYS 12 HZ3 LYS 12 7.703 -10.249 5.185 114 2HZ LYS 12 HZ2 LYS 12 9.009 -11.220 5.646 115 3HZ LYS 12 HZ1 LYS 12 7.437 -11.651 6.094 116 H TRP 13 H TRP 13 7.288 -7.290 12.782 117 HA TRP 13 HA TRP 13 9.010 -5.147 11.945 118 1HB TRP 13 HB2 TRP 13 9.464 -6.830 14.382 119 2HB TRP 13 HB3 TRP 13 9.749 -5.111 14.146 120 HD1 TRP 13 HD1 TRP 13 6.872 -7.581 14.779 121 HE1 TRP 13 HE1 TRP 13 4.868 -6.286 15.740 122 HE3 TRP 13 HE3 TRP 13 8.717 -2.827 14.402 123 HZ2 TRP 13 HZ2 TRP 13 4.149 -3.602 16.261 124 HZ3 TRP 13 HZ3 TRP 13 7.313 -0.956 15.163 125 HH2 TRP 13 HH2 TRP 13 5.083 -1.336 16.077 126 H VAL 14 H VAL 14 10.485 -5.628 10.391 127 HA VAL 14 HA VAL 14 12.478 -7.652 11.034 128 HB VAL 14 HB VAL 14 10.533 -8.772 9.766 129 1HG1 VAL 14 3HG1 VAL 14 11.845 -7.285 7.506 130 2HG1 VAL 14 2HG1 VAL 14 10.734 -8.639 7.303 131 3HG1 VAL 14 1HG1 VAL 14 10.174 -7.142 8.048 132 1HG2 VAL 14 3HG2 VAL 14 13.044 -9.494 10.085 133 2HG2 VAL 14 2HG2 VAL 14 11.943 -10.404 9.053 134 3HG2 VAL 14 1HG2 VAL 14 13.081 -9.265 8.337 135 H ASP 15 H ASP 15 13.964 -7.857 8.973 136 HA ASP 15 HA ASP 15 14.796 -5.123 8.331 137 1HB ASP 15 HB2 ASP 15 16.175 -7.755 8.608 138 2HB ASP 15 HB3 ASP 15 16.907 -6.526 7.576 139 H THR 16 H THR 16 16.235 -5.316 6.091 140 HA THR 16 HA THR 16 15.158 -6.940 4.043 141 HB THR 16 HB THR 16 13.232 -5.314 4.587 142 HG1 THR 16 HG1 THR 16 13.874 -6.564 2.467 143 1HG2 THR 16 1HG2 THR 16 14.636 -3.281 4.650 144 2HG2 THR 16 3HG2 THR 16 14.948 -3.477 2.926 145 3HG2 THR 16 2HG2 THR 16 13.310 -3.159 3.493 146 H HIS 17 H HIS 17 15.478 -5.614 1.797 147 HA HIS 17 HA HIS 17 18.208 -4.512 1.910 148 1HB HIS 17 HB2 HIS 17 16.876 -6.410 0.035 149 2HB HIS 17 HB3 HIS 17 18.096 -5.327 -0.621 150 HD1 HIS 17 HD1 HIS 17 20.492 -5.981 -0.269 151 HD2 HIS 17 HD2 HIS 17 17.880 -8.171 2.107 152 HE1 HIS 17 HE1 HIS 17 21.897 -7.772 0.800 153 HE2 HIS 17 HE2 HIS 17 20.279 -9.135 2.167 154 H VAL 18 H VAL 18 18.402 -3.512 -0.654 155 HA VAL 18 HA VAL 18 16.660 -1.190 -0.430 156 HB VAL 18 HB VAL 18 18.957 -1.640 -2.337 157 1HG1 VAL 18 3HG1 VAL 18 17.437 0.857 -1.582 158 2HG1 VAL 18 2HG1 VAL 18 18.888 0.814 -2.583 159 3HG1 VAL 18 1HG1 VAL 18 17.406 0.039 -3.144 160 1HG2 VAL 18 3HG2 VAL 18 19.710 -1.697 -0.019 161 2HG2 VAL 18 2HG2 VAL 18 20.251 -0.221 -0.818 162 3HG2 VAL 18 1HG2 VAL 18 18.886 -0.169 0.297 163 H GLY 19 H GLY 19 14.989 -0.769 -1.667 164 1HA GLY 19 HA3 GLY 19 14.701 -1.332 -4.388 165 2HA GLY 19 HA2 GLY 19 13.395 -0.935 -3.290 166 H LYS 20 H LYS 20 14.366 -3.484 -1.742 167 HA LYS 20 HA LYS 20 13.796 -5.674 -3.418 168 1HB LYS 20 HB2 LYS 20 14.680 -5.398 -0.849 169 2HB LYS 20 HB3 LYS 20 13.048 -5.978 -0.588 170 1HG LYS 20 HG2 LYS 20 14.314 -7.914 -0.653 171 2HG LYS 20 HG3 LYS 20 13.636 -7.808 -2.282 172 1HD LYS 20 HD2 LYS 20 15.659 -7.036 -3.186 173 2HD LYS 20 HD3 LYS 20 16.296 -6.639 -1.596 174 1HE LYS 20 HE2 LYS 20 15.762 -9.416 -2.645 175 2HE LYS 20 HE3 LYS 20 17.347 -8.656 -2.504 176 1HZ LYS 20 HZ3 LYS 20 17.038 -8.543 -0.110 177 2HZ LYS 20 HZ2 LYS 20 15.520 -9.275 -0.246 178 3HZ LYS 20 HZ1 LYS 20 16.916 -10.141 -0.654 179 H THR 21 H THR 21 11.990 -5.041 -4.620 180 HA THR 21 HA THR 21 9.580 -4.071 -3.780 181 HB THR 21 HB THR 21 9.746 -6.205 -5.897 182 HG1 THR 21 HG1 THR 21 11.307 -4.892 -6.612 183 1HG2 THR 21 1HG2 THR 21 7.518 -5.356 -5.337 184 2HG2 THR 21 3HG2 THR 21 8.071 -3.705 -5.619 185 3HG2 THR 21 2HG2 THR 21 7.999 -4.852 -6.958 186 H THR 22 H THR 22 8.627 -4.795 -1.970 187 HA THR 22 HA THR 22 8.167 -7.666 -1.642 188 HB THR 22 HB THR 22 7.728 -5.348 0.256 189 HG1 THR 22 HG1 THR 22 9.361 -7.107 1.276 190 1HG2 THR 22 3HG2 THR 22 6.032 -7.077 0.633 191 2HG2 THR 22 2HG2 THR 22 7.298 -8.300 0.737 192 3HG2 THR 22 1HG2 THR 22 7.196 -7.028 1.957 193 H GLU 23 H GLU 23 6.542 -8.234 -2.934 194 HA GLU 23 HA GLU 23 4.178 -6.645 -3.256 195 1HB GLU 23 HB2 GLU 23 5.190 -7.991 -5.077 196 2HB GLU 23 HB3 GLU 23 4.791 -9.451 -4.182 197 1HG GLU 23 HG2 GLU 23 2.460 -9.057 -4.416 198 2HG GLU 23 HG3 GLU 23 2.752 -7.441 -5.059 199 H ILE 24 H ILE 24 2.316 -6.836 -2.208 200 HA ILE 24 HA ILE 24 1.787 -9.263 -0.653 201 HB ILE 24 HB ILE 24 1.418 -6.479 0.425 202 1HG1 ILE 24 2HG1 ILE 24 3.472 -8.580 1.125 203 2HG1 ILE 24 3HG1 ILE 24 3.792 -7.062 0.297 204 1HG2 ILE 24 3HG2 ILE 24 -0.230 -8.108 1.220 205 2HG2 ILE 24 2HG2 ILE 24 1.078 -9.168 1.747 206 3HG2 ILE 24 1HG2 ILE 24 0.852 -7.597 2.516 207 1HD1 ILE 24 2HD1 ILE 24 2.790 -7.339 3.119 208 2HD1 ILE 24 1HD1 ILE 24 4.442 -6.961 2.634 209 3HD1 ILE 24 3HD1 ILE 24 3.139 -5.826 2.284 210 H HIS 25 H HIS 25 0.085 -9.995 -1.758 211 HA HIS 25 HA HIS 25 -2.035 -8.224 -2.611 212 1HB HIS 25 HB2 HIS 25 -2.314 -11.192 -2.663 213 2HB HIS 25 HB3 HIS 25 -2.861 -10.001 -3.830 214 HD1 HIS 25 HD1 HIS 25 -0.391 -12.537 -3.436 215 HD2 HIS 25 HD2 HIS 25 -0.507 -8.813 -5.272 216 HE1 HIS 25 HE1 HIS 25 1.504 -12.544 -5.087 217 HE2 HIS 25 HE2 HIS 25 1.315 -10.340 -6.290 218 H LEU 26 H LEU 26 -3.334 -7.499 -1.056 219 HA LEU 26 HA LEU 26 -4.098 -9.310 1.130 220 1HB LEU 26 HB2 LEU 26 -4.486 -6.331 0.978 221 2HB LEU 26 HB3 LEU 26 -4.690 -7.348 2.389 222 HG LEU 26 HG LEU 26 -2.001 -7.194 1.089 223 1HD1 LEU 26 2HD1 LEU 26 -2.695 -4.869 1.306 224 2HD1 LEU 26 1HD1 LEU 26 -3.119 -5.143 2.996 225 3HD1 LEU 26 3HD1 LEU 26 -1.437 -5.263 2.478 226 1HD2 LEU 26 1HD2 LEU 26 -2.577 -8.778 2.966 227 2HD2 LEU 26 3HD2 LEU 26 -1.203 -7.712 3.259 228 3HD2 LEU 26 2HD2 LEU 26 -2.766 -7.358 3.997 229 H LYS 27 H LYS 27 -6.259 -9.678 1.585 230 HA LYS 27 HA LYS 27 -8.078 -9.016 -0.604 231 1HB LYS 27 HB2 LYS 27 -8.468 -10.966 1.664 232 2HB LYS 27 HB3 LYS 27 -9.514 -10.773 0.268 233 1HG LYS 27 HG2 LYS 27 -8.014 -11.764 -1.171 234 2HG LYS 27 HG3 LYS 27 -6.630 -11.440 -0.131 235 1HD LYS 27 HD2 LYS 27 -7.014 -13.757 0.044 236 2HD LYS 27 HD3 LYS 27 -7.694 -13.066 1.517 237 1HE LYS 27 HE2 LYS 27 -9.316 -13.691 -0.942 238 2HE LYS 27 HE3 LYS 27 -9.112 -14.810 0.404 239 1HZ LYS 27 HZ3 LYS 27 -10.066 -13.070 1.862 240 2HZ LYS 27 HZ2 LYS 27 -10.396 -12.136 0.491 241 3HZ LYS 27 HZ1 LYS 27 -11.150 -13.635 0.691 242 H GLY 28 H GLY 28 -10.342 -8.519 -0.022 243 1HA GLY 28 HA3 GLY 28 -10.334 -6.333 1.880 244 2HA GLY 28 HA2 GLY 28 -11.401 -7.662 2.292 245 H ASN 29 H ASN 29 -12.264 -5.018 1.790 246 HA ASN 29 HA ASN 29 -13.195 -4.656 -0.852 247 1HB ASN 29 HB2 ASN 29 -14.559 -6.665 -0.106 248 2HB ASN 29 HB3 ASN 29 -15.343 -5.593 1.050 249 1HD2 ASN 29 1HD2 ASN 29 -16.625 -3.880 0.270 250 2HD2 ASN 29 2HD2 ASN 29 -17.301 -3.925 -1.319 251 HA PRO 30 HA PRO 30 -13.781 -0.730 1.169 252 1HB PRO 30 HB2 PRO 30 -14.492 0.735 -0.959 253 2HB PRO 30 HB3 PRO 30 -12.850 0.109 -0.771 254 1HG PRO 30 HG2 PRO 30 -15.096 -0.925 -2.455 255 2HG PRO 30 HG3 PRO 30 -13.375 -0.784 -2.850 256 1HD PRO 30 HD2 PRO 30 -14.597 -3.116 -2.043 257 2HD PRO 30 HD3 PRO 30 -12.865 -2.779 -1.859 258 H THR 31 H THR 31 -16.314 -1.625 -1.193 259 HA THR 31 HA THR 31 -18.308 -0.017 0.049 260 HB THR 31 HB THR 31 -19.899 -1.160 -1.441 261 HG1 THR 31 HG1 THR 31 -18.954 -3.244 -1.429 262 1HG2 THR 31 3HG2 THR 31 -17.314 -0.383 -2.796 263 2HG2 THR 31 2HG2 THR 31 -18.895 -0.476 -3.573 264 3HG2 THR 31 1HG2 THR 31 -18.603 0.720 -2.309 265 H THR 32 H THR 32 -16.870 -2.672 1.235 266 HA THR 32 HA THR 32 -19.330 -3.699 2.487 267 HB THR 32 HB THR 32 -16.667 -5.062 2.075 268 HG1 THR 32 HG1 THR 32 -18.435 -6.558 1.068 269 1HG2 THR 32 1HG2 THR 32 -19.122 -6.043 3.535 270 2HG2 THR 32 3HG2 THR 32 -17.724 -7.035 3.117 271 3HG2 THR 32 2HG2 THR 32 -17.547 -5.695 4.249 272 H GLY 33 H GLY 33 -15.872 -3.170 3.210 273 1HA GLY 33 HA3 GLY 33 -15.330 -3.450 5.669 274 2HA GLY 33 HA2 GLY 33 -16.694 -2.376 5.931 275 H TYR 34 H TYR 34 -13.374 -2.579 5.468 276 HA TYR 34 HA TYR 34 -13.206 0.342 5.115 277 1HB TYR 34 HB2 TYR 34 -11.249 -1.475 6.536 278 2HB TYR 34 HB3 TYR 34 -11.147 0.275 6.428 279 HD1 TYR 34 HD1 TYR 34 -13.828 -2.158 7.428 280 HD2 TYR 34 HD2 TYR 34 -11.564 1.307 8.443 281 HE1 TYR 34 HE1 TYR 34 -15.080 -1.959 9.533 282 HE2 TYR 34 HE2 TYR 34 -12.817 1.511 10.546 283 HH TYR 34 HH TYR 34 -14.799 -0.963 11.757 284 H MET 35 H MET 35 -10.558 0.646 4.656 285 HA MET 35 HA MET 35 -10.068 -0.790 2.146 286 1HB MET 35 HB2 MET 35 -10.382 1.399 1.434 287 2HB MET 35 HB3 MET 35 -9.748 2.080 2.927 288 1HG MET 35 HG2 MET 35 -7.487 1.332 2.245 289 2HG MET 35 HG3 MET 35 -8.169 0.813 0.719 290 1HE MET 35 HE3 MET 35 -10.167 2.832 -0.173 291 2HE MET 35 HE2 MET 35 -9.279 4.147 -0.942 292 3HE MET 35 HE1 MET 35 -8.841 2.473 -1.278 293 H TRP 36 H TRP 36 -7.881 -1.260 1.661 294 HA TRP 36 HA TRP 36 -6.139 -1.310 4.028 295 1HB TRP 36 HB2 TRP 36 -6.706 -3.267 1.904 296 2HB TRP 36 HB3 TRP 36 -5.017 -3.097 2.341 297 HD1 TRP 36 HD1 TRP 36 -7.894 -5.099 3.215 298 HE1 TRP 36 HE1 TRP 36 -7.661 -6.146 5.554 299 HE3 TRP 36 HE3 TRP 36 -4.029 -2.267 4.980 300 HZ2 TRP 36 HZ2 TRP 36 -6.047 -5.811 7.847 301 HZ3 TRP 36 HZ3 TRP 36 -3.198 -2.693 7.250 302 HH2 TRP 36 HH2 TRP 36 -4.190 -4.426 8.654 303 H THR 37 H THR 37 -5.201 0.696 3.702 304 HA THR 37 HA THR 37 -3.340 0.808 1.425 305 HB THR 37 HB THR 37 -5.308 2.261 0.950 306 HG1 THR 37 HG1 THR 37 -3.296 2.851 0.080 307 1HG2 THR 37 2HG2 THR 37 -4.333 3.769 3.381 308 2HG2 THR 37 1HG2 THR 37 -5.571 4.330 2.256 309 3HG2 THR 37 3HG2 THR 37 -5.858 2.894 3.239 310 H ARG 38 H ARG 38 -2.095 3.265 2.104 311 HA ARG 38 HA ARG 38 -0.704 2.420 4.518 312 1HB ARG 38 HB2 ARG 38 -0.023 4.102 2.185 313 2HB ARG 38 HB3 ARG 38 0.668 4.603 3.713 314 1HG ARG 38 HG2 ARG 38 1.802 2.575 3.997 315 2HG ARG 38 HG3 ARG 38 0.918 1.822 2.667 316 1HD ARG 38 HD2 ARG 38 3.263 2.552 2.158 317 2HD ARG 38 HD3 ARG 38 2.044 3.119 1.054 318 HE ARG 38 HE ARG 38 2.275 5.295 2.028 319 1HH1 ARG 38 1HH1 ARG 38 4.600 2.942 3.120 320 2HH1 ARG 38 2HH1 ARG 38 5.783 4.124 3.572 321 1HH2 ARG 38 1HH2 ARG 38 3.846 6.862 2.599 322 2HH2 ARG 38 2HH2 ARG 38 5.353 6.348 3.280 323 H VAL 39 H VAL 39 -0.191 3.916 6.229 324 HA VAL 39 HA VAL 39 -2.477 5.430 7.040 325 HB VAL 39 HB VAL 39 0.237 5.322 8.363 326 1HG1 VAL 39 2HG1 VAL 39 -2.491 6.021 9.444 327 2HG1 VAL 39 1HG1 VAL 39 -1.011 5.899 10.395 328 3HG1 VAL 39 3HG1 VAL 39 -1.162 7.144 9.156 329 1HG2 VAL 39 2HG2 VAL 39 -0.978 3.093 7.917 330 2HG2 VAL 39 1HG2 VAL 39 -0.398 3.427 9.551 331 3HG2 VAL 39 3HG2 VAL 39 -2.107 3.635 9.157 332 H GLY 40 H GLY 40 -2.829 7.572 6.967 333 1HA GLY 40 HA3 GLY 40 -0.650 9.450 6.645 334 2HA GLY 40 HA2 GLY 40 -2.355 9.844 6.809 335 H PHE 41 H PHE 41 -2.366 7.566 4.531 336 HA PHE 41 HA PHE 41 -2.189 9.536 2.354 337 1HB PHE 41 HB2 PHE 41 -1.303 6.652 2.169 338 2HB PHE 41 HB3 PHE 41 -1.188 7.869 0.902 339 HD1 PHE 41 HD1 PHE 41 0.294 9.890 1.333 340 HD2 PHE 41 HD2 PHE 41 0.390 6.371 3.716 341 HE1 PHE 41 HE1 PHE 41 2.513 10.535 2.182 342 HE2 PHE 41 HE2 PHE 41 2.610 7.005 4.572 343 HZ PHE 41 HZ PHE 41 3.673 9.091 3.806 344 H VAL 42 H VAL 42 -4.079 7.539 4.085 345 HA VAL 42 HA VAL 42 -5.639 6.103 2.310 346 HB VAL 42 HB VAL 42 -6.712 7.562 4.724 347 1HG1 VAL 42 2HG1 VAL 42 -8.346 6.485 3.205 348 2HG1 VAL 42 1HG1 VAL 42 -7.539 4.943 3.493 349 3HG1 VAL 42 3HG1 VAL 42 -8.324 5.791 4.825 350 1HG2 VAL 42 2HG2 VAL 42 -4.559 6.257 5.092 351 2HG2 VAL 42 1HG2 VAL 42 -5.935 5.844 6.113 352 3HG2 VAL 42 3HG2 VAL 42 -5.512 4.814 4.748 353 H GLY 43 H GLY 43 -6.770 6.718 0.599 354 1HA GLY 43 HA3 GLY 43 -8.277 9.233 0.704 355 2HA GLY 43 HA2 GLY 43 -8.554 7.911 -0.421 356 H LYS 44 H LYS 44 -5.355 9.111 0.235 357 HA LYS 44 HA LYS 44 -5.213 10.990 -1.878 358 1HB LYS 44 HB2 LYS 44 -3.025 9.493 -0.426 359 2HB LYS 44 HB3 LYS 44 -2.771 10.865 -1.487 360 1HG LYS 44 HG2 LYS 44 -4.211 12.218 0.043 361 2HG LYS 44 HG3 LYS 44 -4.212 10.840 1.149 362 1HD LYS 44 HD2 LYS 44 -1.769 10.946 1.278 363 2HD LYS 44 HD3 LYS 44 -1.771 12.326 0.179 364 1HE LYS 44 HE2 LYS 44 -3.069 12.231 2.897 365 2HE LYS 44 HE3 LYS 44 -1.549 13.035 2.508 366 1HZ LYS 44 HZ2 LYS 44 -2.751 14.495 1.004 367 2HZ LYS 44 HZ1 LYS 44 -4.209 13.724 1.380 368 3HZ LYS 44 HZ3 LYS 44 -3.383 14.601 2.569 369 H ASP 45 H ASP 45 -3.448 10.691 -3.621 370 HA ASP 45 HA ASP 45 -4.224 8.475 -5.247 371 1HB ASP 45 HB2 ASP 45 -2.276 10.745 -5.602 372 2HB ASP 45 HB3 ASP 45 -2.491 9.491 -6.813 373 H VAL 46 H VAL 46 -1.028 9.603 -4.169 374 HA VAL 46 HA VAL 46 -0.064 6.826 -4.309 375 HB VAL 46 HB VAL 46 1.103 8.526 -5.714 376 1HG1 VAL 46 3HG1 VAL 46 0.903 10.437 -4.222 377 2HG1 VAL 46 2HG1 VAL 46 1.961 9.648 -3.052 378 3HG1 VAL 46 1HG1 VAL 46 2.592 10.132 -4.627 379 1HG2 VAL 46 3HG2 VAL 46 2.750 7.246 -3.535 380 2HG2 VAL 46 2HG2 VAL 46 2.234 6.482 -5.039 381 3HG2 VAL 46 1HG2 VAL 46 3.370 7.830 -5.080 382 H LEU 47 H LEU 47 0.929 5.878 -2.603 383 HA LEU 47 HA LEU 47 0.505 7.132 -0.008 384 1HB LEU 47 HB2 LEU 47 1.580 4.377 -0.391 385 2HB LEU 47 HB3 LEU 47 0.610 5.008 0.922 386 HG LEU 47 HG LEU 47 -0.388 4.440 -1.871 387 1HD1 LEU 47 3HD1 LEU 47 -0.830 2.951 0.713 388 2HD1 LEU 47 2HD1 LEU 47 -1.611 2.595 -0.828 389 3HD1 LEU 47 1HD1 LEU 47 0.134 2.397 -0.656 390 1HD2 LEU 47 2HD2 LEU 47 -1.862 5.309 0.609 391 2HD2 LEU 47 1HD2 LEU 47 -1.596 6.275 -0.842 392 3HD2 LEU 47 3HD2 LEU 47 -2.610 4.832 -0.915 393 H SER 48 H SER 48 3.070 5.424 -1.745 394 HA SER 48 HA SER 48 5.193 5.833 -0.050 395 1HB SER 48 HB2 SER 48 6.596 5.398 -1.942 396 2HB SER 48 HB3 SER 48 5.133 4.446 -2.150 397 HG SER 48 HG SER 48 5.254 5.387 -4.059 398 H ASP 49 H ASP 49 7.214 7.211 -0.940 399 HA ASP 49 HA ASP 49 6.502 9.861 -1.827 400 1HB ASP 49 HB2 ASP 49 7.355 9.358 1.019 401 2HB ASP 49 HB3 ASP 49 7.589 10.917 0.235 402 H GLU 50 H GLU 50 9.178 9.242 0.324 403 HA GLU 50 HA GLU 50 11.022 9.210 -1.966 404 1HB GLU 50 HB2 GLU 50 12.511 10.697 -0.754 405 2HB GLU 50 HB3 GLU 50 10.923 11.438 -0.920 406 1HG GLU 50 HG2 GLU 50 10.376 10.811 1.366 407 2HG GLU 50 HG3 GLU 50 11.963 10.062 1.545 408 H ILE 51 H ILE 51 10.280 8.202 1.286 409 HA ILE 51 HA ILE 51 12.737 6.815 1.758 410 HB ILE 51 HB ILE 51 10.094 6.367 3.138 411 1HG1 ILE 51 2HG1 ILE 51 10.712 8.773 3.077 412 2HG1 ILE 51 3HG1 ILE 51 10.712 8.099 4.699 413 1HG2 ILE 51 3HG2 ILE 51 12.949 5.923 3.993 414 2HG2 ILE 51 2HG2 ILE 51 11.544 5.751 5.045 415 3HG2 ILE 51 1HG2 ILE 51 11.738 4.687 3.653 416 1HD1 ILE 51 3HD1 ILE 51 13.167 8.519 3.013 417 2HD1 ILE 51 2HD1 ILE 51 12.606 9.609 4.282 418 3HD1 ILE 51 1HD1 ILE 51 13.121 7.971 4.689 419 H LEU 52 H LEU 52 9.541 5.318 1.893 420 HA LEU 52 HA LEU 52 10.625 2.985 0.489 421 1HB LEU 52 HB2 LEU 52 8.478 3.437 2.479 422 2HB LEU 52 HB3 LEU 52 8.191 2.174 1.299 423 HG LEU 52 HG LEU 52 10.696 2.262 2.953 424 1HD1 LEU 52 3HD1 LEU 52 8.095 0.890 3.607 425 2HD1 LEU 52 2HD1 LEU 52 9.622 0.645 4.456 426 3HD1 LEU 52 1HD1 LEU 52 8.830 2.221 4.500 427 1HD2 LEU 52 2HD2 LEU 52 10.520 0.864 0.852 428 2HD2 LEU 52 1HD2 LEU 52 10.956 0.005 2.329 429 3HD2 LEU 52 3HD2 LEU 52 9.310 -0.090 1.706 430 H GLU 53 H GLU 53 10.293 2.950 -1.658 431 HA GLU 53 HA GLU 53 8.227 4.401 -2.958 432 1HB GLU 53 HB2 GLU 53 10.425 2.639 -3.726 433 2HB GLU 53 HB3 GLU 53 9.008 2.434 -4.744 434 1HG GLU 53 HG2 GLU 53 9.847 5.200 -4.199 435 2HG GLU 53 HG3 GLU 53 10.921 4.228 -5.201 436 H VAL 54 H VAL 54 6.561 3.472 -1.427 437 HA VAL 54 HA VAL 54 5.696 0.789 -1.786 438 HB VAL 54 HB VAL 54 4.027 3.047 -0.706 439 1HG1 VAL 54 2HG1 VAL 54 2.869 0.947 -1.179 440 2HG1 VAL 54 1HG1 VAL 54 4.025 0.081 -0.166 441 3HG1 VAL 54 3HG1 VAL 54 2.938 1.268 0.554 442 1HG2 VAL 54 1HG2 VAL 54 6.258 1.517 0.573 443 2HG2 VAL 54 3HG2 VAL 54 5.939 3.250 0.598 444 3HG2 VAL 54 2HG2 VAL 54 4.929 2.151 1.539 445 H VAL 55 H VAL 55 5.496 0.633 -4.074 446 HA VAL 55 HA VAL 55 3.506 2.214 -5.423 447 HB VAL 55 HB VAL 55 4.819 -0.313 -6.402 448 1HG1 VAL 55 1HG1 VAL 55 2.733 0.513 -7.533 449 2HG1 VAL 55 3HG1 VAL 55 3.636 1.959 -7.981 450 3HG1 VAL 55 2HG1 VAL 55 4.149 0.381 -8.577 451 1HG2 VAL 55 2HG2 VAL 55 6.531 1.320 -5.808 452 2HG2 VAL 55 1HG2 VAL 55 6.420 1.148 -7.560 453 3HG2 VAL 55 3HG2 VAL 55 5.704 2.549 -6.765 454 H CYS 56 H CYS 56 1.777 1.767 -4.044 455 HA CYS 56 HA CYS 56 0.707 -0.948 -4.046 456 1HB CYS 56 HB2 CYS 56 0.751 0.025 -1.871 457 2HB CYS 56 HB3 CYS 56 0.005 1.510 -2.448 458 HG CYS 56 HG CYS 56 -1.508 -1.534 -2.076 459 H LYS 57 H LYS 57 -0.833 -1.526 -5.374 460 HA LYS 57 HA LYS 57 -2.454 0.566 -6.653 461 1HB LYS 57 HB2 LYS 57 -2.027 -2.172 -7.794 462 2HB LYS 57 HB3 LYS 57 -2.552 -0.714 -8.617 463 1HG LYS 57 HG2 LYS 57 -0.332 0.243 -8.401 464 2HG LYS 57 HG3 LYS 57 0.209 -1.184 -7.513 465 1HD LYS 57 HD2 LYS 57 -0.266 -2.574 -9.481 466 2HD LYS 57 HD3 LYS 57 -0.771 -1.134 -10.367 467 1HE LYS 57 HE2 LYS 57 1.466 -0.191 -10.122 468 2HE LYS 57 HE3 LYS 57 1.975 -1.615 -9.215 469 1HZ LYS 57 HZ1 LYS 57 1.060 -1.603 -12.041 470 2HZ LYS 57 HZ3 LYS 57 2.665 -1.744 -11.524 471 3HZ LYS 57 HZ2 LYS 57 1.552 -2.967 -11.171 472 H TYR 58 H TYR 58 -4.302 0.635 -5.595 473 HA TYR 58 HA TYR 58 -5.499 -1.605 -4.310 474 1HB TYR 58 HB2 TYR 58 -5.815 0.795 -3.610 475 2HB TYR 58 HB3 TYR 58 -6.801 1.031 -5.051 476 HD1 TYR 58 HD1 TYR 58 -7.162 0.930 -1.752 477 HD2 TYR 58 HD2 TYR 58 -8.511 -1.302 -5.136 478 HE1 TYR 58 HE1 TYR 58 -9.174 0.223 -0.514 479 HE2 TYR 58 HE2 TYR 58 -10.493 -2.025 -3.898 480 HH TYR 58 HH TYR 58 -11.219 -2.272 -1.563 481 H THR 59 H THR 59 -5.941 -3.253 -5.684 482 HA THR 59 HA THR 59 -7.344 -2.716 -8.190 483 HB THR 59 HB THR 59 -6.400 -5.396 -7.177 484 HG1 THR 59 HG1 THR 59 -4.705 -4.572 -8.967 485 1HG2 THR 59 1HG2 THR 59 -7.984 -5.454 -9.039 486 2HG2 THR 59 3HG2 THR 59 -6.963 -4.347 -9.956 487 3HG2 THR 59 2HG2 THR 59 -6.379 -5.964 -9.566 488 HA PRO 60 HA PRO 60 -11.074 -4.306 -6.264 489 1HB PRO 60 HB2 PRO 60 -12.732 -3.152 -8.122 490 2HB PRO 60 HB3 PRO 60 -12.073 -2.307 -6.722 491 1HG PRO 60 HG2 PRO 60 -11.503 -1.853 -9.495 492 2HG PRO 60 HG3 PRO 60 -10.844 -1.001 -8.089 493 1HD PRO 60 HD2 PRO 60 -9.659 -3.184 -9.688 494 2HD PRO 60 HD3 PRO 60 -8.871 -1.940 -8.695 495 H THR 61 H THR 61 -13.308 -4.870 -7.857 496 HA THR 61 HA THR 61 -12.546 -6.633 -10.010 497 HB THR 61 HB THR 61 -13.998 -7.931 -7.726 498 HG1 THR 61 HG1 THR 61 -11.275 -8.454 -8.098 499 1HG2 THR 61 2HG2 THR 61 -14.132 -9.014 -9.908 500 2HG2 THR 61 1HG2 THR 61 -12.372 -9.028 -10.019 501 3HG2 THR 61 3HG2 THR 61 -13.185 -9.989 -8.783 502 HA PRO 62 HA PRO 62 -16.486 -5.237 -11.492 503 1HB PRO 62 HB2 PRO 62 -17.047 -7.499 -13.028 504 2HB PRO 62 HB3 PRO 62 -16.136 -6.086 -13.568 505 1HG PRO 62 HG2 PRO 62 -15.138 -8.709 -12.545 506 2HG PRO 62 HG3 PRO 62 -14.495 -7.694 -13.850 507 1HD PRO 62 HD2 PRO 62 -13.323 -7.764 -11.450 508 2HD PRO 62 HD3 PRO 62 -13.449 -6.241 -12.361 509 H SER 63 H SER 63 -17.871 -5.260 -9.771 510 HA SER 63 HA SER 63 -19.197 -7.817 -9.168 511 1HB SER 63 HB2 SER 63 -18.666 -5.455 -7.353 512 2HB SER 63 HB3 SER 63 -19.673 -6.833 -6.918 513 HG SER 63 HG SER 63 -17.872 -7.704 -6.295 514 H SER 64 H SER 64 -21.357 -6.985 -7.785 515 HA SER 64 HA SER 64 -23.041 -5.940 -9.851 516 1HB SER 64 HB2 SER 64 -23.852 -7.679 -8.324 517 2HB SER 64 HB3 SER 64 -23.662 -6.580 -6.957 518 HG SER 64 HG SER 64 -25.397 -5.491 -7.563 519 H THR 65 H THR 65 -21.023 -4.462 -7.698 520 HA THR 65 HA THR 65 -22.560 -2.288 -6.762 521 HB THR 65 HB THR 65 -20.403 -1.165 -6.356 522 HG1 THR 65 HG1 THR 65 -19.559 -3.032 -8.203 523 1HG2 THR 65 1HG2 THR 65 -20.401 -4.097 -5.623 524 2HG2 THR 65 3HG2 THR 65 -19.450 -2.839 -4.833 525 3HG2 THR 65 2HG2 THR 65 -21.210 -2.806 -4.733 526 HA PRO 66 HA PRO 66 -22.853 0.329 -10.314 527 1HB PRO 66 HB2 PRO 66 -22.828 2.791 -9.223 528 2HB PRO 66 HB3 PRO 66 -24.175 1.673 -8.974 529 1HG PRO 66 HG2 PRO 66 -21.850 2.268 -7.177 530 2HG PRO 66 HG3 PRO 66 -23.572 2.154 -6.766 531 1HD PRO 66 HD2 PRO 66 -21.836 0.117 -6.344 532 2HD PRO 66 HD3 PRO 66 -23.543 -0.154 -6.751 533 H MET 67 H MET 67 -21.762 2.919 -10.586 534 HA MET 67 HA MET 67 -19.111 2.248 -11.455 535 1HB MET 67 HB2 MET 67 -20.561 4.902 -11.468 536 2HB MET 67 HB3 MET 67 -19.044 4.567 -12.292 537 1HG MET 67 HG2 MET 67 -21.695 3.263 -12.866 538 2HG MET 67 HG3 MET 67 -20.920 4.517 -13.832 539 1HE MET 67 HE2 MET 67 -21.199 2.996 -15.998 540 2HE MET 67 HE1 MET 67 -20.622 1.333 -16.104 541 3HE MET 67 HE3 MET 67 -21.959 1.736 -15.026 542 H VAL 68 H VAL 68 -20.349 3.174 -8.523 543 HA VAL 68 HA VAL 68 -17.865 4.537 -7.720 544 HB VAL 68 HB VAL 68 -20.506 4.502 -6.254 545 1HG1 VAL 68 2HG1 VAL 68 -18.585 4.825 -4.792 546 2HG1 VAL 68 1HG1 VAL 68 -18.007 6.136 -5.820 547 3HG1 VAL 68 3HG1 VAL 68 -19.519 6.314 -4.930 548 1HG2 VAL 68 1HG2 VAL 68 -19.295 6.649 -7.993 549 2HG2 VAL 68 3HG2 VAL 68 -20.733 5.695 -8.357 550 3HG2 VAL 68 2HG2 VAL 68 -20.745 6.829 -7.006 551 H GLY 69 H GLY 69 -16.450 3.122 -6.906 552 1HA GLY 69 HA3 GLY 69 -17.123 1.590 -4.580 553 2HA GLY 69 HA2 GLY 69 -15.564 1.624 -5.391 554 H VAL 70 H VAL 70 -15.055 -0.462 -5.689 555 HA VAL 70 HA VAL 70 -17.068 -2.192 -6.954 556 HB VAL 70 HB VAL 70 -14.396 -3.041 -7.586 557 1HG1 VAL 70 3HG1 VAL 70 -16.415 -3.755 -8.752 558 2HG1 VAL 70 2HG1 VAL 70 -16.682 -2.104 -9.311 559 3HG1 VAL 70 1HG1 VAL 70 -15.271 -3.005 -9.864 560 1HG2 VAL 70 1HG2 VAL 70 -13.934 -0.599 -7.347 561 2HG2 VAL 70 3HG2 VAL 70 -13.643 -1.239 -8.964 562 3HG2 VAL 70 2HG2 VAL 70 -15.105 -0.306 -8.634 563 H GLY 71 H GLY 71 -13.839 -3.143 -6.077 564 1HA GLY 71 HA3 GLY 71 -14.991 -5.027 -4.134 565 2HA GLY 71 HA2 GLY 71 -13.637 -4.014 -3.662 566 H GLY 72 H GLY 72 -11.711 -4.922 -3.788 567 1HA GLY 72 HA3 GLY 72 -10.426 -6.124 -5.819 568 2HA GLY 72 HA2 GLY 72 -11.385 -7.450 -5.182 569 H ILE 73 H ILE 73 -8.387 -6.309 -5.142 570 HA ILE 73 HA ILE 73 -7.952 -6.965 -2.310 571 HB ILE 73 HB ILE 73 -5.840 -8.025 -2.873 572 1HG1 ILE 73 2HG1 ILE 73 -6.522 -8.182 -5.760 573 2HG1 ILE 73 3HG1 ILE 73 -5.768 -6.707 -5.153 574 1HG2 ILE 73 2HG2 ILE 73 -7.942 -9.334 -2.702 575 2HG2 ILE 73 1HG2 ILE 73 -8.012 -9.331 -4.465 576 3HG2 ILE 73 3HG2 ILE 73 -6.653 -10.096 -3.636 577 1HD1 ILE 73 2HD1 ILE 73 -3.921 -8.032 -4.251 578 2HD1 ILE 73 1HD1 ILE 73 -4.673 -9.497 -4.885 579 3HD1 ILE 73 3HD1 ILE 73 -4.097 -8.252 -5.994 580 H TYR 74 H TYR 74 -5.213 -6.548 -2.262 581 HA TYR 74 HA TYR 74 -4.839 -3.779 -3.131 582 1HB TYR 74 HB2 TYR 74 -4.070 -4.604 -0.343 583 2HB TYR 74 HB3 TYR 74 -4.320 -2.983 -0.987 584 HD1 TYR 74 HD1 TYR 74 -6.511 -1.994 -1.032 585 HD2 TYR 74 HD2 TYR 74 -6.023 -6.028 0.220 586 HE1 TYR 74 HE1 TYR 74 -8.812 -2.013 -0.160 587 HE2 TYR 74 HE2 TYR 74 -8.316 -6.048 1.081 588 HH TYR 74 HH TYR 74 -10.002 -4.445 1.865 589 H VAL 75 H VAL 75 -3.187 -4.159 -4.535 590 HA VAL 75 HA VAL 75 -1.038 -5.981 -3.821 591 HB VAL 75 HB VAL 75 -1.505 -4.344 -6.317 592 1HG1 VAL 75 1HG1 VAL 75 0.665 -6.350 -5.711 593 2HG1 VAL 75 3HG1 VAL 75 0.334 -5.662 -7.300 594 3HG1 VAL 75 2HG1 VAL 75 0.878 -4.621 -5.984 595 1HG2 VAL 75 1HG2 VAL 75 -3.070 -6.196 -6.003 596 2HG2 VAL 75 3HG2 VAL 75 -1.981 -6.497 -7.357 597 3HG2 VAL 75 2HG2 VAL 75 -1.715 -7.310 -5.815 598 H VAL 76 H VAL 76 0.244 -5.105 -2.290 599 HA VAL 76 HA VAL 76 1.182 -2.351 -2.655 600 HB VAL 76 HB VAL 76 1.581 -4.137 -0.256 601 1HG1 VAL 76 2HG1 VAL 76 1.950 -1.174 -0.676 602 2HG1 VAL 76 1HG1 VAL 76 2.039 -1.986 0.888 603 3HG1 VAL 76 3HG1 VAL 76 3.211 -2.368 -0.373 604 1HG2 VAL 76 2HG2 VAL 76 -0.807 -3.729 -0.675 605 2HG2 VAL 76 1HG2 VAL 76 -0.247 -2.928 0.794 606 3HG2 VAL 76 3HG2 VAL 76 -0.499 -1.993 -0.679 607 H LEU 77 H LEU 77 3.070 -2.028 -3.609 608 HA LEU 77 HA LEU 77 5.154 -4.097 -3.396 609 1HB LEU 77 HB2 LEU 77 4.716 -1.957 -5.479 610 2HB LEU 77 HB3 LEU 77 6.162 -2.944 -5.395 611 HG LEU 77 HG LEU 77 3.347 -3.944 -5.885 612 1HD1 LEU 77 3HD1 LEU 77 4.279 -2.749 -7.792 613 2HD1 LEU 77 2HD1 LEU 77 5.732 -3.745 -7.719 614 3HD1 LEU 77 1HD1 LEU 77 4.179 -4.479 -8.121 615 1HD2 LEU 77 3HD2 LEU 77 5.052 -5.418 -4.597 616 2HD2 LEU 77 2HD2 LEU 77 4.152 -6.106 -5.951 617 3HD2 LEU 77 1HD2 LEU 77 5.823 -5.588 -6.175 618 H VAL 78 H VAL 78 6.242 -3.514 -1.583 619 HA VAL 78 HA VAL 78 6.903 -0.703 -1.183 620 HB VAL 78 HB VAL 78 8.077 -2.441 0.787 621 1HG1 VAL 78 1HG1 VAL 78 5.880 -0.363 0.911 622 2HG1 VAL 78 3HG1 VAL 78 6.715 -1.052 2.307 623 3HG1 VAL 78 2HG1 VAL 78 7.609 -0.079 1.141 624 1HG2 VAL 78 1HG2 VAL 78 6.311 -4.004 0.129 625 2HG2 VAL 78 3HG2 VAL 78 6.046 -3.371 1.752 626 3HG2 VAL 78 2HG2 VAL 78 5.104 -2.749 0.398 627 H LYS 79 H LYS 79 8.563 -0.013 -2.336 628 HA LYS 79 HA LYS 79 10.976 -1.692 -2.511 629 1HB LYS 79 HB2 LYS 79 9.697 0.239 -4.386 630 2HB LYS 79 HB3 LYS 79 11.449 0.097 -4.417 631 1HG LYS 79 HG2 LYS 79 11.191 -2.343 -4.772 632 2HG LYS 79 HG3 LYS 79 9.438 -2.102 -4.887 633 1HD LYS 79 HD2 LYS 79 11.482 -0.758 -6.659 634 2HD LYS 79 HD3 LYS 79 10.580 -2.211 -7.094 635 1HE LYS 79 HE2 LYS 79 9.393 0.485 -6.445 636 2HE LYS 79 HE3 LYS 79 9.557 -0.213 -8.056 637 1HZ LYS 79 HZ1 LYS 79 8.083 -2.010 -7.384 638 2HZ LYS 79 HZ3 LYS 79 7.918 -1.327 -5.844 639 3HZ LYS 79 HZ2 LYS 79 7.325 -0.510 -7.202 640 HA PRO 80 HA PRO 80 12.259 1.548 0.493 641 1HB PRO 80 HB2 PRO 80 14.705 0.219 0.852 642 2HB PRO 80 HB3 PRO 80 13.285 0.114 1.894 643 1HG PRO 80 HG2 PRO 80 14.221 -1.742 -0.231 644 2HG PRO 80 HG3 PRO 80 13.359 -2.098 1.277 645 1HD PRO 80 HD2 PRO 80 12.128 -2.155 -1.114 646 2HD PRO 80 HD3 PRO 80 11.294 -1.611 0.357 647 H ARG 81 H ARG 81 12.639 3.266 -0.800 648 HA ARG 81 HA ARG 81 14.460 3.349 -2.945 649 1HB ARG 81 HB2 ARG 81 12.771 5.235 -1.503 650 2HB ARG 81 HB3 ARG 81 14.279 5.959 -2.039 651 1HG ARG 81 HG2 ARG 81 13.814 5.438 -4.309 652 2HG ARG 81 HG3 ARG 81 12.433 4.436 -3.857 653 1HD ARG 81 HD2 ARG 81 11.219 6.347 -3.080 654 2HD ARG 81 HD3 ARG 81 12.628 7.389 -3.294 655 HE ARG 81 HE ARG 81 11.815 6.118 -5.725 656 1HH1 ARG 81 1HH1 ARG 81 11.191 8.803 -3.594 657 2HH1 ARG 81 2HH1 ARG 81 10.509 9.797 -4.837 658 1HH2 ARG 81 1HH2 ARG 81 10.919 7.421 -7.367 659 2HH2 ARG 81 2HH2 ARG 81 10.354 9.012 -6.982 660 H LYS 82 H LYS 82 14.772 4.050 0.476 661 HA LYS 82 HA LYS 82 17.659 4.493 0.085 662 1HB LYS 82 HB2 LYS 82 16.035 5.553 2.395 663 2HB LYS 82 HB3 LYS 82 17.667 6.005 1.929 664 1HG LYS 82 HG2 LYS 82 16.782 7.019 -0.126 665 2HG LYS 82 HG3 LYS 82 15.147 6.603 0.394 666 1HD LYS 82 HD2 LYS 82 15.456 7.982 2.407 667 2HD LYS 82 HD3 LYS 82 17.065 8.432 1.835 668 1HE LYS 82 HE2 LYS 82 16.063 9.434 -0.167 669 2HE LYS 82 HE3 LYS 82 14.459 9.001 0.424 670 1HZ LYS 82 HZ2 LYS 82 16.358 10.840 1.778 671 2HZ LYS 82 HZ1 LYS 82 14.987 11.307 0.905 672 3HZ LYS 82 HZ3 LYS 82 14.817 10.427 2.340 673 H ARG 83 H ARG 83 18.800 4.128 2.352 674 HA ARG 83 HA ARG 83 17.821 1.559 3.410 675 1HB ARG 83 HB2 ARG 83 20.341 1.195 3.904 676 2HB ARG 83 HB3 ARG 83 19.747 0.952 2.267 677 1HG ARG 83 HG2 ARG 83 20.533 3.177 1.648 678 2HG ARG 83 HG3 ARG 83 21.127 3.425 3.291 679 1HD ARG 83 HD2 ARG 83 22.054 1.285 1.381 680 2HD ARG 83 HD3 ARG 83 22.925 2.768 1.769 681 HE ARG 83 HE ARG 83 22.400 1.402 4.154 682 1HH1 ARG 83 1HH1 ARG 83 24.307 1.046 1.259 683 2HH1 ARG 83 2HH1 ARG 83 25.546 0.117 2.034 684 1HH2 ARG 83 1HH2 ARG 83 24.027 0.181 5.183 685 2HH2 ARG 83 2HH2 ARG 83 25.386 -0.376 4.264 686 H GLY 84 H GLY 84 17.835 1.241 5.590 687 1HA GLY 84 HA3 GLY 84 18.244 3.648 7.212 688 2HA GLY 84 HA2 GLY 84 19.130 2.198 7.661 689 H HIS 85 H HIS 85 16.354 3.949 8.185 690 HA HIS 85 HA HIS 85 14.998 1.598 9.335 691 1HB HIS 85 HB2 HIS 85 14.973 4.452 10.338 692 2HB HIS 85 HB3 HIS 85 14.098 3.104 11.058 693 HD1 HIS 85 HD1 HIS 85 17.383 4.756 11.003 694 HD2 HIS 85 HD2 HIS 85 15.790 1.150 12.317 695 HE1 HIS 85 HE1 HIS 85 19.108 3.784 12.554 696 HE2 HIS 85 HE2 HIS 85 18.081 1.648 13.410 697 H HIS 86 H HIS 86 13.635 1.169 7.635 698 HA HIS 86 HA HIS 86 11.715 3.288 6.921 699 1HB HIS 86 HB2 HIS 86 12.551 0.857 5.323 700 2HB HIS 86 HB3 HIS 86 11.333 2.028 4.827 701 HD1 HIS 86 HD1 HIS 86 14.095 3.744 6.408 702 HD2 HIS 86 HD2 HIS 86 13.257 2.293 2.608 703 HE1 HIS 86 HE1 HIS 86 15.703 4.917 4.873 704 HE2 HIS 86 HE2 HIS 86 15.098 4.108 2.566 705 H THR 87 H THR 87 9.498 2.511 6.415 706 HA THR 87 HA THR 87 8.691 -0.040 7.482 707 HB THR 87 HB THR 87 7.777 2.464 8.906 708 HG1 THR 87 HG1 THR 87 9.639 2.068 9.896 709 1HG2 THR 87 3HG2 THR 87 6.051 0.715 8.709 710 2HG2 THR 87 2HG2 THR 87 7.161 -0.440 9.450 711 3HG2 THR 87 1HG2 THR 87 6.580 0.945 10.376 712 H LEU 88 H LEU 88 6.542 -0.589 6.999 713 HA LEU 88 HA LEU 88 5.206 1.236 5.113 714 1HB LEU 88 HB2 LEU 88 5.961 -0.677 3.921 715 2HB LEU 88 HB3 LEU 88 5.385 -1.765 5.165 716 HG LEU 88 HG LEU 88 3.035 -0.972 4.567 717 1HD1 LEU 88 1HD1 LEU 88 3.676 1.039 3.356 718 2HD1 LEU 88 3HD1 LEU 88 4.499 0.056 2.146 719 3HD1 LEU 88 2HD1 LEU 88 2.750 -0.054 2.328 720 1HD2 LEU 88 1HD2 LEU 88 4.734 -2.545 2.654 721 2HD2 LEU 88 3HD2 LEU 88 3.708 -3.158 3.949 722 3HD2 LEU 88 2HD2 LEU 88 2.981 -2.427 2.518 723 H GLU 89 H GLU 89 3.863 2.232 6.586 724 HA GLU 89 HA GLU 89 2.310 0.735 8.460 725 1HB GLU 89 HB2 GLU 89 2.277 3.623 7.609 726 2HB GLU 89 HB3 GLU 89 1.204 2.965 8.837 727 1HG GLU 89 HG2 GLU 89 3.078 2.331 10.189 728 2HG GLU 89 HG3 GLU 89 4.203 2.892 8.956 729 H LEU 90 H LEU 90 1.020 -0.709 7.315 730 HA LEU 90 HA LEU 90 -0.983 0.495 5.532 731 1HB LEU 90 HB2 LEU 90 -0.093 -2.360 5.893 732 2HB LEU 90 HB3 LEU 90 -1.541 -1.934 5.009 733 HG LEU 90 HG LEU 90 1.264 -1.072 4.300 734 1HD1 LEU 90 2HD1 LEU 90 -0.587 -3.085 3.034 735 2HD1 LEU 90 1HD1 LEU 90 0.952 -2.549 2.359 736 3HD1 LEU 90 3HD1 LEU 90 0.917 -3.431 3.886 737 1HD2 LEU 90 3HD2 LEU 90 -1.366 -0.598 2.902 738 2HD2 LEU 90 2HD2 LEU 90 -0.342 0.622 3.659 739 3HD2 LEU 90 1HD2 LEU 90 0.223 -0.239 2.228 740 H VAL 91 H VAL 91 -2.963 0.826 6.266 741 HA VAL 91 HA VAL 91 -3.849 -0.698 8.625 742 HB VAL 91 HB VAL 91 -3.225 1.562 9.294 743 1HG1 VAL 91 1HG1 VAL 91 -5.221 2.444 7.212 744 2HG1 VAL 91 3HG1 VAL 91 -4.509 3.503 8.432 745 3HG1 VAL 91 2HG1 VAL 91 -3.479 2.742 7.219 746 1HG2 VAL 91 1HG2 VAL 91 -6.206 1.115 9.291 747 2HG2 VAL 91 3HG2 VAL 91 -5.052 0.526 10.488 748 3HG2 VAL 91 2HG2 VAL 91 -5.350 2.256 10.327 749 H TYR 92 H TYR 92 -6.115 -0.953 8.869 750 HA TYR 92 HA TYR 92 -7.565 -1.040 6.327 751 1HB TYR 92 HB2 TYR 92 -7.299 -3.072 7.861 752 2HB TYR 92 HB3 TYR 92 -8.411 -2.261 8.955 753 HD1 TYR 92 HD1 TYR 92 -10.386 -3.461 8.922 754 HD2 TYR 92 HD2 TYR 92 -8.454 -2.583 5.235 755 HE1 TYR 92 HE1 TYR 92 -12.289 -4.429 7.702 756 HE2 TYR 92 HE2 TYR 92 -10.352 -3.547 4.004 757 HH TYR 92 HH TYR 92 -12.172 -5.153 4.390 758 H THR 93 H THR 93 -8.023 1.225 6.270 759 HA THR 93 HA THR 93 -9.982 2.142 8.281 760 HB THR 93 HB THR 93 -7.954 3.435 8.427 761 HG1 THR 93 HG1 THR 93 -9.916 4.936 7.001 762 1HG2 THR 93 3HG2 THR 93 -8.232 3.471 5.466 763 2HG2 THR 93 2HG2 THR 93 -7.526 4.889 6.247 764 3HG2 THR 93 1HG2 THR 93 -6.787 3.300 6.464 765 H ARG 94 H ARG 94 -11.615 3.641 7.555 766 HA ARG 94 HA ARG 94 -12.481 3.098 4.812 767 1HB ARG 94 HB2 ARG 94 -13.909 4.110 7.262 768 2HB ARG 94 HB3 ARG 94 -14.628 4.230 5.662 769 1HG ARG 94 HG2 ARG 94 -14.492 1.804 5.416 770 2HG ARG 94 HG3 ARG 94 -13.773 1.687 7.021 771 1HD ARG 94 HD2 ARG 94 -16.138 1.175 7.126 772 2HD ARG 94 HD3 ARG 94 -15.797 2.673 7.992 773 HE ARG 94 HE ARG 94 -16.490 3.476 5.476 774 1HH1 ARG 94 1HH1 ARG 94 -17.997 1.540 7.951 775 2HH1 ARG 94 2HH1 ARG 94 -19.609 1.974 7.490 776 1HH2 ARG 94 1HH2 ARG 94 -18.609 4.053 4.862 777 2HH2 ARG 94 2HH2 ARG 94 -19.957 3.402 5.734 778 HA PRO 95 HA PRO 95 -10.499 7.124 3.869 779 1HB PRO 95 HB2 PRO 95 -11.997 6.385 1.383 780 2HB PRO 95 HB3 PRO 95 -10.375 7.066 1.555 781 1HG PRO 95 HG2 PRO 95 -10.717 4.465 1.057 782 2HG PRO 95 HG3 PRO 95 -9.443 5.027 2.151 783 1HD PRO 95 HD2 PRO 95 -11.997 3.665 2.770 784 2HD PRO 95 HD3 PRO 95 -10.463 3.654 3.653 785 H PHE 96 H PHE 96 -13.827 6.161 3.128 786 HA PHE 96 HA PHE 96 -14.887 8.691 2.645 787 1HB PHE 96 HB2 PHE 96 -16.760 6.905 3.980 788 2HB PHE 96 HB3 PHE 96 -16.791 7.555 2.347 789 HD1 PHE 96 HD1 PHE 96 -16.388 4.647 4.304 790 HD2 PHE 96 HD2 PHE 96 -15.238 6.433 0.617 791 HE1 PHE 96 HE1 PHE 96 -15.833 2.425 3.406 792 HE2 PHE 96 HE2 PHE 96 -14.681 4.214 -0.288 793 HZ PHE 96 HZ PHE 96 -14.980 2.206 1.106 794 H GLU 97 H GLU 97 -14.553 6.880 5.675 795 HA GLU 97 HA GLU 97 -15.644 9.153 7.160 796 1HB GLU 97 HB2 GLU 97 -14.838 6.419 8.171 797 2HB GLU 97 HB3 GLU 97 -15.685 7.657 9.087 798 1HG GLU 97 HG2 GLU 97 -17.557 7.495 7.462 799 2HG GLU 97 HG3 GLU 97 -16.718 6.143 6.703 800 H GLY 98 H GLY 98 -13.027 6.884 7.945 801 1HA GLY 98 HA3 GLY 98 -11.556 8.921 9.332 802 2HA GLY 98 HA2 GLY 98 -10.816 8.496 7.794 803 H ILE 99 H ILE 99 -9.193 8.042 9.689 804 HA ILE 99 HA ILE 99 -9.188 5.140 9.954 805 HB ILE 99 HB ILE 99 -6.928 6.953 10.722 806 1HG1 ILE 99 2HG1 ILE 99 -7.299 5.793 7.963 807 2HG1 ILE 99 3HG1 ILE 99 -7.855 7.416 8.367 808 1HG2 ILE 99 2HG2 ILE 99 -7.284 4.065 10.030 809 2HG2 ILE 99 1HG2 ILE 99 -5.716 4.842 9.788 810 3HG2 ILE 99 3HG2 ILE 99 -6.439 4.796 11.396 811 1HD1 ILE 99 2HD1 ILE 99 -5.559 8.031 8.962 812 2HD1 ILE 99 1HD1 ILE 99 -5.018 6.411 8.523 813 3HD1 ILE 99 3HD1 ILE 99 -5.685 7.482 7.290 814 H LYS 100 H LYS 100 -8.906 4.064 11.892 815 HA LYS 100 HA LYS 100 -9.039 5.627 14.363 816 1HB LYS 100 HB2 LYS 100 -10.963 3.438 13.583 817 2HB LYS 100 HB3 LYS 100 -10.851 4.125 15.187 818 1HG LYS 100 HG2 LYS 100 -11.586 6.256 14.415 819 2HG LYS 100 HG3 LYS 100 -11.459 5.749 12.730 820 1HD LYS 100 HD2 LYS 100 -13.271 4.303 14.627 821 2HD LYS 100 HD3 LYS 100 -13.791 5.801 13.852 822 1HE LYS 100 HE2 LYS 100 -13.449 4.837 11.664 823 2HE LYS 100 HE3 LYS 100 -12.789 3.367 12.381 824 1HZ LYS 100 HZ3 LYS 100 -15.572 4.351 12.712 825 2HZ LYS 100 HZ2 LYS 100 -15.089 3.069 11.719 826 3HZ LYS 100 HZ1 LYS 100 -14.938 2.940 13.399 827 HA PRO 101 HA PRO 101 -6.317 2.615 16.058 828 1HB PRO 101 HB2 PRO 101 -7.288 2.250 18.575 829 2HB PRO 101 HB3 PRO 101 -6.422 3.705 18.073 830 1HG PRO 101 HG2 PRO 101 -9.368 3.247 18.331 831 2HG PRO 101 HG3 PRO 101 -8.409 4.659 18.811 832 1HD PRO 101 HD2 PRO 101 -9.866 4.600 16.535 833 2HD PRO 101 HD3 PRO 101 -8.341 5.501 16.671 834 H GLU 102 H GLU 102 -9.743 1.916 16.633 835 HA GLU 102 HA GLU 102 -9.477 -0.813 17.198 836 1HB GLU 102 HB2 GLU 102 -11.883 -0.954 16.521 837 2HB GLU 102 HB3 GLU 102 -11.528 0.277 17.727 838 1HG GLU 102 HG2 GLU 102 -11.508 1.973 15.981 839 2HG GLU 102 HG3 GLU 102 -11.885 0.737 14.784 840 H ASN 103 H ASN 103 -9.482 0.946 14.213 841 HA ASN 103 HA ASN 103 -10.132 -1.035 12.380 842 1HB ASN 103 HB2 ASN 103 -8.217 1.289 12.186 843 2HB ASN 103 HB3 ASN 103 -8.609 0.262 10.812 844 1HD2 ASN 103 1HD2 ASN 103 -11.018 0.902 13.204 845 2HD2 ASN 103 2HD2 ASN 103 -11.971 1.984 12.255 846 H GLU 104 H GLU 104 -8.897 -2.501 11.152 847 HA GLU 104 HA GLU 104 -7.000 -3.982 12.544 848 1HB GLU 104 HB2 GLU 104 -8.198 -3.984 9.883 849 2HB GLU 104 HB3 GLU 104 -6.563 -4.617 9.913 850 1HG GLU 104 HG2 GLU 104 -7.933 -6.475 10.240 851 2HG GLU 104 HG3 GLU 104 -7.333 -6.073 11.845 852 H ARG 105 H ARG 105 -4.770 -4.483 11.708 853 HA ARG 105 HA ARG 105 -3.403 -2.062 10.739 854 1HB ARG 105 HB2 ARG 105 -3.206 -2.192 13.193 855 2HB ARG 105 HB3 ARG 105 -2.524 -3.801 13.051 856 1HG ARG 105 HG2 ARG 105 -0.618 -2.578 13.325 857 2HG ARG 105 HG3 ARG 105 -0.748 -2.573 11.563 858 1HD ARG 105 HD2 ARG 105 -0.279 -0.338 12.335 859 2HD ARG 105 HD3 ARG 105 -1.916 -0.406 11.680 860 HE ARG 105 HE ARG 105 -2.073 -0.892 14.417 861 1HH1 ARG 105 1HH1 ARG 105 -1.201 1.706 12.262 862 2HH1 ARG 105 2HH1 ARG 105 -1.671 2.953 13.367 863 1HH2 ARG 105 1HH2 ARG 105 -2.696 0.748 15.879 864 2HH2 ARG 105 2HH2 ARG 105 -2.521 2.409 15.422 865 H TYR 106 H TYR 106 -1.214 -2.481 9.956 866 HA TYR 106 HA TYR 106 -0.139 -5.041 9.557 867 1HB TYR 106 HB2 TYR 106 -2.068 -5.198 7.964 868 2HB TYR 106 HB3 TYR 106 -1.362 -3.864 7.049 869 HD1 TYR 106 HD1 TYR 106 -0.974 -7.367 8.071 870 HD2 TYR 106 HD2 TYR 106 0.533 -4.249 5.604 871 HE1 TYR 106 HE1 TYR 106 0.360 -9.004 6.831 872 HE2 TYR 106 HE2 TYR 106 1.878 -5.882 4.354 873 HH TYR 106 HH TYR 106 1.414 -9.232 4.617 874 H THR 107 H THR 107 1.226 -3.286 10.591 875 HA THR 107 HA THR 107 2.494 -1.457 8.729 876 HB THR 107 HB THR 107 3.260 -1.944 11.608 877 HG1 THR 107 HG1 THR 107 1.381 -1.092 12.072 878 1HG2 THR 107 3HG2 THR 107 4.862 -0.666 10.278 879 2HG2 THR 107 2HG2 THR 107 3.584 0.443 9.788 880 3HG2 THR 107 1HG2 THR 107 4.080 0.362 11.478 881 H LEU 108 H LEU 108 3.624 -2.755 7.300 882 HA LEU 108 HA LEU 108 5.356 -4.852 8.166 883 1HB LEU 108 HB2 LEU 108 4.369 -4.973 5.983 884 2HB LEU 108 HB3 LEU 108 5.056 -3.432 5.527 885 HG LEU 108 HG LEU 108 7.287 -4.372 5.496 886 1HD1 LEU 108 3HD1 LEU 108 5.989 -6.944 6.386 887 2HD1 LEU 108 2HD1 LEU 108 7.677 -6.752 5.908 888 3HD1 LEU 108 1HD1 LEU 108 7.069 -5.935 7.349 889 1HD2 LEU 108 3HD2 LEU 108 5.899 -4.593 3.488 890 2HD2 LEU 108 2HD2 LEU 108 7.057 -5.913 3.647 891 3HD2 LEU 108 1HD2 LEU 108 5.360 -6.176 4.049 892 H HIS 109 H HIS 109 6.852 -4.063 9.603 893 HA HIS 109 HA HIS 109 8.451 -1.756 9.005 894 1HB HIS 109 HB2 HIS 109 8.391 -3.764 11.207 895 2HB HIS 109 HB3 HIS 109 9.792 -2.719 11.022 896 HD1 HIS 109 HD1 HIS 109 9.610 -0.418 11.982 897 HD2 HIS 109 HD2 HIS 109 5.923 -2.306 11.669 898 HE1 HIS 109 HE1 HIS 109 7.978 1.100 13.145 899 HE2 HIS 109 HE2 HIS 109 5.767 -0.100 13.009 900 H LEU 110 H LEU 110 10.528 -1.664 8.343 901 HA LEU 110 HA LEU 110 11.939 -4.114 7.646 902 1HB LEU 110 HB2 LEU 110 11.304 -1.932 5.660 903 2HB LEU 110 HB3 LEU 110 12.396 -3.268 5.359 904 HG LEU 110 HG LEU 110 9.433 -3.529 5.910 905 1HD1 LEU 110 2HD1 LEU 110 10.979 -3.755 3.333 906 2HD1 LEU 110 1HD1 LEU 110 9.267 -4.125 3.540 907 3HD1 LEU 110 3HD1 LEU 110 9.844 -2.475 3.763 908 1HD2 LEU 110 3HD2 LEU 110 10.855 -5.454 6.622 909 2HD2 LEU 110 2HD2 LEU 110 9.674 -5.840 5.371 910 3HD2 LEU 110 1HD2 LEU 110 11.371 -5.621 4.946 911 H ASN 111 H ASN 111 13.724 -3.757 8.874 912 HA ASN 111 HA ASN 111 14.923 -1.142 9.061 913 1HB ASN 111 HB2 ASN 111 14.938 -2.758 10.967 914 2HB ASN 111 HB3 ASN 111 16.000 -3.803 10.031 915 1HD2 ASN 111 1HD2 ASN 111 18.134 -3.201 9.700 916 2HD2 ASN 111 2HD2 ASN 111 18.894 -1.953 10.621 917 H VAL 112 H VAL 112 15.034 -1.121 6.654 918 HA VAL 112 HA VAL 112 16.541 -2.673 5.010 919 HB VAL 112 HB VAL 112 16.854 0.284 4.718 920 1HG1 VAL 112 1HG1 VAL 112 17.733 -1.268 3.029 921 2HG1 VAL 112 3HG1 VAL 112 16.104 -1.900 2.786 922 3HG1 VAL 112 2HG1 VAL 112 16.468 -0.223 2.380 923 1HG2 VAL 112 3HG2 VAL 112 14.251 -1.212 4.534 924 2HG2 VAL 112 2HG2 VAL 112 14.614 0.234 5.477 925 3HG2 VAL 112 1HG2 VAL 112 14.536 0.325 3.718 926 H LYS 113 H LYS 113 18.573 -3.366 5.100 927 HA LYS 113 HA LYS 113 20.514 -2.153 6.813 928 1HB LYS 113 HB2 LYS 113 20.780 -4.386 4.795 929 2HB LYS 113 HB3 LYS 113 21.998 -3.937 5.975 930 1HG LYS 113 HG2 LYS 113 19.242 -4.969 6.603 931 2HG LYS 113 HG3 LYS 113 20.740 -5.897 6.686 932 1HD LYS 113 HD2 LYS 113 20.136 -3.432 8.320 933 2HD LYS 113 HD3 LYS 113 19.986 -5.094 8.898 934 1HE LYS 113 HE2 LYS 113 22.381 -5.439 8.480 935 2HE LYS 113 HE3 LYS 113 22.520 -3.765 7.946 936 1HZ LYS 113 HZ2 LYS 113 21.837 -3.045 10.151 937 2HZ LYS 113 HZ1 LYS 113 21.713 -4.652 10.662 938 3HZ LYS 113 HZ3 LYS 113 23.222 -4.012 10.238 No H/Q in entry = 938 Start of MODEL 13 1 H1 GLY -2 HT1 GLY -2 -17.933 -23.974 17.693 2 H2 GLY -2 HT3 GLY -2 -18.894 -24.876 16.632 3 H3 GLY -2 HT2 GLY -2 -17.545 -25.586 17.363 4 1HA GLY -2 HA2 GLY -2 -17.487 -23.364 15.395 5 2HA GLY -2 HA3 GLY -2 -17.079 -25.040 15.057 6 H SER -1 H SER -1 -15.005 -24.306 14.353 7 HA SER -1 HA SER -1 -13.235 -23.237 16.417 8 1HB SER -1 HB2 SER -1 -12.683 -25.809 14.918 9 2HB SER -1 HB3 SER -1 -11.545 -24.987 15.986 10 HG SER -1 HG SER -1 -13.045 -25.312 17.690 11 H HIS 0 H HIS 0 -14.349 -23.172 13.325 12 HA HIS 0 HA HIS 0 -12.054 -21.593 12.444 13 1HB HIS 0 HB2 HIS 0 -11.705 -23.850 11.519 14 2HB HIS 0 HB3 HIS 0 -13.296 -23.785 10.768 15 HD1 HIS 0 HD1 HIS 0 -9.806 -22.546 10.391 16 HD2 HIS 0 HD2 HIS 0 -13.474 -22.151 8.480 17 HE1 HIS 0 HE1 HIS 0 -9.296 -21.481 8.171 18 HE2 HIS 0 HE2 HIS 0 -11.519 -21.336 6.995 19 H MET 1 H MET 1 -12.960 -19.654 12.192 20 HA MET 1 HA MET 1 -15.554 -19.489 10.808 21 1HB MET 1 HB2 MET 1 -14.278 -17.585 12.777 22 2HB MET 1 HB3 MET 1 -15.754 -17.238 11.886 23 1HG MET 1 HG2 MET 1 -16.381 -17.956 14.052 24 2HG MET 1 HG3 MET 1 -16.772 -19.259 12.930 25 1HE MET 1 HE1 MET 1 -17.030 -20.939 14.973 26 2HE MET 1 HE3 MET 1 -15.788 -21.182 16.202 27 3HE MET 1 HE2 MET 1 -16.637 -19.639 16.097 28 H ILE 2 H ILE 2 -15.859 -17.845 9.243 29 HA ILE 2 HA ILE 2 -13.466 -17.276 7.720 30 HB ILE 2 HB ILE 2 -15.017 -16.332 6.042 31 1HG1 ILE 2 2HG1 ILE 2 -17.190 -17.194 7.967 32 2HG1 ILE 2 3HG1 ILE 2 -16.723 -15.524 7.668 33 1HG2 ILE 2 2HG2 ILE 2 -14.433 -18.695 5.986 34 2HG2 ILE 2 1HG2 ILE 2 -15.779 -19.064 7.065 35 3HG2 ILE 2 3HG2 ILE 2 -16.093 -18.447 5.442 36 1HD1 ILE 2 3HD1 ILE 2 -17.401 -15.753 5.335 37 2HD1 ILE 2 2HD1 ILE 2 -17.874 -17.424 5.640 38 3HD1 ILE 2 1HD1 ILE 2 -18.728 -16.105 6.441 39 H ALA 3 H ALA 3 -14.899 -15.797 10.263 40 HA ALA 3 HA ALA 3 -14.655 -13.060 9.334 41 1HB ALA 3 HB1 ALA 3 -15.308 -14.126 12.080 42 2HB ALA 3 HB2 ALA 3 -16.481 -13.667 10.846 43 3HB ALA 3 HB3 ALA 3 -15.432 -12.445 11.562 44 HA PRO 4 HA PRO 4 -10.499 -12.363 10.645 45 1HB PRO 4 HB2 PRO 4 -10.638 -9.799 11.565 46 2HB PRO 4 HB3 PRO 4 -10.642 -10.219 9.849 47 1HG PRO 4 HG2 PRO 4 -12.944 -9.558 11.646 48 2HG PRO 4 HG3 PRO 4 -12.637 -9.030 9.981 49 1HD PRO 4 HD2 PRO 4 -14.367 -11.017 10.558 50 2HD PRO 4 HD3 PRO 4 -13.385 -11.021 9.079 51 H LEU 5 H LEU 5 -13.013 -11.367 12.938 52 HA LEU 5 HA LEU 5 -13.174 -11.504 15.201 53 1HB LEU 5 HB2 LEU 5 -12.614 -13.910 14.596 54 2HB LEU 5 HB3 LEU 5 -10.964 -13.548 15.061 55 HG LEU 5 HG LEU 5 -11.787 -12.971 17.344 56 1HD1 LEU 5 2HD1 LEU 5 -14.084 -12.406 16.768 57 2HD1 LEU 5 1HD1 LEU 5 -14.391 -14.082 16.309 58 3HD1 LEU 5 3HD1 LEU 5 -14.035 -13.678 17.990 59 1HD2 LEU 5 2HD2 LEU 5 -12.439 -15.745 16.365 60 2HD2 LEU 5 1HD2 LEU 5 -10.853 -15.167 16.870 61 3HD2 LEU 5 3HD2 LEU 5 -12.164 -15.282 18.044 62 H SER 6 H SER 6 -11.254 -9.664 13.947 63 HA SER 6 HA SER 6 -9.708 -8.117 14.566 64 1HB SER 6 HB2 SER 6 -10.299 -9.151 17.350 65 2HB SER 6 HB3 SER 6 -9.429 -7.663 16.979 66 HG SER 6 HG SER 6 -12.090 -8.111 17.059 67 H VAL 7 H VAL 7 -9.051 -11.109 14.230 68 HA VAL 7 HA VAL 7 -6.301 -10.914 15.273 69 HB VAL 7 HB VAL 7 -7.977 -13.418 15.027 70 1HG1 VAL 7 2HG1 VAL 7 -5.108 -13.073 15.893 71 2HG1 VAL 7 1HG1 VAL 7 -6.037 -14.567 16.019 72 3HG1 VAL 7 3HG1 VAL 7 -5.673 -13.885 14.433 73 1HG2 VAL 7 3HG2 VAL 7 -8.554 -12.048 16.964 74 2HG2 VAL 7 2HG2 VAL 7 -7.755 -13.541 17.456 75 3HG2 VAL 7 1HG2 VAL 7 -6.861 -12.021 17.456 76 H LYS 8 H LYS 8 -4.850 -10.800 13.703 77 HA LYS 8 HA LYS 8 -4.731 -12.549 11.509 78 1HB LYS 8 HB2 LYS 8 -6.621 -11.167 10.699 79 2HB LYS 8 HB3 LYS 8 -5.609 -9.736 10.823 80 1HG LYS 8 HG2 LYS 8 -5.700 -10.445 8.536 81 2HG LYS 8 HG3 LYS 8 -4.073 -10.721 9.161 82 1HD LYS 8 HD2 LYS 8 -4.604 -13.085 9.507 83 2HD LYS 8 HD3 LYS 8 -6.233 -12.810 8.886 84 1HE LYS 8 HE2 LYS 8 -4.790 -13.775 7.173 85 2HE LYS 8 HE3 LYS 8 -5.309 -12.150 6.728 86 1HZ LYS 8 HZ2 LYS 8 -3.169 -11.304 7.471 87 2HZ LYS 8 HZ1 LYS 8 -2.672 -12.864 7.894 88 3HZ LYS 8 HZ3 LYS 8 -2.964 -12.479 6.271 89 H ASP 9 H ASP 9 -2.698 -12.567 10.739 90 HA ASP 9 HA ASP 9 -0.661 -11.177 12.028 91 1HB ASP 9 HB2 ASP 9 -0.336 -13.282 10.743 92 2HB ASP 9 HB3 ASP 9 -0.548 -12.372 9.251 93 H ASN 10 H ASN 10 -0.118 -9.101 11.939 94 HA ASN 10 HA ASN 10 -0.629 -7.636 9.452 95 1HB ASN 10 HB2 ASN 10 -0.837 -5.638 11.131 96 2HB ASN 10 HB3 ASN 10 -2.211 -6.680 10.814 97 1HD2 ASN 10 1HD2 ASN 10 -1.512 -4.988 13.102 98 2HD2 ASN 10 2HD2 ASN 10 -1.543 -6.035 14.470 99 H ASP 11 H ASP 11 0.760 -6.187 12.246 100 HA ASP 11 HA ASP 11 2.889 -5.020 10.974 101 1HB ASP 11 HB2 ASP 11 3.867 -4.953 13.381 102 2HB ASP 11 HB3 ASP 11 2.374 -4.090 13.031 103 H LYS 12 H LYS 12 4.183 -6.230 9.742 104 HA LYS 12 HA LYS 12 5.450 -8.605 10.854 105 1HB LYS 12 HB2 LYS 12 4.613 -8.937 8.655 106 2HB LYS 12 HB3 LYS 12 5.314 -7.431 8.081 107 1HG LYS 12 HG2 LYS 12 6.580 -9.284 7.230 108 2HG LYS 12 HG3 LYS 12 7.553 -8.384 8.395 109 1HD LYS 12 HD2 LYS 12 7.055 -10.040 10.114 110 2HD LYS 12 HD3 LYS 12 6.045 -10.932 8.974 111 1HE LYS 12 HE2 LYS 12 7.997 -11.319 7.551 112 2HE LYS 12 HE3 LYS 12 9.005 -10.425 8.688 113 1HZ LYS 12 HZ3 LYS 12 7.533 -12.932 9.294 114 2HZ LYS 12 HZ2 LYS 12 9.195 -12.815 9.006 115 3HZ LYS 12 HZ1 LYS 12 8.520 -12.081 10.373 116 H TRP 13 H TRP 13 6.902 -7.759 12.310 117 HA TRP 13 HA TRP 13 8.718 -5.660 11.670 118 1HB TRP 13 HB2 TRP 13 9.062 -7.588 13.944 119 2HB TRP 13 HB3 TRP 13 9.446 -5.875 13.875 120 HD1 TRP 13 HD1 TRP 13 6.442 -8.231 14.274 121 HE1 TRP 13 HE1 TRP 13 4.488 -6.914 15.304 122 HE3 TRP 13 HE3 TRP 13 8.512 -3.554 14.257 123 HZ2 TRP 13 HZ2 TRP 13 3.885 -4.242 16.005 124 HZ3 TRP 13 HZ3 TRP 13 7.185 -1.676 15.133 125 HH2 TRP 13 HH2 TRP 13 4.925 -2.015 15.993 126 H VAL 14 H VAL 14 10.222 -6.016 10.106 127 HA VAL 14 HA VAL 14 12.174 -8.116 10.583 128 HB VAL 14 HB VAL 14 10.316 -9.216 9.298 129 1HG1 VAL 14 1HG1 VAL 14 9.697 -7.352 7.871 130 2HG1 VAL 14 3HG1 VAL 14 11.273 -7.421 7.081 131 3HG1 VAL 14 2HG1 VAL 14 10.138 -8.760 6.904 132 1HG2 VAL 14 2HG2 VAL 14 12.771 -9.909 9.306 133 2HG2 VAL 14 1HG2 VAL 14 11.738 -10.550 8.028 134 3HG2 VAL 14 3HG2 VAL 14 12.834 -9.212 7.685 135 H ASP 15 H ASP 15 13.802 -8.151 8.762 136 HA ASP 15 HA ASP 15 14.608 -5.400 8.225 137 1HB ASP 15 HB2 ASP 15 15.975 -8.048 8.379 138 2HB ASP 15 HB3 ASP 15 16.733 -6.766 7.434 139 H THR 16 H THR 16 16.150 -5.533 6.016 140 HA THR 16 HA THR 16 15.092 -6.989 3.842 141 HB THR 16 HB THR 16 13.178 -5.370 4.403 142 HG1 THR 16 HG1 THR 16 13.324 -6.488 2.405 143 1HG2 THR 16 3HG2 THR 16 14.580 -3.372 4.715 144 2HG2 THR 16 2HG2 THR 16 15.032 -3.439 3.011 145 3HG2 THR 16 1HG2 THR 16 13.356 -3.133 3.467 146 H HIS 17 H HIS 17 15.536 -5.595 1.688 147 HA HIS 17 HA HIS 17 18.260 -4.505 1.956 148 1HB HIS 17 HB2 HIS 17 17.036 -6.394 0.019 149 2HB HIS 17 HB3 HIS 17 18.184 -5.231 -0.635 150 HD1 HIS 17 HD1 HIS 17 20.630 -5.697 -0.254 151 HD2 HIS 17 HD2 HIS 17 18.155 -8.167 1.991 152 HE1 HIS 17 HE1 HIS 17 22.147 -7.427 0.759 153 HE2 HIS 17 HE2 HIS 17 20.617 -8.958 2.050 154 H VAL 18 H VAL 18 18.454 -3.489 -0.685 155 HA VAL 18 HA VAL 18 16.768 -1.132 -0.368 156 HB VAL 18 HB VAL 18 18.999 -1.573 -2.352 157 1HG1 VAL 18 3HG1 VAL 18 17.542 0.919 -1.465 158 2HG1 VAL 18 2HG1 VAL 18 18.976 0.899 -2.492 159 3HG1 VAL 18 1HG1 VAL 18 17.476 0.165 -3.058 160 1HG2 VAL 18 2HG2 VAL 18 19.044 -0.210 0.340 161 2HG2 VAL 18 1HG2 VAL 18 19.840 -1.729 -0.075 162 3HG2 VAL 18 3HG2 VAL 18 20.368 -0.223 -0.826 163 H GLY 19 H GLY 19 15.138 -0.572 -1.624 164 1HA GLY 19 HA3 GLY 19 14.767 -1.103 -4.325 165 2HA GLY 19 HA2 GLY 19 13.490 -0.694 -3.196 166 H LYS 20 H LYS 20 14.289 -3.252 -1.663 167 HA LYS 20 HA LYS 20 13.741 -5.439 -3.344 168 1HB LYS 20 HB2 LYS 20 14.513 -5.180 -0.755 169 2HB LYS 20 HB3 LYS 20 12.838 -5.644 -0.541 170 1HG LYS 20 HG2 LYS 20 13.965 -7.661 -0.513 171 2HG LYS 20 HG3 LYS 20 13.368 -7.550 -2.174 172 1HD LYS 20 HD2 LYS 20 15.469 -6.965 -3.010 173 2HD LYS 20 HD3 LYS 20 16.060 -6.515 -1.414 174 1HE LYS 20 HE2 LYS 20 15.419 -9.315 -2.337 175 2HE LYS 20 HE3 LYS 20 17.037 -8.632 -2.172 176 1HZ LYS 20 HZ1 LYS 20 16.646 -8.370 0.198 177 2HZ LYS 20 HZ3 LYS 20 15.094 -9.024 0.039 178 3HZ LYS 20 HZ2 LYS 20 16.452 -9.985 -0.263 179 H THR 21 H THR 21 12.014 -4.753 -4.654 180 HA THR 21 HA THR 21 9.571 -3.755 -3.873 181 HB THR 21 HB THR 21 9.800 -5.771 -6.095 182 HG1 THR 21 HG1 THR 21 11.545 -4.147 -6.115 183 1HG2 THR 21 2HG2 THR 21 7.575 -4.866 -5.574 184 2HG2 THR 21 1HG2 THR 21 8.193 -3.229 -5.786 185 3HG2 THR 21 3HG2 THR 21 8.135 -4.335 -7.159 186 H THR 22 H THR 22 8.588 -4.592 -2.118 187 HA THR 22 HA THR 22 8.053 -7.471 -2.035 188 HB THR 22 HB THR 22 7.780 -5.317 0.070 189 HG1 THR 22 HG1 THR 22 9.825 -5.925 0.190 190 1HG2 THR 22 3HG2 THR 22 5.949 -6.949 0.304 191 2HG2 THR 22 2HG2 THR 22 7.132 -8.256 0.332 192 3HG2 THR 22 1HG2 THR 22 7.105 -7.063 1.631 193 H GLU 23 H GLU 23 6.372 -7.887 -3.317 194 HA GLU 23 HA GLU 23 4.078 -6.199 -3.515 195 1HB GLU 23 HB2 GLU 23 4.995 -7.693 -5.332 196 2HB GLU 23 HB3 GLU 23 4.372 -9.061 -4.422 197 1HG GLU 23 HG2 GLU 23 2.113 -8.276 -4.669 198 2HG GLU 23 HG3 GLU 23 2.688 -6.781 -5.410 199 H ILE 24 H ILE 24 2.211 -6.316 -2.464 200 HA ILE 24 HA ILE 24 1.748 -8.617 -0.692 201 HB ILE 24 HB ILE 24 1.097 -5.779 0.037 202 1HG1 ILE 24 2HG1 ILE 24 3.444 -7.426 0.993 203 2HG1 ILE 24 3HG1 ILE 24 3.555 -6.115 -0.176 204 1HG2 ILE 24 2HG2 ILE 24 -0.248 -7.523 1.110 205 2HG2 ILE 24 1HG2 ILE 24 1.226 -8.293 1.696 206 3HG2 ILE 24 3HG2 ILE 24 0.781 -6.687 2.274 207 1HD1 ILE 24 2HD1 ILE 24 2.551 -4.637 1.623 208 2HD1 ILE 24 1HD1 ILE 24 2.895 -5.959 2.738 209 3HD1 ILE 24 3HD1 ILE 24 4.210 -5.183 1.858 210 H HIS 25 H HIS 25 0.178 -9.519 -1.997 211 HA HIS 25 HA HIS 25 -2.051 -7.926 -2.926 212 1HB HIS 25 HB2 HIS 25 -1.196 -10.773 -3.249 213 2HB HIS 25 HB3 HIS 25 -2.866 -10.343 -3.570 214 HD1 HIS 25 HD1 HIS 25 -3.012 -10.397 -6.052 215 HD2 HIS 25 HD2 HIS 25 0.339 -8.337 -4.721 216 HE1 HIS 25 HE1 HIS 25 -1.958 -9.423 -8.117 217 HE2 HIS 25 HE2 HIS 25 0.019 -8.107 -7.276 218 H LEU 26 H LEU 26 -2.715 -7.247 -0.790 219 HA LEU 26 HA LEU 26 -3.591 -9.103 1.172 220 1HB LEU 26 HB2 LEU 26 -4.301 -6.204 0.774 221 2HB LEU 26 HB3 LEU 26 -4.687 -7.139 2.205 222 HG LEU 26 HG LEU 26 -1.877 -6.587 1.245 223 1HD1 LEU 26 3HD1 LEU 26 -3.466 -5.262 3.439 224 2HD1 LEU 26 2HD1 LEU 26 -1.756 -4.997 3.099 225 3HD1 LEU 26 1HD1 LEU 26 -2.974 -4.519 1.916 226 1HD2 LEU 26 1HD2 LEU 26 -2.128 -8.635 2.570 227 2HD2 LEU 26 3HD2 LEU 26 -1.219 -7.399 3.438 228 3HD2 LEU 26 2HD2 LEU 26 -2.906 -7.704 3.851 229 H LYS 27 H LYS 27 -5.800 -9.344 1.932 230 HA LYS 27 HA LYS 27 -7.731 -9.345 -0.293 231 1HB LYS 27 HB2 LYS 27 -7.881 -11.127 2.131 232 2HB LYS 27 HB3 LYS 27 -8.738 -11.294 0.607 233 1HG LYS 27 HG2 LYS 27 -6.649 -11.833 -0.526 234 2HG LYS 27 HG3 LYS 27 -5.774 -11.651 0.996 235 1HD LYS 27 HD2 LYS 27 -7.087 -13.479 1.965 236 2HD LYS 27 HD3 LYS 27 -7.952 -13.665 0.437 237 1HE LYS 27 HE2 LYS 27 -4.986 -14.032 0.851 238 2HE LYS 27 HE3 LYS 27 -6.171 -15.324 0.665 239 1HZ LYS 27 HZ2 LYS 27 -5.525 -13.269 -1.379 240 2HZ LYS 27 HZ1 LYS 27 -5.013 -14.881 -1.405 241 3HZ LYS 27 HZ3 LYS 27 -6.657 -14.512 -1.556 242 H GLY 28 H GLY 28 -10.039 -9.179 0.433 243 1HA GLY 28 HA3 GLY 28 -10.270 -6.883 2.168 244 2HA GLY 28 HA2 GLY 28 -11.000 -8.338 2.824 245 H ASN 29 H ASN 29 -12.163 -5.752 1.933 246 HA ASN 29 HA ASN 29 -13.600 -6.156 -0.475 247 1HB ASN 29 HB2 ASN 29 -14.731 -7.891 0.828 248 2HB ASN 29 HB3 ASN 29 -15.101 -6.720 2.091 249 1HD2 ASN 29 1HD2 ASN 29 -17.301 -7.021 1.912 250 2HD2 ASN 29 2HD2 ASN 29 -18.212 -6.442 0.564 251 HA PRO 30 HA PRO 30 -13.491 -1.757 0.676 252 1HB PRO 30 HB2 PRO 30 -14.467 -0.933 -1.776 253 2HB PRO 30 HB3 PRO 30 -12.760 -1.180 -1.402 254 1HG PRO 30 HG2 PRO 30 -14.684 -3.003 -2.785 255 2HG PRO 30 HG3 PRO 30 -12.981 -2.678 -3.159 256 1HD PRO 30 HD2 PRO 30 -13.729 -4.915 -1.889 257 2HD PRO 30 HD3 PRO 30 -12.215 -4.083 -1.477 258 H THR 31 H THR 31 -16.129 -3.666 -0.576 259 HA THR 31 HA THR 31 -18.207 -1.814 -0.431 260 HB THR 31 HB THR 31 -18.422 -4.771 0.147 261 HG1 THR 31 HG1 THR 31 -18.050 -3.337 -2.251 262 1HG2 THR 31 3HG2 THR 31 -20.375 -2.778 -0.993 263 2HG2 THR 31 2HG2 THR 31 -20.664 -4.507 -0.811 264 3HG2 THR 31 1HG2 THR 31 -20.442 -3.496 0.615 265 H THR 32 H THR 32 -16.544 -3.595 2.053 266 HA THR 32 HA THR 32 -18.440 -3.498 4.106 267 HB THR 32 HB THR 32 -16.571 -3.736 5.668 268 HG1 THR 32 HG1 THR 32 -15.191 -2.605 3.581 269 1HG2 THR 32 1HG2 THR 32 -16.187 -5.342 3.138 270 2HG2 THR 32 3HG2 THR 32 -15.574 -5.777 4.734 271 3HG2 THR 32 2HG2 THR 32 -17.313 -5.717 4.443 272 H GLY 33 H GLY 33 -16.131 -1.096 2.969 273 1HA GLY 33 HA3 GLY 33 -17.221 0.800 4.953 274 2HA GLY 33 HA2 GLY 33 -17.048 1.236 3.261 275 H TYR 34 H TYR 34 -14.556 -0.769 4.429 276 HA TYR 34 HA TYR 34 -12.862 1.540 5.067 277 1HB TYR 34 HB2 TYR 34 -12.496 -1.403 5.630 278 2HB TYR 34 HB3 TYR 34 -11.279 -0.179 5.977 279 HD1 TYR 34 HD1 TYR 34 -14.722 -1.271 6.805 280 HD2 TYR 34 HD2 TYR 34 -11.379 1.103 7.965 281 HE1 TYR 34 HE1 TYR 34 -15.768 -0.877 8.994 282 HE2 TYR 34 HE2 TYR 34 -12.422 1.501 10.154 283 HH TYR 34 HH TYR 34 -15.089 -0.268 11.278 284 H MET 35 H MET 35 -10.400 0.764 4.555 285 HA MET 35 HA MET 35 -10.168 -0.250 1.857 286 1HB MET 35 HB2 MET 35 -10.374 2.003 1.286 287 2HB MET 35 HB3 MET 35 -9.578 2.549 2.758 288 1HG MET 35 HG2 MET 35 -7.465 1.599 1.880 289 2HG MET 35 HG3 MET 35 -8.306 1.262 0.383 290 1HE MET 35 HE3 MET 35 -6.050 2.667 -0.490 291 2HE MET 35 HE2 MET 35 -7.478 2.723 -1.522 292 3HE MET 35 HE1 MET 35 -6.561 4.195 -1.206 293 H TRP 36 H TRP 36 -8.037 -0.902 1.368 294 HA TRP 36 HA TRP 36 -6.322 -1.182 3.739 295 1HB TRP 36 HB2 TRP 36 -7.025 -2.979 1.531 296 2HB TRP 36 HB3 TRP 36 -5.306 -2.917 1.887 297 HD1 TRP 36 HD1 TRP 36 -8.183 -4.875 2.795 298 HE1 TRP 36 HE1 TRP 36 -7.905 -6.016 5.088 299 HE3 TRP 36 HE3 TRP 36 -4.214 -2.182 4.571 300 HZ2 TRP 36 HZ2 TRP 36 -6.232 -5.801 7.344 301 HZ3 TRP 36 HZ3 TRP 36 -3.340 -2.714 6.806 302 HH2 TRP 36 HH2 TRP 36 -4.330 -4.484 8.162 303 H THR 37 H THR 37 -5.089 0.635 3.668 304 HA THR 37 HA THR 37 -3.174 0.799 1.470 305 HB THR 37 HB THR 37 -5.106 2.290 0.880 306 HG1 THR 37 HG1 THR 37 -3.186 4.177 1.189 307 1HG2 THR 37 1HG2 THR 37 -5.667 2.998 3.167 308 2HG2 THR 37 3HG2 THR 37 -4.138 3.871 3.267 309 3HG2 THR 37 2HG2 THR 37 -5.370 4.380 2.113 310 H ARG 38 H ARG 38 -1.932 3.214 2.188 311 HA ARG 38 HA ARG 38 -0.641 2.377 4.636 312 1HB ARG 38 HB2 ARG 38 0.013 4.282 2.444 313 2HB ARG 38 HB3 ARG 38 0.723 4.572 4.019 314 1HG ARG 38 HG2 ARG 38 1.868 2.548 4.018 315 2HG ARG 38 HG3 ARG 38 0.922 1.927 2.663 316 1HD ARG 38 HD2 ARG 38 3.329 2.821 2.286 317 2HD ARG 38 HD3 ARG 38 2.082 3.154 1.116 318 HE ARG 38 HE ARG 38 1.934 5.391 2.133 319 1HH1 ARG 38 1HH1 ARG 38 4.765 3.457 2.756 320 2HH1 ARG 38 2HH1 ARG 38 5.815 4.820 2.956 321 1HH2 ARG 38 1HH2 ARG 38 3.327 7.197 2.370 322 2HH2 ARG 38 2HH2 ARG 38 4.999 6.939 2.740 323 H VAL 39 H VAL 39 -0.221 3.827 6.414 324 HA VAL 39 HA VAL 39 -2.587 5.206 7.241 325 HB VAL 39 HB VAL 39 0.113 5.142 8.599 326 1HG1 VAL 39 3HG1 VAL 39 -2.641 5.749 9.671 327 2HG1 VAL 39 2HG1 VAL 39 -1.169 5.630 10.634 328 3HG1 VAL 39 1HG1 VAL 39 -1.334 6.909 9.431 329 1HG2 VAL 39 1HG2 VAL 39 -1.052 2.903 8.072 330 2HG2 VAL 39 3HG2 VAL 39 -0.491 3.198 9.719 331 3HG2 VAL 39 2HG2 VAL 39 -2.202 3.383 9.320 332 H GLY 40 H GLY 40 -3.033 7.333 7.236 333 1HA GLY 40 HA3 GLY 40 -0.951 9.325 7.059 334 2HA GLY 40 HA2 GLY 40 -2.681 9.624 7.132 335 H PHE 41 H PHE 41 -2.429 7.412 4.801 336 HA PHE 41 HA PHE 41 -2.192 9.449 2.690 337 1HB PHE 41 HB2 PHE 41 -1.241 6.583 2.510 338 2HB PHE 41 HB3 PHE 41 -1.112 7.804 1.247 339 HD1 PHE 41 HD1 PHE 41 0.235 9.920 1.817 340 HD2 PHE 41 HD2 PHE 41 0.442 6.309 4.042 341 HE1 PHE 41 HE1 PHE 41 2.391 10.639 2.766 342 HE2 PHE 41 HE2 PHE 41 2.598 7.014 5.002 343 HZ PHE 41 HZ PHE 41 3.575 9.184 4.364 344 H VAL 42 H VAL 42 -4.221 7.552 4.277 345 HA VAL 42 HA VAL 42 -5.698 6.010 2.594 346 HB VAL 42 HB VAL 42 -6.329 6.212 4.900 347 1HG1 VAL 42 3HG1 VAL 42 -5.736 8.544 5.256 348 2HG1 VAL 42 2HG1 VAL 42 -7.108 9.057 4.275 349 3HG1 VAL 42 1HG1 VAL 42 -7.381 8.229 5.807 350 1HG2 VAL 42 2HG2 VAL 42 -8.533 7.238 3.117 351 2HG2 VAL 42 1HG2 VAL 42 -8.104 5.549 3.388 352 3HG2 VAL 42 3HG2 VAL 42 -8.760 6.515 4.711 353 H GLY 43 H GLY 43 -6.997 6.270 0.868 354 1HA GLY 43 HA3 GLY 43 -8.001 8.938 0.206 355 2HA GLY 43 HA2 GLY 43 -8.522 7.424 -0.520 356 H LYS 44 H LYS 44 -5.169 8.391 -0.118 357 HA LYS 44 HA LYS 44 -4.801 9.463 -2.705 358 1HB LYS 44 HB2 LYS 44 -2.756 8.221 -0.858 359 2HB LYS 44 HB3 LYS 44 -2.418 9.280 -2.215 360 1HG LYS 44 HG2 LYS 44 -3.666 11.082 -1.079 361 2HG LYS 44 HG3 LYS 44 -3.870 10.013 0.313 362 1HD LYS 44 HD2 LYS 44 -1.443 9.866 0.560 363 2HD LYS 44 HD3 LYS 44 -1.232 10.922 -0.840 364 1HE LYS 44 HE2 LYS 44 -2.607 11.657 1.740 365 2HE LYS 44 HE3 LYS 44 -0.987 12.154 1.255 366 1HZ LYS 44 HZ1 LYS 44 -3.501 12.850 -0.164 367 2HZ LYS 44 HZ3 LYS 44 -2.611 13.889 0.831 368 3HZ LYS 44 HZ2 LYS 44 -1.945 13.332 -0.621 369 H ASP 45 H ASP 45 -2.626 8.211 -3.788 370 HA ASP 45 HA ASP 45 -3.571 5.490 -4.386 371 1HB ASP 45 HB2 ASP 45 -3.449 7.751 -6.146 372 2HB ASP 45 HB3 ASP 45 -2.311 6.527 -6.695 373 H VAL 46 H VAL 46 -0.849 7.749 -4.605 374 HA VAL 46 HA VAL 46 1.081 5.688 -5.050 375 HB VAL 46 HB VAL 46 1.560 7.858 -5.930 376 1HG1 VAL 46 2HG1 VAL 46 0.236 9.187 -4.380 377 2HG1 VAL 46 1HG1 VAL 46 1.409 8.882 -3.098 378 3HG1 VAL 46 3HG1 VAL 46 1.875 9.827 -4.513 379 1HG2 VAL 46 2HG2 VAL 46 3.490 6.567 -5.177 380 2HG2 VAL 46 1HG2 VAL 46 3.773 8.298 -4.998 381 3HG2 VAL 46 3HG2 VAL 46 3.379 7.319 -3.585 382 H LEU 47 H LEU 47 0.228 7.696 -2.254 383 HA LEU 47 HA LEU 47 0.422 7.356 -0.024 384 1HB LEU 47 HB2 LEU 47 1.593 4.649 -0.462 385 2HB LEU 47 HB3 LEU 47 0.591 5.220 0.851 386 HG LEU 47 HG LEU 47 -0.380 4.737 -1.965 387 1HD1 LEU 47 3HD1 LEU 47 -0.686 3.077 0.533 388 2HD1 LEU 47 2HD1 LEU 47 -1.551 2.801 -0.979 389 3HD1 LEU 47 1HD1 LEU 47 0.205 2.640 -0.925 390 1HD2 LEU 47 3HD2 LEU 47 -1.862 5.417 0.571 391 2HD2 LEU 47 2HD2 LEU 47 -1.662 6.454 -0.840 392 3HD2 LEU 47 1HD2 LEU 47 -2.612 4.973 -0.962 393 H SER 48 H SER 48 3.119 5.626 -1.529 394 HA SER 48 HA SER 48 5.134 6.129 0.224 395 1HB SER 48 HB2 SER 48 6.629 5.615 -1.537 396 2HB SER 48 HB3 SER 48 5.149 4.742 -1.910 397 HG SER 48 HG SER 48 5.454 5.713 -3.771 398 H ASP 49 H ASP 49 7.195 7.490 -0.562 399 HA ASP 49 HA ASP 49 6.538 10.134 -1.507 400 1HB ASP 49 HB2 ASP 49 7.249 9.645 1.380 401 2HB ASP 49 HB3 ASP 49 7.519 11.201 0.600 402 H GLU 50 H GLU 50 9.103 9.336 0.761 403 HA GLU 50 HA GLU 50 11.052 9.404 -1.437 404 1HB GLU 50 HB2 GLU 50 12.499 10.824 -0.091 405 2HB GLU 50 HB3 GLU 50 10.935 11.592 -0.333 406 1HG GLU 50 HG2 GLU 50 10.245 10.856 1.905 407 2HG GLU 50 HG3 GLU 50 11.849 10.167 2.153 408 H ILE 51 H ILE 51 10.174 8.283 1.749 409 HA ILE 51 HA ILE 51 12.615 6.900 2.289 410 HB ILE 51 HB ILE 51 9.906 6.372 3.503 411 1HG1 ILE 51 2HG1 ILE 51 10.536 8.784 3.573 412 2HG1 ILE 51 3HG1 ILE 51 10.409 8.040 5.160 413 1HG2 ILE 51 2HG2 ILE 51 12.708 5.897 4.503 414 2HG2 ILE 51 1HG2 ILE 51 11.243 5.669 5.457 415 3HG2 ILE 51 3HG2 ILE 51 11.529 4.673 4.030 416 1HD1 ILE 51 3HD1 ILE 51 12.984 8.525 3.680 417 2HD1 ILE 51 2HD1 ILE 51 12.335 9.550 4.962 418 3HD1 ILE 51 1HD1 ILE 51 12.815 7.891 5.318 419 H LEU 52 H LEU 52 9.417 5.396 2.121 420 HA LEU 52 HA LEU 52 10.629 3.116 0.723 421 1HB LEU 52 HB2 LEU 52 8.343 3.460 2.583 422 2HB LEU 52 HB3 LEU 52 8.183 2.220 1.354 423 HG LEU 52 HG LEU 52 10.543 2.351 3.213 424 1HD1 LEU 52 3HD1 LEU 52 7.966 0.829 3.568 425 2HD1 LEU 52 2HD1 LEU 52 9.420 0.621 4.545 426 3HD1 LEU 52 1HD1 LEU 52 8.548 2.153 4.577 427 1HD2 LEU 52 3HD2 LEU 52 10.669 1.044 1.070 428 2HD2 LEU 52 2HD2 LEU 52 10.936 0.108 2.542 429 3HD2 LEU 52 1HD2 LEU 52 9.385 0.019 1.708 430 H GLU 53 H GLU 53 10.389 3.093 -1.433 431 HA GLU 53 HA GLU 53 8.421 4.603 -2.811 432 1HB GLU 53 HB2 GLU 53 10.625 2.815 -3.498 433 2HB GLU 53 HB3 GLU 53 9.257 2.647 -4.588 434 1HG GLU 53 HG2 GLU 53 10.067 5.397 -3.972 435 2HG GLU 53 HG3 GLU 53 11.230 4.440 -4.885 436 H VAL 54 H VAL 54 6.642 3.747 -1.447 437 HA VAL 54 HA VAL 54 5.736 1.072 -1.850 438 HB VAL 54 HB VAL 54 4.163 3.385 -0.735 439 1HG1 VAL 54 2HG1 VAL 54 3.907 0.400 -0.421 440 2HG1 VAL 54 1HG1 VAL 54 2.948 1.596 0.449 441 3HG1 VAL 54 3HG1 VAL 54 2.813 1.464 -1.304 442 1HG2 VAL 54 2HG2 VAL 54 6.175 1.571 0.558 443 2HG2 VAL 54 1HG2 VAL 54 6.098 3.330 0.591 444 3HG2 VAL 54 3HG2 VAL 54 4.914 2.379 1.487 445 H VAL 55 H VAL 55 5.597 0.978 -4.160 446 HA VAL 55 HA VAL 55 3.622 2.606 -5.495 447 HB VAL 55 HB VAL 55 4.925 0.113 -6.562 448 1HG1 VAL 55 1HG1 VAL 55 2.912 1.114 -7.704 449 2HG1 VAL 55 3HG1 VAL 55 3.917 2.520 -8.055 450 3HG1 VAL 55 2HG1 VAL 55 4.353 0.940 -8.707 451 1HG2 VAL 55 2HG2 VAL 55 5.941 2.952 -6.706 452 2HG2 VAL 55 1HG2 VAL 55 6.681 1.624 -5.810 453 3HG2 VAL 55 3HG2 VAL 55 6.624 1.576 -7.572 454 H CYS 56 H CYS 56 1.776 2.137 -4.338 455 HA CYS 56 HA CYS 56 0.821 -0.621 -4.279 456 1HB CYS 56 HB2 CYS 56 0.659 0.513 -2.172 457 2HB CYS 56 HB3 CYS 56 -0.155 1.888 -2.913 458 HG CYS 56 HG CYS 56 -2.452 0.327 -3.585 459 H LYS 57 H LYS 57 -1.210 -1.223 -5.029 460 HA LYS 57 HA LYS 57 -2.624 0.652 -6.767 461 1HB LYS 57 HB2 LYS 57 -1.947 -2.145 -7.653 462 2HB LYS 57 HB3 LYS 57 -2.726 -0.890 -8.598 463 1HG LYS 57 HG2 LYS 57 -0.666 0.420 -8.570 464 2HG LYS 57 HG3 LYS 57 0.122 -0.843 -7.622 465 1HD LYS 57 HD2 LYS 57 -0.220 -2.433 -9.446 466 2HD LYS 57 HD3 LYS 57 -1.025 -1.179 -10.393 467 1HE LYS 57 HE2 LYS 57 1.838 -1.118 -9.446 468 2HE LYS 57 HE3 LYS 57 1.301 -1.471 -11.087 469 1HZ LYS 57 HZ2 LYS 57 0.881 1.091 -9.647 470 2HZ LYS 57 HZ1 LYS 57 2.020 0.822 -10.867 471 3HZ LYS 57 HZ3 LYS 57 0.368 0.753 -11.223 472 H TYR 58 H TYR 58 -4.602 0.695 -6.032 473 HA TYR 58 HA TYR 58 -5.731 -1.640 -4.691 474 1HB TYR 58 HB2 TYR 58 -5.810 0.730 -3.702 475 2HB TYR 58 HB3 TYR 58 -7.021 1.079 -4.931 476 HD1 TYR 58 HD1 TYR 58 -8.710 -1.241 -4.997 477 HD2 TYR 58 HD2 TYR 58 -6.838 0.600 -1.634 478 HE1 TYR 58 HE1 TYR 58 -10.457 -2.159 -3.546 479 HE2 TYR 58 HE2 TYR 58 -8.601 -0.309 -0.173 480 HH TYR 58 HH TYR 58 -10.782 -2.707 -1.174 481 H THR 59 H THR 59 -6.585 -3.046 -6.087 482 HA THR 59 HA THR 59 -8.190 -2.018 -8.328 483 HB THR 59 HB THR 59 -6.950 -4.757 -7.955 484 HG1 THR 59 HG1 THR 59 -5.598 -2.801 -8.503 485 1HG2 THR 59 1HG2 THR 59 -8.442 -3.578 -10.307 486 2HG2 THR 59 3HG2 THR 59 -7.614 -5.136 -10.294 487 3HG2 THR 59 2HG2 THR 59 -9.015 -4.873 -9.255 488 HA PRO 60 HA PRO 60 -11.554 -3.899 -5.995 489 1HB PRO 60 HB2 PRO 60 -13.345 -1.974 -6.483 490 2HB PRO 60 HB3 PRO 60 -12.005 -1.710 -5.367 491 1HG PRO 60 HG2 PRO 60 -12.438 -0.616 -8.064 492 2HG PRO 60 HG3 PRO 60 -11.423 -0.001 -6.752 493 1HD PRO 60 HD2 PRO 60 -10.661 -1.601 -9.030 494 2HD PRO 60 HD3 PRO 60 -9.626 -0.859 -7.793 495 H THR 61 H THR 61 -11.749 -5.687 -7.460 496 HA THR 61 HA THR 61 -13.122 -5.311 -9.966 497 HB THR 61 HB THR 61 -12.949 -7.919 -9.873 498 HG1 THR 61 HG1 THR 61 -12.228 -8.402 -7.906 499 1HG2 THR 61 2HG2 THR 61 -11.677 -6.444 -11.385 500 2HG2 THR 61 1HG2 THR 61 -10.478 -6.207 -10.113 501 3HG2 THR 61 3HG2 THR 61 -10.712 -7.807 -10.819 502 HA PRO 62 HA PRO 62 -17.234 -6.116 -8.574 503 1HB PRO 62 HB2 PRO 62 -17.639 -7.740 -11.007 504 2HB PRO 62 HB3 PRO 62 -18.460 -6.263 -10.493 505 1HG PRO 62 HG2 PRO 62 -16.713 -6.250 -12.522 506 2HG PRO 62 HG3 PRO 62 -16.832 -4.887 -11.392 507 1HD PRO 62 HD2 PRO 62 -14.805 -7.088 -11.498 508 2HD PRO 62 HD3 PRO 62 -14.572 -5.356 -11.188 509 H SER 63 H SER 63 -18.860 -8.018 -8.444 510 HA SER 63 HA SER 63 -17.379 -10.365 -7.505 511 1HB SER 63 HB2 SER 63 -19.384 -10.829 -6.120 512 2HB SER 63 HB3 SER 63 -18.672 -9.259 -5.764 513 HG SER 63 HG SER 63 -20.921 -9.089 -5.971 514 H SER 64 H SER 64 -19.687 -9.281 -9.762 515 HA SER 64 HA SER 64 -20.913 -10.295 -11.394 516 1HB SER 64 HB2 SER 64 -18.685 -11.086 -12.087 517 2HB SER 64 HB3 SER 64 -18.860 -12.494 -11.039 518 HG SER 64 HG SER 64 -20.166 -13.391 -12.444 519 H THR 65 H THR 65 -21.179 -11.088 -8.375 520 HA THR 65 HA THR 65 -23.009 -13.350 -8.838 521 HB THR 65 HB THR 65 -22.591 -13.939 -6.431 522 HG1 THR 65 HG1 THR 65 -21.691 -12.114 -5.583 523 1HG2 THR 65 1HG2 THR 65 -20.188 -13.994 -8.258 524 2HG2 THR 65 3HG2 THR 65 -20.428 -15.022 -6.845 525 3HG2 THR 65 2HG2 THR 65 -21.500 -15.173 -8.237 526 HA PRO 66 HA PRO 66 -26.288 -10.946 -7.093 527 1HB PRO 66 HB2 PRO 66 -27.629 -12.696 -5.523 528 2HB PRO 66 HB3 PRO 66 -27.645 -12.807 -7.289 529 1HG PRO 66 HG2 PRO 66 -25.915 -14.278 -5.320 530 2HG PRO 66 HG3 PRO 66 -26.854 -14.938 -6.675 531 1HD PRO 66 HD2 PRO 66 -24.226 -14.485 -6.898 532 2HD PRO 66 HD3 PRO 66 -25.325 -14.166 -8.256 533 H MET 67 H MET 67 -23.700 -11.615 -5.432 534 HA MET 67 HA MET 67 -24.686 -10.481 -2.905 535 1HB MET 67 HB2 MET 67 -23.812 -12.777 -2.647 536 2HB MET 67 HB3 MET 67 -22.273 -12.260 -3.321 537 1HG MET 67 HG2 MET 67 -21.977 -10.718 -1.442 538 2HG MET 67 HG3 MET 67 -23.505 -11.271 -0.760 539 1HE MET 67 HE1 MET 67 -23.921 -13.751 0.119 540 2HE MET 67 HE3 MET 67 -23.400 -14.390 -1.440 541 3HE MET 67 HE2 MET 67 -22.704 -15.026 0.051 542 H VAL 68 H VAL 68 -24.436 -8.380 -3.710 543 HA VAL 68 HA VAL 68 -22.448 -7.136 -5.012 544 HB VAL 68 HB VAL 68 -23.712 -6.026 -2.503 545 1HG1 VAL 68 1HG1 VAL 68 -22.455 -4.644 -4.871 546 2HG1 VAL 68 3HG1 VAL 68 -23.301 -3.840 -3.548 547 3HG1 VAL 68 2HG1 VAL 68 -21.802 -4.715 -3.234 548 1HG2 VAL 68 3HG2 VAL 68 -24.645 -5.913 -5.370 549 2HG2 VAL 68 2HG2 VAL 68 -25.401 -6.823 -4.061 550 3HG2 VAL 68 1HG2 VAL 68 -25.386 -5.060 -4.016 551 H GLY 69 H GLY 69 -20.343 -6.833 -4.819 552 1HA GLY 69 HA3 GLY 69 -18.828 -7.941 -2.715 553 2HA GLY 69 HA2 GLY 69 -18.963 -6.206 -2.468 554 H VAL 70 H VAL 70 -17.698 -4.851 -3.636 555 HA VAL 70 HA VAL 70 -16.432 -5.692 -6.082 556 HB VAL 70 HB VAL 70 -15.716 -3.196 -4.563 557 1HG1 VAL 70 3HG1 VAL 70 -15.796 -3.927 -7.490 558 2HG1 VAL 70 2HG1 VAL 70 -15.457 -2.309 -6.877 559 3HG1 VAL 70 1HG1 VAL 70 -14.364 -3.639 -6.502 560 1HG2 VAL 70 3HG2 VAL 70 -18.126 -3.597 -6.336 561 2HG2 VAL 70 2HG2 VAL 70 -18.146 -3.279 -4.601 562 3HG2 VAL 70 1HG2 VAL 70 -17.556 -2.046 -5.717 563 H GLY 71 H GLY 71 -15.780 -7.161 -3.606 564 1HA GLY 71 HA3 GLY 71 -13.931 -8.139 -2.658 565 2HA GLY 71 HA2 GLY 71 -13.276 -6.511 -2.567 566 H GLY 72 H GLY 72 -11.465 -6.144 -3.657 567 1HA GLY 72 HA3 GLY 72 -10.451 -6.247 -5.936 568 2HA GLY 72 HA2 GLY 72 -10.817 -7.963 -5.894 569 H ILE 73 H ILE 73 -8.348 -5.968 -5.787 570 HA ILE 73 HA ILE 73 -6.871 -7.481 -3.748 571 HB ILE 73 HB ILE 73 -6.199 -7.049 -6.604 572 1HG1 ILE 73 2HG1 ILE 73 -7.031 -9.199 -5.475 573 2HG1 ILE 73 3HG1 ILE 73 -5.665 -9.317 -6.583 574 1HG2 ILE 73 1HG2 ILE 73 -4.361 -5.902 -5.519 575 2HG2 ILE 73 3HG2 ILE 73 -4.087 -7.300 -4.476 576 3HG2 ILE 73 2HG2 ILE 73 -3.814 -7.427 -6.212 577 1HD1 ILE 73 3HD1 ILE 73 -5.420 -9.149 -3.584 578 2HD1 ILE 73 2HD1 ILE 73 -5.369 -10.645 -4.520 579 3HD1 ILE 73 1HD1 ILE 73 -4.114 -9.423 -4.740 580 H TYR 74 H TYR 74 -5.070 -6.513 -2.920 581 HA TYR 74 HA TYR 74 -4.826 -3.605 -3.229 582 1HB TYR 74 HB2 TYR 74 -4.432 -4.854 -0.529 583 2HB TYR 74 HB3 TYR 74 -4.886 -3.205 -0.938 584 HD1 TYR 74 HD1 TYR 74 -6.090 -5.828 0.763 585 HD2 TYR 74 HD2 TYR 74 -7.225 -3.383 -2.523 586 HE1 TYR 74 HE1 TYR 74 -8.445 -6.344 1.195 587 HE2 TYR 74 HE2 TYR 74 -9.580 -3.898 -2.095 588 HH TYR 74 HH TYR 74 -10.920 -5.650 -1.013 589 H VAL 75 H VAL 75 -3.115 -4.306 -4.653 590 HA VAL 75 HA VAL 75 -0.909 -5.781 -3.528 591 HB VAL 75 HB VAL 75 -1.362 -6.365 -5.762 592 1HG1 VAL 75 2HG1 VAL 75 -1.308 -3.421 -6.380 593 2HG1 VAL 75 1HG1 VAL 75 -1.335 -4.691 -7.603 594 3HG1 VAL 75 3HG1 VAL 75 -2.688 -4.516 -6.484 595 1HG2 VAL 75 2HG2 VAL 75 1.035 -6.070 -5.168 596 2HG2 VAL 75 1HG2 VAL 75 0.702 -5.923 -6.893 597 3HG2 VAL 75 3HG2 VAL 75 0.980 -4.478 -5.921 598 H VAL 76 H VAL 76 0.429 -4.794 -2.263 599 HA VAL 76 HA VAL 76 1.190 -2.014 -2.826 600 HB VAL 76 HB VAL 76 1.507 -3.612 -0.282 601 1HG1 VAL 76 1HG1 VAL 76 2.129 -0.728 -0.895 602 2HG1 VAL 76 3HG1 VAL 76 2.146 -1.447 0.715 603 3HG1 VAL 76 2HG1 VAL 76 3.289 -1.999 -0.510 604 1HG2 VAL 76 2HG2 VAL 76 -0.824 -3.025 -0.803 605 2HG2 VAL 76 1HG2 VAL 76 -0.227 -2.177 0.623 606 3HG2 VAL 76 3HG2 VAL 76 -0.357 -1.329 -0.916 607 H LEU 77 H LEU 77 3.116 -1.664 -3.710 608 HA LEU 77 HA LEU 77 5.190 -3.732 -3.471 609 1HB LEU 77 HB2 LEU 77 4.827 -1.492 -5.454 610 2HB LEU 77 HB3 LEU 77 6.262 -2.499 -5.388 611 HG LEU 77 HG LEU 77 3.446 -3.440 -5.987 612 1HD1 LEU 77 1HD1 LEU 77 4.427 -2.159 -7.811 613 2HD1 LEU 77 3HD1 LEU 77 5.868 -3.174 -7.762 614 3HD1 LEU 77 2HD1 LEU 77 4.315 -3.868 -8.231 615 1HD2 LEU 77 3HD2 LEU 77 5.114 -5.000 -4.746 616 2HD2 LEU 77 2HD2 LEU 77 4.228 -5.606 -6.147 617 3HD2 LEU 77 1HD2 LEU 77 5.908 -5.098 -6.317 618 H VAL 78 H VAL 78 6.363 -3.288 -1.694 619 HA VAL 78 HA VAL 78 7.022 -0.499 -1.116 620 HB VAL 78 HB VAL 78 8.146 -2.317 0.791 621 1HG1 VAL 78 1HG1 VAL 78 5.906 -0.289 0.952 622 2HG1 VAL 78 3HG1 VAL 78 6.707 -1.033 2.338 623 3HG1 VAL 78 2HG1 VAL 78 7.622 0.011 1.252 624 1HG2 VAL 78 2HG2 VAL 78 6.435 -3.886 0.015 625 2HG2 VAL 78 1HG2 VAL 78 6.118 -3.338 1.661 626 3HG2 VAL 78 3HG2 VAL 78 5.193 -2.672 0.316 627 H LYS 79 H LYS 79 8.739 0.239 -2.145 628 HA LYS 79 HA LYS 79 11.109 -1.494 -2.387 629 1HB LYS 79 HB2 LYS 79 9.953 0.606 -4.174 630 2HB LYS 79 HB3 LYS 79 11.684 0.309 -4.209 631 1HG LYS 79 HG2 LYS 79 11.251 -2.053 -4.722 632 2HG LYS 79 HG3 LYS 79 9.511 -1.713 -4.750 633 1HD LYS 79 HD2 LYS 79 11.559 -0.390 -6.534 634 2HD LYS 79 HD3 LYS 79 10.549 -1.758 -7.006 635 1HE LYS 79 HE2 LYS 79 8.543 -0.404 -6.602 636 2HE LYS 79 HE3 LYS 79 9.563 0.964 -6.157 637 1HZ LYS 79 HZ3 LYS 79 10.492 0.946 -8.391 638 2HZ LYS 79 HZ2 LYS 79 9.503 -0.358 -8.816 639 3HZ LYS 79 HZ1 LYS 79 8.812 1.138 -8.440 640 HA PRO 80 HA PRO 80 12.433 1.490 0.848 641 1HB PRO 80 HB2 PRO 80 14.912 0.123 0.943 642 2HB PRO 80 HB3 PRO 80 13.573 -0.005 2.083 643 1HG PRO 80 HG2 PRO 80 14.321 -1.784 -0.161 644 2HG PRO 80 HG3 PRO 80 13.474 -2.167 1.347 645 1HD PRO 80 HD2 PRO 80 12.202 -2.056 -1.026 646 2HD PRO 80 HD3 PRO 80 11.417 -1.570 0.492 647 H ARG 81 H ARG 81 12.739 3.324 -0.289 648 HA ARG 81 HA ARG 81 14.555 3.627 -2.442 649 1HB ARG 81 HB2 ARG 81 12.615 5.222 -1.052 650 2HB ARG 81 HB3 ARG 81 14.093 6.150 -1.258 651 1HG ARG 81 HG2 ARG 81 14.012 5.842 -3.635 652 2HG ARG 81 HG3 ARG 81 12.645 4.735 -3.483 653 1HD ARG 81 HD2 ARG 81 11.251 6.517 -2.622 654 2HD ARG 81 HD3 ARG 81 12.618 7.636 -2.658 655 HE ARG 81 HE ARG 81 12.006 6.465 -5.214 656 1HH1 ARG 81 1HH1 ARG 81 11.298 9.067 -3.006 657 2HH1 ARG 81 2HH1 ARG 81 10.711 10.128 -4.243 658 1HH2 ARG 81 1HH2 ARG 81 11.235 7.855 -6.847 659 2HH2 ARG 81 2HH2 ARG 81 10.675 9.439 -6.426 660 H LYS 82 H LYS 82 14.777 4.197 1.024 661 HA LYS 82 HA LYS 82 17.612 4.917 0.667 662 1HB LYS 82 HB2 LYS 82 15.836 5.686 2.986 663 2HB LYS 82 HB3 LYS 82 17.477 6.238 2.683 664 1HG LYS 82 HG2 LYS 82 16.690 7.361 0.634 665 2HG LYS 82 HG3 LYS 82 15.043 6.863 1.026 666 1HD LYS 82 HD2 LYS 82 15.166 8.114 3.127 667 2HD LYS 82 HD3 LYS 82 16.809 8.620 2.726 668 1HE LYS 82 HE2 LYS 82 15.953 9.742 0.713 669 2HE LYS 82 HE3 LYS 82 14.313 9.270 1.161 670 1HZ LYS 82 HZ1 LYS 82 16.104 11.019 2.761 671 2HZ LYS 82 HZ3 LYS 82 14.794 11.540 1.825 672 3HZ LYS 82 HZ2 LYS 82 14.530 10.570 3.185 673 H ARG 83 H ARG 83 18.928 4.430 2.700 674 HA ARG 83 HA ARG 83 18.269 1.704 3.581 675 1HB ARG 83 HB2 ARG 83 20.953 3.093 3.549 676 2HB ARG 83 HB3 ARG 83 20.662 1.409 3.956 677 1HG ARG 83 HG2 ARG 83 19.965 0.935 1.701 678 2HG ARG 83 HG3 ARG 83 20.107 2.641 1.269 679 1HD ARG 83 HD2 ARG 83 22.060 1.509 0.481 680 2HD ARG 83 HD3 ARG 83 22.517 2.519 1.852 681 HE ARG 83 HE ARG 83 21.912 -0.089 2.738 682 1HH1 ARG 83 1HH1 ARG 83 24.350 1.702 1.009 683 2HH1 ARG 83 2HH1 ARG 83 25.637 0.636 1.462 684 1HH2 ARG 83 1HH2 ARG 83 23.602 -1.497 3.339 685 2HH2 ARG 83 2HH2 ARG 83 25.213 -1.182 2.787 686 H GLY 84 H GLY 84 17.716 1.401 5.639 687 1HA GLY 84 HA3 GLY 84 17.920 3.603 7.515 688 2HA GLY 84 HA2 GLY 84 18.891 2.197 7.923 689 H HIS 85 H HIS 85 16.196 3.633 8.794 690 HA HIS 85 HA HIS 85 14.839 1.092 9.380 691 1HB HIS 85 HB2 HIS 85 14.671 3.739 10.836 692 2HB HIS 85 HB3 HIS 85 13.833 2.260 11.298 693 HD1 HIS 85 HD1 HIS 85 17.030 4.029 11.651 694 HD2 HIS 85 HD2 HIS 85 15.591 0.174 12.238 695 HE1 HIS 85 HE1 HIS 85 18.759 2.874 13.066 696 HE2 HIS 85 HE2 HIS 85 17.906 0.519 13.340 697 H HIS 86 H HIS 86 13.496 0.864 7.647 698 HA HIS 86 HA HIS 86 11.579 3.038 7.133 699 1HB HIS 86 HB2 HIS 86 12.414 0.731 5.361 700 2HB HIS 86 HB3 HIS 86 11.181 1.918 4.952 701 HD1 HIS 86 HD1 HIS 86 14.006 3.454 6.660 702 HD2 HIS 86 HD2 HIS 86 13.013 2.465 2.750 703 HE1 HIS 86 HE1 HIS 86 15.574 4.783 5.213 704 HE2 HIS 86 HE2 HIS 86 14.889 4.242 2.850 705 H THR 87 H THR 87 9.347 2.342 6.586 706 HA THR 87 HA THR 87 8.513 -0.275 7.470 707 HB THR 87 HB THR 87 7.611 2.141 9.048 708 HG1 THR 87 HG1 THR 87 8.754 1.049 10.761 709 1HG2 THR 87 1HG2 THR 87 5.887 0.406 8.752 710 2HG2 THR 87 3HG2 THR 87 7.000 -0.792 9.414 711 3HG2 THR 87 2HG2 THR 87 6.424 0.532 10.428 712 H LEU 88 H LEU 88 6.375 -0.781 6.924 713 HA LEU 88 HA LEU 88 5.048 1.189 5.180 714 1HB LEU 88 HB2 LEU 88 5.852 -0.659 3.876 715 2HB LEU 88 HB3 LEU 88 5.166 -1.816 4.998 716 HG LEU 88 HG LEU 88 2.886 -0.856 4.350 717 1HD1 LEU 88 1HD1 LEU 88 3.704 1.194 3.313 718 2HD1 LEU 88 3HD1 LEU 88 4.527 0.244 2.076 719 3HD1 LEU 88 2HD1 LEU 88 2.766 0.228 2.174 720 1HD2 LEU 88 1HD2 LEU 88 3.679 -3.043 3.622 721 2HD2 LEU 88 3HD2 LEU 88 2.759 -2.243 2.348 722 3HD2 LEU 88 2HD2 LEU 88 4.518 -2.292 2.268 723 H GLU 89 H GLU 89 3.753 2.052 6.801 724 HA GLU 89 HA GLU 89 2.167 0.418 8.514 725 1HB GLU 89 HB2 GLU 89 2.143 3.365 7.895 726 2HB GLU 89 HB3 GLU 89 1.063 2.614 9.062 727 1HG GLU 89 HG2 GLU 89 2.913 1.889 10.382 728 2HG GLU 89 HG3 GLU 89 4.059 2.501 9.195 729 H LEU 90 H LEU 90 0.841 -0.918 7.297 730 HA LEU 90 HA LEU 90 -1.109 0.422 5.556 731 1HB LEU 90 HB2 LEU 90 -0.381 -2.493 5.820 732 2HB LEU 90 HB3 LEU 90 -1.729 -1.919 4.864 733 HG LEU 90 HG LEU 90 1.180 -1.263 4.391 734 1HD1 LEU 90 3HD1 LEU 90 -0.767 -3.039 2.932 735 2HD1 LEU 90 2HD1 LEU 90 0.806 -2.554 2.299 736 3HD1 LEU 90 1HD1 LEU 90 0.708 -3.527 3.765 737 1HD2 LEU 90 3HD2 LEU 90 -1.290 -0.451 2.862 738 2HD2 LEU 90 2HD2 LEU 90 -0.224 0.615 3.777 739 3HD2 LEU 90 1HD2 LEU 90 0.373 -0.195 2.328 740 H VAL 91 H VAL 91 -3.111 0.747 6.236 741 HA VAL 91 HA VAL 91 -4.109 -0.848 8.501 742 HB VAL 91 HB VAL 91 -3.357 1.337 9.319 743 1HG1 VAL 91 1HG1 VAL 91 -5.289 2.434 7.279 744 2HG1 VAL 91 3HG1 VAL 91 -4.576 3.385 8.584 745 3HG1 VAL 91 2HG1 VAL 91 -3.540 2.676 7.345 746 1HG2 VAL 91 3HG2 VAL 91 -6.357 1.027 9.286 747 2HG2 VAL 91 2HG2 VAL 91 -5.234 0.318 10.448 748 3HG2 VAL 91 1HG2 VAL 91 -5.457 2.066 10.390 749 H TYR 92 H TYR 92 -6.421 -0.918 8.700 750 HA TYR 92 HA TYR 92 -7.803 -0.740 6.125 751 1HB TYR 92 HB2 TYR 92 -7.760 -2.816 7.745 752 2HB TYR 92 HB3 TYR 92 -9.003 -1.922 8.610 753 HD1 TYR 92 HD1 TYR 92 -10.867 -3.307 8.270 754 HD2 TYR 92 HD2 TYR 92 -8.548 -2.065 4.925 755 HE1 TYR 92 HE1 TYR 92 -12.571 -4.226 6.754 756 HE2 TYR 92 HE2 TYR 92 -10.248 -2.977 3.401 757 HH TYR 92 HH TYR 92 -12.035 -4.668 3.436 758 H THR 93 H THR 93 -8.114 1.517 6.086 759 HA THR 93 HA THR 93 -9.798 2.644 8.232 760 HB THR 93 HB THR 93 -7.705 3.809 8.033 761 HG1 THR 93 HG1 THR 93 -9.571 5.456 6.673 762 1HG2 THR 93 1HG2 THR 93 -8.412 4.139 5.114 763 2HG2 THR 93 3HG2 THR 93 -7.047 4.910 5.925 764 3HG2 THR 93 2HG2 THR 93 -7.103 3.154 5.769 765 H ARG 94 H ARG 94 -11.258 4.434 7.537 766 HA ARG 94 HA ARG 94 -12.641 3.683 5.058 767 1HB ARG 94 HB2 ARG 94 -13.617 5.315 7.410 768 2HB ARG 94 HB3 ARG 94 -14.574 4.894 5.998 769 1HG ARG 94 HG2 ARG 94 -14.269 2.498 6.580 770 2HG ARG 94 HG3 ARG 94 -13.471 3.014 8.067 771 1HD ARG 94 HD2 ARG 94 -15.816 2.496 8.471 772 2HD ARG 94 HD3 ARG 94 -15.488 4.205 8.747 773 HE ARG 94 HE ARG 94 -16.332 4.038 6.140 774 1HH1 ARG 94 1HH1 ARG 94 -17.641 3.191 9.257 775 2HH1 ARG 94 2HH1 ARG 94 -19.285 3.447 8.780 776 1HH2 ARG 94 1HH2 ARG 94 -18.495 4.377 5.503 777 2HH2 ARG 94 2HH2 ARG 94 -19.771 4.121 6.646 778 HA PRO 95 HA PRO 95 -10.504 7.448 3.525 779 1HB PRO 95 HB2 PRO 95 -12.071 6.524 1.156 780 2HB PRO 95 HB3 PRO 95 -10.398 7.082 1.249 781 1HG PRO 95 HG2 PRO 95 -10.933 4.489 1.019 782 2HG PRO 95 HG3 PRO 95 -9.633 5.051 2.087 783 1HD PRO 95 HD2 PRO 95 -12.361 4.065 2.783 784 2HD PRO 95 HD3 PRO 95 -10.827 3.851 3.644 785 H PHE 96 H PHE 96 -13.897 6.522 3.217 786 HA PHE 96 HA PHE 96 -14.755 9.198 2.608 787 1HB PHE 96 HB2 PHE 96 -16.246 6.640 3.199 788 2HB PHE 96 HB3 PHE 96 -17.012 8.150 2.749 789 HD1 PHE 96 HD1 PHE 96 -14.814 5.451 1.583 790 HD2 PHE 96 HD2 PHE 96 -17.065 8.894 0.490 791 HE1 PHE 96 HE1 PHE 96 -14.533 4.876 -0.793 792 HE2 PHE 96 HE2 PHE 96 -16.789 8.325 -1.888 793 HZ PHE 96 HZ PHE 96 -15.522 6.313 -2.531 794 H GLU 97 H GLU 97 -13.529 8.108 5.314 795 HA GLU 97 HA GLU 97 -15.179 9.821 6.988 796 1HB GLU 97 HB2 GLU 97 -14.705 6.896 7.563 797 2HB GLU 97 HB3 GLU 97 -15.179 8.044 8.806 798 1HG GLU 97 HG2 GLU 97 -16.770 7.531 6.306 799 2HG GLU 97 HG3 GLU 97 -17.043 6.704 7.840 800 H GLY 98 H GLY 98 -12.802 7.343 7.861 801 1HA GLY 98 HA3 GLY 98 -11.309 9.155 9.477 802 2HA GLY 98 HA2 GLY 98 -10.483 8.848 7.955 803 H ILE 99 H ILE 99 -8.985 8.112 9.837 804 HA ILE 99 HA ILE 99 -9.166 5.200 9.859 805 HB ILE 99 HB ILE 99 -6.830 6.776 10.873 806 1HG1 ILE 99 2HG1 ILE 99 -7.080 5.933 7.999 807 2HG1 ILE 99 3HG1 ILE 99 -7.668 7.510 8.524 808 1HG2 ILE 99 2HG2 ILE 99 -7.334 4.011 9.847 809 2HG2 ILE 99 1HG2 ILE 99 -5.712 4.706 9.757 810 3HG2 ILE 99 3HG2 ILE 99 -6.511 4.529 11.319 811 1HD1 ILE 99 2HD1 ILE 99 -5.430 8.061 9.328 812 2HD1 ILE 99 1HD1 ILE 99 -4.849 6.486 8.785 813 3HD1 ILE 99 3HD1 ILE 99 -5.431 7.665 7.608 814 H LYS 100 H LYS 100 -8.713 3.987 11.779 815 HA LYS 100 HA LYS 100 -9.017 5.390 14.323 816 1HB LYS 100 HB2 LYS 100 -10.801 3.097 13.501 817 2HB LYS 100 HB3 LYS 100 -10.836 3.939 15.034 818 1HG LYS 100 HG2 LYS 100 -11.634 5.937 14.013 819 2HG LYS 100 HG3 LYS 100 -11.364 5.283 12.396 820 1HD LYS 100 HD2 LYS 100 -13.058 3.517 13.898 821 2HD LYS 100 HD3 LYS 100 -13.713 5.155 13.935 822 1HE LYS 100 HE2 LYS 100 -13.617 5.267 11.503 823 2HE LYS 100 HE3 LYS 100 -12.911 3.652 11.446 824 1HZ LYS 100 HZ1 LYS 100 -14.942 2.778 12.439 825 2HZ LYS 100 HZ3 LYS 100 -15.618 4.330 12.462 826 3HZ LYS 100 HZ2 LYS 100 -15.271 3.580 10.987 827 HA PRO 101 HA PRO 101 -6.231 2.336 15.842 828 1HB PRO 101 HB2 PRO 101 -7.064 1.974 18.390 829 2HB PRO 101 HB3 PRO 101 -6.284 3.465 17.849 830 1HG PRO 101 HG2 PRO 101 -9.195 2.882 18.241 831 2HG PRO 101 HG3 PRO 101 -8.274 4.329 18.691 832 1HD PRO 101 HD2 PRO 101 -9.827 4.195 16.466 833 2HD PRO 101 HD3 PRO 101 -8.368 5.201 16.569 834 H GLU 102 H GLU 102 -9.631 1.645 16.583 835 HA GLU 102 HA GLU 102 -9.326 -1.097 17.093 836 1HB GLU 102 HB2 GLU 102 -11.776 -1.222 16.617 837 2HB GLU 102 HB3 GLU 102 -11.325 0.001 17.799 838 1HG GLU 102 HG2 GLU 102 -11.446 1.709 16.072 839 2HG GLU 102 HG3 GLU 102 -11.911 0.484 14.897 840 H ASN 103 H ASN 103 -9.519 0.715 14.148 841 HA ASN 103 HA ASN 103 -10.347 -1.231 12.344 842 1HB ASN 103 HB2 ASN 103 -8.310 0.958 11.909 843 2HB ASN 103 HB3 ASN 103 -9.140 0.068 10.638 844 1HD2 ASN 103 1HD2 ASN 103 -11.594 0.051 12.412 845 2HD2 ASN 103 2HD2 ASN 103 -12.285 1.616 12.182 846 H GLU 104 H GLU 104 -9.154 -2.570 10.867 847 HA GLU 104 HA GLU 104 -7.299 -4.241 12.063 848 1HB GLU 104 HB2 GLU 104 -8.715 -4.210 9.689 849 2HB GLU 104 HB3 GLU 104 -7.040 -4.134 9.161 850 1HG GLU 104 HG2 GLU 104 -7.283 -6.383 9.267 851 2HG GLU 104 HG3 GLU 104 -6.777 -6.071 10.925 852 H ARG 105 H ARG 105 -5.081 -4.685 11.346 853 HA ARG 105 HA ARG 105 -3.603 -2.250 10.598 854 1HB ARG 105 HB2 ARG 105 -3.535 -2.626 13.069 855 2HB ARG 105 HB3 ARG 105 -2.791 -4.186 12.775 856 1HG ARG 105 HG2 ARG 105 -0.938 -2.927 13.231 857 2HG ARG 105 HG3 ARG 105 -1.027 -2.752 11.476 858 1HD ARG 105 HD2 ARG 105 -0.652 -0.594 12.505 859 2HD ARG 105 HD3 ARG 105 -2.244 -0.647 11.745 860 HE ARG 105 HE ARG 105 -2.576 -1.397 14.394 861 1HH1 ARG 105 1HH1 ARG 105 -1.559 1.416 12.606 862 2HH1 ARG 105 2HH1 ARG 105 -2.113 2.538 13.803 863 1HH2 ARG 105 1HH2 ARG 105 -3.310 0.074 15.977 864 2HH2 ARG 105 2HH2 ARG 105 -3.108 1.776 15.719 865 H TYR 106 H TYR 106 -1.392 -2.710 9.861 866 HA TYR 106 HA TYR 106 -0.389 -5.265 9.337 867 1HB TYR 106 HB2 TYR 106 -2.332 -5.305 7.758 868 2HB TYR 106 HB3 TYR 106 -1.590 -3.963 6.884 869 HD1 TYR 106 HD1 TYR 106 0.329 -4.327 5.460 870 HD2 TYR 106 HD2 TYR 106 -1.332 -7.535 7.706 871 HE1 TYR 106 HE1 TYR 106 1.630 -5.926 4.125 872 HE2 TYR 106 HE2 TYR 106 -0.033 -9.145 6.377 873 HH TYR 106 HH TYR 106 1.045 -9.270 4.175 874 H THR 107 H THR 107 1.032 -3.612 10.427 875 HA THR 107 HA THR 107 2.327 -1.717 8.656 876 HB THR 107 HB THR 107 3.100 -2.392 11.494 877 HG1 THR 107 HG1 THR 107 1.634 -0.118 11.179 878 1HG2 THR 107 3HG2 THR 107 3.496 0.072 9.800 879 2HG2 THR 107 2HG2 THR 107 3.973 -0.096 11.489 880 3HG2 THR 107 1HG2 THR 107 4.739 -1.092 10.252 881 H LEU 108 H LEU 108 3.449 -2.912 7.142 882 HA LEU 108 HA LEU 108 5.140 -5.102 7.865 883 1HB LEU 108 HB2 LEU 108 4.150 -5.072 5.678 884 2HB LEU 108 HB3 LEU 108 4.858 -3.515 5.319 885 HG LEU 108 HG LEU 108 7.079 -4.484 5.238 886 1HD1 LEU 108 1HD1 LEU 108 5.733 -7.089 5.941 887 2HD1 LEU 108 3HD1 LEU 108 7.424 -6.896 5.478 888 3HD1 LEU 108 2HD1 LEU 108 6.830 -6.170 6.972 889 1HD2 LEU 108 2HD2 LEU 108 5.743 -4.537 3.202 890 2HD2 LEU 108 1HD2 LEU 108 6.822 -5.928 3.296 891 3HD2 LEU 108 3HD2 LEU 108 5.106 -6.118 3.654 892 H HIS 109 H HIS 109 6.660 -4.433 9.337 893 HA HIS 109 HA HIS 109 8.283 -2.109 8.884 894 1HB HIS 109 HB2 HIS 109 8.195 -4.254 10.943 895 2HB HIS 109 HB3 HIS 109 9.627 -3.242 10.817 896 HD1 HIS 109 HD1 HIS 109 9.515 -0.988 11.901 897 HD2 HIS 109 HD2 HIS 109 5.781 -2.775 11.549 898 HE1 HIS 109 HE1 HIS 109 7.939 0.492 13.184 899 HE2 HIS 109 HE2 HIS 109 5.671 -0.562 12.885 900 H LEU 110 H LEU 110 10.317 -1.984 8.150 901 HA LEU 110 HA LEU 110 11.715 -4.396 7.305 902 1HB LEU 110 HB2 LEU 110 11.013 -2.107 5.471 903 2HB LEU 110 HB3 LEU 110 12.161 -3.370 5.075 904 HG LEU 110 HG LEU 110 9.218 -3.802 5.618 905 1HD1 LEU 110 2HD1 LEU 110 10.770 -3.759 3.034 906 2HD1 LEU 110 1HD1 LEU 110 9.090 -4.269 3.204 907 3HD1 LEU 110 3HD1 LEU 110 9.544 -2.599 3.546 908 1HD2 LEU 110 2HD2 LEU 110 10.679 -5.710 6.212 909 2HD2 LEU 110 1HD2 LEU 110 9.584 -6.059 4.875 910 3HD2 LEU 110 3HD2 LEU 110 11.284 -5.721 4.556 911 H ASN 111 H ASN 111 13.419 -4.046 8.693 912 HA ASN 111 HA ASN 111 14.670 -1.475 8.939 913 1HB ASN 111 HB2 ASN 111 14.711 -3.041 10.819 914 2HB ASN 111 HB3 ASN 111 15.589 -4.216 9.845 915 1HD2 ASN 111 1HD2 ASN 111 17.316 -4.277 11.260 916 2HD2 ASN 111 2HD2 ASN 111 18.442 -2.975 11.405 917 H VAL 112 H VAL 112 15.000 -1.108 6.675 918 HA VAL 112 HA VAL 112 16.427 -2.662 4.904 919 HB VAL 112 HB VAL 112 16.800 0.314 4.910 920 1HG1 VAL 112 2HG1 VAL 112 17.856 -1.038 3.158 921 2HG1 VAL 112 1HG1 VAL 112 16.274 -1.679 2.715 922 3HG1 VAL 112 3HG1 VAL 112 16.621 0.038 2.504 923 1HG2 VAL 112 2HG2 VAL 112 14.252 -1.175 4.322 924 2HG2 VAL 112 1HG2 VAL 112 14.498 0.144 5.466 925 3HG2 VAL 112 3HG2 VAL 112 14.581 0.453 3.732 926 H LYS 113 H LYS 113 18.459 -3.353 4.826 927 HA LYS 113 HA LYS 113 20.385 -2.608 6.773 928 1HB LYS 113 HB2 LYS 113 20.629 -4.223 4.232 929 2HB LYS 113 HB3 LYS 113 21.925 -4.038 5.403 930 1HG LYS 113 HG2 LYS 113 19.228 -5.215 6.034 931 2HG LYS 113 HG3 LYS 113 20.660 -6.159 5.616 932 1HD LYS 113 HD2 LYS 113 21.838 -5.208 7.549 933 2HD LYS 113 HD3 LYS 113 20.390 -4.291 7.971 934 1HE LYS 113 HE2 LYS 113 19.153 -6.370 8.279 935 2HE LYS 113 HE3 LYS 113 20.585 -7.297 7.832 936 1HZ LYS 113 HZ1 LYS 113 21.728 -6.390 9.760 937 2HZ LYS 113 HZ3 LYS 113 20.350 -5.505 10.189 938 3HZ LYS 113 HZ2 LYS 113 20.315 -7.196 10.226 No H/Q in entry = 938 Start of MODEL 14 1 H1 GLY -2 HT2 GLY -2 -2.847 -6.388 33.830 2 H2 GLY -2 HT1 GLY -2 -3.113 -7.050 35.363 3 H3 GLY -2 HT3 GLY -2 -1.800 -6.013 35.105 4 1HA GLY -2 HA2 GLY -2 -2.154 -8.703 33.900 5 2HA GLY -2 HA3 GLY -2 -1.067 -8.313 35.224 6 H SER -1 H SER -1 -0.814 -9.235 32.277 7 HA SER -1 HA SER -1 0.886 -7.135 31.201 8 1HB SER -1 HB2 SER -1 2.416 -8.375 32.655 9 2HB SER -1 HB3 SER -1 1.958 -9.886 31.870 10 HG SER -1 HG SER -1 3.897 -9.052 31.012 11 H HIS 0 H HIS 0 -0.327 -10.447 30.858 12 HA HIS 0 HA HIS 0 -0.051 -10.346 27.972 13 1HB HIS 0 HB2 HIS 0 0.414 -12.443 29.171 14 2HB HIS 0 HB3 HIS 0 -1.245 -12.479 29.756 15 HD1 HIS 0 HD1 HIS 0 -2.982 -13.489 28.241 16 HD2 HIS 0 HD2 HIS 0 0.664 -12.897 26.337 17 HE1 HIS 0 HE1 HIS 0 -3.189 -14.645 26.018 18 HE2 HIS 0 HE2 HIS 0 -1.003 -14.198 24.848 19 H MET 1 H MET 1 -1.538 -9.466 26.710 20 HA MET 1 HA MET 1 -4.314 -9.325 27.683 21 1HB MET 1 HB2 MET 1 -2.909 -7.573 25.657 22 2HB MET 1 HB3 MET 1 -4.586 -7.407 26.159 23 1HG MET 1 HG2 MET 1 -2.171 -7.075 27.924 24 2HG MET 1 HG3 MET 1 -3.162 -5.777 27.261 25 1HE MET 1 HE2 MET 1 -2.468 -6.074 30.365 26 2HE MET 1 HE1 MET 1 -3.455 -4.768 29.710 27 3HE MET 1 HE3 MET 1 -4.035 -5.706 31.087 28 H ILE 2 H ILE 2 -5.890 -9.090 25.714 29 HA ILE 2 HA ILE 2 -5.247 -11.263 23.829 30 HB ILE 2 HB ILE 2 -7.651 -11.707 23.676 31 1HG1 ILE 2 2HG1 ILE 2 -7.934 -9.648 25.878 32 2HG1 ILE 2 3HG1 ILE 2 -8.409 -9.399 24.200 33 1HG2 ILE 2 1HG2 ILE 2 -6.312 -12.937 25.297 34 2HG2 ILE 2 3HG2 ILE 2 -6.622 -11.695 26.511 35 3HG2 ILE 2 2HG2 ILE 2 -7.949 -12.682 25.900 36 1HD1 ILE 2 1HD1 ILE 2 -10.046 -11.200 24.403 37 2HD1 ILE 2 3HD1 ILE 2 -9.579 -11.427 26.089 38 3HD1 ILE 2 2HD1 ILE 2 -10.329 -9.916 25.577 39 H ALA 3 H ALA 3 -5.334 -8.050 23.924 40 HA ALA 3 HA ALA 3 -7.030 -7.188 21.895 41 1HB ALA 3 HB2 ALA 3 -4.313 -6.092 22.610 42 2HB ALA 3 HB1 ALA 3 -5.567 -5.247 21.702 43 3HB ALA 3 HB3 ALA 3 -5.836 -5.668 23.393 44 HA PRO 4 HA PRO 4 -5.309 -9.468 18.409 45 1HB PRO 4 HB2 PRO 4 -6.894 -7.399 16.963 46 2HB PRO 4 HB3 PRO 4 -6.867 -9.152 16.743 47 1HG PRO 4 HG2 PRO 4 -8.905 -7.978 17.983 48 2HG PRO 4 HG3 PRO 4 -8.266 -9.528 18.561 49 1HD PRO 4 HD2 PRO 4 -7.886 -6.784 19.677 50 2HD PRO 4 HD3 PRO 4 -8.065 -8.333 20.525 51 H LEU 5 H LEU 5 -3.203 -9.018 18.105 52 HA LEU 5 HA LEU 5 -2.514 -6.675 16.544 53 1HB LEU 5 HB2 LEU 5 -0.628 -6.092 18.084 54 2HB LEU 5 HB3 LEU 5 -2.228 -5.729 18.700 55 HG LEU 5 HG LEU 5 -2.023 -8.013 19.922 56 1HD1 LEU 5 1HD1 LEU 5 0.863 -7.412 19.298 57 2HD1 LEU 5 3HD1 LEU 5 0.316 -8.556 20.523 58 3HD1 LEU 5 2HD1 LEU 5 -0.049 -8.844 18.822 59 1HD2 LEU 5 3HD2 LEU 5 -2.087 -5.848 21.038 60 2HD2 LEU 5 2HD2 LEU 5 -0.922 -6.922 21.811 61 3HD2 LEU 5 1HD2 LEU 5 -0.362 -5.636 20.744 62 H SER 6 H SER 6 -2.225 -9.878 17.232 63 HA SER 6 HA SER 6 0.044 -10.149 15.429 64 1HB SER 6 HB2 SER 6 1.094 -10.160 17.641 65 2HB SER 6 HB3 SER 6 -0.004 -11.433 18.172 66 HG SER 6 HG SER 6 1.479 -11.914 15.867 67 H VAL 7 H VAL 7 -2.905 -11.200 16.711 68 HA VAL 7 HA VAL 7 -2.769 -13.906 15.737 69 HB VAL 7 HB VAL 7 -5.246 -12.389 16.553 70 1HG1 VAL 7 3HG1 VAL 7 -4.609 -15.335 16.446 71 2HG1 VAL 7 2HG1 VAL 7 -6.093 -14.642 17.100 72 3HG1 VAL 7 1HG1 VAL 7 -5.712 -14.455 15.389 73 1HG2 VAL 7 3HG2 VAL 7 -3.607 -12.243 18.344 74 2HG2 VAL 7 2HG2 VAL 7 -4.923 -13.328 18.794 75 3HG2 VAL 7 1HG2 VAL 7 -3.368 -13.990 18.288 76 H LYS 8 H LYS 8 -3.231 -10.926 14.342 77 HA LYS 8 HA LYS 8 -4.733 -12.061 12.078 78 1HB LYS 8 HB2 LYS 8 -4.374 -9.122 12.648 79 2HB LYS 8 HB3 LYS 8 -5.516 -9.883 11.555 80 1HG LYS 8 HG2 LYS 8 -5.567 -9.848 14.556 81 2HG LYS 8 HG3 LYS 8 -6.756 -9.184 13.433 82 1HD LYS 8 HD2 LYS 8 -6.119 -12.118 13.681 83 2HD LYS 8 HD3 LYS 8 -7.448 -11.321 14.526 84 1HE LYS 8 HE2 LYS 8 -7.082 -11.470 11.534 85 2HE LYS 8 HE3 LYS 8 -8.223 -12.422 12.486 86 1HZ LYS 8 HZ3 LYS 8 -8.239 -9.463 12.224 87 2HZ LYS 8 HZ2 LYS 8 -9.301 -10.527 11.451 88 3HZ LYS 8 HZ1 LYS 8 -9.334 -10.377 13.135 89 H ASP 9 H ASP 9 -1.757 -11.442 13.059 90 HA ASP 9 HA ASP 9 0.277 -11.048 12.118 91 1HB ASP 9 HB2 ASP 9 -0.114 -13.039 10.915 92 2HB ASP 9 HB3 ASP 9 -1.241 -12.254 9.815 93 H ASN 10 H ASN 10 0.495 -8.871 12.250 94 HA ASN 10 HA ASN 10 -0.057 -7.376 9.798 95 1HB ASN 10 HB2 ASN 10 -0.375 -5.395 11.473 96 2HB ASN 10 HB3 ASN 10 -1.709 -6.480 11.122 97 1HD2 ASN 10 1HD2 ASN 10 -1.193 -4.776 13.419 98 2HD2 ASN 10 2HD2 ASN 10 -1.200 -5.822 14.787 99 H ASP 11 H ASP 11 1.238 -5.996 12.696 100 HA ASP 11 HA ASP 11 3.396 -4.774 11.492 101 1HB ASP 11 HB2 ASP 11 3.103 -5.587 14.387 102 2HB ASP 11 HB3 ASP 11 4.242 -4.402 13.762 103 H LYS 12 H LYS 12 4.689 -6.035 10.271 104 HA LYS 12 HA LYS 12 6.015 -8.321 11.521 105 1HB LYS 12 HB2 LYS 12 5.131 -8.900 9.401 106 2HB LYS 12 HB3 LYS 12 5.726 -7.418 8.661 107 1HG LYS 12 HG2 LYS 12 7.991 -8.189 8.830 108 2HG LYS 12 HG3 LYS 12 7.474 -9.636 9.698 109 1HD LYS 12 HD2 LYS 12 6.307 -10.451 7.768 110 2HD LYS 12 HD3 LYS 12 6.594 -8.941 6.900 111 1HE LYS 12 HE2 LYS 12 8.145 -10.582 6.098 112 2HE LYS 12 HE3 LYS 12 9.031 -9.387 7.046 113 1HZ LYS 12 HZ1 LYS 12 9.005 -10.915 8.922 114 2HZ LYS 12 HZ3 LYS 12 8.173 -12.066 8.000 115 3HZ LYS 12 HZ2 LYS 12 9.750 -11.622 7.579 116 H TRP 13 H TRP 13 7.545 -7.414 12.805 117 HA TRP 13 HA TRP 13 9.265 -5.305 11.872 118 1HB TRP 13 HB2 TRP 13 9.633 -6.854 14.419 119 2HB TRP 13 HB3 TRP 13 10.004 -5.168 14.082 120 HD1 TRP 13 HD1 TRP 13 6.917 -7.441 14.588 121 HE1 TRP 13 HE1 TRP 13 4.985 -6.004 15.490 122 HE3 TRP 13 HE3 TRP 13 9.181 -2.854 14.463 123 HZ2 TRP 13 HZ2 TRP 13 4.469 -3.290 16.065 124 HZ3 TRP 13 HZ3 TRP 13 7.901 -0.892 15.218 125 HH2 TRP 13 HH2 TRP 13 5.601 -1.107 16.008 126 H VAL 14 H VAL 14 10.693 -5.909 10.331 127 HA VAL 14 HA VAL 14 12.681 -7.926 11.098 128 HB VAL 14 HB VAL 14 12.585 -9.068 8.932 129 1HG1 VAL 14 2HG1 VAL 14 11.374 -10.010 10.832 130 2HG1 VAL 14 1HG1 VAL 14 9.940 -9.089 10.380 131 3HG1 VAL 14 3HG1 VAL 14 10.548 -10.354 9.312 132 1HG2 VAL 14 3HG2 VAL 14 11.582 -7.155 7.689 133 2HG2 VAL 14 2HG2 VAL 14 10.818 -8.709 7.361 134 3HG2 VAL 14 1HG2 VAL 14 10.032 -7.548 8.432 135 H ASP 15 H ASP 15 14.112 -8.146 8.864 136 HA ASP 15 HA ASP 15 15.108 -5.420 8.424 137 1HB ASP 15 HB2 ASP 15 16.338 -8.088 8.698 138 2HB ASP 15 HB3 ASP 15 17.069 -7.046 7.479 139 H THR 16 H THR 16 16.493 -5.546 6.139 140 HA THR 16 HA THR 16 15.276 -6.987 4.031 141 HB THR 16 HB THR 16 13.490 -5.233 4.762 142 HG1 THR 16 HG1 THR 16 12.688 -5.483 2.765 143 1HG2 THR 16 1HG2 THR 16 15.025 -3.306 4.729 144 2HG2 THR 16 3HG2 THR 16 15.237 -3.529 2.993 145 3HG2 THR 16 2HG2 THR 16 13.656 -3.093 3.638 146 H HIS 17 H HIS 17 15.626 -5.595 1.853 147 HA HIS 17 HA HIS 17 18.399 -4.600 1.949 148 1HB HIS 17 HB2 HIS 17 16.974 -6.393 0.026 149 2HB HIS 17 HB3 HIS 17 18.267 -5.366 -0.580 150 HD1 HIS 17 HD1 HIS 17 17.635 -8.519 1.159 151 HD2 HIS 17 HD2 HIS 17 20.833 -5.910 0.680 152 HE1 HIS 17 HE1 HIS 17 19.673 -9.821 1.845 153 HE2 HIS 17 HE2 HIS 17 21.585 -8.194 1.630 154 H VAL 18 H VAL 18 18.473 -3.648 -0.720 155 HA VAL 18 HA VAL 18 16.777 -1.278 -0.402 156 HB VAL 18 HB VAL 18 19.125 -1.661 -2.261 157 1HG1 VAL 18 2HG1 VAL 18 17.577 0.805 -1.465 158 2HG1 VAL 18 1HG1 VAL 18 19.051 0.798 -2.435 159 3HG1 VAL 18 3HG1 VAL 18 17.584 0.035 -3.051 160 1HG2 VAL 18 2HG2 VAL 18 18.978 -0.293 0.424 161 2HG2 VAL 18 1HG2 VAL 18 19.840 -1.788 0.058 162 3HG2 VAL 18 3HG2 VAL 18 20.365 -0.267 -0.664 163 H GLY 19 H GLY 19 15.140 -0.835 -1.681 164 1HA GLY 19 HA3 GLY 19 14.948 -1.379 -4.424 165 2HA GLY 19 HA2 GLY 19 13.613 -0.952 -3.373 166 H LYS 20 H LYS 20 14.527 -3.518 -1.797 167 HA LYS 20 HA LYS 20 13.934 -5.699 -3.483 168 1HB LYS 20 HB2 LYS 20 14.824 -5.443 -0.915 169 2HB LYS 20 HB3 LYS 20 13.181 -5.990 -0.650 170 1HG LYS 20 HG2 LYS 20 14.372 -7.960 -0.721 171 2HG LYS 20 HG3 LYS 20 13.750 -7.823 -2.370 172 1HD LYS 20 HD2 LYS 20 15.820 -7.109 -3.207 173 2HD LYS 20 HD3 LYS 20 16.418 -6.728 -1.597 174 1HE LYS 20 HE2 LYS 20 16.452 -9.109 -1.039 175 2HE LYS 20 HE3 LYS 20 15.833 -9.495 -2.644 176 1HZ LYS 20 HZ1 LYS 20 18.433 -8.179 -2.072 177 2HZ LYS 20 HZ3 LYS 20 18.226 -9.798 -2.518 178 3HZ LYS 20 HZ2 LYS 20 17.840 -8.564 -3.608 179 H THR 21 H THR 21 12.138 -4.987 -4.681 180 HA THR 21 HA THR 21 9.742 -4.005 -3.827 181 HB THR 21 HB THR 21 9.878 -6.113 -5.972 182 HG1 THR 21 HG1 THR 21 10.300 -4.050 -7.271 183 1HG2 THR 21 1HG2 THR 21 7.663 -5.232 -5.388 184 2HG2 THR 21 3HG2 THR 21 8.241 -3.590 -5.675 185 3HG2 THR 21 2HG2 THR 21 8.143 -4.737 -7.011 186 H THR 22 H THR 22 8.760 -4.735 -2.040 187 HA THR 22 HA THR 22 8.279 -7.605 -1.739 188 HB THR 22 HB THR 22 7.783 -5.325 0.189 189 HG1 THR 22 HG1 THR 22 9.851 -5.633 0.524 190 1HG2 THR 22 2HG2 THR 22 7.514 -8.305 0.605 191 2HG2 THR 22 1HG2 THR 22 7.362 -7.072 1.859 192 3HG2 THR 22 3HG2 THR 22 6.187 -7.144 0.545 193 H GLU 23 H GLU 23 6.652 -8.162 -3.028 194 HA GLU 23 HA GLU 23 4.303 -6.556 -3.357 195 1HB GLU 23 HB2 GLU 23 5.282 -7.915 -5.175 196 2HB GLU 23 HB3 GLU 23 4.916 -9.370 -4.261 197 1HG GLU 23 HG2 GLU 23 2.583 -9.026 -4.478 198 2HG GLU 23 HG3 GLU 23 2.830 -7.399 -5.109 199 H ILE 24 H ILE 24 2.440 -6.720 -2.298 200 HA ILE 24 HA ILE 24 1.939 -9.113 -0.676 201 HB ILE 24 HB ILE 24 1.505 -6.296 0.286 202 1HG1 ILE 24 2HG1 ILE 24 3.585 -8.337 1.085 203 2HG1 ILE 24 3HG1 ILE 24 3.888 -6.841 0.211 204 1HG2 ILE 24 3HG2 ILE 24 -0.128 -7.917 1.127 205 2HG2 ILE 24 2HG2 ILE 24 1.190 -8.933 1.713 206 3HG2 ILE 24 1HG2 ILE 24 0.930 -7.334 2.413 207 1HD1 ILE 24 2HD1 ILE 24 3.152 -5.562 2.162 208 2HD1 ILE 24 1HD1 ILE 24 2.894 -7.069 3.039 209 3HD1 ILE 24 3HD1 ILE 24 4.519 -6.614 2.528 210 H HIS 25 H HIS 25 0.253 -9.935 -1.743 211 HA HIS 25 HA HIS 25 -1.911 -8.253 -2.673 212 1HB HIS 25 HB2 HIS 25 -2.028 -11.245 -2.622 213 2HB HIS 25 HB3 HIS 25 -2.724 -10.129 -3.784 214 HD1 HIS 25 HD1 HIS 25 -0.085 -12.482 -3.499 215 HD2 HIS 25 HD2 HIS 25 -0.508 -8.781 -5.336 216 HE1 HIS 25 HE1 HIS 25 1.725 -12.388 -5.239 217 HE2 HIS 25 HE2 HIS 25 1.352 -10.203 -6.435 218 H LEU 26 H LEU 26 -3.081 -7.464 -1.013 219 HA LEU 26 HA LEU 26 -3.797 -9.225 1.210 220 1HB LEU 26 HB2 LEU 26 -4.300 -6.277 0.855 221 2HB LEU 26 HB3 LEU 26 -4.584 -7.199 2.315 222 HG LEU 26 HG LEU 26 -1.832 -6.961 1.123 223 1HD1 LEU 26 3HD1 LEU 26 -2.661 -4.696 1.475 224 2HD1 LEU 26 2HD1 LEU 26 -3.116 -5.111 3.128 225 3HD1 LEU 26 1HD1 LEU 26 -1.417 -5.106 2.656 226 1HD2 LEU 26 2HD2 LEU 26 -2.356 -8.706 2.851 227 2HD2 LEU 26 1HD2 LEU 26 -1.084 -7.568 3.298 228 3HD2 LEU 26 3HD2 LEU 26 -2.703 -7.390 3.974 229 H LYS 27 H LYS 27 -5.944 -9.599 1.802 230 HA LYS 27 HA LYS 27 -7.841 -9.242 -0.406 231 1HB LYS 27 HB2 LYS 27 -8.234 -11.055 1.961 232 2HB LYS 27 HB3 LYS 27 -9.035 -11.116 0.399 233 1HG LYS 27 HG2 LYS 27 -6.825 -11.683 -0.626 234 2HG LYS 27 HG3 LYS 27 -6.179 -11.829 1.011 235 1HD LYS 27 HD2 LYS 27 -7.828 -13.565 1.513 236 2HD LYS 27 HD3 LYS 27 -8.476 -13.423 -0.122 237 1HE LYS 27 HE2 LYS 27 -5.671 -14.258 0.603 238 2HE LYS 27 HE3 LYS 27 -6.964 -15.332 0.073 239 1HZ LYS 27 HZ3 LYS 27 -5.775 -13.135 -1.533 240 2HZ LYS 27 HZ2 LYS 27 -5.473 -14.785 -1.742 241 3HZ LYS 27 HZ1 LYS 27 -7.017 -14.164 -2.041 242 H GLY 28 H GLY 28 -10.116 -8.855 0.196 243 1HA GLY 28 HA3 GLY 28 -10.307 -6.511 1.777 244 2HA GLY 28 HA2 GLY 28 -10.959 -7.882 2.657 245 H ASN 29 H ASN 29 -12.263 -5.454 1.576 246 HA ASN 29 HA ASN 29 -13.811 -6.080 -0.691 247 1HB ASN 29 HB2 ASN 29 -14.757 -7.826 0.748 248 2HB ASN 29 HB3 ASN 29 -15.164 -6.616 1.962 249 1HD2 ASN 29 1HD2 ASN 29 -17.344 -7.105 1.875 250 2HD2 ASN 29 2HD2 ASN 29 -18.340 -6.655 0.537 251 HA PRO 30 HA PRO 30 -13.897 -1.632 0.323 252 1HB PRO 30 HB2 PRO 30 -14.952 -0.969 -2.153 253 2HB PRO 30 HB3 PRO 30 -13.230 -1.064 -1.777 254 1HG PRO 30 HG2 PRO 30 -14.998 -3.079 -3.095 255 2HG PRO 30 HG3 PRO 30 -13.320 -2.642 -3.467 256 1HD PRO 30 HD2 PRO 30 -13.910 -4.883 -2.127 257 2HD PRO 30 HD3 PRO 30 -12.469 -3.924 -1.730 258 H THR 31 H THR 31 -16.413 -3.767 -0.776 259 HA THR 31 HA THR 31 -18.603 -2.028 -0.678 260 HB THR 31 HB THR 31 -18.607 -4.984 -0.049 261 HG1 THR 31 HG1 THR 31 -19.341 -4.550 -2.539 262 1HG2 THR 31 1HG2 THR 31 -20.693 -3.837 0.479 263 2HG2 THR 31 3HG2 THR 31 -20.738 -3.157 -1.146 264 3HG2 THR 31 2HG2 THR 31 -20.894 -4.898 -0.915 265 H THR 32 H THR 32 -16.855 -3.736 1.822 266 HA THR 32 HA THR 32 -18.759 -3.589 3.882 267 HB THR 32 HB THR 32 -16.902 -3.902 5.437 268 HG1 THR 32 HG1 THR 32 -14.787 -3.734 4.751 269 1HG2 THR 32 2HG2 THR 32 -17.705 -5.851 4.197 270 2HG2 THR 32 1HG2 THR 32 -16.553 -5.512 2.905 271 3HG2 THR 32 3HG2 THR 32 -15.973 -5.971 4.506 272 H GLY 33 H GLY 33 -15.993 -1.442 3.182 273 1HA GLY 33 HA3 GLY 33 -17.073 0.533 5.042 274 2HA GLY 33 HA2 GLY 33 -17.001 0.997 3.349 275 H TYR 34 H TYR 34 -14.655 -0.952 5.150 276 HA TYR 34 HA TYR 34 -12.811 1.254 5.368 277 1HB TYR 34 HB2 TYR 34 -12.516 -1.677 6.036 278 2HB TYR 34 HB3 TYR 34 -11.273 -0.468 6.337 279 HD1 TYR 34 HD1 TYR 34 -14.748 -1.433 7.201 280 HD2 TYR 34 HD2 TYR 34 -11.328 0.860 8.296 281 HE1 TYR 34 HE1 TYR 34 -15.781 -0.939 9.376 282 HE2 TYR 34 HE2 TYR 34 -12.357 1.357 10.471 283 HH TYR 34 HH TYR 34 -14.603 1.451 11.471 284 H MET 35 H MET 35 -10.391 0.444 4.828 285 HA MET 35 HA MET 35 -10.198 -0.749 2.201 286 1HB MET 35 HB2 MET 35 -10.417 1.376 1.339 287 2HB MET 35 HB3 MET 35 -9.835 2.142 2.811 288 1HG MET 35 HG2 MET 35 -7.549 1.362 2.249 289 2HG MET 35 HG3 MET 35 -8.184 0.769 0.732 290 1HE MET 35 HE2 MET 35 -10.332 2.975 0.007 291 2HE MET 35 HE1 MET 35 -9.402 4.107 -0.975 292 3HE MET 35 HE3 MET 35 -9.197 2.371 -1.201 293 H TRP 36 H TRP 36 -8.040 -1.337 1.691 294 HA TRP 36 HA TRP 36 -6.258 -1.369 4.027 295 1HB TRP 36 HB2 TRP 36 -6.890 -3.325 1.932 296 2HB TRP 36 HB3 TRP 36 -5.182 -3.158 2.286 297 HD1 TRP 36 HD1 TRP 36 -8.035 -5.132 3.314 298 HE1 TRP 36 HE1 TRP 36 -7.682 -6.182 5.638 299 HE3 TRP 36 HE3 TRP 36 -4.043 -2.345 4.859 300 HZ2 TRP 36 HZ2 TRP 36 -5.936 -5.867 7.835 301 HZ3 TRP 36 HZ3 TRP 36 -3.089 -2.780 7.080 302 HH2 TRP 36 HH2 TRP 36 -4.019 -4.504 8.539 303 H THR 37 H THR 37 -5.363 0.675 3.655 304 HA THR 37 HA THR 37 -3.491 0.746 1.381 305 HB THR 37 HB THR 37 -5.447 2.213 0.907 306 HG1 THR 37 HG1 THR 37 -4.112 3.617 -0.003 307 1HG2 THR 37 1HG2 THR 37 -4.454 3.715 3.333 308 2HG2 THR 37 3HG2 THR 37 -5.675 4.299 2.201 309 3HG2 THR 37 2HG2 THR 37 -5.995 2.869 3.183 310 H ARG 38 H ARG 38 -2.211 3.185 2.028 311 HA ARG 38 HA ARG 38 -0.810 2.330 4.428 312 1HB ARG 38 HB2 ARG 38 -0.130 4.012 2.095 313 2HB ARG 38 HB3 ARG 38 0.601 4.473 3.616 314 1HG ARG 38 HG2 ARG 38 1.660 2.384 3.853 315 2HG ARG 38 HG3 ARG 38 0.765 1.713 2.488 316 1HD ARG 38 HD2 ARG 38 3.123 2.379 2.002 317 2HD ARG 38 HD3 ARG 38 1.935 3.075 0.942 318 HE ARG 38 HE ARG 38 2.303 5.172 1.981 319 1HH1 ARG 38 1HH1 ARG 38 4.378 2.638 3.170 320 2HH1 ARG 38 2HH1 ARG 38 5.579 3.727 3.780 321 1HH2 ARG 38 1HH2 ARG 38 3.900 6.616 2.766 322 2HH2 ARG 38 2HH2 ARG 38 5.306 5.984 3.553 323 H VAL 39 H VAL 39 -0.408 3.652 6.214 324 HA VAL 39 HA VAL 39 -2.587 5.260 7.035 325 HB VAL 39 HB VAL 39 0.132 5.161 8.338 326 1HG1 VAL 39 3HG1 VAL 39 -2.626 5.681 9.444 327 2HG1 VAL 39 2HG1 VAL 39 -1.140 5.595 10.390 328 3HG1 VAL 39 1HG1 VAL 39 -1.354 6.879 9.201 329 1HG2 VAL 39 2HG2 VAL 39 -0.927 2.890 7.813 330 2HG2 VAL 39 1HG2 VAL 39 -0.437 3.203 9.480 331 3HG2 VAL 39 3HG2 VAL 39 -2.137 3.321 9.021 332 H GLY 40 H GLY 40 -2.865 7.431 7.097 333 1HA GLY 40 HA3 GLY 40 -0.661 9.258 6.732 334 2HA GLY 40 HA2 GLY 40 -2.351 9.689 6.944 335 H PHE 41 H PHE 41 -2.363 7.433 4.600 336 HA PHE 41 HA PHE 41 -2.230 9.464 2.473 337 1HB PHE 41 HB2 PHE 41 -1.382 6.574 2.211 338 2HB PHE 41 HB3 PHE 41 -1.286 7.811 0.961 339 HD1 PHE 41 HD1 PHE 41 0.210 9.825 1.412 340 HD2 PHE 41 HD2 PHE 41 0.355 6.241 3.691 341 HE1 PHE 41 HE1 PHE 41 2.454 10.439 2.218 342 HE2 PHE 41 HE2 PHE 41 2.600 6.842 4.505 343 HZ PHE 41 HZ PHE 41 3.652 8.945 3.769 344 H VAL 42 H VAL 42 -4.111 7.436 4.184 345 HA VAL 42 HA VAL 42 -5.721 6.088 2.379 346 HB VAL 42 HB VAL 42 -6.712 7.423 4.899 347 1HG1 VAL 42 3HG1 VAL 42 -8.390 6.444 3.333 348 2HG1 VAL 42 2HG1 VAL 42 -7.615 4.878 3.575 349 3HG1 VAL 42 1HG1 VAL 42 -8.368 5.708 4.936 350 1HG2 VAL 42 1HG2 VAL 42 -4.562 6.037 5.082 351 2HG2 VAL 42 3HG2 VAL 42 -5.894 5.656 6.171 352 3HG2 VAL 42 2HG2 VAL 42 -5.599 4.648 4.757 353 H GLY 43 H GLY 43 -6.552 6.967 0.596 354 1HA GLY 43 HA3 GLY 43 -8.102 9.464 0.890 355 2HA GLY 43 HA2 GLY 43 -8.505 8.176 -0.238 356 H LYS 44 H LYS 44 -5.225 9.225 0.286 357 HA LYS 44 HA LYS 44 -5.078 11.121 -1.803 358 1HB LYS 44 HB2 LYS 44 -2.921 9.474 -0.472 359 2HB LYS 44 HB3 LYS 44 -2.626 10.835 -1.540 360 1HG LYS 44 HG2 LYS 44 -3.842 12.296 0.038 361 2HG LYS 44 HG3 LYS 44 -4.012 10.917 1.129 362 1HD LYS 44 HD2 LYS 44 -1.574 10.729 1.268 363 2HD LYS 44 HD3 LYS 44 -1.407 12.110 0.181 364 1HE LYS 44 HE2 LYS 44 -2.557 13.530 1.807 365 2HE LYS 44 HE3 LYS 44 -2.727 12.150 2.892 366 1HZ LYS 44 HZ2 LYS 44 -0.320 12.011 3.036 367 2HZ LYS 44 HZ1 LYS 44 -0.156 13.334 1.995 368 3HZ LYS 44 HZ3 LYS 44 -0.859 13.539 3.521 369 H ASP 45 H ASP 45 -3.343 10.727 -3.609 370 HA ASP 45 HA ASP 45 -4.318 8.509 -5.183 371 1HB ASP 45 HB2 ASP 45 -2.487 10.832 -5.780 372 2HB ASP 45 HB3 ASP 45 -2.865 9.580 -6.950 373 H VAL 46 H VAL 46 -1.302 9.592 -3.712 374 HA VAL 46 HA VAL 46 -0.171 6.926 -4.241 375 HB VAL 46 HB VAL 46 1.089 9.607 -4.637 376 1HG1 VAL 46 3HG1 VAL 46 2.584 7.101 -3.872 377 2HG1 VAL 46 2HG1 VAL 46 3.330 8.528 -4.591 378 3HG1 VAL 46 1HG1 VAL 46 2.566 8.637 -3.006 379 1HG2 VAL 46 2HG2 VAL 46 0.221 8.313 -6.534 380 2HG2 VAL 46 1HG2 VAL 46 1.968 8.545 -6.631 381 3HG2 VAL 46 3HG2 VAL 46 1.313 6.991 -6.113 382 H LEU 47 H LEU 47 0.629 5.884 -2.559 383 HA LEU 47 HA LEU 47 0.434 7.096 0.059 384 1HB LEU 47 HB2 LEU 47 1.486 4.354 -0.392 385 2HB LEU 47 HB3 LEU 47 0.493 4.958 0.913 386 HG LEU 47 HG LEU 47 -0.454 4.418 -1.904 387 1HD1 LEU 47 3HD1 LEU 47 -0.912 2.907 0.664 388 2HD1 LEU 47 2HD1 LEU 47 -1.718 2.579 -0.869 389 3HD1 LEU 47 1HD1 LEU 47 0.026 2.360 -0.726 390 1HD2 LEU 47 2HD2 LEU 47 -1.963 5.291 0.556 391 2HD2 LEU 47 1HD2 LEU 47 -1.698 6.238 -0.908 392 3HD2 LEU 47 3HD2 LEU 47 -2.701 4.788 -0.965 393 H SER 48 H SER 48 2.901 5.419 -1.841 394 HA SER 48 HA SER 48 5.109 5.723 -0.235 395 1HB SER 48 HB2 SER 48 5.098 4.428 -2.323 396 2HB SER 48 HB3 SER 48 5.011 5.921 -3.253 397 HG SER 48 HG SER 48 7.061 6.346 -2.816 398 H ASP 49 H ASP 49 7.095 7.140 -0.962 399 HA ASP 49 HA ASP 49 6.442 9.830 -1.759 400 1HB ASP 49 HB2 ASP 49 7.172 9.201 1.096 401 2HB ASP 49 HB3 ASP 49 7.459 10.787 0.388 402 H GLU 50 H GLU 50 9.029 9.115 0.471 403 HA GLU 50 HA GLU 50 10.961 9.116 -1.745 404 1HB GLU 50 HB2 GLU 50 12.394 10.612 -0.487 405 2HB GLU 50 HB3 GLU 50 10.808 11.343 -0.696 406 1HG GLU 50 HG2 GLU 50 10.198 10.736 1.569 407 2HG GLU 50 HG3 GLU 50 11.760 9.949 1.794 408 H ILE 51 H ILE 51 10.147 8.162 1.516 409 HA ILE 51 HA ILE 51 12.571 6.805 2.112 410 HB ILE 51 HB ILE 51 9.842 6.306 3.295 411 1HG1 ILE 51 2HG1 ILE 51 10.486 8.707 3.325 412 2HG1 ILE 51 3HG1 ILE 51 10.361 8.001 4.929 413 1HG2 ILE 51 3HG2 ILE 51 12.630 5.799 4.317 414 2HG2 ILE 51 2HG2 ILE 51 11.171 5.667 5.299 415 3HG2 ILE 51 1HG2 ILE 51 11.403 4.598 3.914 416 1HD1 ILE 51 2HD1 ILE 51 12.934 8.427 3.429 417 2HD1 ILE 51 1HD1 ILE 51 12.298 9.491 4.685 418 3HD1 ILE 51 3HD1 ILE 51 12.764 7.838 5.083 419 H LEU 52 H LEU 52 9.398 5.258 1.937 420 HA LEU 52 HA LEU 52 10.660 2.971 0.594 421 1HB LEU 52 HB2 LEU 52 8.378 3.292 2.458 422 2HB LEU 52 HB3 LEU 52 8.240 2.030 1.251 423 HG LEU 52 HG LEU 52 10.559 2.269 3.156 424 1HD1 LEU 52 1HD1 LEU 52 8.077 0.572 3.356 425 2HD1 LEU 52 3HD1 LEU 52 9.503 0.418 4.384 426 3HD1 LEU 52 2HD1 LEU 52 8.537 1.893 4.430 427 1HD2 LEU 52 3HD2 LEU 52 10.937 1.040 1.032 428 2HD2 LEU 52 2HD2 LEU 52 11.083 0.029 2.469 429 3HD2 LEU 52 1HD2 LEU 52 9.627 -0.052 1.477 430 H GLU 53 H GLU 53 10.431 2.944 -1.563 431 HA GLU 53 HA GLU 53 8.440 4.363 -2.972 432 1HB GLU 53 HB2 GLU 53 10.660 2.592 -3.598 433 2HB GLU 53 HB3 GLU 53 9.285 2.310 -4.656 434 1HG GLU 53 HG2 GLU 53 10.001 5.121 -4.229 435 2HG GLU 53 HG3 GLU 53 11.190 4.151 -5.091 436 H VAL 54 H VAL 54 6.621 3.586 -1.625 437 HA VAL 54 HA VAL 54 5.757 0.868 -1.936 438 HB VAL 54 HB VAL 54 4.081 3.136 -0.891 439 1HG1 VAL 54 3HG1 VAL 54 4.074 0.159 -0.427 440 2HG1 VAL 54 2HG1 VAL 54 3.035 1.313 0.406 441 3HG1 VAL 54 1HG1 VAL 54 2.884 1.092 -1.336 442 1HG2 VAL 54 3HG2 VAL 54 6.308 1.640 0.429 443 2HG2 VAL 54 2HG2 VAL 54 5.938 3.362 0.471 444 3HG2 VAL 54 1HG2 VAL 54 4.941 2.225 1.377 445 H VAL 55 H VAL 55 5.571 0.684 -4.213 446 HA VAL 55 HA VAL 55 3.629 2.302 -5.596 447 HB VAL 55 HB VAL 55 4.925 -0.251 -6.535 448 1HG1 VAL 55 1HG1 VAL 55 2.873 0.479 -7.720 449 2HG1 VAL 55 3HG1 VAL 55 3.679 1.999 -8.106 450 3HG1 VAL 55 2HG1 VAL 55 4.309 0.480 -8.747 451 1HG2 VAL 55 2HG2 VAL 55 6.635 1.394 -5.963 452 2HG2 VAL 55 1HG2 VAL 55 6.533 1.186 -7.712 453 3HG2 VAL 55 3HG2 VAL 55 5.814 2.604 -6.948 454 H CYS 56 H CYS 56 1.842 1.923 -4.302 455 HA CYS 56 HA CYS 56 0.748 -0.787 -4.241 456 1HB CYS 56 HB2 CYS 56 0.791 0.303 -2.093 457 2HB CYS 56 HB3 CYS 56 -0.024 1.721 -2.746 458 HG CYS 56 HG CYS 56 -2.022 -0.697 -3.410 459 H LYS 57 H LYS 57 -1.129 -1.350 -5.180 460 HA LYS 57 HA LYS 57 -2.628 0.709 -6.629 461 1HB LYS 57 HB2 LYS 57 -2.126 -2.005 -7.807 462 2HB LYS 57 HB3 LYS 57 -2.725 -0.563 -8.608 463 1HG LYS 57 HG2 LYS 57 -0.531 0.483 -8.382 464 2HG LYS 57 HG3 LYS 57 0.076 -0.968 -7.580 465 1HD LYS 57 HD2 LYS 57 -0.433 -2.275 -9.603 466 2HD LYS 57 HD3 LYS 57 -0.981 -0.799 -10.402 467 1HE LYS 57 HE2 LYS 57 1.295 -1.332 -11.066 468 2HE LYS 57 HE3 LYS 57 1.254 0.167 -10.138 469 1HZ LYS 57 HZ1 LYS 57 1.972 -1.064 -8.186 470 2HZ LYS 57 HZ3 LYS 57 2.014 -2.501 -9.078 471 3HZ LYS 57 HZ2 LYS 57 3.084 -1.245 -9.448 472 H TYR 58 H TYR 58 -4.530 0.719 -5.691 473 HA TYR 58 HA TYR 58 -5.659 -1.595 -4.421 474 1HB TYR 58 HB2 TYR 58 -5.978 0.792 -3.628 475 2HB TYR 58 HB3 TYR 58 -7.024 1.043 -5.022 476 HD1 TYR 58 HD1 TYR 58 -7.300 0.894 -1.742 477 HD2 TYR 58 HD2 TYR 58 -8.632 -1.398 -5.090 478 HE1 TYR 58 HE1 TYR 58 -9.241 0.095 -0.449 479 HE2 TYR 58 HE2 TYR 58 -10.547 -2.213 -3.798 480 HH TYR 58 HH TYR 58 -11.488 -0.810 -0.848 481 H THR 59 H THR 59 -6.203 -3.189 -5.803 482 HA THR 59 HA THR 59 -7.607 -2.522 -8.285 483 HB THR 59 HB THR 59 -6.590 -5.225 -7.396 484 HG1 THR 59 HG1 THR 59 -4.753 -4.083 -7.663 485 1HG2 THR 59 3HG2 THR 59 -7.388 -4.161 -10.110 486 2HG2 THR 59 2HG2 THR 59 -6.729 -5.765 -9.788 487 3HG2 THR 59 1HG2 THR 59 -8.304 -5.311 -9.135 488 HA PRO 60 HA PRO 60 -11.292 -4.139 -6.262 489 1HB PRO 60 HB2 PRO 60 -12.965 -2.285 -7.187 490 2HB PRO 60 HB3 PRO 60 -11.770 -1.877 -5.956 491 1HG PRO 60 HG2 PRO 60 -11.838 -1.160 -8.821 492 2HG PRO 60 HG3 PRO 60 -11.031 -0.340 -7.476 493 1HD PRO 60 HD2 PRO 60 -9.916 -2.199 -9.374 494 2HD PRO 60 HD3 PRO 60 -9.092 -1.300 -8.086 495 H THR 61 H THR 61 -11.437 -6.078 -7.468 496 HA THR 61 HA THR 61 -12.116 -6.068 -10.252 497 HB THR 61 HB THR 61 -12.636 -8.563 -8.793 498 HG1 THR 61 HG1 THR 61 -10.542 -8.877 -8.119 499 1HG2 THR 61 2HG2 THR 61 -10.811 -7.810 -11.078 500 2HG2 THR 61 1HG2 THR 61 -11.127 -9.455 -10.529 501 3HG2 THR 61 3HG2 THR 61 -12.434 -8.488 -11.214 502 HA PRO 62 HA PRO 62 -16.522 -5.715 -9.891 503 1HB PRO 62 HB2 PRO 62 -16.688 -7.287 -12.374 504 2HB PRO 62 HB3 PRO 62 -17.196 -5.626 -12.064 505 1HG PRO 62 HG2 PRO 62 -15.053 -6.183 -13.580 506 2HG PRO 62 HG3 PRO 62 -15.106 -4.761 -12.523 507 1HD PRO 62 HD2 PRO 62 -13.743 -7.394 -12.089 508 2HD PRO 62 HD3 PRO 62 -13.165 -5.752 -11.737 509 H SER 63 H SER 63 -18.511 -7.224 -10.338 510 HA SER 63 HA SER 63 -18.078 -9.599 -8.738 511 1HB SER 63 HB2 SER 63 -20.031 -8.061 -8.379 512 2HB SER 63 HB3 SER 63 -20.667 -8.589 -9.938 513 HG SER 63 HG SER 63 -20.074 -10.329 -7.777 514 H SER 64 H SER 64 -19.719 -11.486 -9.538 515 HA SER 64 HA SER 64 -18.494 -12.464 -11.958 516 1HB SER 64 HB2 SER 64 -18.838 -13.979 -10.063 517 2HB SER 64 HB3 SER 64 -20.580 -13.722 -10.159 518 HG SER 64 HG SER 64 -19.762 -14.446 -12.562 519 H THR 65 H THR 65 -21.909 -12.282 -10.938 520 HA THR 65 HA THR 65 -22.651 -11.986 -13.755 521 HB THR 65 HB THR 65 -24.415 -12.729 -11.422 522 HG1 THR 65 HG1 THR 65 -22.882 -14.360 -12.027 523 1HG2 THR 65 2HG2 THR 65 -24.963 -12.712 -14.392 524 2HG2 THR 65 1HG2 THR 65 -26.054 -13.330 -13.153 525 3HG2 THR 65 3HG2 THR 65 -25.657 -11.613 -13.201 526 HA PRO 66 HA PRO 66 -25.088 -8.432 -11.523 527 1HB PRO 66 HB2 PRO 66 -23.630 -8.058 -9.000 528 2HB PRO 66 HB3 PRO 66 -25.367 -8.217 -9.277 529 1HG PRO 66 HG2 PRO 66 -23.945 -10.164 -8.090 530 2HG PRO 66 HG3 PRO 66 -25.308 -10.524 -9.166 531 1HD PRO 66 HD2 PRO 66 -22.366 -10.594 -9.752 532 2HD PRO 66 HD3 PRO 66 -23.623 -11.766 -10.203 533 H MET 67 H MET 67 -24.019 -6.264 -10.104 534 HA MET 67 HA MET 67 -21.411 -5.642 -11.193 535 1HB MET 67 HB2 MET 67 -22.199 -3.643 -12.420 536 2HB MET 67 HB3 MET 67 -22.800 -5.140 -13.119 537 1HG MET 67 HG2 MET 67 -24.952 -4.795 -12.025 538 2HG MET 67 HG3 MET 67 -24.350 -3.298 -11.314 539 1HE MET 67 HE3 MET 67 -26.454 -2.002 -12.300 540 2HE MET 67 HE2 MET 67 -26.914 -2.036 -14.002 541 3HE MET 67 HE1 MET 67 -27.048 -3.497 -13.023 542 H VAL 68 H VAL 68 -23.117 -5.751 -8.660 543 HA VAL 68 HA VAL 68 -22.506 -3.043 -7.676 544 HB VAL 68 HB VAL 68 -24.634 -4.993 -6.799 545 1HG1 VAL 68 1HG1 VAL 68 -23.819 -2.381 -5.523 546 2HG1 VAL 68 3HG1 VAL 68 -25.269 -3.297 -5.118 547 3HG1 VAL 68 2HG1 VAL 68 -23.676 -3.988 -4.811 548 1HG2 VAL 68 2HG2 VAL 68 -24.790 -2.198 -7.921 549 2HG2 VAL 68 1HG2 VAL 68 -25.198 -3.689 -8.769 550 3HG2 VAL 68 3HG2 VAL 68 -26.163 -3.166 -7.388 551 H GLY 69 H GLY 69 -20.807 -2.960 -6.369 552 1HA GLY 69 HA3 GLY 69 -20.103 -5.377 -4.826 553 2HA GLY 69 HA2 GLY 69 -20.095 -3.784 -4.086 554 H VAL 70 H VAL 70 -18.727 -5.487 -6.894 555 HA VAL 70 HA VAL 70 -16.626 -5.561 -7.747 556 HB VAL 70 HB VAL 70 -16.707 -2.644 -6.992 557 1HG1 VAL 70 1HG1 VAL 70 -14.860 -4.090 -8.891 558 2HG1 VAL 70 3HG1 VAL 70 -14.946 -2.343 -8.681 559 3HG1 VAL 70 2HG1 VAL 70 -14.407 -3.364 -7.349 560 1HG2 VAL 70 1HG2 VAL 70 -17.347 -4.051 -9.579 561 2HG2 VAL 70 3HG2 VAL 70 -18.503 -3.282 -8.491 562 3HG2 VAL 70 2HG2 VAL 70 -17.312 -2.303 -9.347 563 H GLY 71 H GLY 71 -15.684 -6.945 -6.242 564 1HA GLY 71 HA3 GLY 71 -14.733 -7.225 -3.984 565 2HA GLY 71 HA2 GLY 71 -14.053 -5.615 -4.166 566 H GLY 72 H GLY 72 -11.910 -5.892 -4.179 567 1HA GLY 72 HA3 GLY 72 -10.224 -6.414 -6.047 568 2HA GLY 72 HA2 GLY 72 -10.783 -8.062 -5.824 569 H ILE 73 H ILE 73 -8.240 -6.253 -5.220 570 HA ILE 73 HA ILE 73 -7.840 -7.044 -2.446 571 HB ILE 73 HB ILE 73 -5.626 -7.989 -2.941 572 1HG1 ILE 73 2HG1 ILE 73 -6.379 -8.358 -5.798 573 2HG1 ILE 73 3HG1 ILE 73 -5.637 -6.840 -5.294 574 1HG2 ILE 73 1HG2 ILE 73 -7.629 -9.404 -2.612 575 2HG2 ILE 73 3HG2 ILE 73 -7.778 -9.510 -4.367 576 3HG2 ILE 73 2HG2 ILE 73 -6.346 -10.156 -3.560 577 1HD1 ILE 73 2HD1 ILE 73 -3.751 -8.114 -4.349 578 2HD1 ILE 73 1HD1 ILE 73 -4.481 -9.597 -4.965 579 3HD1 ILE 73 3HD1 ILE 73 -3.941 -8.350 -6.089 580 H TYR 74 H TYR 74 -5.148 -6.523 -2.270 581 HA TYR 74 HA TYR 74 -4.829 -3.762 -3.200 582 1HB TYR 74 HB2 TYR 74 -4.020 -4.526 -0.412 583 2HB TYR 74 HB3 TYR 74 -4.391 -2.931 -1.064 584 HD1 TYR 74 HD1 TYR 74 -5.875 -6.101 0.129 585 HD2 TYR 74 HD2 TYR 74 -6.632 -2.086 -1.053 586 HE1 TYR 74 HE1 TYR 74 -8.156 -6.281 1.007 587 HE2 TYR 74 HE2 TYR 74 -8.920 -2.265 -0.167 588 HH TYR 74 HH TYR 74 -10.574 -4.016 0.325 589 H VAL 75 H VAL 75 -3.173 -4.120 -4.600 590 HA VAL 75 HA VAL 75 -0.976 -5.878 -3.884 591 HB VAL 75 HB VAL 75 -1.490 -4.252 -6.379 592 1HG1 VAL 75 1HG1 VAL 75 0.731 -6.205 -5.782 593 2HG1 VAL 75 3HG1 VAL 75 0.380 -5.519 -7.368 594 3HG1 VAL 75 2HG1 VAL 75 0.901 -4.471 -6.050 595 1HG2 VAL 75 1HG2 VAL 75 -3.008 -6.141 -6.066 596 2HG2 VAL 75 3HG2 VAL 75 -1.910 -6.421 -7.417 597 3HG2 VAL 75 2HG2 VAL 75 -1.628 -7.222 -5.871 598 H VAL 76 H VAL 76 0.384 -5.031 -2.439 599 HA VAL 76 HA VAL 76 1.258 -2.246 -2.800 600 HB VAL 76 HB VAL 76 1.598 -3.981 -0.356 601 1HG1 VAL 76 2HG1 VAL 76 2.024 -1.035 -0.837 602 2HG1 VAL 76 1HG1 VAL 76 2.054 -1.806 0.750 603 3HG1 VAL 76 3HG1 VAL 76 3.255 -2.242 -0.465 604 1HG2 VAL 76 1HG2 VAL 76 -0.769 -3.564 -0.808 605 2HG2 VAL 76 3HG2 VAL 76 -0.228 -2.695 0.626 606 3HG2 VAL 76 2HG2 VAL 76 -0.450 -1.832 -0.895 607 H LEU 77 H LEU 77 3.181 -1.915 -3.689 608 HA LEU 77 HA LEU 77 5.255 -3.988 -3.419 609 1HB LEU 77 HB2 LEU 77 4.878 -1.846 -5.511 610 2HB LEU 77 HB3 LEU 77 6.318 -2.839 -5.391 611 HG LEU 77 HG LEU 77 3.512 -3.826 -5.955 612 1HD1 LEU 77 2HD1 LEU 77 4.496 -2.632 -7.835 613 2HD1 LEU 77 1HD1 LEU 77 5.943 -3.636 -7.727 614 3HD1 LEU 77 3HD1 LEU 77 4.397 -4.361 -8.169 615 1HD2 LEU 77 1HD2 LEU 77 5.184 -5.310 -4.627 616 2HD2 LEU 77 3HD2 LEU 77 4.302 -5.990 -5.996 617 3HD2 LEU 77 2HD2 LEU 77 5.980 -5.487 -6.192 618 H VAL 78 H VAL 78 6.373 -3.430 -1.625 619 HA VAL 78 HA VAL 78 7.046 -0.612 -1.228 620 HB VAL 78 HB VAL 78 8.120 -2.306 0.820 621 1HG1 VAL 78 3HG1 VAL 78 7.603 0.068 1.078 622 2HG1 VAL 78 2HG1 VAL 78 5.885 -0.264 0.829 623 3HG1 VAL 78 1HG1 VAL 78 6.712 -0.893 2.257 624 1HG2 VAL 78 2HG2 VAL 78 6.405 -3.905 0.133 625 2HG2 VAL 78 1HG2 VAL 78 6.059 -3.232 1.724 626 3HG2 VAL 78 3HG2 VAL 78 5.171 -2.658 0.312 627 H LYS 79 H LYS 79 8.780 0.023 -2.303 628 HA LYS 79 HA LYS 79 11.118 -1.755 -2.424 629 1HB LYS 79 HB2 LYS 79 10.015 0.302 -4.279 630 2HB LYS 79 HB3 LYS 79 11.755 0.044 -4.259 631 1HG LYS 79 HG2 LYS 79 11.394 -2.336 -4.725 632 2HG LYS 79 HG3 LYS 79 9.645 -2.043 -4.808 633 1HD LYS 79 HD2 LYS 79 11.690 -0.680 -6.563 634 2HD LYS 79 HD3 LYS 79 10.777 -2.115 -7.032 635 1HE LYS 79 HE2 LYS 79 9.602 0.560 -6.287 636 2HE LYS 79 HE3 LYS 79 9.762 -0.076 -7.923 637 1HZ LYS 79 HZ3 LYS 79 8.293 -1.904 -7.305 638 2HZ LYS 79 HZ2 LYS 79 8.121 -1.261 -5.749 639 3HZ LYS 79 HZ1 LYS 79 7.533 -0.408 -7.086 640 HA PRO 80 HA PRO 80 12.684 1.136 0.727 641 1HB PRO 80 HB2 PRO 80 15.079 -0.552 0.205 642 2HB PRO 80 HB3 PRO 80 14.349 -0.077 1.741 643 1HG PRO 80 HG2 PRO 80 14.038 -2.544 0.770 644 2HG PRO 80 HG3 PRO 80 12.733 -1.719 1.639 645 1HD PRO 80 HD2 PRO 80 13.041 -2.237 -1.279 646 2HD PRO 80 HD3 PRO 80 11.569 -2.149 -0.291 647 H ARG 81 H ARG 81 12.863 3.042 -0.408 648 HA ARG 81 HA ARG 81 14.638 3.402 -2.607 649 1HB ARG 81 HB2 ARG 81 12.684 4.980 -1.171 650 2HB ARG 81 HB3 ARG 81 14.127 5.922 -1.513 651 1HG ARG 81 HG2 ARG 81 13.925 5.439 -3.872 652 2HG ARG 81 HG3 ARG 81 12.530 4.401 -3.559 653 1HD ARG 81 HD2 ARG 81 11.262 6.281 -2.737 654 2HD ARG 81 HD3 ARG 81 12.663 7.341 -2.908 655 HE ARG 81 HE ARG 81 11.869 6.067 -5.360 656 1HH1 ARG 81 1HH1 ARG 81 11.368 8.800 -3.258 657 2HH1 ARG 81 2HH1 ARG 81 10.750 9.817 -4.516 658 1HH2 ARG 81 1HH2 ARG 81 11.059 7.400 -7.022 659 2HH2 ARG 81 2HH2 ARG 81 10.574 9.022 -6.655 660 H LYS 82 H LYS 82 14.817 3.999 0.847 661 HA LYS 82 HA LYS 82 17.649 4.752 0.533 662 1HB LYS 82 HB2 LYS 82 15.825 5.609 2.784 663 2HB LYS 82 HB3 LYS 82 17.456 6.178 2.465 664 1HG LYS 82 HG2 LYS 82 16.659 7.193 0.363 665 2HG LYS 82 HG3 LYS 82 15.019 6.680 0.770 666 1HD LYS 82 HD2 LYS 82 15.112 8.023 2.818 667 2HD LYS 82 HD3 LYS 82 16.742 8.549 2.393 668 1HE LYS 82 HE2 LYS 82 14.251 9.055 0.768 669 2HE LYS 82 HE3 LYS 82 15.056 10.231 1.806 670 1HZ LYS 82 HZ3 LYS 82 17.021 10.062 0.409 671 2HZ LYS 82 HZ2 LYS 82 16.246 8.936 -0.588 672 3HZ LYS 82 HZ1 LYS 82 15.676 10.526 -0.507 673 H ARG 83 H ARG 83 18.864 4.382 2.694 674 HA ARG 83 HA ARG 83 18.155 1.694 3.665 675 1HB ARG 83 HB2 ARG 83 20.872 2.949 3.913 676 2HB ARG 83 HB3 ARG 83 20.443 1.245 3.940 677 1HG ARG 83 HG2 ARG 83 20.277 1.104 1.657 678 2HG ARG 83 HG3 ARG 83 19.932 2.824 1.468 679 1HD ARG 83 HD2 ARG 83 22.584 1.582 2.168 680 2HD ARG 83 HD3 ARG 83 22.144 2.346 0.642 681 HE ARG 83 HE ARG 83 21.767 4.202 2.698 682 1HH1 ARG 83 1HH1 ARG 83 24.357 2.509 1.094 683 2HH1 ARG 83 2HH1 ARG 83 25.521 3.760 1.376 684 1HH2 ARG 83 1HH2 ARG 83 23.294 5.853 3.073 685 2HH2 ARG 83 2HH2 ARG 83 24.918 5.660 2.501 686 H GLY 84 H GLY 84 17.936 1.317 5.827 687 1HA GLY 84 HA3 GLY 84 17.999 3.692 7.555 688 2HA GLY 84 HA2 GLY 84 18.895 2.266 8.053 689 H HIS 85 H HIS 85 16.085 3.893 8.480 690 HA HIS 85 HA HIS 85 14.707 1.454 9.385 691 1HB HIS 85 HB2 HIS 85 14.462 4.285 10.422 692 2HB HIS 85 HB3 HIS 85 13.574 2.894 11.035 693 HD1 HIS 85 HD1 HIS 85 16.745 4.696 11.374 694 HD2 HIS 85 HD2 HIS 85 15.253 0.947 12.364 695 HE1 HIS 85 HE1 HIS 85 18.363 3.751 13.052 696 HE2 HIS 85 HE2 HIS 85 17.483 1.449 13.576 697 H HIS 86 H HIS 86 13.379 0.920 7.739 698 HA HIS 86 HA HIS 86 11.470 2.973 6.823 699 1HB HIS 86 HB2 HIS 86 12.572 0.596 5.309 700 2HB HIS 86 HB3 HIS 86 11.275 1.632 4.730 701 HD1 HIS 86 HD1 HIS 86 12.277 2.869 2.845 702 HD2 HIS 86 HD2 HIS 86 14.772 2.810 6.166 703 HE1 HIS 86 HE1 HIS 86 14.220 4.347 2.252 704 HE2 HIS 86 HE2 HIS 86 15.676 4.362 4.308 705 H THR 87 H THR 87 9.299 2.202 6.340 706 HA THR 87 HA THR 87 8.540 -0.439 7.197 707 HB THR 87 HB THR 87 7.564 1.918 8.817 708 HG1 THR 87 HG1 THR 87 9.203 1.470 10.067 709 1HG2 THR 87 3HG2 THR 87 5.889 0.135 8.457 710 2HG2 THR 87 2HG2 THR 87 7.021 -1.034 9.137 711 3HG2 THR 87 1HG2 THR 87 6.388 0.267 10.144 712 H LEU 88 H LEU 88 6.453 -1.015 6.611 713 HA LEU 88 HA LEU 88 5.129 0.860 4.779 714 1HB LEU 88 HB2 LEU 88 5.767 -1.174 3.696 715 2HB LEU 88 HB3 LEU 88 5.075 -2.141 4.978 716 HG LEU 88 HG LEU 88 2.817 -1.214 4.307 717 1HD1 LEU 88 3HD1 LEU 88 3.675 0.728 3.066 718 2HD1 LEU 88 2HD1 LEU 88 4.333 -0.365 1.849 719 3HD1 LEU 88 1HD1 LEU 88 2.591 -0.270 2.097 720 1HD2 LEU 88 2HD2 LEU 88 4.394 -2.903 2.380 721 2HD2 LEU 88 1HD2 LEU 88 3.412 -3.459 3.734 722 3HD2 LEU 88 3HD2 LEU 88 2.642 -2.716 2.332 723 H GLU 89 H GLU 89 3.936 2.003 6.302 724 HA GLU 89 HA GLU 89 2.311 0.733 8.252 725 1HB GLU 89 HB2 GLU 89 2.396 3.538 7.164 726 2HB GLU 89 HB3 GLU 89 1.290 3.039 8.437 727 1HG GLU 89 HG2 GLU 89 3.127 2.436 9.853 728 2HG GLU 89 HG3 GLU 89 4.282 2.821 8.579 729 H LEU 90 H LEU 90 0.908 -0.724 7.329 730 HA LEU 90 HA LEU 90 -1.094 0.411 5.490 731 1HB LEU 90 HB2 LEU 90 -0.164 -2.423 5.888 732 2HB LEU 90 HB3 LEU 90 -1.668 -2.049 5.076 733 HG LEU 90 HG LEU 90 1.095 -1.220 4.187 734 1HD1 LEU 90 2HD1 LEU 90 -0.893 -3.186 3.065 735 2HD1 LEU 90 1HD1 LEU 90 0.592 -2.681 2.260 736 3HD1 LEU 90 3HD1 LEU 90 0.671 -3.559 3.787 737 1HD2 LEU 90 2HD2 LEU 90 -1.601 -0.659 2.957 738 2HD2 LEU 90 1HD2 LEU 90 -0.484 0.526 3.637 739 3HD2 LEU 90 3HD2 LEU 90 -0.047 -0.362 2.177 740 H VAL 91 H VAL 91 -3.183 0.487 6.085 741 HA VAL 91 HA VAL 91 -3.997 -0.909 8.531 742 HB VAL 91 HB VAL 91 -3.300 1.305 9.252 743 1HG1 VAL 91 3HG1 VAL 91 -5.244 2.323 7.182 744 2HG1 VAL 91 2HG1 VAL 91 -4.476 3.321 8.418 745 3HG1 VAL 91 1HG1 VAL 91 -3.490 2.528 7.190 746 1HG2 VAL 91 2HG2 VAL 91 -6.292 0.942 9.229 747 2HG2 VAL 91 1HG2 VAL 91 -5.154 0.378 10.453 748 3HG2 VAL 91 3HG2 VAL 91 -5.437 2.106 10.241 749 H TYR 92 H TYR 92 -6.255 -1.160 8.783 750 HA TYR 92 HA TYR 92 -7.766 -1.051 6.274 751 1HB TYR 92 HB2 TYR 92 -7.526 -3.179 7.712 752 2HB TYR 92 HB3 TYR 92 -8.639 -2.399 8.828 753 HD1 TYR 92 HD1 TYR 92 -10.606 -3.624 8.698 754 HD2 TYR 92 HD2 TYR 92 -8.663 -2.457 5.097 755 HE1 TYR 92 HE1 TYR 92 -12.505 -4.489 7.399 756 HE2 TYR 92 HE2 TYR 92 -10.559 -3.317 3.788 757 HH TYR 92 HH TYR 92 -12.381 -4.949 4.041 758 H THR 93 H THR 93 -8.191 1.194 6.331 759 HA THR 93 HA THR 93 -9.963 2.112 8.509 760 HB THR 93 HB THR 93 -7.910 3.340 8.511 761 HG1 THR 93 HG1 THR 93 -9.994 4.513 8.660 762 1HG2 THR 93 3HG2 THR 93 -8.369 3.396 5.570 763 2HG2 THR 93 2HG2 THR 93 -7.532 4.762 6.314 764 3HG2 THR 93 1HG2 THR 93 -6.878 3.131 6.477 765 H ARG 94 H ARG 94 -11.441 3.915 7.877 766 HA ARG 94 HA ARG 94 -12.699 3.325 5.294 767 1HB ARG 94 HB2 ARG 94 -13.712 4.600 7.830 768 2HB ARG 94 HB3 ARG 94 -14.599 4.726 6.319 769 1HG ARG 94 HG2 ARG 94 -14.749 2.286 6.209 770 2HG ARG 94 HG3 ARG 94 -13.872 2.173 7.735 771 1HD ARG 94 HD2 ARG 94 -16.278 1.948 8.080 772 2HD ARG 94 HD3 ARG 94 -15.648 3.394 8.866 773 HE ARG 94 HE ARG 94 -16.597 4.004 6.269 774 1HH1 ARG 94 1HH1 ARG 94 -17.695 3.253 9.490 775 2HH1 ARG 94 2HH1 ARG 94 -19.187 4.115 9.321 776 1HH2 ARG 94 1HH2 ARG 94 -18.560 5.142 6.038 777 2HH2 ARG 94 2HH2 ARG 94 -19.679 5.189 7.358 778 HA PRO 95 HA PRO 95 -10.362 7.089 4.022 779 1HB PRO 95 HB2 PRO 95 -12.084 6.350 1.680 780 2HB PRO 95 HB3 PRO 95 -10.414 6.926 1.706 781 1HG PRO 95 HG2 PRO 95 -10.928 4.339 1.377 782 2HG PRO 95 HG3 PRO 95 -9.579 4.864 2.398 783 1HD PRO 95 HD2 PRO 95 -12.214 3.739 3.179 784 2HD PRO 95 HD3 PRO 95 -10.645 3.626 3.996 785 H PHE 96 H PHE 96 -13.785 6.411 4.006 786 HA PHE 96 HA PHE 96 -14.576 9.095 3.356 787 1HB PHE 96 HB2 PHE 96 -16.023 7.288 2.702 788 2HB PHE 96 HB3 PHE 96 -16.131 6.710 4.361 789 HD1 PHE 96 HD1 PHE 96 -17.703 7.597 5.867 790 HD2 PHE 96 HD2 PHE 96 -17.091 9.454 2.088 791 HE1 PHE 96 HE1 PHE 96 -19.709 8.977 6.227 792 HE2 PHE 96 HE2 PHE 96 -19.095 10.839 2.440 793 HZ PHE 96 HZ PHE 96 -20.407 10.602 4.512 794 H GLU 97 H GLU 97 -15.094 7.123 6.297 795 HA GLU 97 HA GLU 97 -15.841 9.395 7.856 796 1HB GLU 97 HB2 GLU 97 -16.243 7.900 9.594 797 2HB GLU 97 HB3 GLU 97 -16.489 6.902 8.168 798 1HG GLU 97 HG2 GLU 97 -15.241 5.517 9.484 799 2HG GLU 97 HG3 GLU 97 -13.990 6.281 8.504 800 H GLY 98 H GLY 98 -12.893 7.515 7.509 801 1HA GLY 98 HA3 GLY 98 -11.534 9.301 9.414 802 2HA GLY 98 HA2 GLY 98 -10.859 9.052 7.807 803 H ILE 99 H ILE 99 -9.370 8.460 10.029 804 HA ILE 99 HA ILE 99 -9.304 5.526 9.887 805 HB ILE 99 HB ILE 99 -6.928 7.207 10.577 806 1HG1 ILE 99 2HG1 ILE 99 -7.715 6.359 7.784 807 2HG1 ILE 99 3HG1 ILE 99 -7.946 7.988 8.407 808 1HG2 ILE 99 1HG2 ILE 99 -7.518 4.398 9.966 809 2HG2 ILE 99 3HG2 ILE 99 -6.093 5.042 9.145 810 3HG2 ILE 99 2HG2 ILE 99 -6.198 5.101 10.906 811 1HD1 ILE 99 3HD1 ILE 99 -5.530 8.202 8.720 812 2HD1 ILE 99 2HD1 ILE 99 -5.306 6.574 8.079 813 3HD1 ILE 99 1HD1 ILE 99 -5.946 7.849 7.043 814 H LYS 100 H LYS 100 -9.350 4.354 11.683 815 HA LYS 100 HA LYS 100 -9.200 5.763 14.266 816 1HB LYS 100 HB2 LYS 100 -10.798 3.259 13.983 817 2HB LYS 100 HB3 LYS 100 -11.038 4.622 15.066 818 1HG LYS 100 HG2 LYS 100 -11.865 5.972 13.222 819 2HG LYS 100 HG3 LYS 100 -11.605 4.624 12.112 820 1HD LYS 100 HD2 LYS 100 -13.532 3.663 12.694 821 2HD LYS 100 HD3 LYS 100 -13.173 3.831 14.416 822 1HE LYS 100 HE2 LYS 100 -13.877 6.214 14.255 823 2HE LYS 100 HE3 LYS 100 -14.395 5.903 12.597 824 1HZ LYS 100 HZ2 LYS 100 -15.450 4.545 15.020 825 2HZ LYS 100 HZ1 LYS 100 -16.244 5.749 14.138 826 3HZ LYS 100 HZ3 LYS 100 -15.941 4.243 13.431 827 HA PRO 101 HA PRO 101 -6.069 2.928 15.535 828 1HB PRO 101 HB2 PRO 101 -7.298 2.724 18.193 829 2HB PRO 101 HB3 PRO 101 -5.752 3.435 17.725 830 1HG PRO 101 HG2 PRO 101 -7.828 4.949 18.517 831 2HG PRO 101 HG3 PRO 101 -6.684 5.498 17.277 832 1HD PRO 101 HD2 PRO 101 -9.434 4.345 16.946 833 2HD PRO 101 HD3 PRO 101 -8.677 5.717 16.106 834 H GLU 102 H GLU 102 -9.247 2.037 16.869 835 HA GLU 102 HA GLU 102 -8.772 -0.631 17.386 836 1HB GLU 102 HB2 GLU 102 -11.238 -0.931 17.113 837 2HB GLU 102 HB3 GLU 102 -10.769 0.386 18.182 838 1HG GLU 102 HG2 GLU 102 -11.133 1.976 16.382 839 2HG GLU 102 HG3 GLU 102 -11.607 0.659 15.315 840 H ASN 103 H ASN 103 -8.974 0.898 14.348 841 HA ASN 103 HA ASN 103 -9.965 -1.210 12.764 842 1HB ASN 103 HB2 ASN 103 -8.047 1.003 12.018 843 2HB ASN 103 HB3 ASN 103 -8.917 -0.019 10.879 844 1HD2 ASN 103 1HD2 ASN 103 -11.290 -0.020 12.684 845 2HD2 ASN 103 2HD2 ASN 103 -12.044 1.511 12.424 846 H GLU 104 H GLU 104 -8.785 -2.581 11.271 847 HA GLU 104 HA GLU 104 -6.826 -4.124 12.478 848 1HB GLU 104 HB2 GLU 104 -8.202 -4.018 9.941 849 2HB GLU 104 HB3 GLU 104 -6.531 -4.507 9.738 850 1HG GLU 104 HG2 GLU 104 -7.688 -6.501 10.039 851 2HG GLU 104 HG3 GLU 104 -6.971 -6.171 11.612 852 H ARG 105 H ARG 105 -4.630 -4.524 11.757 853 HA ARG 105 HA ARG 105 -3.277 -2.117 10.730 854 1HB ARG 105 HB2 ARG 105 -3.093 -2.315 13.218 855 2HB ARG 105 HB3 ARG 105 -2.297 -3.862 12.997 856 1HG ARG 105 HG2 ARG 105 -0.465 -2.541 13.257 857 2HG ARG 105 HG3 ARG 105 -0.672 -2.415 11.506 858 1HD ARG 105 HD2 ARG 105 -0.313 -0.223 12.526 859 2HD ARG 105 HD3 ARG 105 -1.901 -0.344 11.764 860 HE ARG 105 HE ARG 105 -2.270 -1.059 14.396 861 1HH1 ARG 105 1HH1 ARG 105 -1.136 1.750 12.672 862 2HH1 ARG 105 2HH1 ARG 105 -1.682 2.869 13.875 863 1HH2 ARG 105 1HH2 ARG 105 -2.992 0.409 15.986 864 2HH2 ARG 105 2HH2 ARG 105 -2.736 2.107 15.760 865 H TYR 106 H TYR 106 -1.091 -2.552 9.924 866 HA TYR 106 HA TYR 106 -0.036 -5.123 9.546 867 1HB TYR 106 HB2 TYR 106 -1.967 -5.329 7.994 868 2HB TYR 106 HB3 TYR 106 -1.332 -3.968 7.066 869 HD1 TYR 106 HD1 TYR 106 -0.799 -7.471 8.033 870 HD2 TYR 106 HD2 TYR 106 0.526 -4.274 5.562 871 HE1 TYR 106 HE1 TYR 106 0.549 -9.050 6.727 872 HE2 TYR 106 HE2 TYR 106 1.882 -5.846 4.246 873 HH TYR 106 HH TYR 106 1.539 -9.215 4.483 874 H THR 107 H THR 107 1.498 -3.595 10.486 875 HA THR 107 HA THR 107 2.722 -1.733 8.596 876 HB THR 107 HB THR 107 3.899 -1.978 11.285 877 HG1 THR 107 HG1 THR 107 1.653 -0.503 11.519 878 1HG2 THR 107 2HG2 THR 107 4.260 -0.190 9.456 879 2HG2 THR 107 1HG2 THR 107 2.724 0.470 10.011 880 3HG2 THR 107 3HG2 THR 107 4.083 0.343 11.128 881 H LEU 108 H LEU 108 3.915 -3.001 7.208 882 HA LEU 108 HA LEU 108 5.614 -5.104 8.161 883 1HB LEU 108 HB2 LEU 108 4.707 -5.346 5.972 884 2HB LEU 108 HB3 LEU 108 5.299 -3.777 5.478 885 HG LEU 108 HG LEU 108 7.581 -4.572 5.475 886 1HD1 LEU 108 2HD1 LEU 108 6.450 -7.191 6.447 887 2HD1 LEU 108 1HD1 LEU 108 8.121 -6.911 5.955 888 3HD1 LEU 108 3HD1 LEU 108 7.468 -6.085 7.372 889 1HD2 LEU 108 3HD2 LEU 108 6.266 -4.937 3.460 890 2HD2 LEU 108 2HD2 LEU 108 7.443 -6.231 3.692 891 3HD2 LEU 108 1HD2 LEU 108 5.743 -6.506 4.075 892 H HIS 109 H HIS 109 7.072 -4.266 9.601 893 HA HIS 109 HA HIS 109 8.654 -1.954 8.979 894 1HB HIS 109 HB2 HIS 109 8.589 -3.905 11.238 895 2HB HIS 109 HB3 HIS 109 9.932 -2.784 11.072 896 HD1 HIS 109 HD1 HIS 109 9.540 -0.390 11.780 897 HD2 HIS 109 HD2 HIS 109 6.063 -2.665 11.742 898 HE1 HIS 109 HE1 HIS 109 7.787 1.044 12.874 899 HE2 HIS 109 HE2 HIS 109 5.709 -0.382 12.907 900 H LEU 110 H LEU 110 10.811 -1.861 8.509 901 HA LEU 110 HA LEU 110 12.248 -4.305 7.856 902 1HB LEU 110 HB2 LEU 110 11.782 -2.102 5.845 903 2HB LEU 110 HB3 LEU 110 12.813 -3.495 5.602 904 HG LEU 110 HG LEU 110 9.819 -3.619 6.009 905 1HD1 LEU 110 2HD1 LEU 110 11.457 -3.830 3.486 906 2HD1 LEU 110 1HD1 LEU 110 9.724 -4.132 3.613 907 3HD1 LEU 110 3HD1 LEU 110 10.363 -2.515 3.915 908 1HD2 LEU 110 1HD2 LEU 110 11.197 -5.619 6.696 909 2HD2 LEU 110 3HD2 LEU 110 9.965 -5.914 5.471 910 3HD2 LEU 110 2HD2 LEU 110 11.657 -5.774 5.000 911 H ASN 111 H ASN 111 14.116 -4.045 8.920 912 HA ASN 111 HA ASN 111 15.236 -1.415 9.361 913 1HB ASN 111 HB2 ASN 111 15.330 -3.138 11.136 914 2HB ASN 111 HB3 ASN 111 16.329 -4.145 10.094 915 1HD2 ASN 111 1HD2 ASN 111 18.039 -4.157 11.525 916 2HD2 ASN 111 2HD2 ASN 111 19.032 -2.770 11.798 917 H VAL 112 H VAL 112 15.269 -1.260 6.921 918 HA VAL 112 HA VAL 112 16.846 -2.646 5.186 919 HB VAL 112 HB VAL 112 16.934 0.335 5.001 920 1HG1 VAL 112 1HG1 VAL 112 17.887 -1.109 3.245 921 2HG1 VAL 112 3HG1 VAL 112 16.289 -1.817 2.997 922 3HG1 VAL 112 2HG1 VAL 112 16.559 -0.106 2.656 923 1HG2 VAL 112 3HG2 VAL 112 14.444 -1.342 4.814 924 2HG2 VAL 112 2HG2 VAL 112 14.719 0.098 5.793 925 3HG2 VAL 112 1HG2 VAL 112 14.599 0.234 4.040 926 H LYS 113 H LYS 113 18.958 -2.992 4.903 927 HA LYS 113 HA LYS 113 20.861 -2.094 6.798 928 1HB LYS 113 HB2 LYS 113 21.250 -3.442 4.120 929 2HB LYS 113 HB3 LYS 113 22.512 -3.216 5.322 930 1HG LYS 113 HG2 LYS 113 19.986 -4.780 5.790 931 2HG LYS 113 HG3 LYS 113 21.533 -5.485 5.317 932 1HD LYS 113 HD2 LYS 113 22.561 -4.577 7.351 933 2HD LYS 113 HD3 LYS 113 21.002 -3.900 7.828 934 1HE LYS 113 HE2 LYS 113 21.425 -5.992 8.992 935 2HE LYS 113 HE3 LYS 113 20.046 -6.145 7.904 936 1HZ LYS 113 HZ2 LYS 113 21.483 -7.230 6.293 937 2HZ LYS 113 HZ1 LYS 113 22.806 -7.083 7.336 938 3HZ LYS 113 HZ3 LYS 113 21.497 -8.067 7.763 No H/Q in entry = 938 Start of MODEL 15 1 H1 GLY -2 HT1 GLY -2 -7.153 -5.893 30.105 2 H2 GLY -2 HT3 GLY -2 -5.496 -5.852 29.760 3 H3 GLY -2 HT2 GLY -2 -6.545 -4.757 29.009 4 1HA GLY -2 HA2 GLY -2 -5.925 -6.504 27.472 5 2HA GLY -2 HA3 GLY -2 -7.644 -6.547 27.831 6 H SER -1 H SER -1 -8.516 -8.352 28.698 7 HA SER -1 HA SER -1 -6.753 -10.656 28.966 8 1HB SER -1 HB2 SER -1 -7.767 -11.323 31.119 9 2HB SER -1 HB3 SER -1 -6.902 -9.793 31.252 10 HG SER -1 HG SER -1 -9.686 -10.246 31.167 11 H HIS 0 H HIS 0 -9.615 -9.243 27.977 12 HA HIS 0 HA HIS 0 -10.645 -11.817 27.087 13 1HB HIS 0 HB2 HIS 0 -11.780 -11.392 29.243 14 2HB HIS 0 HB3 HIS 0 -12.363 -9.853 28.620 15 HD1 HIS 0 HD1 HIS 0 -12.913 -13.542 28.353 16 HD2 HIS 0 HD2 HIS 0 -14.527 -10.017 26.859 17 HE1 HIS 0 HE1 HIS 0 -15.084 -14.203 27.269 18 HE2 HIS 0 HE2 HIS 0 -16.001 -12.066 26.298 19 H MET 1 H MET 1 -11.105 -11.663 24.999 20 HA MET 1 HA MET 1 -11.083 -9.177 23.627 21 1HB MET 1 HB2 MET 1 -11.884 -11.941 22.704 22 2HB MET 1 HB3 MET 1 -11.735 -10.549 21.640 23 1HG MET 1 HG2 MET 1 -9.749 -11.817 21.434 24 2HG MET 1 HG3 MET 1 -9.350 -10.361 22.342 25 1HE MET 1 HE3 MET 1 -7.061 -11.465 23.109 26 2HE MET 1 HE2 MET 1 -6.951 -13.041 23.895 27 3HE MET 1 HE1 MET 1 -7.456 -12.929 22.209 28 H ILE 2 H ILE 2 -12.701 -7.913 22.895 29 HA ILE 2 HA ILE 2 -15.328 -8.318 24.018 30 HB ILE 2 HB ILE 2 -14.318 -6.077 23.975 31 1HG1 ILE 2 2HG1 ILE 2 -16.775 -6.231 22.213 32 2HG1 ILE 2 3HG1 ILE 2 -16.795 -6.380 23.969 33 1HG2 ILE 2 3HG2 ILE 2 -13.082 -6.270 21.886 34 2HG2 ILE 2 2HG2 ILE 2 -14.596 -6.293 20.979 35 3HG2 ILE 2 1HG2 ILE 2 -14.123 -4.846 21.869 36 1HD1 ILE 2 2HD1 ILE 2 -15.917 -4.110 24.165 37 2HD1 ILE 2 1HD1 ILE 2 -15.916 -3.963 22.408 38 3HD1 ILE 2 3HD1 ILE 2 -17.440 -4.153 23.275 39 H ALA 3 H ALA 3 -13.761 -9.037 21.077 40 HA ALA 3 HA ALA 3 -16.096 -10.249 19.990 41 1HB ALA 3 HB2 ALA 3 -15.082 -7.805 18.543 42 2HB ALA 3 HB1 ALA 3 -16.336 -8.908 17.975 43 3HB ALA 3 HB3 ALA 3 -16.609 -7.928 19.416 44 HA PRO 4 HA PRO 4 -12.203 -10.562 16.894 45 1HB PRO 4 HB2 PRO 4 -10.208 -9.997 19.043 46 2HB PRO 4 HB3 PRO 4 -10.117 -9.669 17.309 47 1HG PRO 4 HG2 PRO 4 -10.626 -7.706 19.028 48 2HG PRO 4 HG3 PRO 4 -11.462 -7.780 17.466 49 1HD PRO 4 HD2 PRO 4 -12.473 -8.437 20.191 50 2HD PRO 4 HD3 PRO 4 -13.329 -7.727 18.809 51 H LEU 5 H LEU 5 -12.164 -12.700 16.677 52 HA LEU 5 HA LEU 5 -11.975 -14.425 19.002 53 1HB LEU 5 HB2 LEU 5 -13.605 -14.913 17.236 54 2HB LEU 5 HB3 LEU 5 -12.305 -15.082 16.073 55 HG LEU 5 HG LEU 5 -11.461 -17.041 17.310 56 1HD1 LEU 5 2HD1 LEU 5 -13.901 -16.624 19.033 57 2HD1 LEU 5 1HD1 LEU 5 -12.850 -18.041 19.071 58 3HD1 LEU 5 3HD1 LEU 5 -12.219 -16.463 19.539 59 1HD2 LEU 5 3HD2 LEU 5 -13.015 -17.358 15.462 60 2HD2 LEU 5 2HD2 LEU 5 -13.271 -18.572 16.714 61 3HD2 LEU 5 1HD2 LEU 5 -14.379 -17.207 16.570 62 H SER 6 H SER 6 -10.357 -14.507 15.822 63 HA SER 6 HA SER 6 -8.057 -15.809 17.023 64 1HB SER 6 HB2 SER 6 -8.911 -16.614 14.858 65 2HB SER 6 HB3 SER 6 -8.587 -15.036 14.143 66 HG SER 6 HG SER 6 -6.789 -17.021 14.974 67 H VAL 7 H VAL 7 -5.847 -15.014 16.096 68 HA VAL 7 HA VAL 7 -5.551 -12.278 16.988 69 HB VAL 7 HB VAL 7 -3.942 -14.016 17.689 70 1HG1 VAL 7 1HG1 VAL 7 -3.905 -15.344 15.648 71 2HG1 VAL 7 3HG1 VAL 7 -3.107 -14.024 14.792 72 3HG1 VAL 7 2HG1 VAL 7 -2.275 -14.853 16.107 73 1HG2 VAL 7 2HG2 VAL 7 -2.779 -11.771 16.048 74 2HG2 VAL 7 1HG2 VAL 7 -3.246 -11.708 17.748 75 3HG2 VAL 7 3HG2 VAL 7 -1.890 -12.716 17.241 76 H LYS 8 H LYS 8 -4.982 -10.533 15.773 77 HA LYS 8 HA LYS 8 -5.047 -10.904 12.857 78 1HB LYS 8 HB2 LYS 8 -5.789 -8.588 14.623 79 2HB LYS 8 HB3 LYS 8 -5.487 -8.377 12.909 80 1HG LYS 8 HG2 LYS 8 -7.855 -8.594 13.306 81 2HG LYS 8 HG3 LYS 8 -7.269 -9.998 12.411 82 1HD LYS 8 HD2 LYS 8 -7.180 -11.279 14.502 83 2HD LYS 8 HD3 LYS 8 -7.798 -9.878 15.380 84 1HE LYS 8 HE2 LYS 8 -9.582 -11.471 14.909 85 2HE LYS 8 HE3 LYS 8 -9.851 -9.948 14.062 86 1HZ LYS 8 HZ2 LYS 8 -8.977 -10.959 12.047 87 2HZ LYS 8 HZ1 LYS 8 -8.722 -12.419 12.861 88 3HZ LYS 8 HZ3 LYS 8 -10.296 -11.841 12.634 89 H ASP 9 H ASP 9 -2.726 -11.251 14.586 90 HA ASP 9 HA ASP 9 -0.857 -9.359 14.821 91 1HB ASP 9 HB2 ASP 9 -0.463 -11.790 15.186 92 2HB ASP 9 HB3 ASP 9 -0.300 -11.992 13.444 93 H ASN 10 H ASN 10 -0.065 -7.789 13.605 94 HA ASN 10 HA ASN 10 -0.115 -8.110 10.686 95 1HB ASN 10 HB2 ASN 10 -0.074 -5.415 11.057 96 2HB ASN 10 HB3 ASN 10 -1.528 -6.370 10.789 97 1HD2 ASN 10 1HD2 ASN 10 0.356 -4.570 13.046 98 2HD2 ASN 10 2HD2 ASN 10 -0.794 -4.564 14.336 99 H ASP 11 H ASP 11 1.271 -5.449 12.422 100 HA ASP 11 HA ASP 11 3.481 -4.947 11.091 101 1HB ASP 11 HB2 ASP 11 4.573 -4.450 13.405 102 2HB ASP 11 HB3 ASP 11 3.149 -3.550 12.898 103 H LYS 12 H LYS 12 4.613 -6.498 10.111 104 HA LYS 12 HA LYS 12 5.775 -8.665 11.676 105 1HB LYS 12 HB2 LYS 12 6.554 -9.495 9.442 106 2HB LYS 12 HB3 LYS 12 4.809 -9.364 9.612 107 1HG LYS 12 HG2 LYS 12 4.761 -7.362 8.312 108 2HG LYS 12 HG3 LYS 12 6.524 -7.286 8.283 109 1HD LYS 12 HD2 LYS 12 4.919 -9.557 7.115 110 2HD LYS 12 HD3 LYS 12 5.473 -8.165 6.182 111 1HE LYS 12 HE2 LYS 12 7.793 -8.711 6.764 112 2HE LYS 12 HE3 LYS 12 7.229 -10.112 7.675 113 1HZ LYS 12 HZ2 LYS 12 6.320 -11.024 5.623 114 2HZ LYS 12 HZ1 LYS 12 6.889 -9.689 4.755 115 3HZ LYS 12 HZ3 LYS 12 7.984 -10.754 5.483 116 H TRP 13 H TRP 13 7.065 -7.085 12.844 117 HA TRP 13 HA TRP 13 9.016 -5.425 11.896 118 1HB TRP 13 HB2 TRP 13 9.520 -7.124 14.313 119 2HB TRP 13 HB3 TRP 13 9.852 -5.414 14.066 120 HD1 TRP 13 HD1 TRP 13 6.935 -7.796 14.840 121 HE1 TRP 13 HE1 TRP 13 5.004 -6.443 15.866 122 HE3 TRP 13 HE3 TRP 13 8.888 -3.093 14.358 123 HZ2 TRP 13 HZ2 TRP 13 4.372 -3.738 16.393 124 HZ3 TRP 13 HZ3 TRP 13 7.562 -1.183 15.162 125 HH2 TRP 13 HH2 TRP 13 5.360 -1.500 16.164 126 H VAL 14 H VAL 14 10.391 -5.953 10.262 127 HA VAL 14 HA VAL 14 12.263 -8.155 10.785 128 HB VAL 14 HB VAL 14 12.025 -9.085 8.521 129 1HG1 VAL 14 3HG1 VAL 14 10.879 -10.158 10.380 130 2HG1 VAL 14 2HG1 VAL 14 9.476 -9.118 10.131 131 3HG1 VAL 14 1HG1 VAL 14 9.931 -10.295 8.899 132 1HG2 VAL 14 3HG2 VAL 14 9.662 -7.223 8.335 133 2HG2 VAL 14 2HG2 VAL 14 11.121 -7.197 7.344 134 3HG2 VAL 14 1HG2 VAL 14 9.990 -8.544 7.212 135 H ASP 15 H ASP 15 13.696 -8.319 8.633 136 HA ASP 15 HA ASP 15 14.760 -5.609 8.197 137 1HB ASP 15 HB2 ASP 15 16.018 -8.298 8.536 138 2HB ASP 15 HB3 ASP 15 16.862 -7.081 7.581 139 H THR 16 H THR 16 16.261 -5.721 6.062 140 HA THR 16 HA THR 16 15.433 -7.345 3.918 141 HB THR 16 HB THR 16 13.342 -5.918 4.355 142 HG1 THR 16 HG1 THR 16 13.955 -7.108 2.351 143 1HG2 THR 16 3HG2 THR 16 14.524 -3.771 4.606 144 2HG2 THR 16 2HG2 THR 16 15.012 -3.863 2.913 145 3HG2 THR 16 1HG2 THR 16 13.304 -3.719 3.332 146 H HIS 17 H HIS 17 15.771 -5.895 1.722 147 HA HIS 17 HA HIS 17 18.360 -4.533 2.073 148 1HB HIS 17 HB2 HIS 17 17.466 -6.196 -0.293 149 2HB HIS 17 HB3 HIS 17 19.026 -5.399 -0.114 150 HD1 HIS 17 HD1 HIS 17 17.126 -8.417 0.926 151 HD2 HIS 17 HD2 HIS 17 20.807 -6.647 1.692 152 HE1 HIS 17 HE1 HIS 17 18.489 -10.179 2.094 153 HE2 HIS 17 HE2 HIS 17 20.685 -9.060 2.616 154 H VAL 18 H VAL 18 18.663 -3.552 -0.506 155 HA VAL 18 HA VAL 18 16.759 -1.371 -0.433 156 HB VAL 18 HB VAL 18 19.044 -1.772 -2.364 157 1HG1 VAL 18 1HG1 VAL 18 17.476 0.679 -1.567 158 2HG1 VAL 18 3HG1 VAL 18 18.897 0.677 -2.612 159 3HG1 VAL 18 2HG1 VAL 18 17.422 -0.143 -3.126 160 1HG2 VAL 18 1HG2 VAL 18 19.873 -1.805 -0.076 161 2HG2 VAL 18 3HG2 VAL 18 20.336 -0.307 -0.883 162 3HG2 VAL 18 2HG2 VAL 18 19.006 -0.310 0.274 163 H GLY 19 H GLY 19 15.263 -0.846 -1.905 164 1HA GLY 19 HA3 GLY 19 15.008 -1.757 -4.526 165 2HA GLY 19 HA2 GLY 19 13.708 -1.109 -3.549 166 H LYS 20 H LYS 20 14.479 -3.545 -1.675 167 HA LYS 20 HA LYS 20 13.748 -5.873 -3.040 168 1HB LYS 20 HB2 LYS 20 14.582 -5.352 -0.528 169 2HB LYS 20 HB3 LYS 20 12.878 -5.610 -0.219 170 1HG LYS 20 HG2 LYS 20 13.767 -7.710 0.076 171 2HG LYS 20 HG3 LYS 20 13.191 -7.769 -1.595 172 1HD LYS 20 HD2 LYS 20 15.345 -7.509 -2.465 173 2HD LYS 20 HD3 LYS 20 15.974 -6.927 -0.925 174 1HE LYS 20 HE2 LYS 20 15.660 -9.160 0.040 175 2HE LYS 20 HE3 LYS 20 15.034 -9.736 -1.504 176 1HZ LYS 20 HZ2 LYS 20 17.175 -9.249 -2.514 177 2HZ LYS 20 HZ1 LYS 20 17.776 -8.695 -1.033 178 3HZ LYS 20 HZ3 LYS 20 17.357 -10.324 -1.219 179 H THR 21 H THR 21 12.050 -5.207 -4.430 180 HA THR 21 HA THR 21 9.658 -4.020 -3.702 181 HB THR 21 HB THR 21 9.783 -6.159 -5.813 182 HG1 THR 21 HG1 THR 21 10.619 -4.528 -7.199 183 1HG2 THR 21 1HG2 THR 21 7.608 -5.113 -5.347 184 2HG2 THR 21 3HG2 THR 21 8.311 -3.523 -5.640 185 3HG2 THR 21 2HG2 THR 21 8.196 -4.692 -6.956 186 H THR 22 H THR 22 8.659 -4.726 -1.892 187 HA THR 22 HA THR 22 8.049 -7.571 -1.621 188 HB THR 22 HB THR 22 7.613 -5.275 0.304 189 HG1 THR 22 HG1 THR 22 9.784 -6.641 -0.279 190 1HG2 THR 22 2HG2 THR 22 5.933 -7.026 0.625 191 2HG2 THR 22 1HG2 THR 22 7.209 -8.241 0.712 192 3HG2 THR 22 3HG2 THR 22 7.085 -7.003 1.962 193 H GLU 23 H GLU 23 6.411 -8.082 -2.915 194 HA GLU 23 HA GLU 23 4.099 -6.397 -3.212 195 1HB GLU 23 HB2 GLU 23 5.079 -7.748 -5.067 196 2HB GLU 23 HB3 GLU 23 4.593 -9.203 -4.208 197 1HG GLU 23 HG2 GLU 23 2.291 -8.677 -4.443 198 2HG GLU 23 HG3 GLU 23 2.670 -7.061 -5.043 199 H ILE 24 H ILE 24 2.255 -6.560 -2.111 200 HA ILE 24 HA ILE 24 1.735 -9.012 -0.596 201 HB ILE 24 HB ILE 24 1.429 -6.240 0.523 202 1HG1 ILE 24 2HG1 ILE 24 3.441 -8.404 1.150 203 2HG1 ILE 24 3HG1 ILE 24 3.783 -6.883 0.338 204 1HG2 ILE 24 2HG2 ILE 24 -0.245 -7.829 1.335 205 2HG2 ILE 24 1HG2 ILE 24 1.041 -8.938 1.813 206 3HG2 ILE 24 3HG2 ILE 24 0.882 -7.374 2.613 207 1HD1 ILE 24 3HD1 ILE 24 2.835 -7.173 3.175 208 2HD1 ILE 24 2HD1 ILE 24 4.488 -6.839 2.661 209 3HD1 ILE 24 1HD1 ILE 24 3.214 -5.659 2.355 210 H HIS 25 H HIS 25 0.025 -9.707 -1.749 211 HA HIS 25 HA HIS 25 -2.120 -7.942 -2.505 212 1HB HIS 25 HB2 HIS 25 -2.307 -10.938 -2.544 213 2HB HIS 25 HB3 HIS 25 -3.051 -9.771 -3.624 214 HD1 HIS 25 HD1 HIS 25 -0.464 -12.179 -3.614 215 HD2 HIS 25 HD2 HIS 25 -0.867 -8.361 -5.199 216 HE1 HIS 25 HE1 HIS 25 1.271 -12.019 -5.427 217 HE2 HIS 25 HE2 HIS 25 0.926 -9.742 -6.450 218 H LEU 26 H LEU 26 -3.449 -7.235 -0.984 219 HA LEU 26 HA LEU 26 -4.069 -8.976 1.301 220 1HB LEU 26 HB2 LEU 26 -4.471 -6.005 1.010 221 2HB LEU 26 HB3 LEU 26 -4.742 -6.942 2.465 222 HG LEU 26 HG LEU 26 -2.022 -6.773 1.186 223 1HD1 LEU 26 3HD1 LEU 26 -3.183 -4.922 3.263 224 2HD1 LEU 26 2HD1 LEU 26 -1.497 -4.966 2.746 225 3HD1 LEU 26 1HD1 LEU 26 -2.758 -4.490 1.607 226 1HD2 LEU 26 1HD2 LEU 26 -2.543 -8.534 2.897 227 2HD2 LEU 26 3HD2 LEU 26 -1.223 -7.445 3.325 228 3HD2 LEU 26 2HD2 LEU 26 -2.814 -7.231 4.057 229 H LYS 27 H LYS 27 -6.245 -9.149 2.013 230 HA LYS 27 HA LYS 27 -8.178 -8.667 -0.150 231 1HB LYS 27 HB2 LYS 27 -8.609 -10.589 2.116 232 2HB LYS 27 HB3 LYS 27 -9.404 -10.545 0.551 233 1HG LYS 27 HG2 LYS 27 -7.192 -11.125 -0.486 234 2HG LYS 27 HG3 LYS 27 -6.586 -11.403 1.150 235 1HD LYS 27 HD2 LYS 27 -8.305 -13.100 1.510 236 2HD LYS 27 HD3 LYS 27 -8.930 -12.819 -0.117 237 1HE LYS 27 HE2 LYS 27 -6.780 -13.525 -1.057 238 2HE LYS 27 HE3 LYS 27 -6.167 -13.817 0.570 239 1HZ LYS 27 HZ1 LYS 27 -7.873 -15.502 0.872 240 2HZ LYS 27 HZ3 LYS 27 -8.459 -15.223 -0.692 241 3HZ LYS 27 HZ2 LYS 27 -6.908 -15.862 -0.471 242 H GLY 28 H GLY 28 -10.382 -8.163 0.509 243 1HA GLY 28 HA3 GLY 28 -10.446 -5.915 2.202 244 2HA GLY 28 HA2 GLY 28 -11.093 -7.295 3.071 245 H ASN 29 H ASN 29 -11.363 -6.600 -0.370 246 HA ASN 29 HA ASN 29 -13.148 -6.378 -1.755 247 1HB ASN 29 HB2 ASN 29 -13.929 -8.437 -0.533 248 2HB ASN 29 HB3 ASN 29 -14.854 -7.378 0.530 249 1HD2 ASN 29 1HD2 ASN 29 -16.607 -6.217 -0.323 250 2HD2 ASN 29 2HD2 ASN 29 -17.380 -6.703 -1.789 251 HA PRO 30 HA PRO 30 -14.089 -2.156 -0.411 252 1HB PRO 30 HB2 PRO 30 -15.314 -2.181 -3.127 253 2HB PRO 30 HB3 PRO 30 -14.223 -0.999 -2.396 254 1HG PRO 30 HG2 PRO 30 -13.317 -2.706 -4.210 255 2HG PRO 30 HG3 PRO 30 -12.345 -2.309 -2.781 256 1HD PRO 30 HD2 PRO 30 -13.971 -4.757 -3.347 257 2HD PRO 30 HD3 PRO 30 -12.383 -4.615 -2.565 258 H THR 31 H THR 31 -16.158 -0.787 -0.697 259 HA THR 31 HA THR 31 -18.271 -0.484 0.087 260 HB THR 31 HB THR 31 -19.964 -1.356 -1.275 261 HG1 THR 31 HG1 THR 31 -19.861 -3.501 -1.341 262 1HG2 THR 31 1HG2 THR 31 -17.436 -1.380 -2.920 263 2HG2 THR 31 3HG2 THR 31 -19.072 -1.210 -3.556 264 3HG2 THR 31 2HG2 THR 31 -18.396 0.042 -2.514 265 H THR 32 H THR 32 -16.602 -2.515 1.526 266 HA THR 32 HA THR 32 -18.798 -4.066 2.734 267 HB THR 32 HB THR 32 -15.867 -4.784 2.578 268 HG1 THR 32 HG1 THR 32 -17.200 -6.693 1.545 269 1HG2 THR 32 3HG2 THR 32 -18.162 -6.256 3.876 270 2HG2 THR 32 2HG2 THR 32 -16.530 -6.891 3.661 271 3HG2 THR 32 1HG2 THR 32 -16.804 -5.499 4.709 272 H GLY 33 H GLY 33 -15.549 -2.832 3.575 273 1HA GLY 33 HA3 GLY 33 -15.315 -2.819 6.156 274 2HA GLY 33 HA2 GLY 33 -16.699 -1.743 6.051 275 H TYR 34 H TYR 34 -13.312 -2.005 5.910 276 HA TYR 34 HA TYR 34 -13.119 0.872 5.334 277 1HB TYR 34 HB2 TYR 34 -11.176 -0.929 6.796 278 2HB TYR 34 HB3 TYR 34 -10.974 0.798 6.541 279 HD1 TYR 34 HD1 TYR 34 -13.741 -1.388 7.821 280 HD2 TYR 34 HD2 TYR 34 -11.274 2.025 8.461 281 HE1 TYR 34 HE1 TYR 34 -14.912 -0.943 9.936 282 HE2 TYR 34 HE2 TYR 34 -12.444 2.475 10.577 283 HH TYR 34 HH TYR 34 -14.611 1.980 11.627 284 H MET 35 H MET 35 -10.435 1.067 4.833 285 HA MET 35 HA MET 35 -10.070 -0.401 2.328 286 1HB MET 35 HB2 MET 35 -10.398 1.817 1.680 287 2HB MET 35 HB3 MET 35 -9.583 2.455 3.101 288 1HG MET 35 HG2 MET 35 -7.462 1.473 2.140 289 2HG MET 35 HG3 MET 35 -8.370 1.246 0.659 290 1HE MET 35 HE2 MET 35 -6.266 2.673 -0.338 291 2HE MET 35 HE1 MET 35 -7.780 2.922 -1.205 292 3HE MET 35 HE3 MET 35 -6.748 4.299 -0.823 293 H TRP 36 H TRP 36 -7.944 -0.992 1.807 294 HA TRP 36 HA TRP 36 -6.134 -1.093 4.120 295 1HB TRP 36 HB2 TRP 36 -6.802 -3.004 1.977 296 2HB TRP 36 HB3 TRP 36 -5.104 -2.902 2.400 297 HD1 TRP 36 HD1 TRP 36 -8.116 -4.729 3.323 298 HE1 TRP 36 HE1 TRP 36 -7.869 -5.834 5.636 299 HE3 TRP 36 HE3 TRP 36 -3.968 -2.240 4.969 300 HZ2 TRP 36 HZ2 TRP 36 -6.140 -5.668 7.866 301 HZ3 TRP 36 HZ3 TRP 36 -3.081 -2.768 7.192 302 HH2 TRP 36 HH2 TRP 36 -4.145 -4.446 8.615 303 H THR 37 H THR 37 -5.146 0.883 3.804 304 HA THR 37 HA THR 37 -3.332 0.984 1.490 305 HB THR 37 HB THR 37 -5.299 2.469 1.079 306 HG1 THR 37 HG1 THR 37 -3.996 4.215 0.441 307 1HG2 THR 37 2HG2 THR 37 -4.227 3.897 3.516 308 2HG2 THR 37 1HG2 THR 37 -5.406 4.580 2.395 309 3HG2 THR 37 3HG2 THR 37 -5.812 3.145 3.337 310 H ARG 38 H ARG 38 -2.023 3.376 2.114 311 HA ARG 38 HA ARG 38 -0.610 2.569 4.524 312 1HB ARG 38 HB2 ARG 38 0.042 4.215 2.155 313 2HB ARG 38 HB3 ARG 38 0.774 4.718 3.664 314 1HG ARG 38 HG2 ARG 38 1.870 2.660 3.937 315 2HG ARG 38 HG3 ARG 38 0.976 1.938 2.596 316 1HD ARG 38 HD2 ARG 38 3.342 2.679 2.120 317 2HD ARG 38 HD3 ARG 38 2.123 3.222 1.002 318 HE ARG 38 HE ARG 38 2.298 5.405 1.990 319 1HH1 ARG 38 1HH1 ARG 38 4.701 3.101 3.017 320 2HH1 ARG 38 2HH1 ARG 38 5.853 4.309 3.480 321 1HH2 ARG 38 1HH2 ARG 38 3.825 7.007 2.582 322 2HH2 ARG 38 2HH2 ARG 38 5.354 6.526 3.237 323 H VAL 39 H VAL 39 -0.245 3.917 6.301 324 HA VAL 39 HA VAL 39 -2.429 5.498 7.108 325 HB VAL 39 HB VAL 39 0.343 5.471 8.308 326 1HG1 VAL 39 1HG1 VAL 39 -2.334 6.200 9.491 327 2HG1 VAL 39 3HG1 VAL 39 -0.811 6.112 10.378 328 3HG1 VAL 39 2HG1 VAL 39 -1.023 7.315 9.106 329 1HG2 VAL 39 1HG2 VAL 39 -0.835 3.220 8.006 330 2HG2 VAL 39 3HG2 VAL 39 -0.256 3.632 9.621 331 3HG2 VAL 39 2HG2 VAL 39 -1.970 3.795 9.227 332 H GLY 40 H GLY 40 -2.852 7.619 6.973 333 1HA GLY 40 HA3 GLY 40 -0.757 9.565 6.567 334 2HA GLY 40 HA2 GLY 40 -2.473 9.897 6.734 335 H PHE 41 H PHE 41 -2.713 7.688 4.522 336 HA PHE 41 HA PHE 41 -2.455 9.600 2.313 337 1HB PHE 41 HB2 PHE 41 -1.614 6.700 2.162 338 2HB PHE 41 HB3 PHE 41 -1.542 7.876 0.854 339 HD1 PHE 41 HD1 PHE 41 -0.099 9.973 1.274 340 HD2 PHE 41 HD2 PHE 41 0.194 6.390 3.537 341 HE1 PHE 41 HE1 PHE 41 2.154 10.636 2.014 342 HE2 PHE 41 HE2 PHE 41 2.449 7.039 4.285 343 HZ PHE 41 HZ PHE 41 3.431 9.167 3.524 344 H VAL 42 H VAL 42 -4.383 7.705 4.093 345 HA VAL 42 HA VAL 42 -6.010 6.206 2.513 346 HB VAL 42 HB VAL 42 -6.410 6.369 4.884 347 1HG1 VAL 42 1HG1 VAL 42 -5.842 8.726 5.186 348 2HG1 VAL 42 3HG1 VAL 42 -7.339 9.193 4.378 349 3HG1 VAL 42 2HG1 VAL 42 -7.399 8.340 5.921 350 1HG2 VAL 42 1HG2 VAL 42 -8.296 5.684 3.512 351 2HG2 VAL 42 3HG2 VAL 42 -8.851 6.598 4.915 352 3HG2 VAL 42 2HG2 VAL 42 -8.794 7.366 3.328 353 H GLY 43 H GLY 43 -7.167 6.549 0.736 354 1HA GLY 43 HA3 GLY 43 -8.481 9.132 0.336 355 2HA GLY 43 HA2 GLY 43 -8.808 7.654 -0.555 356 H LYS 44 H LYS 44 -5.659 9.155 0.027 357 HA LYS 44 HA LYS 44 -5.404 10.504 -2.405 358 1HB LYS 44 HB2 LYS 44 -3.217 9.258 -0.732 359 2HB LYS 44 HB3 LYS 44 -3.011 10.523 -1.930 360 1HG LYS 44 HG2 LYS 44 -4.418 12.015 -0.572 361 2HG LYS 44 HG3 LYS 44 -4.541 10.747 0.651 362 1HD LYS 44 HD2 LYS 44 -2.108 10.788 0.933 363 2HD LYS 44 HD3 LYS 44 -1.990 12.060 -0.283 364 1HE LYS 44 HE2 LYS 44 -3.349 13.530 1.121 365 2HE LYS 44 HE3 LYS 44 -3.469 12.259 2.338 366 1HZ LYS 44 HZ3 LYS 44 -0.952 13.562 1.448 367 2HZ LYS 44 HZ2 LYS 44 -1.761 13.871 2.901 368 3HZ LYS 44 HZ1 LYS 44 -1.074 12.350 2.623 369 H ASP 45 H ASP 45 -3.786 9.937 -4.131 370 HA ASP 45 HA ASP 45 -4.392 7.306 -5.148 371 1HB ASP 45 HB2 ASP 45 -2.919 9.677 -6.303 372 2HB ASP 45 HB3 ASP 45 -3.150 8.162 -7.160 373 H VAL 46 H VAL 46 -1.518 9.179 -4.261 374 HA VAL 46 HA VAL 46 0.067 6.704 -4.373 375 HB VAL 46 HB VAL 46 0.778 9.569 -4.806 376 1HG1 VAL 46 2HG1 VAL 46 2.700 7.472 -3.800 377 2HG1 VAL 46 1HG1 VAL 46 3.184 8.998 -4.540 378 3HG1 VAL 46 3HG1 VAL 46 2.288 9.000 -3.021 379 1HG2 VAL 46 1HG2 VAL 46 0.362 8.065 -6.691 380 2HG2 VAL 46 3HG2 VAL 46 2.035 8.628 -6.664 381 3HG2 VAL 46 2HG2 VAL 46 1.645 6.998 -6.115 382 H LEU 47 H LEU 47 1.035 5.921 -2.623 383 HA LEU 47 HA LEU 47 0.515 7.262 -0.074 384 1HB LEU 47 HB2 LEU 47 1.609 4.508 -0.279 385 2HB LEU 47 HB3 LEU 47 0.561 5.196 0.940 386 HG LEU 47 HG LEU 47 -0.288 4.478 -1.867 387 1HD1 LEU 47 2HD1 LEU 47 -0.787 3.065 0.748 388 2HD1 LEU 47 1HD1 LEU 47 -1.505 2.637 -0.806 389 3HD1 LEU 47 3HD1 LEU 47 0.238 2.492 -0.569 390 1HD2 LEU 47 2HD2 LEU 47 -1.877 5.407 0.519 391 2HD2 LEU 47 1HD2 LEU 47 -1.598 6.304 -0.973 392 3HD2 LEU 47 3HD2 LEU 47 -2.562 4.828 -1.000 393 H SER 48 H SER 48 3.089 5.520 -1.780 394 HA SER 48 HA SER 48 5.199 5.938 -0.072 395 1HB SER 48 HB2 SER 48 6.626 5.563 -1.988 396 2HB SER 48 HB3 SER 48 5.212 4.527 -2.127 397 HG SER 48 HG SER 48 6.040 6.015 -3.983 398 H ASP 49 H ASP 49 7.188 7.339 -0.725 399 HA ASP 49 HA ASP 49 6.536 9.963 -1.744 400 1HB ASP 49 HB2 ASP 49 7.170 9.506 1.164 401 2HB ASP 49 HB3 ASP 49 7.467 11.055 0.378 402 H GLU 50 H GLU 50 9.047 9.240 0.597 403 HA GLU 50 HA GLU 50 11.043 9.244 -1.555 404 1HB GLU 50 HB2 GLU 50 12.459 10.713 -0.225 405 2HB GLU 50 HB3 GLU 50 10.900 11.469 -0.535 406 1HG GLU 50 HG2 GLU 50 10.169 10.742 1.725 407 2HG GLU 50 HG3 GLU 50 11.819 10.196 2.025 408 H ILE 51 H ILE 51 10.158 8.313 1.712 409 HA ILE 51 HA ILE 51 12.507 6.989 2.451 410 HB ILE 51 HB ILE 51 9.685 6.356 3.276 411 1HG1 ILE 51 2HG1 ILE 51 10.331 8.718 3.595 412 2HG1 ILE 51 3HG1 ILE 51 10.093 7.879 5.113 413 1HG2 ILE 51 3HG2 ILE 51 12.320 5.726 4.602 414 2HG2 ILE 51 2HG2 ILE 51 10.727 5.441 5.304 415 3HG2 ILE 51 1HG2 ILE 51 11.222 4.567 3.855 416 1HD1 ILE 51 1HD1 ILE 51 12.751 8.467 3.859 417 2HD1 ILE 51 3HD1 ILE 51 12.021 9.350 5.200 418 3HD1 ILE 51 2HD1 ILE 51 12.489 7.661 5.405 419 H LEU 52 H LEU 52 9.458 5.484 1.353 420 HA LEU 52 HA LEU 52 11.073 3.345 0.122 421 1HB LEU 52 HB2 LEU 52 8.363 2.928 1.376 422 2HB LEU 52 HB3 LEU 52 9.444 1.701 0.752 423 HG LEU 52 HG LEU 52 9.875 3.359 3.230 424 1HD1 LEU 52 2HD1 LEU 52 8.162 1.631 3.456 425 2HD1 LEU 52 1HD1 LEU 52 9.308 0.424 2.876 426 3HD1 LEU 52 3HD1 LEU 52 9.598 1.251 4.407 427 1HD2 LEU 52 2HD2 LEU 52 11.983 2.858 2.052 428 2HD2 LEU 52 1HD2 LEU 52 11.859 2.028 3.602 429 3HD2 LEU 52 3HD2 LEU 52 11.576 1.143 2.104 430 H GLU 53 H GLU 53 10.582 2.855 -1.944 431 HA GLU 53 HA GLU 53 8.644 4.404 -3.358 432 1HB GLU 53 HB2 GLU 53 10.738 2.446 -4.005 433 2HB GLU 53 HB3 GLU 53 9.336 2.358 -5.062 434 1HG GLU 53 HG2 GLU 53 10.298 5.067 -4.574 435 2HG GLU 53 HG3 GLU 53 11.459 4.021 -5.388 436 H VAL 54 H VAL 54 6.953 3.631 -1.764 437 HA VAL 54 HA VAL 54 5.972 0.967 -1.991 438 HB VAL 54 HB VAL 54 4.359 3.282 -0.967 439 1HG1 VAL 54 3HG1 VAL 54 3.270 1.102 -1.244 440 2HG1 VAL 54 2HG1 VAL 54 4.477 0.377 -0.182 441 3HG1 VAL 54 1HG1 VAL 54 3.363 1.589 0.448 442 1HG2 VAL 54 2HG2 VAL 54 6.623 1.845 0.391 443 2HG2 VAL 54 1HG2 VAL 54 6.410 3.579 0.166 444 3HG2 VAL 54 3HG2 VAL 54 5.365 2.700 1.283 445 H VAL 55 H VAL 55 5.725 0.779 -4.286 446 HA VAL 55 HA VAL 55 3.712 2.368 -5.592 447 HB VAL 55 HB VAL 55 4.956 -0.190 -6.578 448 1HG1 VAL 55 2HG1 VAL 55 2.851 0.652 -7.654 449 2HG1 VAL 55 1HG1 VAL 55 3.757 2.082 -8.145 450 3HG1 VAL 55 3HG1 VAL 55 4.232 0.491 -8.742 451 1HG2 VAL 55 3HG2 VAL 55 6.710 1.429 -6.058 452 2HG2 VAL 55 2HG2 VAL 55 6.547 1.227 -7.802 453 3HG2 VAL 55 1HG2 VAL 55 5.874 2.653 -7.013 454 H CYS 56 H CYS 56 2.014 1.971 -4.171 455 HA CYS 56 HA CYS 56 0.931 -0.724 -3.997 456 1HB CYS 56 HB2 CYS 56 0.925 0.486 -1.929 457 2HB CYS 56 HB3 CYS 56 0.147 1.877 -2.677 458 HG CYS 56 HG CYS 56 -2.116 1.150 -1.698 459 H LYS 57 H LYS 57 -0.847 -1.413 -5.025 460 HA LYS 57 HA LYS 57 -2.348 0.550 -6.613 461 1HB LYS 57 HB2 LYS 57 -1.848 -2.253 -7.552 462 2HB LYS 57 HB3 LYS 57 -2.415 -0.877 -8.480 463 1HG LYS 57 HG2 LYS 57 -0.222 0.167 -8.305 464 2HG LYS 57 HG3 LYS 57 0.357 -1.199 -7.351 465 1HD LYS 57 HD2 LYS 57 -0.071 -2.699 -9.239 466 2HD LYS 57 HD3 LYS 57 -0.643 -1.329 -10.195 467 1HE LYS 57 HE2 LYS 57 2.134 -1.662 -9.065 468 2HE LYS 57 HE3 LYS 57 1.668 -1.904 -10.749 469 1HZ LYS 57 HZ3 LYS 57 1.474 0.658 -9.259 470 2HZ LYS 57 HZ2 LYS 57 2.659 0.272 -10.400 471 3HZ LYS 57 HZ1 LYS 57 1.044 0.422 -10.878 472 H TYR 58 H TYR 58 -4.201 0.671 -5.577 473 HA TYR 58 HA TYR 58 -5.439 -1.634 -4.356 474 1HB TYR 58 HB2 TYR 58 -5.585 0.651 -3.333 475 2HB TYR 58 HB3 TYR 58 -6.540 1.172 -4.717 476 HD1 TYR 58 HD1 TYR 58 -7.178 1.133 -1.649 477 HD2 TYR 58 HD2 TYR 58 -8.230 -1.431 -4.897 478 HE1 TYR 58 HE1 TYR 58 -9.261 0.485 -0.497 479 HE2 TYR 58 HE2 TYR 58 -10.280 -2.099 -3.747 480 HH TYR 58 HH TYR 58 -11.166 -2.153 -1.446 481 H THR 59 H THR 59 -6.418 -3.065 -5.606 482 HA THR 59 HA THR 59 -7.716 -2.167 -8.084 483 HB THR 59 HB THR 59 -7.242 -5.047 -7.347 484 HG1 THR 59 HG1 THR 59 -5.176 -4.461 -7.310 485 1HG2 THR 59 2HG2 THR 59 -7.390 -3.561 -9.977 486 2HG2 THR 59 1HG2 THR 59 -7.132 -5.295 -9.793 487 3HG2 THR 59 3HG2 THR 59 -8.657 -4.571 -9.282 488 HA PRO 60 HA PRO 60 -11.456 -3.209 -5.749 489 1HB PRO 60 HB2 PRO 60 -12.776 -0.968 -6.203 490 2HB PRO 60 HB3 PRO 60 -11.348 -0.944 -5.164 491 1HG PRO 60 HG2 PRO 60 -11.679 0.015 -7.961 492 2HG PRO 60 HG3 PRO 60 -10.601 0.614 -6.689 493 1HD PRO 60 HD2 PRO 60 -9.987 -1.228 -8.805 494 2HD PRO 60 HD3 PRO 60 -8.917 -0.640 -7.517 495 H THR 61 H THR 61 -10.796 -3.341 -8.913 496 HA THR 61 HA THR 61 -13.491 -3.187 -9.958 497 HB THR 61 HB THR 61 -11.414 -4.413 -11.655 498 HG1 THR 61 HG1 THR 61 -10.261 -2.780 -10.404 499 1HG2 THR 61 1HG2 THR 61 -13.329 -2.106 -12.017 500 2HG2 THR 61 3HG2 THR 61 -12.313 -2.799 -13.281 501 3HG2 THR 61 2HG2 THR 61 -13.587 -3.770 -12.543 502 HA PRO 62 HA PRO 62 -14.217 -7.546 -9.345 503 1HB PRO 62 HB2 PRO 62 -16.668 -7.692 -10.376 504 2HB PRO 62 HB3 PRO 62 -16.362 -6.772 -8.897 505 1HG PRO 62 HG2 PRO 62 -16.748 -5.797 -11.695 506 2HG PRO 62 HG3 PRO 62 -17.330 -5.099 -10.176 507 1HD PRO 62 HD2 PRO 62 -15.070 -4.264 -11.574 508 2HD PRO 62 HD3 PRO 62 -15.412 -3.916 -9.868 509 H SER 63 H SER 63 -15.223 -9.394 -10.762 510 HA SER 63 HA SER 63 -14.836 -9.200 -13.592 511 1HB SER 63 HB2 SER 63 -12.473 -9.370 -12.642 512 2HB SER 63 HB3 SER 63 -12.900 -11.008 -12.143 513 HG SER 63 HG SER 63 -12.607 -9.954 -14.729 514 H SER 64 H SER 64 -14.556 -11.768 -14.339 515 HA SER 64 HA SER 64 -16.914 -13.039 -13.136 516 1HB SER 64 HB2 SER 64 -17.103 -12.550 -15.529 517 2HB SER 64 HB3 SER 64 -15.639 -13.481 -15.847 518 HG SER 64 HG SER 64 -17.866 -14.502 -16.070 519 H THR 65 H THR 65 -13.831 -14.026 -14.646 520 HA THR 65 HA THR 65 -13.828 -16.376 -12.893 521 HB THR 65 HB THR 65 -12.255 -15.958 -15.434 522 HG1 THR 65 HG1 THR 65 -14.672 -17.330 -14.852 523 1HG2 THR 65 2HG2 THR 65 -12.599 -18.406 -13.697 524 2HG2 THR 65 1HG2 THR 65 -11.758 -18.356 -15.245 525 3HG2 THR 65 3HG2 THR 65 -11.124 -17.455 -13.869 526 HA PRO 66 HA PRO 66 -9.336 -14.593 -12.512 527 1HB PRO 66 HB2 PRO 66 -9.583 -11.824 -13.458 528 2HB PRO 66 HB3 PRO 66 -8.391 -13.052 -13.889 529 1HG PRO 66 HG2 PRO 66 -10.278 -12.245 -15.624 530 2HG PRO 66 HG3 PRO 66 -9.703 -13.922 -15.581 531 1HD PRO 66 HD2 PRO 66 -12.204 -12.749 -14.410 532 2HD PRO 66 HD3 PRO 66 -11.995 -14.267 -15.308 533 H MET 67 H MET 67 -9.117 -14.278 -10.401 534 HA MET 67 HA MET 67 -10.143 -11.830 -9.185 535 1HB MET 67 HB2 MET 67 -10.780 -14.598 -8.137 536 2HB MET 67 HB3 MET 67 -11.100 -13.099 -7.277 537 1HG MET 67 HG2 MET 67 -12.292 -13.850 -9.936 538 2HG MET 67 HG3 MET 67 -13.091 -14.032 -8.375 539 1HE MET 67 HE2 MET 67 -13.859 -12.030 -6.853 540 2HE MET 67 HE1 MET 67 -12.203 -11.426 -6.817 541 3HE MET 67 HE3 MET 67 -13.530 -10.336 -7.214 542 H VAL 68 H VAL 68 -7.565 -13.253 -9.905 543 HA VAL 68 HA VAL 68 -6.339 -13.362 -7.239 544 HB VAL 68 HB VAL 68 -6.181 -15.365 -8.778 545 1HG1 VAL 68 2HG1 VAL 68 -5.825 -14.146 -10.866 546 2HG1 VAL 68 1HG1 VAL 68 -4.260 -13.587 -10.275 547 3HG1 VAL 68 3HG1 VAL 68 -4.531 -15.305 -10.566 548 1HG2 VAL 68 3HG2 VAL 68 -4.687 -15.067 -6.871 549 2HG2 VAL 68 2HG2 VAL 68 -3.842 -15.822 -8.222 550 3HG2 VAL 68 1HG2 VAL 68 -3.590 -14.113 -7.868 551 H GLY 69 H GLY 69 -6.973 -10.923 -8.748 552 1HA GLY 69 HA3 GLY 69 -4.763 -9.794 -10.018 553 2HA GLY 69 HA2 GLY 69 -4.568 -9.505 -8.297 554 H VAL 70 H VAL 70 -7.703 -9.656 -9.808 555 HA VAL 70 HA VAL 70 -8.099 -6.837 -9.150 556 HB VAL 70 HB VAL 70 -7.627 -6.761 -11.495 557 1HG1 VAL 70 1HG1 VAL 70 -7.998 -9.123 -12.008 558 2HG1 VAL 70 3HG1 VAL 70 -9.739 -8.877 -11.875 559 3HG1 VAL 70 2HG1 VAL 70 -8.830 -8.070 -13.153 560 1HG2 VAL 70 3HG2 VAL 70 -9.495 -5.365 -10.678 561 2HG2 VAL 70 2HG2 VAL 70 -9.661 -5.804 -12.378 562 3HG2 VAL 70 1HG2 VAL 70 -10.620 -6.636 -11.154 563 H GLY 71 H GLY 71 -9.239 -7.682 -7.340 564 1HA GLY 71 HA3 GLY 71 -11.172 -9.458 -7.060 565 2HA GLY 71 HA2 GLY 71 -12.025 -8.232 -7.978 566 H GLY 72 H GLY 72 -10.151 -6.256 -6.433 567 1HA GLY 72 HA3 GLY 72 -11.953 -6.083 -4.129 568 2HA GLY 72 HA2 GLY 72 -11.085 -4.732 -4.832 569 H ILE 73 H ILE 73 -8.594 -6.306 -5.010 570 HA ILE 73 HA ILE 73 -7.978 -6.642 -2.164 571 HB ILE 73 HB ILE 73 -5.938 -7.757 -2.811 572 1HG1 ILE 73 2HG1 ILE 73 -6.658 -7.895 -5.680 573 2HG1 ILE 73 3HG1 ILE 73 -5.961 -6.381 -5.101 574 1HG2 ILE 73 2HG2 ILE 73 -8.043 -9.024 -2.604 575 2HG2 ILE 73 1HG2 ILE 73 -8.219 -8.937 -4.357 576 3HG2 ILE 73 3HG2 ILE 73 -6.840 -9.783 -3.648 577 1HD1 ILE 73 3HD1 ILE 73 -4.054 -7.641 -4.191 578 2HD1 ILE 73 2HD1 ILE 73 -4.740 -9.121 -4.863 579 3HD1 ILE 73 1HD1 ILE 73 -4.221 -7.821 -5.939 580 H TYR 74 H TYR 74 -5.299 -6.273 -2.138 581 HA TYR 74 HA TYR 74 -4.782 -3.563 -3.099 582 1HB TYR 74 HB2 TYR 74 -4.085 -4.175 -0.258 583 2HB TYR 74 HB3 TYR 74 -4.461 -2.627 -1.010 584 HD1 TYR 74 HD1 TYR 74 -6.649 -1.735 -0.910 585 HD2 TYR 74 HD2 TYR 74 -5.993 -5.780 0.224 586 HE1 TYR 74 HE1 TYR 74 -8.936 -1.864 -0.011 587 HE2 TYR 74 HE2 TYR 74 -8.271 -5.910 1.113 588 HH TYR 74 HH TYR 74 -10.004 -4.369 1.973 589 H VAL 75 H VAL 75 -3.107 -4.208 -4.421 590 HA VAL 75 HA VAL 75 -1.037 -5.944 -3.313 591 HB VAL 75 HB VAL 75 -1.701 -6.575 -5.517 592 1HG1 VAL 75 1HG1 VAL 75 -1.120 -3.737 -6.338 593 2HG1 VAL 75 3HG1 VAL 75 -1.482 -5.057 -7.448 594 3HG1 VAL 75 2HG1 VAL 75 -2.701 -4.523 -6.290 595 1HG2 VAL 75 1HG2 VAL 75 0.683 -6.763 -5.030 596 2HG2 VAL 75 3HG2 VAL 75 0.405 -6.436 -6.741 597 3HG2 VAL 75 2HG2 VAL 75 0.947 -5.142 -5.672 598 H VAL 76 H VAL 76 0.336 -4.902 -2.064 599 HA VAL 76 HA VAL 76 1.231 -2.208 -2.792 600 HB VAL 76 HB VAL 76 1.757 -3.721 -0.235 601 1HG1 VAL 76 2HG1 VAL 76 1.999 -0.798 -0.943 602 2HG1 VAL 76 1HG1 VAL 76 2.219 -1.477 0.670 603 3HG1 VAL 76 3HG1 VAL 76 3.325 -1.918 -0.631 604 1HG2 VAL 76 3HG2 VAL 76 -0.644 -3.442 -0.559 605 2HG2 VAL 76 2HG2 VAL 76 -0.061 -2.411 0.746 606 3HG2 VAL 76 1HG2 VAL 76 -0.416 -1.715 -0.834 607 H LEU 77 H LEU 77 3.182 -1.839 -3.639 608 HA LEU 77 HA LEU 77 5.241 -3.934 -3.413 609 1HB LEU 77 HB2 LEU 77 4.831 -1.811 -5.517 610 2HB LEU 77 HB3 LEU 77 6.274 -2.800 -5.412 611 HG LEU 77 HG LEU 77 3.464 -3.822 -5.888 612 1HD1 LEU 77 2HD1 LEU 77 5.816 -3.572 -7.759 613 2HD1 LEU 77 1HD1 LEU 77 4.270 -4.331 -8.139 614 3HD1 LEU 77 3HD1 LEU 77 4.344 -2.602 -7.805 615 1HD2 LEU 77 3HD2 LEU 77 5.209 -5.269 -4.631 616 2HD2 LEU 77 2HD2 LEU 77 4.314 -5.969 -5.983 617 3HD2 LEU 77 1HD2 LEU 77 5.971 -5.413 -6.214 618 H VAL 78 H VAL 78 6.362 -3.349 -1.617 619 HA VAL 78 HA VAL 78 7.097 -0.533 -1.301 620 HB VAL 78 HB VAL 78 8.150 -2.242 0.766 621 1HG1 VAL 78 2HG1 VAL 78 6.062 -0.048 0.782 622 2HG1 VAL 78 1HG1 VAL 78 6.864 -0.713 2.207 623 3HG1 VAL 78 3HG1 VAL 78 7.804 0.166 1.001 624 1HG2 VAL 78 2HG2 VAL 78 6.326 -3.739 0.152 625 2HG2 VAL 78 1HG2 VAL 78 6.048 -3.007 1.730 626 3HG2 VAL 78 3HG2 VAL 78 5.176 -2.413 0.319 627 H LYS 79 H LYS 79 8.809 0.000 -2.487 628 HA LYS 79 HA LYS 79 11.105 -1.829 -2.563 629 1HB LYS 79 HB2 LYS 79 10.073 0.272 -4.407 630 2HB LYS 79 HB3 LYS 79 11.805 -0.028 -4.381 631 1HG LYS 79 HG2 LYS 79 11.374 -2.408 -4.847 632 2HG LYS 79 HG3 LYS 79 9.639 -2.045 -4.971 633 1HD LYS 79 HD2 LYS 79 11.791 -0.782 -6.676 634 2HD LYS 79 HD3 LYS 79 10.802 -2.159 -7.168 635 1HE LYS 79 HE2 LYS 79 9.782 0.584 -6.440 636 2HE LYS 79 HE3 LYS 79 9.926 -0.065 -8.072 637 1HZ LYS 79 HZ2 LYS 79 8.332 -1.788 -7.482 638 2HZ LYS 79 HZ1 LYS 79 8.186 -1.149 -5.923 639 3HZ LYS 79 HZ3 LYS 79 7.667 -0.250 -7.259 640 HA PRO 80 HA PRO 80 12.662 0.871 0.767 641 1HB PRO 80 HB2 PRO 80 14.997 -0.835 0.001 642 2HB PRO 80 HB3 PRO 80 14.425 -0.370 1.608 643 1HG PRO 80 HG2 PRO 80 13.900 -2.791 0.615 644 2HG PRO 80 HG3 PRO 80 12.705 -1.918 1.586 645 1HD PRO 80 HD2 PRO 80 12.746 -2.443 -1.327 646 2HD PRO 80 HD3 PRO 80 11.368 -2.180 -0.242 647 H ARG 81 H ARG 81 12.790 2.854 -0.230 648 HA ARG 81 HA ARG 81 14.611 3.394 -2.368 649 1HB ARG 81 HB2 ARG 81 12.459 4.740 -1.031 650 2HB ARG 81 HB3 ARG 81 13.848 5.815 -1.133 651 1HG ARG 81 HG2 ARG 81 13.944 5.496 -3.534 652 2HG ARG 81 HG3 ARG 81 12.605 4.349 -3.448 653 1HD ARG 81 HD2 ARG 81 11.103 6.057 -2.711 654 2HD ARG 81 HD3 ARG 81 12.421 7.221 -2.561 655 HE ARG 81 HE ARG 81 12.022 6.120 -5.210 656 1HH1 ARG 81 1HH1 ARG 81 11.320 8.709 -2.988 657 2HH1 ARG 81 2HH1 ARG 81 10.893 9.834 -4.232 658 1HH2 ARG 81 1HH2 ARG 81 11.462 7.594 -6.855 659 2HH2 ARG 81 2HH2 ARG 81 10.974 9.201 -6.432 660 H LYS 82 H LYS 82 14.693 3.622 1.109 661 HA LYS 82 HA LYS 82 17.431 4.699 0.932 662 1HB LYS 82 HB2 LYS 82 15.515 5.119 3.227 663 2HB LYS 82 HB3 LYS 82 17.096 5.854 3.020 664 1HG LYS 82 HG2 LYS 82 16.232 7.011 1.001 665 2HG LYS 82 HG3 LYS 82 14.632 6.363 1.372 666 1HD LYS 82 HD2 LYS 82 14.807 7.465 3.617 667 2HD LYS 82 HD3 LYS 82 16.278 8.254 3.043 668 1HE LYS 82 HE2 LYS 82 14.922 9.174 1.142 669 2HE LYS 82 HE3 LYS 82 13.486 8.551 1.955 670 1HZ LYS 82 HZ1 LYS 82 15.389 10.519 3.103 671 2HZ LYS 82 HZ3 LYS 82 13.866 10.884 2.462 672 3HZ LYS 82 HZ2 LYS 82 13.991 9.936 3.856 673 H ARG 83 H ARG 83 18.927 3.962 2.533 674 HA ARG 83 HA ARG 83 18.375 1.221 3.390 675 1HB ARG 83 HB2 ARG 83 21.014 2.673 3.510 676 2HB ARG 83 HB3 ARG 83 20.733 0.937 3.523 677 1HG ARG 83 HG2 ARG 83 20.212 0.885 1.248 678 2HG ARG 83 HG3 ARG 83 19.961 2.631 1.175 679 1HD ARG 83 HD2 ARG 83 22.586 1.211 1.593 680 2HD ARG 83 HD3 ARG 83 22.061 2.035 0.126 681 HE ARG 83 HE ARG 83 21.993 3.818 2.312 682 1HH1 ARG 83 1HH1 ARG 83 24.232 2.175 0.208 683 2HH1 ARG 83 2HH1 ARG 83 25.462 3.386 0.358 684 1HH2 ARG 83 1HH2 ARG 83 23.604 5.418 2.514 685 2HH2 ARG 83 2HH2 ARG 83 25.104 5.229 1.669 686 H GLY 84 H GLY 84 17.929 0.746 5.455 687 1HA GLY 84 HA3 GLY 84 18.448 2.814 7.486 688 2HA GLY 84 HA2 GLY 84 18.993 1.167 7.767 689 H HIS 85 H HIS 85 17.223 2.554 9.462 690 HA HIS 85 HA HIS 85 15.158 0.633 9.709 691 1HB HIS 85 HB2 HIS 85 16.110 1.821 11.643 692 2HB HIS 85 HB3 HIS 85 15.420 3.328 11.052 693 HD1 HIS 85 HD1 HIS 85 13.010 3.806 11.622 694 HD2 HIS 85 HD2 HIS 85 14.164 -0.067 12.591 695 HE1 HIS 85 HE1 HIS 85 11.109 2.853 12.963 696 HE2 HIS 85 HE2 HIS 85 11.865 0.539 13.610 697 H HIS 86 H HIS 86 13.376 0.504 8.580 698 HA HIS 86 HA HIS 86 11.886 2.913 7.895 699 1HB HIS 86 HB2 HIS 86 12.763 0.870 5.840 700 2HB HIS 86 HB3 HIS 86 11.578 2.145 5.548 701 HD1 HIS 86 HD1 HIS 86 12.744 4.645 6.403 702 HD2 HIS 86 HD2 HIS 86 15.153 1.641 4.847 703 HE1 HIS 86 HE1 HIS 86 14.844 5.795 5.641 704 HE2 HIS 86 HE2 HIS 86 16.240 3.973 4.604 705 H THR 87 H THR 87 9.702 2.263 6.872 706 HA THR 87 HA THR 87 8.746 -0.373 7.518 707 HB THR 87 HB THR 87 7.710 1.954 9.147 708 HG1 THR 87 HG1 THR 87 9.652 1.306 10.018 709 1HG2 THR 87 1HG2 THR 87 6.993 -0.980 9.184 710 2HG2 THR 87 3HG2 THR 87 6.416 0.224 10.333 711 3HG2 THR 87 2HG2 THR 87 5.963 0.340 8.633 712 H LEU 88 H LEU 88 6.498 -0.690 6.999 713 HA LEU 88 HA LEU 88 5.423 1.313 5.127 714 1HB LEU 88 HB2 LEU 88 6.045 -0.520 3.796 715 2HB LEU 88 HB3 LEU 88 5.506 -1.681 4.985 716 HG LEU 88 HG LEU 88 3.132 -0.750 4.481 717 1HD1 LEU 88 3HD1 LEU 88 3.884 1.175 3.178 718 2HD1 LEU 88 2HD1 LEU 88 4.601 0.088 1.990 719 3HD1 LEU 88 1HD1 LEU 88 2.854 0.107 2.226 720 1HD2 LEU 88 1HD2 LEU 88 4.745 -2.521 2.682 721 2HD2 LEU 88 3HD2 LEU 88 3.597 -2.978 3.936 722 3HD2 LEU 88 2HD2 LEU 88 3.021 -2.257 2.434 723 H GLU 89 H GLU 89 4.087 2.310 6.594 724 HA GLU 89 HA GLU 89 2.428 0.890 8.406 725 1HB GLU 89 HB2 GLU 89 2.444 3.753 7.477 726 2HB GLU 89 HB3 GLU 89 1.350 3.141 8.709 727 1HG GLU 89 HG2 GLU 89 3.185 2.548 10.117 728 2HG GLU 89 HG3 GLU 89 4.345 3.012 8.874 729 H LEU 90 H LEU 90 1.078 -0.543 7.367 730 HA LEU 90 HA LEU 90 -0.884 0.644 5.520 731 1HB LEU 90 HB2 LEU 90 0.007 -2.210 5.887 732 2HB LEU 90 HB3 LEU 90 -1.457 -1.794 5.025 733 HG LEU 90 HG LEU 90 1.335 -0.938 4.259 734 1HD1 LEU 90 3HD1 LEU 90 -0.552 -2.944 3.036 735 2HD1 LEU 90 2HD1 LEU 90 0.975 -2.419 2.329 736 3HD1 LEU 90 1HD1 LEU 90 0.969 -3.297 3.857 737 1HD2 LEU 90 3HD2 LEU 90 -1.323 -0.456 2.917 738 2HD2 LEU 90 2HD2 LEU 90 -0.276 0.762 3.646 739 3HD2 LEU 90 1HD2 LEU 90 0.253 -0.107 2.206 740 H VAL 91 H VAL 91 -2.737 1.163 6.416 741 HA VAL 91 HA VAL 91 -3.668 -0.412 8.728 742 HB VAL 91 HB VAL 91 -2.973 1.852 9.359 743 1HG1 VAL 91 2HG1 VAL 91 -5.040 2.729 7.345 744 2HG1 VAL 91 1HG1 VAL 91 -4.297 3.794 8.542 745 3HG1 VAL 91 3HG1 VAL 91 -3.301 3.032 7.301 746 1HG2 VAL 91 2HG2 VAL 91 -5.958 1.440 9.476 747 2HG2 VAL 91 1HG2 VAL 91 -4.766 0.818 10.620 748 3HG2 VAL 91 3HG2 VAL 91 -5.039 2.556 10.486 749 H TYR 92 H TYR 92 -5.953 -0.572 9.014 750 HA TYR 92 HA TYR 92 -7.426 -0.679 6.490 751 1HB TYR 92 HB2 TYR 92 -7.254 -2.646 8.129 752 2HB TYR 92 HB3 TYR 92 -8.330 -1.727 9.175 753 HD1 TYR 92 HD1 TYR 92 -10.338 -2.876 9.196 754 HD2 TYR 92 HD2 TYR 92 -8.400 -2.189 5.471 755 HE1 TYR 92 HE1 TYR 92 -12.283 -3.813 8.018 756 HE2 TYR 92 HE2 TYR 92 -10.340 -3.121 4.284 757 HH TYR 92 HH TYR 92 -13.323 -3.692 5.796 758 H THR 93 H THR 93 -7.684 1.637 6.385 759 HA THR 93 HA THR 93 -9.501 2.796 8.395 760 HB THR 93 HB THR 93 -7.425 4.016 8.178 761 HG1 THR 93 HG1 THR 93 -8.782 5.899 6.863 762 1HG2 THR 93 1HG2 THR 93 -8.143 4.232 5.249 763 2HG2 THR 93 3HG2 THR 93 -6.811 5.081 6.036 764 3HG2 THR 93 2HG2 THR 93 -6.794 3.321 5.929 765 H ARG 94 H ARG 94 -11.282 4.034 7.767 766 HA ARG 94 HA ARG 94 -12.409 3.307 5.182 767 1HB ARG 94 HB2 ARG 94 -13.463 4.109 7.798 768 2HB ARG 94 HB3 ARG 94 -14.298 4.856 6.444 769 1HG ARG 94 HG2 ARG 94 -14.697 2.634 5.484 770 2HG ARG 94 HG3 ARG 94 -13.904 1.906 6.879 771 1HD ARG 94 HD2 ARG 94 -16.301 1.830 7.171 772 2HD ARG 94 HD3 ARG 94 -15.588 2.930 8.350 773 HE ARG 94 HE ARG 94 -16.319 4.476 6.177 774 1HH1 ARG 94 1HH1 ARG 94 -17.896 2.420 8.507 775 2HH1 ARG 94 2HH1 ARG 94 -19.389 3.295 8.460 776 1HH2 ARG 94 1HH2 ARG 94 -18.282 5.633 6.108 777 2HH2 ARG 94 2HH2 ARG 94 -19.610 5.121 7.095 778 HA PRO 95 HA PRO 95 -10.786 7.311 3.700 779 1HB PRO 95 HB2 PRO 95 -12.221 6.305 1.291 780 2HB PRO 95 HB3 PRO 95 -10.592 6.971 1.433 781 1HG PRO 95 HG2 PRO 95 -10.950 4.353 1.126 782 2HG PRO 95 HG3 PRO 95 -9.707 4.974 2.227 783 1HD PRO 95 HD2 PRO 95 -12.391 3.825 2.859 784 2HD PRO 95 HD3 PRO 95 -10.851 3.631 3.708 785 H PHE 96 H PHE 96 -14.033 6.003 3.392 786 HA PHE 96 HA PHE 96 -15.333 8.338 2.549 787 1HB PHE 96 HB2 PHE 96 -16.368 5.963 4.101 788 2HB PHE 96 HB3 PHE 96 -17.364 7.166 3.305 789 HD1 PHE 96 HD1 PHE 96 -14.919 4.474 2.728 790 HD2 PHE 96 HD2 PHE 96 -17.817 7.061 0.990 791 HE1 PHE 96 HE1 PHE 96 -14.825 3.171 0.645 792 HE2 PHE 96 HE2 PHE 96 -17.732 5.760 -1.096 793 HZ PHE 96 HZ PHE 96 -16.235 3.812 -1.271 794 H GLU 97 H GLU 97 -14.200 7.292 5.656 795 HA GLU 97 HA GLU 97 -15.481 9.647 6.883 796 1HB GLU 97 HB2 GLU 97 -14.876 6.980 8.172 797 2HB GLU 97 HB3 GLU 97 -15.480 8.394 9.025 798 1HG GLU 97 HG2 GLU 97 -16.915 6.960 6.801 799 2HG GLU 97 HG3 GLU 97 -17.241 6.766 8.523 800 H GLY 98 H GLY 98 -12.990 7.372 8.002 801 1HA GLY 98 HA3 GLY 98 -11.417 9.411 9.184 802 2HA GLY 98 HA2 GLY 98 -10.736 8.969 7.625 803 H ILE 99 H ILE 99 -9.140 8.599 9.649 804 HA ILE 99 HA ILE 99 -9.012 5.689 9.861 805 HB ILE 99 HB ILE 99 -6.843 7.597 10.670 806 1HG1 ILE 99 2HG1 ILE 99 -7.126 6.438 7.901 807 2HG1 ILE 99 3HG1 ILE 99 -7.747 8.037 8.308 808 1HG2 ILE 99 1HG2 ILE 99 -7.001 4.710 9.866 809 2HG2 ILE 99 3HG2 ILE 99 -5.477 5.596 9.821 810 3HG2 ILE 99 2HG2 ILE 99 -6.345 5.410 11.347 811 1HD1 ILE 99 1HD1 ILE 99 -5.488 8.736 8.932 812 2HD1 ILE 99 3HD1 ILE 99 -4.878 7.136 8.510 813 3HD1 ILE 99 2HD1 ILE 99 -5.563 8.177 7.262 814 H LYS 100 H LYS 100 -8.958 4.605 11.778 815 HA LYS 100 HA LYS 100 -9.110 6.184 14.254 816 1HB LYS 100 HB2 LYS 100 -10.784 3.727 13.988 817 2HB LYS 100 HB3 LYS 100 -11.038 5.146 14.991 818 1HG LYS 100 HG2 LYS 100 -11.663 6.440 13.016 819 2HG LYS 100 HG3 LYS 100 -11.425 5.009 12.010 820 1HD LYS 100 HD2 LYS 100 -13.456 4.244 12.506 821 2HD LYS 100 HD3 LYS 100 -13.152 4.410 14.237 822 1HE LYS 100 HE2 LYS 100 -13.737 6.785 14.102 823 2HE LYS 100 HE3 LYS 100 -14.065 6.603 12.378 824 1HZ LYS 100 HZ2 LYS 100 -15.508 5.209 14.569 825 2HZ LYS 100 HZ1 LYS 100 -16.097 6.520 13.678 826 3HZ LYS 100 HZ3 LYS 100 -15.823 5.033 12.916 827 HA PRO 101 HA PRO 101 -6.337 3.224 15.991 828 1HB PRO 101 HB2 PRO 101 -7.839 2.967 18.476 829 2HB PRO 101 HB3 PRO 101 -6.306 3.788 18.186 830 1HG PRO 101 HG2 PRO 101 -8.598 5.113 18.757 831 2HG PRO 101 HG3 PRO 101 -7.323 5.789 17.734 832 1HD PRO 101 HD2 PRO 101 -9.903 4.496 16.935 833 2HD PRO 101 HD3 PRO 101 -9.126 5.951 16.275 834 H GLU 102 H GLU 102 -9.725 2.375 16.658 835 HA GLU 102 HA GLU 102 -9.331 -0.332 17.217 836 1HB GLU 102 HB2 GLU 102 -11.736 -0.588 16.575 837 2HB GLU 102 HB3 GLU 102 -11.420 0.670 17.764 838 1HG GLU 102 HG2 GLU 102 -11.503 2.347 16.003 839 2HG GLU 102 HG3 GLU 102 -11.837 1.086 14.821 840 H ASN 103 H ASN 103 -9.097 1.360 14.279 841 HA ASN 103 HA ASN 103 -9.839 -0.594 12.414 842 1HB ASN 103 HB2 ASN 103 -7.834 1.660 12.267 843 2HB ASN 103 HB3 ASN 103 -8.247 0.655 10.884 844 1HD2 ASN 103 1HD2 ASN 103 -10.704 1.347 13.198 845 2HD2 ASN 103 2HD2 ASN 103 -11.573 2.496 12.248 846 H GLU 104 H GLU 104 -8.627 -2.125 11.254 847 HA GLU 104 HA GLU 104 -6.760 -3.599 12.713 848 1HB GLU 104 HB2 GLU 104 -7.958 -3.681 10.043 849 2HB GLU 104 HB3 GLU 104 -6.358 -4.391 10.136 850 1HG GLU 104 HG2 GLU 104 -7.830 -6.157 10.540 851 2HG GLU 104 HG3 GLU 104 -7.221 -5.703 12.128 852 H ARG 105 H ARG 105 -4.556 -4.203 11.804 853 HA ARG 105 HA ARG 105 -3.159 -1.826 10.774 854 1HB ARG 105 HB2 ARG 105 -2.861 -1.935 13.209 855 2HB ARG 105 HB3 ARG 105 -2.270 -3.579 13.073 856 1HG ARG 105 HG2 ARG 105 -0.294 -2.440 13.270 857 2HG ARG 105 HG3 ARG 105 -0.478 -2.485 11.511 858 1HD ARG 105 HD2 ARG 105 0.120 -0.255 12.149 859 2HD ARG 105 HD3 ARG 105 -1.561 -0.256 11.613 860 HE ARG 105 HE ARG 105 -1.541 -0.639 14.373 861 1HH1 ARG 105 1HH1 ARG 105 -0.710 1.831 12.057 862 2HH1 ARG 105 2HH1 ARG 105 -1.036 3.140 13.143 863 1HH2 ARG 105 1HH2 ARG 105 -1.974 1.082 15.809 864 2HH2 ARG 105 2HH2 ARG 105 -1.754 2.715 15.276 865 H TYR 106 H TYR 106 -1.011 -2.301 9.921 866 HA TYR 106 HA TYR 106 -0.053 -4.911 9.463 867 1HB TYR 106 HB2 TYR 106 -2.012 -4.889 7.886 868 2HB TYR 106 HB3 TYR 106 -1.207 -3.594 6.999 869 HD1 TYR 106 HD1 TYR 106 -1.135 -7.139 7.905 870 HD2 TYR 106 HD2 TYR 106 0.699 -4.083 5.587 871 HE1 TYR 106 HE1 TYR 106 0.070 -8.844 6.625 872 HE2 TYR 106 HE2 TYR 106 1.914 -5.785 4.296 873 HH TYR 106 HH TYR 106 2.667 -8.121 4.575 874 H THR 107 H THR 107 1.440 -3.325 10.532 875 HA THR 107 HA THR 107 2.753 -1.436 8.772 876 HB THR 107 HB THR 107 4.112 -1.933 11.292 877 HG1 THR 107 HG1 THR 107 2.376 -1.197 12.608 878 1HG2 THR 107 3HG2 THR 107 4.273 0.097 9.831 879 2HG2 THR 107 2HG2 THR 107 2.632 0.511 10.322 880 3HG2 THR 107 1HG2 THR 107 3.921 0.445 11.524 881 H LEU 108 H LEU 108 3.757 -2.701 7.198 882 HA LEU 108 HA LEU 108 5.426 -4.911 7.847 883 1HB LEU 108 HB2 LEU 108 4.550 -4.916 5.671 884 2HB LEU 108 HB3 LEU 108 5.020 -3.260 5.375 885 HG LEU 108 HG LEU 108 7.371 -3.928 5.244 886 1HD1 LEU 108 2HD1 LEU 108 7.271 -5.801 6.823 887 2HD1 LEU 108 1HD1 LEU 108 6.360 -6.737 5.638 888 3HD1 LEU 108 3HD1 LEU 108 8.023 -6.262 5.294 889 1HD2 LEU 108 1HD2 LEU 108 5.976 -3.950 3.222 890 2HD2 LEU 108 3HD2 LEU 108 7.269 -5.148 3.160 891 3HD2 LEU 108 2HD2 LEU 108 5.616 -5.653 3.508 892 H HIS 109 H HIS 109 6.892 -4.269 9.394 893 HA HIS 109 HA HIS 109 8.577 -1.977 9.008 894 1HB HIS 109 HB2 HIS 109 8.381 -4.120 11.067 895 2HB HIS 109 HB3 HIS 109 9.804 -3.088 11.011 896 HD1 HIS 109 HD1 HIS 109 9.578 -0.752 11.945 897 HD2 HIS 109 HD2 HIS 109 5.942 -2.743 11.663 898 HE1 HIS 109 HE1 HIS 109 7.918 0.709 13.141 899 HE2 HIS 109 HE2 HIS 109 5.740 -0.555 13.026 900 H LEU 110 H LEU 110 10.663 -1.903 8.415 901 HA LEU 110 HA LEU 110 12.023 -4.339 7.579 902 1HB LEU 110 HB2 LEU 110 11.457 -2.005 5.752 903 2HB LEU 110 HB3 LEU 110 12.555 -3.313 5.369 904 HG LEU 110 HG LEU 110 9.577 -3.598 5.825 905 1HD1 LEU 110 1HD1 LEU 110 11.202 -3.662 3.286 906 2HD1 LEU 110 3HD1 LEU 110 9.482 -4.034 3.413 907 3HD1 LEU 110 2HD1 LEU 110 10.062 -2.406 3.766 908 1HD2 LEU 110 3HD2 LEU 110 10.984 -5.576 6.443 909 2HD2 LEU 110 2HD2 LEU 110 9.812 -5.869 5.159 910 3HD2 LEU 110 1HD2 LEU 110 11.512 -5.640 4.764 911 H ASN 111 H ASN 111 13.863 -4.162 8.735 912 HA ASN 111 HA ASN 111 15.138 -1.588 9.117 913 1HB ASN 111 HB2 ASN 111 15.112 -3.325 10.919 914 2HB ASN 111 HB3 ASN 111 16.124 -4.344 9.903 915 1HD2 ASN 111 1HD2 ASN 111 18.278 -3.852 9.642 916 2HD2 ASN 111 2HD2 ASN 111 19.092 -2.676 10.610 917 H VAL 112 H VAL 112 15.075 -1.608 6.646 918 HA VAL 112 HA VAL 112 16.500 -3.085 4.908 919 HB VAL 112 HB VAL 112 16.735 -0.092 4.774 920 1HG1 VAL 112 3HG1 VAL 112 17.797 -1.407 3.018 921 2HG1 VAL 112 2HG1 VAL 112 16.265 -2.220 2.696 922 3HG1 VAL 112 1HG1 VAL 112 16.429 -0.492 2.384 923 1HG2 VAL 112 1HG2 VAL 112 14.259 -1.755 4.365 924 2HG2 VAL 112 3HG2 VAL 112 14.475 -0.377 5.444 925 3HG2 VAL 112 2HG2 VAL 112 14.458 -0.137 3.697 926 H LYS 113 H LYS 113 18.580 -3.357 4.244 927 HA LYS 113 HA LYS 113 20.653 -2.735 6.124 928 1HB LYS 113 HB2 LYS 113 20.716 -4.091 3.424 929 2HB LYS 113 HB3 LYS 113 22.108 -3.941 4.488 930 1HG LYS 113 HG2 LYS 113 19.548 -5.317 5.260 931 2HG LYS 113 HG3 LYS 113 20.959 -6.141 4.594 932 1HD LYS 113 HD2 LYS 113 22.311 -5.399 6.470 933 2HD LYS 113 HD3 LYS 113 20.943 -4.493 7.121 934 1HE LYS 113 HE2 LYS 113 21.223 -6.614 8.286 935 2HE LYS 113 HE3 LYS 113 19.697 -6.569 7.407 936 1HZ LYS 113 HZ2 LYS 113 22.177 -7.916 6.485 937 2HZ LYS 113 HZ1 LYS 113 20.818 -8.689 7.130 938 3HZ LYS 113 HZ3 LYS 113 20.707 -7.879 5.649 No H/Q in entry = 938 Start of MODEL 16 1 H1 GLY -2 HT1 GLY -2 -11.360 -12.840 -0.964 2 H2 GLY -2 HT3 GLY -2 -10.175 -12.640 0.228 3 H3 GLY -2 HT2 GLY -2 -9.733 -13.121 -1.331 4 1HA GLY -2 HA2 GLY -2 -9.672 -15.002 0.174 5 2HA GLY -2 HA3 GLY -2 -10.896 -15.212 -1.068 6 H SER -1 H SER -1 -10.263 -14.939 2.289 7 HA SER -1 HA SER -1 -13.106 -15.428 2.840 8 1HB SER -1 HB2 SER -1 -11.582 -17.199 3.577 9 2HB SER -1 HB3 SER -1 -10.665 -16.030 4.527 10 HG SER -1 HG SER -1 -12.619 -15.662 5.727 11 H HIS 0 H HIS 0 -10.354 -13.930 4.545 12 HA HIS 0 HA HIS 0 -10.172 -12.056 5.812 13 1HB HIS 0 HB2 HIS 0 -10.915 -10.919 3.759 14 2HB HIS 0 HB3 HIS 0 -12.593 -11.139 4.245 15 HD1 HIS 0 HD1 HIS 0 -13.582 -9.417 5.785 16 HD2 HIS 0 HD2 HIS 0 -9.457 -9.069 5.428 17 HE1 HIS 0 HE1 HIS 0 -12.986 -7.265 6.940 18 HE2 HIS 0 HE2 HIS 0 -10.475 -7.118 6.784 19 H MET 1 H MET 1 -13.690 -11.851 5.529 20 HA MET 1 HA MET 1 -15.352 -11.910 7.077 21 1HB MET 1 HB2 MET 1 -13.526 -13.906 8.426 22 2HB MET 1 HB3 MET 1 -15.224 -13.660 8.809 23 1HG MET 1 HG2 MET 1 -15.835 -14.363 6.550 24 2HG MET 1 HG3 MET 1 -14.132 -14.612 6.170 25 1HE MET 1 HE2 MET 1 -17.188 -15.811 8.316 26 2HE MET 1 HE1 MET 1 -16.464 -17.092 9.288 27 3HE MET 1 HE3 MET 1 -15.994 -15.413 9.552 28 H ILE 2 H ILE 2 -15.548 -12.000 9.743 29 HA ILE 2 HA ILE 2 -13.851 -9.764 10.643 30 HB ILE 2 HB ILE 2 -16.653 -10.422 11.564 31 1HG1 ILE 2 2HG1 ILE 2 -15.706 -8.175 9.770 32 2HG1 ILE 2 3HG1 ILE 2 -16.538 -9.620 9.208 33 1HG2 ILE 2 3HG2 ILE 2 -15.311 -9.327 13.274 34 2HG2 ILE 2 2HG2 ILE 2 -14.877 -8.051 12.136 35 3HG2 ILE 2 1HG2 ILE 2 -16.551 -8.232 12.662 36 1HD1 ILE 2 1HD1 ILE 2 -18.498 -9.001 10.524 37 2HD1 ILE 2 3HD1 ILE 2 -17.664 -7.547 11.073 38 3HD1 ILE 2 2HD1 ILE 2 -18.059 -7.746 9.365 39 H ALA 3 H ALA 3 -15.140 -12.906 11.402 40 HA ALA 3 HA ALA 3 -14.604 -13.023 14.144 41 1HB ALA 3 HB3 ALA 3 -15.947 -14.692 12.960 42 2HB ALA 3 HB2 ALA 3 -14.500 -15.272 12.136 43 3HB ALA 3 HB1 ALA 3 -14.648 -15.446 13.884 44 HA PRO 4 HA PRO 4 -10.201 -13.139 14.465 45 1HB PRO 4 HB2 PRO 4 -10.466 -15.130 16.617 46 2HB PRO 4 HB3 PRO 4 -9.830 -13.484 16.683 47 1HG PRO 4 HG2 PRO 4 -12.189 -14.128 17.788 48 2HG PRO 4 HG3 PRO 4 -11.914 -12.551 17.025 49 1HD PRO 4 HD2 PRO 4 -13.341 -14.956 15.948 50 2HD PRO 4 HD3 PRO 4 -13.782 -13.239 15.833 51 H LEU 5 H LEU 5 -12.004 -15.745 13.456 52 HA LEU 5 HA LEU 5 -10.284 -17.927 13.577 53 1HB LEU 5 HB2 LEU 5 -12.209 -17.194 11.370 54 2HB LEU 5 HB3 LEU 5 -11.494 -18.776 11.602 55 HG LEU 5 HG LEU 5 -13.372 -17.403 13.530 56 1HD1 LEU 5 2HD1 LEU 5 -14.494 -18.112 11.489 57 2HD1 LEU 5 1HD1 LEU 5 -13.814 -19.730 11.664 58 3HD1 LEU 5 3HD1 LEU 5 -14.968 -19.125 12.852 59 1HD2 LEU 5 2HD2 LEU 5 -12.162 -20.165 13.584 60 2HD2 LEU 5 1HD2 LEU 5 -11.790 -18.840 14.686 61 3HD2 LEU 5 3HD2 LEU 5 -13.398 -19.564 14.689 62 H SER 6 H SER 6 -10.264 -15.151 11.454 63 HA SER 6 HA SER 6 -8.199 -16.295 9.758 64 1HB SER 6 HB2 SER 6 -9.948 -14.942 8.704 65 2HB SER 6 HB3 SER 6 -9.505 -13.563 9.710 66 HG SER 6 HG SER 6 -8.223 -14.638 7.491 67 H VAL 7 H VAL 7 -6.084 -15.596 9.653 68 HA VAL 7 HA VAL 7 -4.871 -14.741 12.028 69 HB VAL 7 HB VAL 7 -2.812 -14.471 10.700 70 1HG1 VAL 7 2HG1 VAL 7 -3.460 -16.685 11.484 71 2HG1 VAL 7 1HG1 VAL 7 -4.403 -16.941 10.015 72 3HG1 VAL 7 3HG1 VAL 7 -2.648 -16.786 9.921 73 1HG2 VAL 7 3HG2 VAL 7 -4.612 -14.998 8.337 74 2HG2 VAL 7 2HG2 VAL 7 -3.755 -13.496 8.687 75 3HG2 VAL 7 1HG2 VAL 7 -2.850 -14.957 8.289 76 H LYS 8 H LYS 8 -4.290 -12.788 12.817 77 HA LYS 8 HA LYS 8 -5.075 -10.437 11.258 78 1HB LYS 8 HB2 LYS 8 -5.215 -9.285 13.415 79 2HB LYS 8 HB3 LYS 8 -6.284 -10.670 13.338 80 1HG LYS 8 HG2 LYS 8 -3.574 -10.951 14.549 81 2HG LYS 8 HG3 LYS 8 -4.888 -10.227 15.478 82 1HD LYS 8 HD2 LYS 8 -6.249 -12.235 15.101 83 2HD LYS 8 HD3 LYS 8 -4.917 -12.960 14.199 84 1HE LYS 8 HE2 LYS 8 -3.507 -12.859 16.193 85 2HE LYS 8 HE3 LYS 8 -4.833 -12.128 17.096 86 1HZ LYS 8 HZ3 LYS 8 -4.864 -14.835 15.876 87 2HZ LYS 8 HZ2 LYS 8 -4.670 -14.499 17.522 88 3HZ LYS 8 HZ1 LYS 8 -6.131 -14.134 16.751 89 H ASP 9 H ASP 9 -2.456 -12.160 12.128 90 HA ASP 9 HA ASP 9 -0.454 -10.663 13.088 91 1HB ASP 9 HB2 ASP 9 -0.172 -12.947 12.143 92 2HB ASP 9 HB3 ASP 9 -0.200 -12.250 10.526 93 H ASN 10 H ASN 10 0.290 -8.678 12.741 94 HA ASN 10 HA ASN 10 0.051 -7.551 10.045 95 1HB ASN 10 HB2 ASN 10 -0.182 -5.328 11.403 96 2HB ASN 10 HB3 ASN 10 -1.581 -6.353 11.136 97 1HD2 ASN 10 1HD2 ASN 10 -0.721 -4.377 13.230 98 2HD2 ASN 10 2HD2 ASN 10 -0.993 -5.207 14.715 99 H ASP 11 H ASP 11 1.275 -5.803 12.737 100 HA ASP 11 HA ASP 11 3.445 -4.688 11.678 101 1HB ASP 11 HB2 ASP 11 3.374 -5.754 14.498 102 2HB ASP 11 HB3 ASP 11 4.324 -4.401 13.899 103 H LYS 12 H LYS 12 4.709 -5.789 10.316 104 HA LYS 12 HA LYS 12 6.104 -8.181 11.252 105 1HB LYS 12 HB2 LYS 12 5.461 -7.028 8.601 106 2HB LYS 12 HB3 LYS 12 6.998 -7.872 8.730 107 1HG LYS 12 HG2 LYS 12 5.527 -9.732 9.843 108 2HG LYS 12 HG3 LYS 12 4.225 -8.925 8.965 109 1HD LYS 12 HD2 LYS 12 5.128 -10.722 7.616 110 2HD LYS 12 HD3 LYS 12 5.517 -9.167 6.877 111 1HE LYS 12 HE2 LYS 12 7.766 -9.270 7.854 112 2HE LYS 12 HE3 LYS 12 7.374 -10.832 8.574 113 1HZ LYS 12 HZ3 LYS 12 7.066 -11.739 6.356 114 2HZ LYS 12 HZ2 LYS 12 7.442 -10.242 5.664 115 3HZ LYS 12 HZ1 LYS 12 8.621 -11.095 6.527 116 H TRP 13 H TRP 13 7.546 -7.203 12.704 117 HA TRP 13 HA TRP 13 9.300 -5.104 11.878 118 1HB TRP 13 HB2 TRP 13 9.681 -6.830 14.305 119 2HB TRP 13 HB3 TRP 13 10.084 -5.135 14.074 120 HD1 TRP 13 HD1 TRP 13 7.032 -7.402 14.657 121 HE1 TRP 13 HE1 TRP 13 5.114 -5.977 15.608 122 HE3 TRP 13 HE3 TRP 13 9.214 -2.785 14.354 123 HZ2 TRP 13 HZ2 TRP 13 4.573 -3.254 16.142 124 HZ3 TRP 13 HZ3 TRP 13 7.933 -0.825 15.115 125 HH2 TRP 13 HH2 TRP 13 5.668 -1.057 15.996 126 H VAL 14 H VAL 14 10.617 -5.690 10.201 127 HA VAL 14 HA VAL 14 12.649 -7.704 10.834 128 HB VAL 14 HB VAL 14 12.445 -8.779 8.609 129 1HG1 VAL 14 3HG1 VAL 14 11.491 -9.853 10.573 130 2HG1 VAL 14 2HG1 VAL 14 9.983 -8.969 10.339 131 3HG1 VAL 14 1HG1 VAL 14 10.499 -10.162 9.149 132 1HG2 VAL 14 3HG2 VAL 14 9.875 -7.209 8.445 133 2HG2 VAL 14 2HG2 VAL 14 11.295 -7.015 7.415 134 3HG2 VAL 14 1HG2 VAL 14 10.351 -8.503 7.345 135 H ASP 15 H ASP 15 14.018 -7.885 8.558 136 HA ASP 15 HA ASP 15 14.815 -5.111 7.975 137 1HB ASP 15 HB2 ASP 15 17.072 -5.854 7.793 138 2HB ASP 15 HB3 ASP 15 16.422 -6.572 9.266 139 H THR 16 H THR 16 16.315 -5.240 5.816 140 HA THR 16 HA THR 16 15.509 -7.025 3.782 141 HB THR 16 HB THR 16 13.393 -5.606 4.198 142 HG1 THR 16 HG1 THR 16 14.292 -5.534 1.516 143 1HG2 THR 16 1HG2 THR 16 14.566 -3.429 4.246 144 2HG2 THR 16 3HG2 THR 16 14.966 -3.638 2.542 145 3HG2 THR 16 2HG2 THR 16 13.282 -3.488 3.040 146 H HIS 17 H HIS 17 15.789 -5.714 1.504 147 HA HIS 17 HA HIS 17 18.361 -4.294 1.737 148 1HB HIS 17 HB2 HIS 17 17.381 -6.080 -0.501 149 2HB HIS 17 HB3 HIS 17 18.901 -5.192 -0.505 150 HD1 HIS 17 HD1 HIS 17 17.444 -8.374 0.470 151 HD2 HIS 17 HD2 HIS 17 20.734 -6.099 1.596 152 HE1 HIS 17 HE1 HIS 17 18.961 -9.952 1.706 153 HE2 HIS 17 HE2 HIS 17 20.904 -8.533 2.454 154 H VAL 18 H VAL 18 18.661 -3.248 -0.730 155 HA VAL 18 HA VAL 18 16.732 -1.120 -0.697 156 HB VAL 18 HB VAL 18 19.082 -0.629 -1.128 157 1HG1 VAL 18 3HG1 VAL 18 19.697 -2.663 -2.313 158 2HG1 VAL 18 2HG1 VAL 18 18.695 -2.184 -3.684 159 3HG1 VAL 18 1HG1 VAL 18 20.123 -1.238 -3.261 160 1HG2 VAL 18 1HG2 VAL 18 17.377 0.891 -1.996 161 2HG2 VAL 18 3HG2 VAL 18 18.786 0.842 -3.057 162 3HG2 VAL 18 2HG2 VAL 18 17.319 -0.028 -3.502 163 H GLY 19 H GLY 19 15.104 -0.707 -2.031 164 1HA GLY 19 HA3 GLY 19 14.764 -1.627 -4.654 165 2HA GLY 19 HA2 GLY 19 13.500 -0.988 -3.623 166 H LYS 20 H LYS 20 14.369 -3.386 -1.751 167 HA LYS 20 HA LYS 20 13.658 -5.752 -3.037 168 1HB LYS 20 HB2 LYS 20 14.516 -5.191 -0.570 169 2HB LYS 20 HB3 LYS 20 12.813 -5.373 -0.211 170 1HG LYS 20 HG2 LYS 20 13.638 -7.491 0.150 171 2HG LYS 20 HG3 LYS 20 13.014 -7.597 -1.501 172 1HD LYS 20 HD2 LYS 20 15.152 -7.437 -2.437 173 2HD LYS 20 HD3 LYS 20 15.840 -6.826 -0.933 174 1HE LYS 20 HE2 LYS 20 14.822 -9.623 -1.437 175 2HE LYS 20 HE3 LYS 20 16.513 -9.139 -1.304 176 1HZ LYS 20 HZ1 LYS 20 16.091 -8.469 0.988 177 2HZ LYS 20 HZ3 LYS 20 14.482 -8.972 0.857 178 3HZ LYS 20 HZ2 LYS 20 15.733 -10.105 0.754 179 H THR 21 H THR 21 11.939 -5.217 -4.440 180 HA THR 21 HA THR 21 9.522 -4.046 -3.731 181 HB THR 21 HB THR 21 9.671 -6.222 -5.799 182 HG1 THR 21 HG1 THR 21 11.496 -4.830 -6.073 183 1HG2 THR 21 2HG2 THR 21 7.499 -5.148 -5.331 184 2HG2 THR 21 1HG2 THR 21 8.207 -3.580 -5.710 185 3HG2 THR 21 3HG2 THR 21 8.068 -4.811 -6.966 186 H THR 22 H THR 22 8.505 -4.733 -1.934 187 HA THR 22 HA THR 22 7.956 -7.590 -1.612 188 HB THR 22 HB THR 22 7.452 -5.288 0.291 189 HG1 THR 22 HG1 THR 22 9.393 -5.704 1.048 190 1HG2 THR 22 3HG2 THR 22 7.187 -8.271 0.694 191 2HG2 THR 22 2HG2 THR 22 7.061 -7.057 1.967 192 3HG2 THR 22 1HG2 THR 22 5.870 -7.098 0.668 193 H GLU 23 H GLU 23 6.288 -8.180 -2.829 194 HA GLU 23 HA GLU 23 4.038 -6.513 -3.347 195 1HB GLU 23 HB2 GLU 23 4.904 -8.211 -4.932 196 2HB GLU 23 HB3 GLU 23 4.408 -9.474 -3.814 197 1HG GLU 23 HG2 GLU 23 2.093 -8.871 -4.074 198 2HG GLU 23 HG3 GLU 23 2.545 -7.479 -5.058 199 H ILE 24 H ILE 24 2.473 -6.139 -1.969 200 HA ILE 24 HA ILE 24 1.778 -8.234 -0.024 201 HB ILE 24 HB ILE 24 1.342 -5.269 0.191 202 1HG1 ILE 24 2HG1 ILE 24 3.281 -7.053 1.673 203 2HG1 ILE 24 3HG1 ILE 24 3.720 -5.946 0.375 204 1HG2 ILE 24 2HG2 ILE 24 -0.386 -6.565 1.325 205 2HG2 ILE 24 1HG2 ILE 24 0.854 -7.468 2.194 206 3HG2 ILE 24 3HG2 ILE 24 0.651 -5.741 2.490 207 1HD1 ILE 24 3HD1 ILE 24 2.552 -5.164 3.032 208 2HD1 ILE 24 2HD1 ILE 24 4.240 -5.009 2.548 209 3HD1 ILE 24 1HD1 ILE 24 2.999 -4.059 1.733 210 H HIS 25 H HIS 25 0.179 -9.311 -1.023 211 HA HIS 25 HA HIS 25 -2.090 -7.819 -2.114 212 1HB HIS 25 HB2 HIS 25 -1.095 -10.631 -2.434 213 2HB HIS 25 HB3 HIS 25 -2.769 -10.246 -2.791 214 HD1 HIS 25 HD1 HIS 25 -2.519 -10.684 -5.302 215 HD2 HIS 25 HD2 HIS 25 0.063 -7.771 -3.848 216 HE1 HIS 25 HE1 HIS 25 -1.537 -9.580 -7.338 217 HE2 HIS 25 HE2 HIS 25 -0.043 -7.765 -6.433 218 H LEU 26 H LEU 26 -3.458 -7.284 -0.520 219 HA LEU 26 HA LEU 26 -3.924 -9.191 1.659 220 1HB LEU 26 HB2 LEU 26 -4.871 -6.350 1.343 221 2HB LEU 26 HB3 LEU 26 -5.038 -7.335 2.783 222 HG LEU 26 HG LEU 26 -2.363 -6.565 1.616 223 1HD1 LEU 26 1HD1 LEU 26 -3.939 -5.215 3.802 224 2HD1 LEU 26 3HD1 LEU 26 -2.257 -4.874 3.397 225 3HD1 LEU 26 2HD1 LEU 26 -3.531 -4.535 2.227 226 1HD2 LEU 26 2HD2 LEU 26 -2.413 -8.546 3.083 227 2HD2 LEU 26 1HD2 LEU 26 -1.502 -7.207 3.780 228 3HD2 LEU 26 3HD2 LEU 26 -3.130 -7.559 4.357 229 H LYS 27 H LYS 27 -6.172 -9.484 2.424 230 HA LYS 27 HA LYS 27 -7.973 -9.779 0.126 231 1HB LYS 27 HB2 LYS 27 -8.315 -11.027 2.848 232 2HB LYS 27 HB3 LYS 27 -9.113 -11.476 1.350 233 1HG LYS 27 HG2 LYS 27 -6.157 -11.761 1.835 234 2HG LYS 27 HG3 LYS 27 -7.337 -13.054 2.058 235 1HD LYS 27 HD2 LYS 27 -7.970 -12.876 -0.304 236 2HD LYS 27 HD3 LYS 27 -6.781 -11.590 -0.523 237 1HE LYS 27 HE2 LYS 27 -6.188 -14.430 0.299 238 2HE LYS 27 HE3 LYS 27 -5.924 -13.741 -1.303 239 1HZ LYS 27 HZ2 LYS 27 -4.341 -12.192 -0.333 240 2HZ LYS 27 HZ1 LYS 27 -4.592 -12.859 1.200 241 3HZ LYS 27 HZ3 LYS 27 -3.882 -13.790 -0.022 242 H GLY 28 H GLY 28 -10.317 -9.461 0.591 243 1HA GLY 28 HA3 GLY 28 -10.625 -6.953 2.084 244 2HA GLY 28 HA2 GLY 28 -11.694 -8.289 2.470 245 H ASN 29 H ASN 29 -12.220 -5.583 1.350 246 HA ASN 29 HA ASN 29 -12.932 -5.797 -1.371 247 1HB ASN 29 HB2 ASN 29 -15.440 -5.856 -1.006 248 2HB ASN 29 HB3 ASN 29 -14.596 -7.380 -0.748 249 1HD2 ASN 29 1HD2 ASN 29 -17.165 -6.386 0.275 250 2HD2 ASN 29 2HD2 ASN 29 -17.056 -6.502 1.995 251 HA PRO 30 HA PRO 30 -13.387 -1.458 -0.477 252 1HB PRO 30 HB2 PRO 30 -14.007 -0.563 -2.919 253 2HB PRO 30 HB3 PRO 30 -12.407 -1.227 -2.569 254 1HG PRO 30 HG2 PRO 30 -14.745 -2.523 -3.919 255 2HG PRO 30 HG3 PRO 30 -13.028 -2.585 -4.354 256 1HD PRO 30 HD2 PRO 30 -14.343 -4.558 -2.960 257 2HD PRO 30 HD3 PRO 30 -12.595 -4.273 -2.872 258 H THR 31 H THR 31 -15.919 -3.531 -1.195 259 HA THR 31 HA THR 31 -17.993 -1.548 -1.492 260 HB THR 31 HB THR 31 -19.547 -3.462 -1.413 261 HG1 THR 31 HG1 THR 31 -18.859 -5.449 -0.903 262 1HG2 THR 31 1HG2 THR 31 -18.530 -2.826 -3.546 263 2HG2 THR 31 3HG2 THR 31 -17.166 -3.896 -3.220 264 3HG2 THR 31 2HG2 THR 31 -18.778 -4.570 -3.460 265 H THR 32 H THR 32 -16.854 -3.728 1.062 266 HA THR 32 HA THR 32 -18.865 -3.331 2.929 267 HB THR 32 HB THR 32 -17.281 -5.013 3.413 268 HG1 THR 32 HG1 THR 32 -16.389 -3.162 5.309 269 1HG2 THR 32 2HG2 THR 32 -15.179 -2.851 3.323 270 2HG2 THR 32 1HG2 THR 32 -14.892 -4.509 3.852 271 3HG2 THR 32 3HG2 THR 32 -15.377 -4.186 2.187 272 H GLY 33 H GLY 33 -15.945 -1.382 2.360 273 1HA GLY 33 HA3 GLY 33 -16.874 0.543 4.367 274 2HA GLY 33 HA2 GLY 33 -16.732 1.093 2.707 275 H TYR 34 H TYR 34 -14.763 -0.691 5.096 276 HA TYR 34 HA TYR 34 -12.731 1.232 5.211 277 1HB TYR 34 HB2 TYR 34 -12.707 -1.710 5.875 278 2HB TYR 34 HB3 TYR 34 -11.343 -0.641 6.188 279 HD1 TYR 34 HD1 TYR 34 -14.865 -1.332 7.062 280 HD2 TYR 34 HD2 TYR 34 -11.329 0.817 8.079 281 HE1 TYR 34 HE1 TYR 34 -15.867 -0.715 9.221 282 HE2 TYR 34 HE2 TYR 34 -12.326 1.436 10.238 283 HH TYR 34 HH TYR 34 -15.133 -0.025 11.461 284 H MET 35 H MET 35 -10.366 0.517 4.758 285 HA MET 35 HA MET 35 -10.014 -0.759 2.178 286 1HB MET 35 HB2 MET 35 -10.143 1.360 1.277 287 2HB MET 35 HB3 MET 35 -9.653 2.137 2.776 288 1HG MET 35 HG2 MET 35 -7.344 1.310 2.375 289 2HG MET 35 HG3 MET 35 -7.883 0.727 0.816 290 1HE MET 35 HE2 MET 35 -9.881 2.904 -0.169 291 2HE MET 35 HE1 MET 35 -8.843 4.032 -1.041 292 3HE MET 35 HE3 MET 35 -8.602 2.295 -1.218 293 H TRP 36 H TRP 36 -7.818 -1.343 1.805 294 HA TRP 36 HA TRP 36 -6.180 -1.342 4.248 295 1HB TRP 36 HB2 TRP 36 -6.817 -3.399 2.277 296 2HB TRP 36 HB3 TRP 36 -5.095 -3.237 2.579 297 HD1 TRP 36 HD1 TRP 36 -7.841 -5.224 3.729 298 HE1 TRP 36 HE1 TRP 36 -7.490 -6.087 6.132 299 HE3 TRP 36 HE3 TRP 36 -4.036 -2.129 5.152 300 HZ2 TRP 36 HZ2 TRP 36 -5.820 -5.525 8.331 301 HZ3 TRP 36 HZ3 TRP 36 -3.117 -2.356 7.418 302 HH2 TRP 36 HH2 TRP 36 -3.996 -4.019 8.973 303 H THR 37 H THR 37 -5.101 0.588 3.905 304 HA THR 37 HA THR 37 -3.213 0.548 1.646 305 HB THR 37 HB THR 37 -5.148 2.065 1.142 306 HG1 THR 37 HG1 THR 37 -2.963 3.777 1.404 307 1HG2 THR 37 1HG2 THR 37 -5.531 2.847 3.449 308 2HG2 THR 37 3HG2 THR 37 -3.988 3.701 3.407 309 3HG2 THR 37 2HG2 THR 37 -5.297 4.191 2.330 310 H ARG 38 H ARG 38 -1.939 3.013 2.232 311 HA ARG 38 HA ARG 38 -0.387 2.210 4.536 312 1HB ARG 38 HB2 ARG 38 0.098 3.698 2.159 313 2HB ARG 38 HB3 ARG 38 0.443 4.743 3.520 314 1HG ARG 38 HG2 ARG 38 2.081 3.322 4.358 315 2HG ARG 38 HG3 ARG 38 1.571 1.996 3.313 316 1HD ARG 38 HD2 ARG 38 3.555 2.946 2.405 317 2HD ARG 38 HD3 ARG 38 2.235 3.357 1.352 318 HE ARG 38 HE ARG 38 2.356 5.602 2.204 319 1HH1 ARG 38 1HH1 ARG 38 4.954 3.484 3.155 320 2HH1 ARG 38 2HH1 ARG 38 6.072 4.773 3.455 321 1HH2 ARG 38 1HH2 ARG 38 3.839 7.309 2.581 322 2HH2 ARG 38 2HH2 ARG 38 5.438 6.942 3.131 323 H VAL 39 H VAL 39 0.015 3.519 6.366 324 HA VAL 39 HA VAL 39 -2.299 4.895 7.317 325 HB VAL 39 HB VAL 39 0.411 4.901 8.632 326 1HG1 VAL 39 3HG1 VAL 39 -1.237 6.405 9.600 327 2HG1 VAL 39 2HG1 VAL 39 -2.389 5.076 9.739 328 3HG1 VAL 39 1HG1 VAL 39 -0.905 5.060 10.693 329 1HG2 VAL 39 3HG2 VAL 39 -1.693 2.750 8.640 330 2HG2 VAL 39 2HG2 VAL 39 -0.001 2.615 8.154 331 3HG2 VAL 39 1HG2 VAL 39 -0.413 2.865 9.849 332 H GLY 40 H GLY 40 -2.757 7.002 7.305 333 1HA GLY 40 HA3 GLY 40 -0.675 9.006 7.179 334 2HA GLY 40 HA2 GLY 40 -2.404 9.300 7.290 335 H PHE 41 H PHE 41 -2.460 7.256 4.898 336 HA PHE 41 HA PHE 41 -2.171 9.343 2.857 337 1HB PHE 41 HB2 PHE 41 -1.171 6.501 2.596 338 2HB PHE 41 HB3 PHE 41 -1.172 7.704 1.309 339 HD1 PHE 41 HD1 PHE 41 0.513 6.433 4.205 340 HD2 PHE 41 HD2 PHE 41 0.240 9.754 1.568 341 HE1 PHE 41 HE1 PHE 41 2.699 7.240 5.005 342 HE2 PHE 41 HE2 PHE 41 2.428 10.568 2.352 343 HZ PHE 41 HZ PHE 41 3.659 9.311 4.076 344 H VAL 42 H VAL 42 -4.150 7.382 4.413 345 HA VAL 42 HA VAL 42 -5.643 5.910 2.650 346 HB VAL 42 HB VAL 42 -6.133 5.913 5.021 347 1HG1 VAL 42 1HG1 VAL 42 -7.152 8.722 4.603 348 2HG1 VAL 42 3HG1 VAL 42 -7.300 7.786 6.090 349 3HG1 VAL 42 2HG1 VAL 42 -5.707 8.260 5.502 350 1HG2 VAL 42 2HG2 VAL 42 -8.443 6.822 3.318 351 2HG2 VAL 42 1HG2 VAL 42 -7.920 5.166 3.620 352 3HG2 VAL 42 3HG2 VAL 42 -8.614 6.123 4.928 353 H GLY 43 H GLY 43 -7.039 6.295 1.024 354 1HA GLY 43 HA3 GLY 43 -8.319 8.875 0.721 355 2HA GLY 43 HA2 GLY 43 -8.557 7.465 -0.298 356 H LYS 44 H LYS 44 -5.432 8.906 0.460 357 HA LYS 44 HA LYS 44 -5.173 10.560 -1.772 358 1HB LYS 44 HB2 LYS 44 -2.997 9.075 -0.295 359 2HB LYS 44 HB3 LYS 44 -2.772 10.473 -1.328 360 1HG LYS 44 HG2 LYS 44 -4.210 11.777 0.229 361 2HG LYS 44 HG3 LYS 44 -4.221 10.377 1.304 362 1HD LYS 44 HD2 LYS 44 -1.786 10.485 1.476 363 2HD LYS 44 HD3 LYS 44 -1.766 11.876 0.390 364 1HE LYS 44 HE2 LYS 44 -1.579 12.560 2.731 365 2HE LYS 44 HE3 LYS 44 -3.058 13.171 1.991 366 1HZ LYS 44 HZ1 LYS 44 -2.876 10.774 3.736 367 2HZ LYS 44 HZ3 LYS 44 -3.454 12.292 4.212 368 3HZ LYS 44 HZ2 LYS 44 -4.292 11.394 3.049 369 H ASP 45 H ASP 45 -3.637 10.223 -3.597 370 HA ASP 45 HA ASP 45 -4.276 7.757 -4.945 371 1HB ASP 45 HB2 ASP 45 -2.824 10.268 -5.777 372 2HB ASP 45 HB3 ASP 45 -3.016 8.879 -6.833 373 H VAL 46 H VAL 46 -1.446 9.377 -3.623 374 HA VAL 46 HA VAL 46 0.099 6.911 -4.085 375 HB VAL 46 HB VAL 46 0.893 9.766 -4.420 376 1HG1 VAL 46 1HG1 VAL 46 2.777 7.575 -3.558 377 2HG1 VAL 46 3HG1 VAL 46 3.287 9.112 -4.257 378 3HG1 VAL 46 2HG1 VAL 46 2.440 9.085 -2.710 379 1HG2 VAL 46 3HG2 VAL 46 0.370 8.340 -6.346 380 2HG2 VAL 46 2HG2 VAL 46 2.052 8.873 -6.358 381 3HG2 VAL 46 1HG2 VAL 46 1.651 7.229 -5.857 382 H LEU 47 H LEU 47 0.875 5.938 -2.362 383 HA LEU 47 HA LEU 47 0.512 7.157 0.248 384 1HB LEU 47 HB2 LEU 47 1.663 4.446 -0.170 385 2HB LEU 47 HB3 LEU 47 0.651 5.028 1.132 386 HG LEU 47 HG LEU 47 -0.304 4.517 -1.684 387 1HD1 LEU 47 3HD1 LEU 47 0.371 2.454 -0.505 388 2HD1 LEU 47 2HD1 LEU 47 -0.748 2.862 0.795 389 3HD1 LEU 47 1HD1 LEU 47 -1.364 2.529 -0.823 390 1HD2 LEU 47 1HD2 LEU 47 -1.794 5.185 0.848 391 2HD2 LEU 47 3HD2 LEU 47 -1.614 6.216 -0.572 392 3HD2 LEU 47 2HD2 LEU 47 -2.541 4.718 -0.680 393 H SER 48 H SER 48 3.095 5.586 -1.590 394 HA SER 48 HA SER 48 5.236 5.982 0.087 395 1HB SER 48 HB2 SER 48 6.605 5.597 -1.820 396 2HB SER 48 HB3 SER 48 5.128 4.680 -2.085 397 HG SER 48 HG SER 48 4.407 6.325 -3.453 398 H ASP 49 H ASP 49 7.205 7.418 -1.046 399 HA ASP 49 HA ASP 49 6.437 10.066 -1.779 400 1HB ASP 49 HB2 ASP 49 6.124 9.752 0.854 401 2HB ASP 49 HB3 ASP 49 7.858 10.082 0.833 402 H GLU 50 H GLU 50 9.120 9.091 0.300 403 HA GLU 50 HA GLU 50 10.955 9.288 -1.975 404 1HB GLU 50 HB2 GLU 50 12.433 10.740 -0.739 405 2HB GLU 50 HB3 GLU 50 10.827 11.457 -0.792 406 1HG GLU 50 HG2 GLU 50 10.381 10.724 1.465 407 2HG GLU 50 HG3 GLU 50 11.956 9.934 1.540 408 H ILE 51 H ILE 51 10.332 8.212 1.307 409 HA ILE 51 HA ILE 51 12.777 6.807 1.667 410 HB ILE 51 HB ILE 51 10.155 6.265 3.051 411 1HG1 ILE 51 2HG1 ILE 51 10.769 8.674 3.106 412 2HG1 ILE 51 3HG1 ILE 51 10.785 7.917 4.693 413 1HG2 ILE 51 1HG2 ILE 51 13.019 5.792 3.862 414 2HG2 ILE 51 3HG2 ILE 51 11.619 5.548 4.907 415 3HG2 ILE 51 2HG2 ILE 51 11.817 4.566 3.456 416 1HD1 ILE 51 1HD1 ILE 51 13.222 8.436 3.008 417 2HD1 ILE 51 3HD1 ILE 51 12.672 9.447 4.345 418 3HD1 ILE 51 2HD1 ILE 51 13.195 7.790 4.649 419 H LEU 52 H LEU 52 9.592 5.281 1.721 420 HA LEU 52 HA LEU 52 10.716 2.998 0.259 421 1HB LEU 52 HB2 LEU 52 8.469 3.355 2.187 422 2HB LEU 52 HB3 LEU 52 8.374 2.042 1.031 423 HG LEU 52 HG LEU 52 10.781 2.379 2.793 424 1HD1 LEU 52 3HD1 LEU 52 8.240 0.896 3.449 425 2HD1 LEU 52 2HD1 LEU 52 9.746 0.806 4.363 426 3HD1 LEU 52 1HD1 LEU 52 8.856 2.327 4.275 427 1HD2 LEU 52 1HD2 LEU 52 10.721 0.846 0.766 428 2HD2 LEU 52 3HD2 LEU 52 11.193 0.119 2.301 429 3HD2 LEU 52 2HD2 LEU 52 9.564 -0.127 1.672 430 H GLU 53 H GLU 53 10.300 2.851 -1.866 431 HA GLU 53 HA GLU 53 8.299 4.390 -3.162 432 1HB GLU 53 HB2 GLU 53 10.393 2.517 -3.923 433 2HB GLU 53 HB3 GLU 53 8.945 2.321 -4.901 434 1HG GLU 53 HG2 GLU 53 9.848 5.081 -4.488 435 2HG GLU 53 HG3 GLU 53 10.920 4.054 -5.436 436 H VAL 54 H VAL 54 6.589 3.643 -1.632 437 HA VAL 54 HA VAL 54 5.554 1.004 -1.833 438 HB VAL 54 HB VAL 54 4.074 3.447 -0.871 439 1HG1 VAL 54 1HG1 VAL 54 2.742 1.412 -1.271 440 2HG1 VAL 54 3HG1 VAL 54 3.783 0.535 -0.148 441 3HG1 VAL 54 2HG1 VAL 54 2.787 1.869 0.432 442 1HG2 VAL 54 1HG2 VAL 54 6.379 3.023 0.175 443 2HG2 VAL 54 3HG2 VAL 54 5.000 3.203 1.256 444 3HG2 VAL 54 2HG2 VAL 54 5.635 1.600 0.899 445 H VAL 55 H VAL 55 5.326 0.715 -4.109 446 HA VAL 55 HA VAL 55 3.423 2.328 -5.556 447 HB VAL 55 HB VAL 55 4.612 -0.319 -6.373 448 1HG1 VAL 55 1HG1 VAL 55 2.610 0.373 -7.610 449 2HG1 VAL 55 3HG1 VAL 55 3.397 1.899 -8.014 450 3HG1 VAL 55 2HG1 VAL 55 4.048 0.381 -8.633 451 1HG2 VAL 55 1HG2 VAL 55 6.395 1.278 -5.894 452 2HG2 VAL 55 3HG2 VAL 55 6.270 0.988 -7.630 453 3HG2 VAL 55 2HG2 VAL 55 5.617 2.471 -6.934 454 H CYS 56 H CYS 56 1.522 2.124 -4.478 455 HA CYS 56 HA CYS 56 0.434 -0.509 -3.918 456 1HB CYS 56 HB2 CYS 56 0.217 1.215 -2.206 457 2HB CYS 56 HB3 CYS 56 -0.668 2.239 -3.333 458 HG CYS 56 HG CYS 56 -3.012 1.151 -3.064 459 H LYS 57 H LYS 57 -1.026 -1.514 -5.078 460 HA LYS 57 HA LYS 57 -2.514 -0.017 -7.121 461 1HB LYS 57 HB2 LYS 57 -1.614 -2.870 -7.374 462 2HB LYS 57 HB3 LYS 57 -2.340 -1.871 -8.615 463 1HG LYS 57 HG2 LYS 57 -0.356 -0.441 -8.631 464 2HG LYS 57 HG3 LYS 57 0.381 -1.462 -7.393 465 1HD LYS 57 HD2 LYS 57 0.310 -3.371 -8.916 466 2HD LYS 57 HD3 LYS 57 -0.447 -2.364 -10.152 467 1HE LYS 57 HE2 LYS 57 2.292 -1.941 -8.961 468 2HE LYS 57 HE3 LYS 57 1.953 -2.627 -10.550 469 1HZ LYS 57 HZ1 LYS 57 0.931 -0.535 -11.197 470 2HZ LYS 57 HZ3 LYS 57 1.260 0.124 -9.674 471 3HZ LYS 57 HZ2 LYS 57 2.532 -0.292 -10.708 472 H TYR 58 H TYR 58 -4.127 0.167 -5.503 473 HA TYR 58 HA TYR 58 -5.386 -2.025 -4.252 474 1HB TYR 58 HB2 TYR 58 -5.571 0.378 -3.525 475 2HB TYR 58 HB3 TYR 58 -6.608 0.671 -4.916 476 HD1 TYR 58 HD1 TYR 58 -6.841 0.604 -1.618 477 HD2 TYR 58 HD2 TYR 58 -8.432 -1.603 -4.912 478 HE1 TYR 58 HE1 TYR 58 -8.824 0.000 -0.288 479 HE2 TYR 58 HE2 TYR 58 -10.391 -2.218 -3.573 480 HH TYR 58 HH TYR 58 -11.017 -2.410 -1.207 481 H THR 59 H THR 59 -6.559 -3.578 -5.175 482 HA THR 59 HA THR 59 -7.751 -3.087 -7.811 483 HB THR 59 HB THR 59 -7.390 -5.753 -6.411 484 HG1 THR 59 HG1 THR 59 -5.347 -5.017 -6.846 485 1HG2 THR 59 1HG2 THR 59 -9.122 -5.733 -8.142 486 2HG2 THR 59 3HG2 THR 59 -7.974 -5.045 -9.290 487 3HG2 THR 59 2HG2 THR 59 -7.722 -6.672 -8.659 488 HA PRO 60 HA PRO 60 -11.612 -3.224 -5.451 489 1HB PRO 60 HB2 PRO 60 -12.673 -1.003 -6.404 490 2HB PRO 60 HB3 PRO 60 -11.261 -0.915 -5.345 491 1HG PRO 60 HG2 PRO 60 -11.455 -0.521 -8.286 492 2HG PRO 60 HG3 PRO 60 -10.320 0.196 -7.129 493 1HD PRO 60 HD2 PRO 60 -9.929 -2.113 -8.808 494 2HD PRO 60 HD3 PRO 60 -8.793 -1.383 -7.656 495 H THR 61 H THR 61 -10.972 -3.675 -8.701 496 HA THR 61 HA THR 61 -13.540 -3.529 -9.852 497 HB THR 61 HB THR 61 -11.786 -5.585 -10.999 498 HG1 THR 61 HG1 THR 61 -10.865 -2.896 -11.014 499 1HG2 THR 61 2HG2 THR 61 -12.992 -3.025 -12.049 500 2HG2 THR 61 1HG2 THR 61 -12.139 -4.220 -13.026 501 3HG2 THR 61 3HG2 THR 61 -13.654 -4.649 -12.233 502 HA PRO 62 HA PRO 62 -15.621 -7.043 -8.134 503 1HB PRO 62 HB2 PRO 62 -16.897 -7.318 -10.796 504 2HB PRO 62 HB3 PRO 62 -17.640 -7.104 -9.208 505 1HG PRO 62 HG2 PRO 62 -17.577 -5.106 -10.976 506 2HG PRO 62 HG3 PRO 62 -17.360 -4.805 -9.241 507 1HD PRO 62 HD2 PRO 62 -15.311 -4.912 -11.420 508 2HD PRO 62 HD3 PRO 62 -15.423 -3.812 -10.031 509 H SER 63 H SER 63 -16.253 -9.356 -8.857 510 HA SER 63 HA SER 63 -14.136 -10.491 -10.557 511 1HB SER 63 HB2 SER 63 -13.535 -10.845 -8.203 512 2HB SER 63 HB3 SER 63 -15.098 -11.608 -7.911 513 HG SER 63 HG SER 63 -13.158 -12.545 -9.760 514 H SER 64 H SER 64 -14.662 -12.854 -11.102 515 HA SER 64 HA SER 64 -17.149 -12.913 -12.451 516 1HB SER 64 HB2 SER 64 -15.203 -15.166 -11.896 517 2HB SER 64 HB3 SER 64 -16.527 -15.224 -13.059 518 HG SER 64 HG SER 64 -14.910 -14.583 -14.306 519 H THR 65 H THR 65 -15.993 -14.380 -9.463 520 HA THR 65 HA THR 65 -18.698 -14.721 -8.552 521 HB THR 65 HB THR 65 -16.969 -17.178 -8.846 522 HG1 THR 65 HG1 THR 65 -17.884 -16.881 -10.804 523 1HG2 THR 65 3HG2 THR 65 -19.758 -16.852 -7.734 524 2HG2 THR 65 2HG2 THR 65 -18.920 -18.384 -7.978 525 3HG2 THR 65 1HG2 THR 65 -18.307 -17.222 -6.801 526 HA PRO 66 HA PRO 66 -15.612 -15.648 -4.961 527 1HB PRO 66 HB2 PRO 66 -12.934 -15.211 -6.038 528 2HB PRO 66 HB3 PRO 66 -13.582 -16.628 -5.209 529 1HG PRO 66 HG2 PRO 66 -12.961 -16.649 -7.840 530 2HG PRO 66 HG3 PRO 66 -14.286 -17.615 -7.164 531 1HD PRO 66 HD2 PRO 66 -14.406 -14.985 -8.604 532 2HD PRO 66 HD3 PRO 66 -15.443 -16.415 -8.798 533 H MET 67 H MET 67 -13.283 -14.266 -4.223 534 HA MET 67 HA MET 67 -13.784 -11.461 -4.883 535 1HB MET 67 HB2 MET 67 -13.744 -12.538 -2.055 536 2HB MET 67 HB3 MET 67 -13.780 -10.835 -2.491 537 1HG MET 67 HG2 MET 67 -15.956 -11.144 -3.546 538 2HG MET 67 HG3 MET 67 -15.918 -12.856 -3.129 539 1HE MET 67 HE3 MET 67 -18.294 -12.628 -1.983 540 2HE MET 67 HE2 MET 67 -18.672 -11.449 -0.728 541 3HE MET 67 HE1 MET 67 -18.345 -10.909 -2.375 542 H VAL 68 H VAL 68 -11.698 -13.641 -5.193 543 HA VAL 68 HA VAL 68 -9.433 -12.238 -3.942 544 HB VAL 68 HB VAL 68 -9.790 -14.633 -3.294 545 1HG1 VAL 68 1HG1 VAL 68 -10.591 -15.470 -5.435 546 2HG1 VAL 68 3HG1 VAL 68 -9.014 -15.158 -6.161 547 3HG1 VAL 68 2HG1 VAL 68 -9.177 -16.376 -4.896 548 1HG2 VAL 68 3HG2 VAL 68 -7.604 -13.572 -3.075 549 2HG2 VAL 68 2HG2 VAL 68 -7.432 -15.267 -3.533 550 3HG2 VAL 68 1HG2 VAL 68 -7.217 -14.001 -4.742 551 H GLY 69 H GLY 69 -7.578 -11.811 -5.181 552 1HA GLY 69 HA3 GLY 69 -7.607 -12.425 -8.024 553 2HA GLY 69 HA2 GLY 69 -6.298 -11.661 -7.133 554 H VAL 70 H VAL 70 -9.719 -10.740 -7.395 555 HA VAL 70 HA VAL 70 -8.942 -8.030 -7.987 556 HB VAL 70 HB VAL 70 -8.909 -8.924 -10.212 557 1HG1 VAL 70 2HG1 VAL 70 -10.305 -10.911 -9.775 558 2HG1 VAL 70 1HG1 VAL 70 -11.733 -9.878 -9.778 559 3HG1 VAL 70 3HG1 VAL 70 -10.769 -10.053 -11.244 560 1HG2 VAL 70 3HG2 VAL 70 -9.904 -6.676 -9.837 561 2HG2 VAL 70 2HG2 VAL 70 -10.489 -7.477 -11.295 562 3HG2 VAL 70 1HG2 VAL 70 -11.498 -7.429 -9.852 563 H GLY 71 H GLY 71 -9.965 -7.467 -6.107 564 1HA GLY 71 HA3 GLY 71 -12.776 -8.115 -5.730 565 2HA GLY 71 HA2 GLY 71 -12.387 -6.422 -5.998 566 H GLY 72 H GLY 72 -9.981 -6.278 -4.664 567 1HA GLY 72 HA3 GLY 72 -10.769 -6.802 -1.877 568 2HA GLY 72 HA2 GLY 72 -9.951 -5.336 -2.381 569 H ILE 73 H ILE 73 -8.116 -6.423 -4.109 570 HA ILE 73 HA ILE 73 -6.600 -8.431 -2.703 571 HB ILE 73 HB ILE 73 -6.709 -7.443 -5.396 572 1HG1 ILE 73 2HG1 ILE 73 -7.014 -9.760 -4.613 573 2HG1 ILE 73 3HG1 ILE 73 -5.802 -9.619 -5.886 574 1HG2 ILE 73 2HG2 ILE 73 -3.938 -7.721 -4.234 575 2HG2 ILE 73 1HG2 ILE 73 -4.327 -7.588 -5.950 576 3HG2 ILE 73 3HG2 ILE 73 -4.662 -6.239 -4.864 577 1HD1 ILE 73 2HD1 ILE 73 -5.165 -9.792 -2.942 578 2HD1 ILE 73 1HD1 ILE 73 -5.155 -11.165 -4.053 579 3HD1 ILE 73 3HD1 ILE 73 -4.018 -9.835 -4.284 580 H TYR 74 H TYR 74 -6.595 -5.048 -3.038 581 HA TYR 74 HA TYR 74 -5.127 -3.385 -2.433 582 1HB TYR 74 HB2 TYR 74 -4.615 -5.139 -0.041 583 2HB TYR 74 HB3 TYR 74 -4.678 -3.383 -0.112 584 HD1 TYR 74 HD1 TYR 74 -6.872 -2.238 -0.358 585 HD2 TYR 74 HD2 TYR 74 -6.592 -6.431 0.302 586 HE1 TYR 74 HE1 TYR 74 -9.224 -2.284 0.357 587 HE2 TYR 74 HE2 TYR 74 -8.942 -6.481 1.008 588 HH TYR 74 HH TYR 74 -11.069 -3.890 0.518 589 H VAL 75 H VAL 75 -3.476 -3.670 -4.026 590 HA VAL 75 HA VAL 75 -1.239 -5.399 -3.384 591 HB VAL 75 HB VAL 75 -1.687 -3.555 -5.740 592 1HG1 VAL 75 2HG1 VAL 75 0.545 -5.512 -5.213 593 2HG1 VAL 75 1HG1 VAL 75 0.262 -4.682 -6.743 594 3HG1 VAL 75 3HG1 VAL 75 0.683 -3.756 -5.302 595 1HG2 VAL 75 2HG2 VAL 75 -1.885 -6.543 -5.450 596 2HG2 VAL 75 1HG2 VAL 75 -3.181 -5.414 -5.844 597 3HG2 VAL 75 3HG2 VAL 75 -1.877 -5.697 -6.997 598 H VAL 76 H VAL 76 0.595 -4.743 -2.503 599 HA VAL 76 HA VAL 76 1.232 -1.879 -2.474 600 HB VAL 76 HB VAL 76 1.465 -3.625 -0.023 601 1HG1 VAL 76 2HG1 VAL 76 1.900 -0.672 -0.437 602 2HG1 VAL 76 1HG1 VAL 76 1.957 -1.505 1.116 603 3HG1 VAL 76 3HG1 VAL 76 3.147 -1.880 -0.130 604 1HG2 VAL 76 2HG2 VAL 76 -0.880 -3.188 -0.529 605 2HG2 VAL 76 1HG2 VAL 76 -0.369 -2.299 0.906 606 3HG2 VAL 76 3HG2 VAL 76 -0.542 -1.459 -0.635 607 H LEU 77 H LEU 77 2.948 -2.035 -3.858 608 HA LEU 77 HA LEU 77 5.057 -3.978 -3.321 609 1HB LEU 77 HB2 LEU 77 4.658 -1.968 -5.533 610 2HB LEU 77 HB3 LEU 77 6.117 -2.928 -5.372 611 HG LEU 77 HG LEU 77 3.325 -4.023 -5.794 612 1HD1 LEU 77 1HD1 LEU 77 4.170 -2.873 -7.767 613 2HD1 LEU 77 3HD1 LEU 77 5.661 -3.811 -7.688 614 3HD1 LEU 77 2HD1 LEU 77 4.129 -4.618 -8.024 615 1HD2 LEU 77 3HD2 LEU 77 5.095 -5.383 -4.482 616 2HD2 LEU 77 2HD2 LEU 77 4.222 -6.157 -5.807 617 3HD2 LEU 77 1HD2 LEU 77 5.867 -5.575 -6.057 618 H VAL 78 H VAL 78 6.279 -3.367 -1.620 619 HA VAL 78 HA VAL 78 6.978 -0.541 -1.363 620 HB VAL 78 HB VAL 78 8.110 -2.256 0.679 621 1HG1 VAL 78 2HG1 VAL 78 7.723 0.247 0.694 622 2HG1 VAL 78 1HG1 VAL 78 6.008 -0.103 0.932 623 3HG1 VAL 78 3HG1 VAL 78 7.194 -0.618 2.134 624 1HG2 VAL 78 2HG2 VAL 78 5.116 -2.323 0.322 625 2HG2 VAL 78 1HG2 VAL 78 6.214 -3.697 0.197 626 3HG2 VAL 78 3HG2 VAL 78 5.989 -2.886 1.747 627 H LYS 79 H LYS 79 8.674 0.083 -2.486 628 HA LYS 79 HA LYS 79 11.025 -1.685 -2.624 629 1HB LYS 79 HB2 LYS 79 9.824 0.241 -4.563 630 2HB LYS 79 HB3 LYS 79 11.563 -0.013 -4.597 631 1HG LYS 79 HG2 LYS 79 11.168 -2.433 -4.876 632 2HG LYS 79 HG3 LYS 79 9.426 -2.110 -4.959 633 1HD LYS 79 HD2 LYS 79 11.495 -0.943 -6.826 634 2HD LYS 79 HD3 LYS 79 10.495 -2.352 -7.186 635 1HE LYS 79 HE2 LYS 79 8.481 -0.979 -6.945 636 2HE LYS 79 HE3 LYS 79 9.484 0.428 -6.594 637 1HZ LYS 79 HZ2 LYS 79 10.459 0.234 -8.798 638 2HZ LYS 79 HZ1 LYS 79 9.491 -1.111 -9.135 639 3HZ LYS 79 HZ3 LYS 79 8.781 0.407 -8.899 640 HA PRO 80 HA PRO 80 12.410 1.550 0.342 641 1HB PRO 80 HB2 PRO 80 14.886 0.176 0.493 642 2HB PRO 80 HB3 PRO 80 13.575 0.161 1.672 643 1HG PRO 80 HG2 PRO 80 14.253 -1.814 -0.427 644 2HG PRO 80 HG3 PRO 80 13.437 -2.056 1.128 645 1HD PRO 80 HD2 PRO 80 12.109 -2.137 -1.212 646 2HD PRO 80 HD3 PRO 80 11.367 -1.502 0.272 647 H ARG 81 H ARG 81 12.713 3.296 -0.937 648 HA ARG 81 HA ARG 81 14.460 3.418 -3.151 649 1HB ARG 81 HB2 ARG 81 12.757 5.263 -1.663 650 2HB ARG 81 HB3 ARG 81 14.223 6.024 -2.262 651 1HG ARG 81 HG2 ARG 81 13.692 5.484 -4.506 652 2HG ARG 81 HG3 ARG 81 12.375 4.419 -4.004 653 1HD ARG 81 HD2 ARG 81 11.086 6.258 -3.215 654 2HD ARG 81 HD3 ARG 81 12.438 7.373 -3.427 655 HE ARG 81 HE ARG 81 11.729 6.135 -5.884 656 1HH1 ARG 81 1HH1 ARG 81 10.751 8.623 -3.650 657 2HH1 ARG 81 2HH1 ARG 81 9.947 9.570 -4.857 658 1HH2 ARG 81 1HH2 ARG 81 10.674 7.375 -7.479 659 2HH2 ARG 81 2HH2 ARG 81 9.904 8.859 -7.035 660 H LYS 82 H LYS 82 14.854 4.043 0.265 661 HA LYS 82 HA LYS 82 17.699 4.662 -0.199 662 1HB LYS 82 HB2 LYS 82 16.085 5.530 2.199 663 2HB LYS 82 HB3 LYS 82 17.690 6.073 1.731 664 1HG LYS 82 HG2 LYS 82 16.733 7.157 -0.251 665 2HG LYS 82 HG3 LYS 82 15.124 6.637 0.260 666 1HD LYS 82 HD2 LYS 82 15.397 7.917 2.346 667 2HD LYS 82 HD3 LYS 82 16.971 8.475 1.778 668 1HE LYS 82 HE2 LYS 82 14.322 8.988 0.430 669 2HE LYS 82 HE3 LYS 82 15.233 10.152 1.393 670 1HZ LYS 82 HZ1 LYS 82 17.034 10.016 -0.214 671 2HZ LYS 82 HZ3 LYS 82 16.157 8.902 -1.138 672 3HZ LYS 82 HZ2 LYS 82 15.595 10.488 -0.967 673 H ARG 83 H ARG 83 18.817 4.342 2.167 674 HA ARG 83 HA ARG 83 18.086 1.624 3.042 675 1HB ARG 83 HB2 ARG 83 20.888 2.736 2.908 676 2HB ARG 83 HB3 ARG 83 20.418 1.084 3.279 677 1HG ARG 83 HG2 ARG 83 19.755 0.666 1.054 678 2HG ARG 83 HG3 ARG 83 19.820 2.380 0.637 679 1HD ARG 83 HD2 ARG 83 22.245 2.363 0.986 680 2HD ARG 83 HD3 ARG 83 22.173 0.645 1.375 681 HE ARG 83 HE ARG 83 21.059 0.720 -1.066 682 1HH1 ARG 83 1HH1 ARG 83 24.003 2.091 0.198 683 2HH1 ARG 83 2HH1 ARG 83 24.847 1.995 -1.311 684 1HH2 ARG 83 1HH2 ARG 83 22.163 0.590 -3.056 685 2HH2 ARG 83 2HH2 ARG 83 23.802 1.143 -3.161 686 H GLY 84 H GLY 84 18.230 1.168 5.227 687 1HA GLY 84 HA3 GLY 84 18.484 3.541 6.952 688 2HA GLY 84 HA2 GLY 84 19.375 2.081 7.351 689 H HIS 85 H HIS 85 16.640 3.791 8.010 690 HA HIS 85 HA HIS 85 15.273 1.382 9.008 691 1HB HIS 85 HB2 HIS 85 15.225 4.187 10.136 692 2HB HIS 85 HB3 HIS 85 14.353 2.806 10.791 693 HD1 HIS 85 HD1 HIS 85 17.684 4.414 10.727 694 HD2 HIS 85 HD2 HIS 85 15.994 0.864 12.072 695 HE1 HIS 85 HE1 HIS 85 19.392 3.399 12.268 696 HE2 HIS 85 HE2 HIS 85 18.383 1.209 13.001 697 H HIS 86 H HIS 86 13.899 1.002 7.317 698 HA HIS 86 HA HIS 86 11.978 3.139 6.663 699 1HB HIS 86 HB2 HIS 86 12.793 0.727 5.026 700 2HB HIS 86 HB3 HIS 86 11.558 1.893 4.562 701 HD1 HIS 86 HD1 HIS 86 14.379 3.566 6.119 702 HD2 HIS 86 HD2 HIS 86 13.394 2.243 2.307 703 HE1 HIS 86 HE1 HIS 86 15.936 4.779 4.565 704 HE2 HIS 86 HE2 HIS 86 15.236 4.056 2.256 705 H THR 87 H THR 87 9.744 2.396 6.206 706 HA THR 87 HA THR 87 8.951 -0.177 7.225 707 HB THR 87 HB THR 87 8.172 2.309 8.753 708 HG1 THR 87 HG1 THR 87 9.580 -0.030 9.579 709 1HG2 THR 87 3HG2 THR 87 7.257 -0.553 9.052 710 2HG2 THR 87 2HG2 THR 87 6.901 0.751 10.187 711 3HG2 THR 87 1HG2 THR 87 6.268 0.819 8.540 712 H LEU 88 H LEU 88 6.978 -0.805 6.523 713 HA LEU 88 HA LEU 88 5.452 1.135 4.925 714 1HB LEU 88 HB2 LEU 88 6.471 -0.706 3.634 715 2HB LEU 88 HB3 LEU 88 5.623 -1.868 4.625 716 HG LEU 88 HG LEU 88 4.750 -1.083 2.213 717 1HD1 LEU 88 2HD1 LEU 88 3.878 -2.878 3.703 718 2HD1 LEU 88 1HD1 LEU 88 2.864 -1.659 4.475 719 3HD1 LEU 88 3HD1 LEU 88 2.649 -2.030 2.765 720 1HD2 LEU 88 3HD2 LEU 88 4.472 1.255 2.935 721 2HD2 LEU 88 2HD2 LEU 88 2.972 0.512 2.380 722 3HD2 LEU 88 1HD2 LEU 88 3.267 0.718 4.106 723 H GLU 89 H GLU 89 4.322 1.795 6.824 724 HA GLU 89 HA GLU 89 2.777 -0.136 8.288 725 1HB GLU 89 HB2 GLU 89 1.927 1.792 9.529 726 2HB GLU 89 HB3 GLU 89 3.683 1.825 9.423 727 1HG GLU 89 HG2 GLU 89 3.438 3.371 7.486 728 2HG GLU 89 HG3 GLU 89 1.720 3.448 7.857 729 H LEU 90 H LEU 90 0.805 -0.778 7.896 730 HA LEU 90 HA LEU 90 -0.853 0.748 6.008 731 1HB LEU 90 HB2 LEU 90 -0.819 -2.254 6.310 732 2HB LEU 90 HB3 LEU 90 -1.788 -1.334 5.178 733 HG LEU 90 HG LEU 90 1.206 -1.692 5.137 734 1HD1 LEU 90 2HD1 LEU 90 -0.097 -3.578 4.291 735 2HD1 LEU 90 1HD1 LEU 90 -0.947 -2.497 3.187 736 3HD1 LEU 90 3HD1 LEU 90 0.785 -2.769 2.996 737 1HD2 LEU 90 1HD2 LEU 90 0.613 0.611 4.513 738 2HD2 LEU 90 3HD2 LEU 90 1.244 -0.312 3.147 739 3HD2 LEU 90 2HD2 LEU 90 -0.493 -0.016 3.291 740 H VAL 91 H VAL 91 -3.206 0.329 6.276 741 HA VAL 91 HA VAL 91 -4.048 -0.662 8.861 742 HB VAL 91 HB VAL 91 -3.366 1.556 9.504 743 1HG1 VAL 91 3HG1 VAL 91 -5.046 2.497 7.182 744 2HG1 VAL 91 2HG1 VAL 91 -4.408 3.560 8.438 745 3HG1 VAL 91 1HG1 VAL 91 -3.301 2.672 7.390 746 1HG2 VAL 91 3HG2 VAL 91 -5.415 0.734 10.526 747 2HG2 VAL 91 2HG2 VAL 91 -5.479 2.485 10.321 748 3HG2 VAL 91 1HG2 VAL 91 -6.365 1.435 9.216 749 H TYR 92 H TYR 92 -6.288 -0.960 9.025 750 HA TYR 92 HA TYR 92 -7.728 -0.977 6.484 751 1HB TYR 92 HB2 TYR 92 -7.575 -2.961 8.156 752 2HB TYR 92 HB3 TYR 92 -8.757 -2.062 9.099 753 HD1 TYR 92 HD1 TYR 92 -10.729 -3.272 8.957 754 HD2 TYR 92 HD2 TYR 92 -8.505 -2.535 5.405 755 HE1 TYR 92 HE1 TYR 92 -12.538 -4.271 7.622 756 HE2 TYR 92 HE2 TYR 92 -10.309 -3.530 4.062 757 HH TYR 92 HH TYR 92 -12.167 -5.111 4.357 758 H THR 93 H THR 93 -8.132 1.260 6.312 759 HA THR 93 HA THR 93 -9.964 2.387 8.336 760 HB THR 93 HB THR 93 -7.892 3.594 8.350 761 HG1 THR 93 HG1 THR 93 -10.094 4.731 8.127 762 1HG2 THR 93 2HG2 THR 93 -8.278 3.820 5.364 763 2HG2 THR 93 1HG2 THR 93 -7.062 4.709 6.286 764 3HG2 THR 93 3HG2 THR 93 -6.996 2.947 6.207 765 H ARG 94 H ARG 94 -11.486 4.003 7.567 766 HA ARG 94 HA ARG 94 -12.539 3.324 4.919 767 1HB ARG 94 HB2 ARG 94 -13.772 4.697 7.308 768 2HB ARG 94 HB3 ARG 94 -14.567 4.601 5.744 769 1HG ARG 94 HG2 ARG 94 -14.459 2.135 5.889 770 2HG ARG 94 HG3 ARG 94 -13.785 2.299 7.511 771 1HD ARG 94 HD2 ARG 94 -16.177 1.879 7.615 772 2HD ARG 94 HD3 ARG 94 -15.795 3.486 8.232 773 HE ARG 94 HE ARG 94 -16.408 3.765 5.538 774 1HH1 ARG 94 1HH1 ARG 94 -17.999 2.763 8.471 775 2HH1 ARG 94 2HH1 ARG 94 -19.568 3.274 7.947 776 1HH2 ARG 94 1HH2 ARG 94 -18.470 4.442 4.840 777 2HH2 ARG 94 2HH2 ARG 94 -19.836 4.229 5.883 778 HA PRO 95 HA PRO 95 -10.345 7.162 3.681 779 1HB PRO 95 HB2 PRO 95 -11.815 6.313 1.218 780 2HB PRO 95 HB3 PRO 95 -10.162 6.913 1.388 781 1HG PRO 95 HG2 PRO 95 -10.618 4.312 1.060 782 2HG PRO 95 HG3 PRO 95 -9.367 4.877 2.181 783 1HD PRO 95 HD2 PRO 95 -12.055 3.750 2.761 784 2HD PRO 95 HD3 PRO 95 -10.552 3.630 3.689 785 H PHE 96 H PHE 96 -13.737 6.306 3.143 786 HA PHE 96 HA PHE 96 -14.473 9.056 2.654 787 1HB PHE 96 HB2 PHE 96 -16.031 6.479 2.761 788 2HB PHE 96 HB3 PHE 96 -16.753 8.041 2.441 789 HD1 PHE 96 HD1 PHE 96 -16.649 9.033 0.298 790 HD2 PHE 96 HD2 PHE 96 -14.355 5.557 1.169 791 HE1 PHE 96 HE1 PHE 96 -16.124 8.785 -2.093 792 HE2 PHE 96 HE2 PHE 96 -13.824 5.302 -1.219 793 HZ PHE 96 HZ PHE 96 -14.709 6.917 -2.855 794 H GLU 97 H GLU 97 -13.607 7.727 5.394 795 HA GLU 97 HA GLU 97 -15.455 9.314 6.970 796 1HB GLU 97 HB2 GLU 97 -15.194 6.330 7.274 797 2HB GLU 97 HB3 GLU 97 -15.761 7.356 8.583 798 1HG GLU 97 HG2 GLU 97 -17.045 7.222 5.868 799 2HG GLU 97 HG3 GLU 97 -17.562 6.272 7.260 800 H GLY 98 H GLY 98 -12.383 8.416 6.318 801 1HA GLY 98 HA3 GLY 98 -11.427 9.492 8.840 802 2HA GLY 98 HA2 GLY 98 -10.446 9.131 7.426 803 H ILE 99 H ILE 99 -9.302 8.449 9.655 804 HA ILE 99 HA ILE 99 -9.546 5.527 9.695 805 HB ILE 99 HB ILE 99 -7.218 7.087 10.764 806 1HG1 ILE 99 2HG1 ILE 99 -7.475 6.048 7.939 807 2HG1 ILE 99 3HG1 ILE 99 -7.757 7.731 8.374 808 1HG2 ILE 99 1HG2 ILE 99 -7.819 4.260 10.079 809 2HG2 ILE 99 3HG2 ILE 99 -6.173 4.838 9.819 810 3HG2 ILE 99 2HG2 ILE 99 -6.894 4.927 11.425 811 1HD1 ILE 99 2HD1 ILE 99 -5.453 7.898 9.171 812 2HD1 ILE 99 1HD1 ILE 99 -5.179 6.214 8.724 813 3HD1 ILE 99 3HD1 ILE 99 -5.526 7.412 7.476 814 H LYS 100 H LYS 100 -9.317 4.378 11.667 815 HA LYS 100 HA LYS 100 -9.872 5.922 14.110 816 1HB LYS 100 HB2 LYS 100 -11.228 3.295 13.625 817 2HB LYS 100 HB3 LYS 100 -11.688 4.592 14.715 818 1HG LYS 100 HG2 LYS 100 -11.815 4.829 11.725 819 2HG LYS 100 HG3 LYS 100 -13.169 4.304 12.730 820 1HD LYS 100 HD2 LYS 100 -12.209 6.643 13.925 821 2HD LYS 100 HD3 LYS 100 -12.214 6.967 12.190 822 1HE LYS 100 HE2 LYS 100 -14.550 6.261 12.061 823 2HE LYS 100 HE3 LYS 100 -14.544 5.921 13.793 824 1HZ LYS 100 HZ2 LYS 100 -14.113 8.261 14.214 825 2HZ LYS 100 HZ1 LYS 100 -14.114 8.588 12.555 826 3HZ LYS 100 HZ3 LYS 100 -15.534 8.071 13.317 827 HA PRO 101 HA PRO 101 -6.963 3.294 16.123 828 1HB PRO 101 HB2 PRO 101 -8.684 2.847 18.440 829 2HB PRO 101 HB3 PRO 101 -7.238 3.848 18.305 830 1HG PRO 101 HG2 PRO 101 -9.698 4.918 18.610 831 2HG PRO 101 HG3 PRO 101 -8.429 5.719 17.666 832 1HD PRO 101 HD2 PRO 101 -10.728 4.038 16.708 833 2HD PRO 101 HD3 PRO 101 -10.152 5.599 16.084 834 H GLU 102 H GLU 102 -10.223 1.985 16.739 835 HA GLU 102 HA GLU 102 -9.458 -0.651 17.216 836 1HB GLU 102 HB2 GLU 102 -11.818 -1.221 16.653 837 2HB GLU 102 HB3 GLU 102 -11.647 0.079 17.828 838 1HG GLU 102 HG2 GLU 102 -12.012 1.717 16.073 839 2HG GLU 102 HG3 GLU 102 -12.179 0.419 14.895 840 H ASN 103 H ASN 103 -9.376 1.079 14.324 841 HA ASN 103 HA ASN 103 -10.013 -0.864 12.416 842 1HB ASN 103 HB2 ASN 103 -8.186 1.528 12.357 843 2HB ASN 103 HB3 ASN 103 -8.413 0.502 10.944 844 1HD2 ASN 103 1HD2 ASN 103 -11.027 0.959 13.156 845 2HD2 ASN 103 2HD2 ASN 103 -11.971 2.000 12.152 846 H GLU 104 H GLU 104 -8.817 -2.376 11.298 847 HA GLU 104 HA GLU 104 -6.898 -3.835 12.655 848 1HB GLU 104 HB2 GLU 104 -8.384 -4.288 10.481 849 2HB GLU 104 HB3 GLU 104 -6.869 -3.898 9.683 850 1HG GLU 104 HG2 GLU 104 -5.760 -5.705 10.635 851 2HG GLU 104 HG3 GLU 104 -6.992 -5.929 11.875 852 H ARG 105 H ARG 105 -4.656 -4.295 11.940 853 HA ARG 105 HA ARG 105 -3.281 -1.895 10.928 854 1HB ARG 105 HB2 ARG 105 -3.088 -1.975 13.380 855 2HB ARG 105 HB3 ARG 105 -2.434 -3.603 13.281 856 1HG ARG 105 HG2 ARG 105 -0.486 -2.438 13.498 857 2HG ARG 105 HG3 ARG 105 -0.657 -2.408 11.737 858 1HD ARG 105 HD2 ARG 105 -1.446 -0.200 11.723 859 2HD ARG 105 HD3 ARG 105 -1.781 -0.224 13.457 860 HE ARG 105 HE ARG 105 0.941 -0.654 13.145 861 1HH1 ARG 105 1HH1 ARG 105 -1.378 1.864 12.492 862 2HH1 ARG 105 2HH1 ARG 105 -0.231 3.148 12.677 863 1HH2 ARG 105 1HH2 ARG 105 2.459 1.032 13.392 864 2HH2 ARG 105 2HH2 ARG 105 1.951 2.675 13.189 865 H TYR 106 H TYR 106 -1.117 -2.324 10.091 866 HA TYR 106 HA TYR 106 -0.077 -4.922 9.741 867 1HB TYR 106 HB2 TYR 106 -2.035 -5.032 8.169 868 2HB TYR 106 HB3 TYR 106 -1.272 -3.755 7.224 869 HD1 TYR 106 HD1 TYR 106 0.745 -4.216 5.919 870 HD2 TYR 106 HD2 TYR 106 -1.153 -7.280 8.180 871 HE1 TYR 106 HE1 TYR 106 2.037 -5.912 4.697 872 HE2 TYR 106 HE2 TYR 106 0.136 -8.985 6.963 873 HH TYR 106 HH TYR 106 1.306 -9.221 4.813 874 H THR 107 H THR 107 1.554 -3.532 10.646 875 HA THR 107 HA THR 107 2.771 -1.633 8.789 876 HB THR 107 HB THR 107 3.541 -2.167 11.658 877 HG1 THR 107 HG1 THR 107 1.497 -1.360 11.775 878 1HG2 THR 107 1HG2 THR 107 5.261 -1.054 10.324 879 2HG2 THR 107 3HG2 THR 107 4.092 0.164 9.821 880 3HG2 THR 107 2HG2 THR 107 4.572 0.051 11.513 881 H LEU 108 H LEU 108 4.006 -2.684 7.352 882 HA LEU 108 HA LEU 108 5.662 -4.919 8.124 883 1HB LEU 108 HB2 LEU 108 4.605 -5.003 5.970 884 2HB LEU 108 HB3 LEU 108 5.288 -3.458 5.517 885 HG LEU 108 HG LEU 108 7.509 -4.407 5.411 886 1HD1 LEU 108 1HD1 LEU 108 7.323 -5.994 7.253 887 2HD1 LEU 108 3HD1 LEU 108 6.236 -6.995 6.287 888 3HD1 LEU 108 2HD1 LEU 108 7.915 -6.783 5.789 889 1HD2 LEU 108 1HD2 LEU 108 6.079 -4.597 3.434 890 2HD2 LEU 108 3HD2 LEU 108 7.222 -5.934 3.551 891 3HD2 LEU 108 2HD2 LEU 108 5.532 -6.179 3.989 892 H HIS 109 H HIS 109 7.169 -4.052 9.564 893 HA HIS 109 HA HIS 109 8.772 -1.783 8.873 894 1HB HIS 109 HB2 HIS 109 8.724 -3.740 11.102 895 2HB HIS 109 HB3 HIS 109 10.201 -2.825 10.830 896 HD1 HIS 109 HD1 HIS 109 10.253 -0.467 11.682 897 HD2 HIS 109 HD2 HIS 109 6.433 -2.097 11.709 898 HE1 HIS 109 HE1 HIS 109 8.821 1.201 12.902 899 HE2 HIS 109 HE2 HIS 109 6.496 0.232 12.831 900 H LEU 110 H LEU 110 10.871 -1.730 8.173 901 HA LEU 110 HA LEU 110 12.186 -4.209 7.418 902 1HB LEU 110 HB2 LEU 110 11.475 -2.051 5.434 903 2HB LEU 110 HB3 LEU 110 12.557 -3.386 5.103 904 HG LEU 110 HG LEU 110 9.639 -3.697 5.827 905 1HD1 LEU 110 2HD1 LEU 110 10.999 -3.737 3.137 906 2HD1 LEU 110 1HD1 LEU 110 9.335 -4.241 3.438 907 3HD1 LEU 110 3HD1 LEU 110 9.811 -2.565 3.707 908 1HD2 LEU 110 1HD2 LEU 110 11.187 -5.602 6.342 909 2HD2 LEU 110 3HD2 LEU 110 9.886 -5.977 5.213 910 3HD2 LEU 110 2HD2 LEU 110 11.521 -5.707 4.614 911 H ASN 111 H ASN 111 13.963 -3.796 8.676 912 HA ASN 111 HA ASN 111 15.285 -1.254 8.675 913 1HB ASN 111 HB2 ASN 111 15.379 -2.795 10.622 914 2HB ASN 111 HB3 ASN 111 16.290 -3.944 9.648 915 1HD2 ASN 111 1HD2 ASN 111 18.429 -3.532 9.166 916 2HD2 ASN 111 2HD2 ASN 111 19.342 -2.303 9.965 917 H VAL 112 H VAL 112 15.354 -1.154 6.316 918 HA VAL 112 HA VAL 112 16.631 -2.842 4.582 919 HB VAL 112 HB VAL 112 17.005 0.127 4.321 920 1HG1 VAL 112 3HG1 VAL 112 17.951 -1.331 2.603 921 2HG1 VAL 112 2HG1 VAL 112 16.362 -2.051 2.341 922 3HG1 VAL 112 1HG1 VAL 112 16.635 -0.351 1.959 923 1HG2 VAL 112 2HG2 VAL 112 14.436 -1.417 4.034 924 2HG2 VAL 112 1HG2 VAL 112 14.750 -0.011 5.051 925 3HG2 VAL 112 3HG2 VAL 112 14.706 0.163 3.296 926 H LYS 113 H LYS 113 18.717 -3.027 3.745 927 HA LYS 113 HA LYS 113 20.825 -2.603 5.648 928 1HB LYS 113 HB2 LYS 113 20.842 -3.731 2.845 929 2HB LYS 113 HB3 LYS 113 22.243 -3.695 3.905 930 1HG LYS 113 HG2 LYS 113 19.678 -5.074 4.640 931 2HG LYS 113 HG3 LYS 113 20.994 -5.877 3.783 932 1HD LYS 113 HD2 LYS 113 21.595 -6.423 5.905 933 2HD LYS 113 HD3 LYS 113 22.397 -4.854 5.804 934 1HE LYS 113 HE2 LYS 113 20.480 -3.799 6.887 935 2HE LYS 113 HE3 LYS 113 19.661 -5.357 6.969 936 1HZ LYS 113 HZ2 LYS 113 21.434 -6.171 8.396 937 2HZ LYS 113 HZ1 LYS 113 22.217 -4.674 8.317 938 3HZ LYS 113 HZ3 LYS 113 20.707 -4.800 9.070 No H/Q in entry = 938 Start of MODEL 17 1 H1 GLY -2 HT2 GLY -2 -12.356 -27.009 16.603 2 H2 GLY -2 HT1 GLY -2 -13.439 -27.735 17.681 3 H3 GLY -2 HT3 GLY -2 -13.941 -27.339 16.114 4 1HA GLY -2 HA2 GLY -2 -13.155 -25.408 18.229 5 2HA GLY -2 HA3 GLY -2 -14.802 -25.749 17.718 6 H SER -1 H SER -1 -12.714 -23.403 17.574 7 HA SER -1 HA SER -1 -13.680 -22.462 14.992 8 1HB SER -1 HB2 SER -1 -13.928 -20.972 16.922 9 2HB SER -1 HB3 SER -1 -12.184 -21.009 17.188 10 HG SER -1 HG SER -1 -11.923 -19.611 15.635 11 H HIS 0 H HIS 0 -12.489 -22.711 13.232 12 HA HIS 0 HA HIS 0 -9.563 -22.524 13.464 13 1HB HIS 0 HB2 HIS 0 -11.093 -24.536 11.800 14 2HB HIS 0 HB3 HIS 0 -9.347 -24.311 11.765 15 HD1 HIS 0 HD1 HIS 0 -7.986 -25.421 13.590 16 HD2 HIS 0 HD2 HIS 0 -12.084 -25.719 14.204 17 HE1 HIS 0 HE1 HIS 0 -8.265 -27.051 15.483 18 HE2 HIS 0 HE2 HIS 0 -10.749 -27.150 15.894 19 H MET 1 H MET 1 -12.037 -20.906 12.432 20 HA MET 1 HA MET 1 -11.697 -20.555 9.657 21 1HB MET 1 HB2 MET 1 -12.760 -18.607 11.711 22 2HB MET 1 HB3 MET 1 -12.956 -18.459 9.970 23 1HG MET 1 HG2 MET 1 -14.236 -20.539 9.938 24 2HG MET 1 HG3 MET 1 -14.046 -20.679 11.685 25 1HE MET 1 HE1 MET 1 -16.868 -20.781 10.196 26 2HE MET 1 HE3 MET 1 -16.689 -20.921 11.945 27 3HE MET 1 HE2 MET 1 -17.842 -19.772 11.265 28 H ILE 2 H ILE 2 -10.752 -18.787 8.514 29 HA ILE 2 HA ILE 2 -8.311 -17.802 9.811 30 HB ILE 2 HB ILE 2 -8.030 -19.068 7.715 31 1HG1 ILE 2 2HG1 ILE 2 -6.628 -17.388 6.520 32 2HG1 ILE 2 3HG1 ILE 2 -7.328 -16.130 7.533 33 1HG2 ILE 2 3HG2 ILE 2 -10.124 -18.486 6.633 34 2HG2 ILE 2 2HG2 ILE 2 -9.591 -16.814 6.464 35 3HG2 ILE 2 1HG2 ILE 2 -8.760 -18.098 5.586 36 1HD1 ILE 2 3HD1 ILE 2 -5.689 -18.458 8.502 37 2HD1 ILE 2 2HD1 ILE 2 -5.135 -16.793 8.331 38 3HD1 ILE 2 1HD1 ILE 2 -6.383 -17.190 9.512 39 H ALA 3 H ALA 3 -11.365 -16.782 8.674 40 HA ALA 3 HA ALA 3 -10.922 -14.172 7.850 41 1HB ALA 3 HB2 ALA 3 -13.083 -15.313 7.671 42 2HB ALA 3 HB1 ALA 3 -13.280 -15.207 9.420 43 3HB ALA 3 HB3 ALA 3 -13.240 -13.737 8.446 44 HA PRO 4 HA PRO 4 -9.628 -11.977 11.460 45 1HB PRO 4 HB2 PRO 4 -10.589 -9.499 10.945 46 2HB PRO 4 HB3 PRO 4 -9.218 -10.189 10.071 47 1HG PRO 4 HG2 PRO 4 -12.095 -10.014 9.253 48 2HG PRO 4 HG3 PRO 4 -10.638 -9.696 8.292 49 1HD PRO 4 HD2 PRO 4 -12.020 -12.022 8.130 50 2HD PRO 4 HD3 PRO 4 -10.263 -11.934 7.893 51 H LEU 5 H LEU 5 -10.343 -11.291 13.458 52 HA LEU 5 HA LEU 5 -13.227 -10.966 13.856 53 1HB LEU 5 HB2 LEU 5 -11.464 -12.809 15.471 54 2HB LEU 5 HB3 LEU 5 -13.123 -12.405 15.866 55 HG LEU 5 HG LEU 5 -12.271 -13.826 13.342 56 1HD1 LEU 5 1HD1 LEU 5 -13.474 -14.935 15.873 57 2HD1 LEU 5 3HD1 LEU 5 -13.197 -15.834 14.381 58 3HD1 LEU 5 2HD1 LEU 5 -11.829 -15.205 15.298 59 1HD2 LEU 5 3HD2 LEU 5 -14.346 -12.568 13.111 60 2HD2 LEU 5 2HD2 LEU 5 -14.652 -14.304 13.099 61 3HD2 LEU 5 1HD2 LEU 5 -14.994 -13.359 14.548 62 H SER 6 H SER 6 -10.243 -11.122 15.812 63 HA SER 6 HA SER 6 -10.596 -8.345 16.591 64 1HB SER 6 HB2 SER 6 -10.585 -10.585 18.629 65 2HB SER 6 HB3 SER 6 -10.489 -8.866 19.009 66 HG SER 6 HG SER 6 -12.624 -10.068 17.580 67 H VAL 7 H VAL 7 -8.783 -11.119 17.905 68 HA VAL 7 HA VAL 7 -6.352 -9.568 17.932 69 HB VAL 7 HB VAL 7 -5.326 -11.718 18.782 70 1HG1 VAL 7 1HG1 VAL 7 -7.683 -10.571 20.274 71 2HG1 VAL 7 3HG1 VAL 7 -6.393 -11.537 20.991 72 3HG1 VAL 7 2HG1 VAL 7 -6.028 -9.959 20.292 73 1HG2 VAL 7 2HG2 VAL 7 -6.922 -13.274 17.784 74 2HG2 VAL 7 1HG2 VAL 7 -6.845 -13.475 19.534 75 3HG2 VAL 7 3HG2 VAL 7 -8.204 -12.621 18.802 76 H LYS 8 H LYS 8 -4.989 -9.401 16.296 77 HA LYS 8 HA LYS 8 -4.395 -11.657 14.598 78 1HB LYS 8 HB2 LYS 8 -5.665 -9.140 13.538 79 2HB LYS 8 HB3 LYS 8 -4.748 -10.235 12.523 80 1HG LYS 8 HG2 LYS 8 -7.209 -10.991 14.081 81 2HG LYS 8 HG3 LYS 8 -7.177 -10.584 12.365 82 1HD LYS 8 HD2 LYS 8 -5.656 -12.462 11.953 83 2HD LYS 8 HD3 LYS 8 -5.705 -12.873 13.669 84 1HE LYS 8 HE2 LYS 8 -8.116 -13.261 13.502 85 2HE LYS 8 HE3 LYS 8 -8.061 -12.859 11.787 86 1HZ LYS 8 HZ3 LYS 8 -6.637 -15.127 13.072 87 2HZ LYS 8 HZ2 LYS 8 -8.045 -15.248 12.143 88 3HZ LYS 8 HZ1 LYS 8 -6.600 -14.744 11.425 89 H ASP 9 H ASP 9 -2.312 -11.635 14.105 90 HA ASP 9 HA ASP 9 -0.654 -9.489 15.002 91 1HB ASP 9 HB2 ASP 9 0.082 -11.973 13.445 92 2HB ASP 9 HB3 ASP 9 1.192 -10.917 14.299 93 H ASN 10 H ASN 10 -0.023 -7.785 13.847 94 HA ASN 10 HA ASN 10 -0.158 -7.959 10.919 95 1HB ASN 10 HB2 ASN 10 -0.407 -5.310 11.373 96 2HB ASN 10 HB3 ASN 10 -1.769 -6.404 11.173 97 1HD2 ASN 10 1HD2 ASN 10 -0.015 -4.373 13.301 98 2HD2 ASN 10 2HD2 ASN 10 -1.053 -4.530 14.674 99 H ASP 11 H ASP 11 1.018 -5.339 12.892 100 HA ASP 11 HA ASP 11 3.113 -4.449 11.574 101 1HB ASP 11 HB2 ASP 11 3.354 -5.003 14.530 102 2HB ASP 11 HB3 ASP 11 4.103 -3.699 13.614 103 H LYS 12 H LYS 12 4.388 -5.701 10.366 104 HA LYS 12 HA LYS 12 5.765 -7.969 11.565 105 1HB LYS 12 HB2 LYS 12 4.784 -8.434 9.433 106 2HB LYS 12 HB3 LYS 12 5.496 -6.993 8.722 107 1HG LYS 12 HG2 LYS 12 6.890 -8.596 7.900 108 2HG LYS 12 HG3 LYS 12 7.739 -8.152 9.379 109 1HD LYS 12 HD2 LYS 12 5.765 -10.415 9.305 110 2HD LYS 12 HD3 LYS 12 7.460 -10.647 8.875 111 1HE LYS 12 HE2 LYS 12 8.110 -9.773 11.089 112 2HE LYS 12 HE3 LYS 12 6.405 -9.633 11.512 113 1HZ LYS 12 HZ3 LYS 12 7.802 -12.159 10.819 114 2HZ LYS 12 HZ2 LYS 12 7.375 -11.667 12.380 115 3HZ LYS 12 HZ1 LYS 12 6.171 -12.017 11.245 116 H TRP 13 H TRP 13 7.260 -6.959 12.882 117 HA TRP 13 HA TRP 13 9.009 -4.910 11.929 118 1HB TRP 13 HB2 TRP 13 9.452 -6.527 14.419 119 2HB TRP 13 HB3 TRP 13 9.810 -4.833 14.117 120 HD1 TRP 13 HD1 TRP 13 6.805 -7.139 14.809 121 HE1 TRP 13 HE1 TRP 13 4.884 -5.722 15.768 122 HE3 TRP 13 HE3 TRP 13 8.923 -2.501 14.388 123 HZ2 TRP 13 HZ2 TRP 13 4.325 -3.000 16.272 124 HZ3 TRP 13 HZ3 TRP 13 7.632 -0.546 15.142 125 HH2 TRP 13 HH2 TRP 13 5.387 -0.792 16.069 126 H VAL 14 H VAL 14 10.418 -5.479 10.344 127 HA VAL 14 HA VAL 14 12.381 -7.543 11.005 128 HB VAL 14 HB VAL 14 12.178 -8.631 8.775 129 1HG1 VAL 14 3HG1 VAL 14 11.239 -9.693 10.753 130 2HG1 VAL 14 2HG1 VAL 14 9.729 -8.813 10.524 131 3HG1 VAL 14 1HG1 VAL 14 10.239 -10.014 9.337 132 1HG2 VAL 14 3HG2 VAL 14 9.616 -7.050 8.619 133 2HG2 VAL 14 2HG2 VAL 14 11.023 -6.888 7.567 134 3HG2 VAL 14 1HG2 VAL 14 10.062 -8.367 7.535 135 H ASP 15 H ASP 15 13.777 -7.781 8.765 136 HA ASP 15 HA ASP 15 14.612 -5.032 8.121 137 1HB ASP 15 HB2 ASP 15 16.857 -5.811 7.965 138 2HB ASP 15 HB3 ASP 15 16.192 -6.507 9.443 139 H THR 16 H THR 16 16.121 -5.260 5.947 140 HA THR 16 HA THR 16 15.255 -7.085 3.978 141 HB THR 16 HB THR 16 13.179 -5.593 4.397 142 HG1 THR 16 HG1 THR 16 12.714 -6.575 2.586 143 1HG2 THR 16 1HG2 THR 16 14.420 -3.453 4.268 144 2HG2 THR 16 3HG2 THR 16 14.726 -3.774 2.562 145 3HG2 THR 16 2HG2 THR 16 13.074 -3.547 3.132 146 H HIS 17 H HIS 17 15.512 -5.853 1.656 147 HA HIS 17 HA HIS 17 18.142 -4.533 1.778 148 1HB HIS 17 HB2 HIS 17 17.003 -6.592 -0.053 149 2HB HIS 17 HB3 HIS 17 18.153 -5.441 -0.721 150 HD1 HIS 17 HD1 HIS 17 17.918 -8.504 1.289 151 HD2 HIS 17 HD2 HIS 17 20.764 -5.575 0.515 152 HE1 HIS 17 HE1 HIS 17 20.109 -9.477 2.050 153 HE2 HIS 17 HE2 HIS 17 21.804 -7.659 1.641 154 H VAL 18 H VAL 18 18.307 -3.639 -0.843 155 HA VAL 18 HA VAL 18 16.434 -1.415 -0.723 156 HB VAL 18 HB VAL 18 18.791 -0.894 -1.046 157 1HG1 VAL 18 3HG1 VAL 18 19.477 -2.908 -2.228 158 2HG1 VAL 18 2HG1 VAL 18 18.538 -2.416 -3.638 159 3HG1 VAL 18 1HG1 VAL 18 19.937 -1.467 -3.135 160 1HG2 VAL 18 1HG2 VAL 18 17.135 0.634 -1.969 161 2HG2 VAL 18 3HG2 VAL 18 18.577 0.591 -2.983 162 3HG2 VAL 18 2HG2 VAL 18 17.123 -0.274 -3.481 163 H GLY 19 H GLY 19 14.907 -0.924 -2.162 164 1HA GLY 19 HA3 GLY 19 14.658 -1.765 -4.800 165 2HA GLY 19 HA2 GLY 19 13.340 -1.206 -3.794 166 H LYS 20 H LYS 20 14.072 -3.598 -1.951 167 HA LYS 20 HA LYS 20 13.470 -5.928 -3.435 168 1HB LYS 20 HB2 LYS 20 14.309 -5.428 -0.879 169 2HB LYS 20 HB3 LYS 20 12.654 -5.933 -0.611 170 1HG LYS 20 HG2 LYS 20 13.811 -7.914 -0.467 171 2HG LYS 20 HG3 LYS 20 13.258 -7.919 -2.146 172 1HD LYS 20 HD2 LYS 20 15.365 -7.331 -2.962 173 2HD LYS 20 HD3 LYS 20 15.898 -6.760 -1.384 174 1HE LYS 20 HE2 LYS 20 16.962 -8.885 -1.954 175 2HE LYS 20 HE3 LYS 20 15.909 -9.060 -0.551 176 1HZ LYS 20 HZ3 LYS 20 14.204 -9.988 -1.992 177 2HZ LYS 20 HZ2 LYS 20 15.217 -9.822 -3.337 178 3HZ LYS 20 HZ1 LYS 20 15.631 -10.893 -2.095 179 H THR 21 H THR 21 11.706 -5.213 -4.731 180 HA THR 21 HA THR 21 9.306 -4.156 -3.951 181 HB THR 21 HB THR 21 9.491 -6.350 -6.013 182 HG1 THR 21 HG1 THR 21 10.978 -4.231 -5.989 183 1HG2 THR 21 1HG2 THR 21 7.723 -3.913 -5.740 184 2HG2 THR 21 3HG2 THR 21 7.728 -5.014 -7.119 185 3HG2 THR 21 2HG2 THR 21 7.237 -5.595 -5.528 186 H THR 22 H THR 22 8.426 -4.832 -2.064 187 HA THR 22 HA THR 22 7.892 -7.673 -1.668 188 HB THR 22 HB THR 22 7.506 -5.295 0.162 189 HG1 THR 22 HG1 THR 22 9.171 -7.389 0.867 190 1HG2 THR 22 1HG2 THR 22 5.797 -7.003 0.607 191 2HG2 THR 22 3HG2 THR 22 7.061 -8.225 0.750 192 3HG2 THR 22 2HG2 THR 22 6.971 -6.907 1.920 193 H GLU 23 H GLU 23 6.227 -8.294 -2.878 194 HA GLU 23 HA GLU 23 3.905 -6.704 -3.322 195 1HB GLU 23 HB2 GLU 23 4.847 -8.428 -4.897 196 2HB GLU 23 HB3 GLU 23 4.268 -9.663 -3.788 197 1HG GLU 23 HG2 GLU 23 1.985 -8.970 -4.124 198 2HG GLU 23 HG3 GLU 23 2.525 -7.610 -5.111 199 H ILE 24 H ILE 24 2.318 -6.423 -1.949 200 HA ILE 24 HA ILE 24 1.776 -8.535 0.028 201 HB ILE 24 HB ILE 24 1.283 -5.585 0.316 202 1HG1 ILE 24 2HG1 ILE 24 3.376 -7.325 1.630 203 2HG1 ILE 24 3HG1 ILE 24 3.687 -6.182 0.327 204 1HG2 ILE 24 1HG2 ILE 24 -0.320 -6.957 1.541 205 2HG2 ILE 24 3HG2 ILE 24 1.006 -7.833 2.307 206 3HG2 ILE 24 2HG2 ILE 24 0.767 -6.118 2.648 207 1HD1 ILE 24 3HD1 ILE 24 2.896 -4.365 1.808 208 2HD1 ILE 24 2HD1 ILE 24 2.765 -5.545 3.112 209 3HD1 ILE 24 1HD1 ILE 24 4.336 -5.194 2.395 210 H HIS 25 H HIS 25 0.206 -9.600 -1.118 211 HA HIS 25 HA HIS 25 -2.087 -8.165 -2.152 212 1HB HIS 25 HB2 HIS 25 -1.189 -11.025 -2.171 213 2HB HIS 25 HB3 HIS 25 -2.857 -10.631 -2.541 214 HD1 HIS 25 HD1 HIS 25 -2.649 -11.368 -4.991 215 HD2 HIS 25 HD2 HIS 25 0.005 -8.360 -3.914 216 HE1 HIS 25 HE1 HIS 25 -1.679 -10.524 -7.151 217 HE2 HIS 25 HE2 HIS 25 -0.147 -8.640 -6.480 218 H LEU 26 H LEU 26 -3.412 -7.404 -0.616 219 HA LEU 26 HA LEU 26 -3.917 -9.035 1.767 220 1HB LEU 26 HB2 LEU 26 -4.761 -6.217 1.124 221 2HB LEU 26 HB3 LEU 26 -4.981 -7.023 2.664 222 HG LEU 26 HG LEU 26 -2.276 -6.471 1.441 223 1HD1 LEU 26 1HD1 LEU 26 -3.431 -4.370 1.899 224 2HD1 LEU 26 3HD1 LEU 26 -3.762 -4.907 3.546 225 3HD1 LEU 26 2HD1 LEU 26 -2.100 -4.628 3.028 226 1HD2 LEU 26 1HD2 LEU 26 -2.388 -8.325 3.064 227 2HD2 LEU 26 3HD2 LEU 26 -1.428 -6.966 3.648 228 3HD2 LEU 26 2HD2 LEU 26 -3.067 -7.214 4.255 229 H LYS 27 H LYS 27 -6.141 -9.239 2.562 230 HA LYS 27 HA LYS 27 -7.974 -9.735 0.330 231 1HB LYS 27 HB2 LYS 27 -8.353 -10.617 3.185 232 2HB LYS 27 HB3 LYS 27 -9.140 -11.246 1.748 233 1HG LYS 27 HG2 LYS 27 -6.198 -11.513 2.320 234 2HG LYS 27 HG3 LYS 27 -7.408 -12.748 2.679 235 1HD LYS 27 HD2 LYS 27 -7.990 -12.862 0.302 236 2HD LYS 27 HD3 LYS 27 -6.776 -11.631 -0.054 237 1HE LYS 27 HE2 LYS 27 -5.023 -13.115 0.782 238 2HE LYS 27 HE3 LYS 27 -6.234 -14.344 1.147 239 1HZ LYS 27 HZ1 LYS 27 -5.618 -13.284 -1.557 240 2HZ LYS 27 HZ3 LYS 27 -5.123 -14.784 -0.952 241 3HZ LYS 27 HZ2 LYS 27 -6.766 -14.473 -1.202 242 H GLY 28 H GLY 28 -10.305 -9.291 0.748 243 1HA GLY 28 HA3 GLY 28 -10.535 -6.619 1.940 244 2HA GLY 28 HA2 GLY 28 -11.643 -7.869 2.471 245 H ASN 29 H ASN 29 -12.476 -5.462 1.321 246 HA ASN 29 HA ASN 29 -13.012 -5.715 -1.454 247 1HB ASN 29 HB2 ASN 29 -14.482 -7.525 -0.443 248 2HB ASN 29 HB3 ASN 29 -15.396 -6.232 0.324 249 1HD2 ASN 29 1HD2 ASN 29 -17.266 -6.752 -0.793 250 2HD2 ASN 29 2HD2 ASN 29 -17.462 -6.411 -2.474 251 HA PRO 30 HA PRO 30 -13.342 -1.333 -0.654 252 1HB PRO 30 HB2 PRO 30 -14.891 -1.445 -3.201 253 2HB PRO 30 HB3 PRO 30 -13.562 -0.376 -2.740 254 1HG PRO 30 HG2 PRO 30 -13.144 -2.408 -4.399 255 2HG PRO 30 HG3 PRO 30 -11.950 -1.998 -3.154 256 1HD PRO 30 HD2 PRO 30 -13.916 -4.239 -3.233 257 2HD PRO 30 HD3 PRO 30 -12.268 -4.206 -2.578 258 H THR 31 H THR 31 -16.255 -2.670 -2.237 259 HA THR 31 HA THR 31 -17.958 -0.936 -0.687 260 HB THR 31 HB THR 31 -18.573 -1.315 -2.981 261 HG1 THR 31 HG1 THR 31 -20.598 -1.311 -2.386 262 1HG2 THR 31 3HG2 THR 31 -17.548 -3.513 -3.273 263 2HG2 THR 31 2HG2 THR 31 -18.786 -4.234 -2.247 264 3HG2 THR 31 1HG2 THR 31 -19.230 -3.526 -3.800 265 H THR 32 H THR 32 -16.679 -2.419 1.140 266 HA THR 32 HA THR 32 -18.832 -4.088 2.198 267 HB THR 32 HB THR 32 -15.958 -4.981 1.967 268 HG1 THR 32 HG1 THR 32 -18.314 -6.351 1.171 269 1HG2 THR 32 2HG2 THR 32 -18.227 -6.241 3.512 270 2HG2 THR 32 1HG2 THR 32 -16.653 -6.981 3.224 271 3HG2 THR 32 3HG2 THR 32 -16.773 -5.515 4.198 272 H GLY 33 H GLY 33 -15.478 -3.280 3.147 273 1HA GLY 33 HA3 GLY 33 -15.248 -3.175 5.670 274 2HA GLY 33 HA2 GLY 33 -16.604 -2.064 5.591 275 H TYR 34 H TYR 34 -13.346 -2.253 5.876 276 HA TYR 34 HA TYR 34 -13.043 0.575 5.223 277 1HB TYR 34 HB2 TYR 34 -11.141 -1.265 6.687 278 2HB TYR 34 HB3 TYR 34 -11.013 0.482 6.571 279 HD1 TYR 34 HD1 TYR 34 -13.584 -2.030 7.636 280 HD2 TYR 34 HD2 TYR 34 -11.621 1.657 8.463 281 HE1 TYR 34 HE1 TYR 34 -14.885 -1.806 9.709 282 HE2 TYR 34 HE2 TYR 34 -12.919 1.887 10.535 283 HH TYR 34 HH TYR 34 -14.705 -0.653 11.881 284 H MET 35 H MET 35 -10.435 0.889 4.735 285 HA MET 35 HA MET 35 -9.961 -0.586 2.245 286 1HB MET 35 HB2 MET 35 -10.212 1.622 1.567 287 2HB MET 35 HB3 MET 35 -9.528 2.261 3.058 288 1HG MET 35 HG2 MET 35 -7.310 1.436 2.333 289 2HG MET 35 HG3 MET 35 -8.037 0.961 0.813 290 1HE MET 35 HE2 MET 35 -9.930 3.045 -0.123 291 2HE MET 35 HE1 MET 35 -8.952 4.294 -0.894 292 3HE MET 35 HE3 MET 35 -8.584 2.592 -1.168 293 H TRP 36 H TRP 36 -7.812 -1.142 1.747 294 HA TRP 36 HA TRP 36 -6.051 -1.279 4.095 295 1HB TRP 36 HB2 TRP 36 -6.692 -3.167 1.933 296 2HB TRP 36 HB3 TRP 36 -4.988 -3.046 2.337 297 HD1 TRP 36 HD1 TRP 36 -7.825 -5.069 3.188 298 HE1 TRP 36 HE1 TRP 36 -7.597 -6.143 5.516 299 HE3 TRP 36 HE3 TRP 36 -4.023 -2.198 5.031 300 HZ2 TRP 36 HZ2 TRP 36 -6.013 -5.811 7.831 301 HZ3 TRP 36 HZ3 TRP 36 -3.209 -2.637 7.304 302 HH2 TRP 36 HH2 TRP 36 -4.185 -4.406 8.677 303 H THR 37 H THR 37 -5.135 0.764 3.783 304 HA THR 37 HA THR 37 -3.220 0.876 1.550 305 HB THR 37 HB THR 37 -5.212 2.315 1.048 306 HG1 THR 37 HG1 THR 37 -3.170 4.159 1.402 307 1HG2 THR 37 2HG2 THR 37 -5.720 3.000 3.342 308 2HG2 THR 37 1HG2 THR 37 -4.201 3.892 3.418 309 3HG2 THR 37 3HG2 THR 37 -5.468 4.403 2.302 310 H ARG 38 H ARG 38 -2.041 3.364 2.232 311 HA ARG 38 HA ARG 38 -0.655 2.555 4.658 312 1HB ARG 38 HB2 ARG 38 0.000 4.263 2.334 313 2HB ARG 38 HB3 ARG 38 0.683 4.755 3.869 314 1HG ARG 38 HG2 ARG 38 1.859 2.756 4.123 315 2HG ARG 38 HG3 ARG 38 0.964 1.983 2.814 316 1HD ARG 38 HD2 ARG 38 3.307 2.778 2.302 317 2HD ARG 38 HD3 ARG 38 2.065 3.230 1.172 318 HE ARG 38 HE ARG 38 2.145 5.457 2.154 319 1HH1 ARG 38 1HH1 ARG 38 4.748 3.276 2.936 320 2HH1 ARG 38 2HH1 ARG 38 5.896 4.539 3.230 321 1HH2 ARG 38 1HH2 ARG 38 3.669 7.132 2.518 322 2HH2 ARG 38 2HH2 ARG 38 5.282 6.726 2.997 323 H VAL 39 H VAL 39 -0.152 4.099 6.346 324 HA VAL 39 HA VAL 39 -2.485 5.555 7.148 325 HB VAL 39 HB VAL 39 0.225 5.494 8.484 326 1HG1 VAL 39 2HG1 VAL 39 -1.200 7.306 9.259 327 2HG1 VAL 39 1HG1 VAL 39 -2.512 6.167 9.557 328 3HG1 VAL 39 3HG1 VAL 39 -1.030 6.074 10.508 329 1HG2 VAL 39 1HG2 VAL 39 -0.997 3.252 8.041 330 2HG2 VAL 39 3HG2 VAL 39 -0.373 3.590 9.656 331 3HG2 VAL 39 2HG2 VAL 39 -2.094 3.794 9.312 332 H GLY 40 H GLY 40 -2.886 7.685 7.033 333 1HA GLY 40 HA3 GLY 40 -0.745 9.611 6.743 334 2HA GLY 40 HA2 GLY 40 -2.461 9.966 6.865 335 H PHE 41 H PHE 41 -2.407 7.685 4.605 336 HA PHE 41 HA PHE 41 -2.212 9.642 2.420 337 1HB PHE 41 HB2 PHE 41 -1.261 6.777 2.267 338 2HB PHE 41 HB3 PHE 41 -1.144 7.993 0.999 339 HD1 PHE 41 HD1 PHE 41 0.414 6.522 3.831 340 HD2 PHE 41 HD2 PHE 41 0.279 10.054 1.472 341 HE1 PHE 41 HE1 PHE 41 2.600 7.205 4.739 342 HE2 PHE 41 HE2 PHE 41 2.467 10.746 2.364 343 HZ PHE 41 HZ PHE 41 3.629 9.320 4.003 344 H VAL 42 H VAL 42 -4.105 7.637 4.125 345 HA VAL 42 HA VAL 42 -5.584 6.148 2.314 346 HB VAL 42 HB VAL 42 -6.782 7.566 4.689 347 1HG1 VAL 42 3HG1 VAL 42 -8.290 6.346 3.136 348 2HG1 VAL 42 2HG1 VAL 42 -7.395 4.870 3.495 349 3HG1 VAL 42 1HG1 VAL 42 -8.280 5.697 4.776 350 1HG2 VAL 42 1HG2 VAL 42 -4.554 6.393 5.130 351 2HG2 VAL 42 3HG2 VAL 42 -5.926 5.954 6.143 352 3HG2 VAL 42 2HG2 VAL 42 -5.431 4.895 4.825 353 H GLY 43 H GLY 43 -6.710 6.736 0.591 354 1HA GLY 43 HA3 GLY 43 -8.290 9.206 0.684 355 2HA GLY 43 HA2 GLY 43 -8.497 7.888 -0.463 356 H LYS 44 H LYS 44 -5.343 9.150 0.266 357 HA LYS 44 HA LYS 44 -5.210 11.078 -1.804 358 1HB LYS 44 HB2 LYS 44 -3.018 9.595 -0.347 359 2HB LYS 44 HB3 LYS 44 -2.769 10.985 -1.385 360 1HG LYS 44 HG2 LYS 44 -4.265 12.286 0.146 361 2HG LYS 44 HG3 LYS 44 -4.234 10.897 1.236 362 1HD LYS 44 HD2 LYS 44 -1.794 11.065 1.375 363 2HD LYS 44 HD3 LYS 44 -1.832 12.463 0.298 364 1HE LYS 44 HE2 LYS 44 -3.132 12.283 3.011 365 2HE LYS 44 HE3 LYS 44 -1.641 13.144 2.635 366 1HZ LYS 44 HZ1 LYS 44 -2.891 14.585 1.150 367 2HZ LYS 44 HZ3 LYS 44 -4.323 13.761 1.520 368 3HZ LYS 44 HZ2 LYS 44 -3.523 14.648 2.718 369 H ASP 45 H ASP 45 -3.425 10.854 -3.533 370 HA ASP 45 HA ASP 45 -4.143 8.677 -5.228 371 1HB ASP 45 HB2 ASP 45 -2.149 10.929 -5.478 372 2HB ASP 45 HB3 ASP 45 -2.394 9.726 -6.734 373 H VAL 46 H VAL 46 -0.970 9.765 -4.041 374 HA VAL 46 HA VAL 46 -0.041 6.973 -4.165 375 HB VAL 46 HB VAL 46 1.134 8.634 -5.620 376 1HG1 VAL 46 1HG1 VAL 46 2.050 9.762 -2.980 377 2HG1 VAL 46 3HG1 VAL 46 2.700 10.198 -4.559 378 3HG1 VAL 46 2HG1 VAL 46 1.022 10.570 -4.165 379 1HG2 VAL 46 3HG2 VAL 46 2.220 6.565 -4.942 380 2HG2 VAL 46 2HG2 VAL 46 3.392 7.882 -5.021 381 3HG2 VAL 46 1HG2 VAL 46 2.786 7.332 -3.458 382 H LEU 47 H LEU 47 0.933 6.044 -2.438 383 HA LEU 47 HA LEU 47 0.556 7.372 0.125 384 1HB LEU 47 HB2 LEU 47 1.622 4.609 -0.150 385 2HB LEU 47 HB3 LEU 47 0.606 5.283 1.105 386 HG LEU 47 HG LEU 47 -0.309 4.627 -1.696 387 1HD1 LEU 47 1HD1 LEU 47 -0.751 3.169 0.907 388 2HD1 LEU 47 3HD1 LEU 47 -1.525 2.779 -0.629 389 3HD1 LEU 47 2HD1 LEU 47 0.222 2.609 -0.454 390 1HD2 LEU 47 1HD2 LEU 47 -1.859 5.491 0.739 391 2HD2 LEU 47 3HD2 LEU 47 -1.569 6.457 -0.707 392 3HD2 LEU 47 2HD2 LEU 47 -2.555 4.998 -0.804 393 H SER 48 H SER 48 3.075 5.590 -1.592 394 HA SER 48 HA SER 48 5.227 5.957 0.057 395 1HB SER 48 HB2 SER 48 6.588 5.497 -1.847 396 2HB SER 48 HB3 SER 48 5.086 4.612 -2.077 397 HG SER 48 HG SER 48 4.696 6.957 -3.154 398 H ASP 49 H ASP 49 7.258 7.295 -0.781 399 HA ASP 49 HA ASP 49 6.618 9.972 -1.648 400 1HB ASP 49 HB2 ASP 49 7.486 9.403 1.181 401 2HB ASP 49 HB3 ASP 49 7.751 10.968 0.417 402 H GLU 50 H GLU 50 9.290 9.116 0.456 403 HA GLU 50 HA GLU 50 11.107 9.110 -1.853 404 1HB GLU 50 HB2 GLU 50 12.667 10.505 -0.621 405 2HB GLU 50 HB3 GLU 50 11.108 11.311 -0.752 406 1HG GLU 50 HG2 GLU 50 10.559 10.682 1.522 407 2HG GLU 50 HG3 GLU 50 12.090 9.820 1.669 408 H ILE 51 H ILE 51 10.382 8.060 1.391 409 HA ILE 51 HA ILE 51 12.793 6.599 1.823 410 HB ILE 51 HB ILE 51 10.124 6.175 3.165 411 1HG1 ILE 51 2HG1 ILE 51 10.834 8.561 3.187 412 2HG1 ILE 51 3HG1 ILE 51 10.771 7.834 4.786 413 1HG2 ILE 51 2HG2 ILE 51 12.955 5.577 4.002 414 2HG2 ILE 51 1HG2 ILE 51 11.560 5.477 5.076 415 3HG2 ILE 51 3HG2 ILE 51 11.666 4.420 3.668 416 1HD1 ILE 51 2HD1 ILE 51 13.273 8.234 3.163 417 2HD1 ILE 51 1HD1 ILE 51 12.728 9.275 4.480 418 3HD1 ILE 51 3HD1 ILE 51 13.179 7.602 4.807 419 H LEU 52 H LEU 52 9.542 5.199 1.818 420 HA LEU 52 HA LEU 52 10.616 2.875 0.383 421 1HB LEU 52 HB2 LEU 52 8.436 3.292 2.350 422 2HB LEU 52 HB3 LEU 52 8.184 2.048 1.141 423 HG LEU 52 HG LEU 52 10.628 2.142 2.893 424 1HD1 LEU 52 1HD1 LEU 52 8.034 0.679 3.349 425 2HD1 LEU 52 3HD1 LEU 52 9.527 0.402 4.249 426 3HD1 LEU 52 2HD1 LEU 52 8.714 1.963 4.349 427 1HD2 LEU 52 1HD2 LEU 52 10.701 0.840 0.768 428 2HD2 LEU 52 3HD2 LEU 52 10.931 -0.131 2.222 429 3HD2 LEU 52 2HD2 LEU 52 9.376 -0.146 1.388 430 H GLU 53 H GLU 53 10.262 2.808 -1.743 431 HA GLU 53 HA GLU 53 8.302 4.370 -3.067 432 1HB GLU 53 HB2 GLU 53 10.421 2.515 -3.798 433 2HB GLU 53 HB3 GLU 53 9.002 2.321 -4.817 434 1HG GLU 53 HG2 GLU 53 9.814 5.089 -4.367 435 2HG GLU 53 HG3 GLU 53 10.993 4.104 -5.229 436 H VAL 54 H VAL 54 6.559 3.584 -1.586 437 HA VAL 54 HA VAL 54 5.530 0.952 -1.903 438 HB VAL 54 HB VAL 54 4.070 3.370 -0.855 439 1HG1 VAL 54 3HG1 VAL 54 3.666 0.408 -0.476 440 2HG1 VAL 54 2HG1 VAL 54 2.800 1.659 0.415 441 3HG1 VAL 54 1HG1 VAL 54 2.602 1.524 -1.333 442 1HG2 VAL 54 3HG2 VAL 54 6.024 1.517 0.465 443 2HG2 VAL 54 2HG2 VAL 54 6.004 3.279 0.457 444 3HG2 VAL 54 1HG2 VAL 54 4.805 2.389 1.391 445 H VAL 55 H VAL 55 5.312 0.722 -4.169 446 HA VAL 55 HA VAL 55 3.529 2.430 -5.627 447 HB VAL 55 HB VAL 55 4.536 -0.302 -6.407 448 1HG1 VAL 55 3HG1 VAL 55 2.576 0.565 -7.651 449 2HG1 VAL 55 2HG1 VAL 55 3.533 1.971 -8.115 450 3HG1 VAL 55 1HG1 VAL 55 4.006 0.364 -8.665 451 1HG2 VAL 55 1HG2 VAL 55 6.410 1.187 -5.920 452 2HG2 VAL 55 3HG2 VAL 55 6.292 0.878 -7.652 453 3HG2 VAL 55 2HG2 VAL 55 5.727 2.411 -6.988 454 H CYS 56 H CYS 56 1.680 2.350 -4.395 455 HA CYS 56 HA CYS 56 0.351 -0.041 -3.655 456 1HB CYS 56 HB2 CYS 56 -0.095 1.946 -2.398 457 2HB CYS 56 HB3 CYS 56 -0.599 2.816 -3.840 458 HG CYS 56 HG CYS 56 -2.333 0.664 -1.923 459 H LYS 57 H LYS 57 -1.169 -1.206 -4.642 460 HA LYS 57 HA LYS 57 -2.241 -0.267 -7.197 461 1HB LYS 57 HB2 LYS 57 -0.899 -2.891 -6.641 462 2HB LYS 57 HB3 LYS 57 -1.940 -2.637 -8.027 463 1HG LYS 57 HG2 LYS 57 -0.451 -0.862 -8.817 464 2HG LYS 57 HG3 LYS 57 0.597 -1.133 -7.422 465 1HD LYS 57 HD2 LYS 57 1.018 -3.419 -8.173 466 2HD LYS 57 HD3 LYS 57 -0.047 -3.165 -9.558 467 1HE LYS 57 HE2 LYS 57 2.501 -1.654 -8.988 468 2HE LYS 57 HE3 LYS 57 2.310 -2.940 -10.179 469 1HZ LYS 57 HZ2 LYS 57 0.887 -0.334 -10.210 470 2HZ LYS 57 HZ1 LYS 57 2.186 -0.760 -11.205 471 3HZ LYS 57 HZ3 LYS 57 0.707 -1.567 -11.353 472 H TYR 58 H TYR 58 -3.659 -0.062 -4.971 473 HA TYR 58 HA TYR 58 -5.202 -2.172 -4.073 474 1HB TYR 58 HB2 TYR 58 -5.252 0.132 -3.127 475 2HB TYR 58 HB3 TYR 58 -6.100 0.688 -4.561 476 HD1 TYR 58 HD1 TYR 58 -7.950 -1.895 -4.624 477 HD2 TYR 58 HD2 TYR 58 -6.924 0.962 -1.629 478 HE1 TYR 58 HE1 TYR 58 -10.092 -2.310 -3.528 479 HE2 TYR 58 HE2 TYR 58 -9.091 0.556 -0.528 480 HH TYR 58 HH TYR 58 -11.320 -0.284 -1.083 481 H THR 59 H THR 59 -6.371 -3.584 -5.215 482 HA THR 59 HA THR 59 -7.412 -2.802 -7.838 483 HB THR 59 HB THR 59 -7.308 -5.565 -6.608 484 HG1 THR 59 HG1 THR 59 -5.204 -4.908 -6.928 485 1HG2 THR 59 2HG2 THR 59 -8.970 -5.319 -8.391 486 2HG2 THR 59 1HG2 THR 59 -7.728 -4.670 -9.461 487 3HG2 THR 59 3HG2 THR 59 -7.628 -6.340 -8.903 488 HA PRO 60 HA PRO 60 -11.468 -2.894 -5.828 489 1HB PRO 60 HB2 PRO 60 -12.232 -0.471 -6.585 490 2HB PRO 60 HB3 PRO 60 -10.942 -0.650 -5.391 491 1HG PRO 60 HG2 PRO 60 -10.780 0.199 -8.214 492 2HG PRO 60 HG3 PRO 60 -9.659 0.514 -6.879 493 1HD PRO 60 HD2 PRO 60 -9.559 -1.584 -8.896 494 2HD PRO 60 HD3 PRO 60 -8.328 -1.113 -7.706 495 H THR 61 H THR 61 -10.666 -3.926 -8.590 496 HA THR 61 HA THR 61 -13.137 -3.292 -10.053 497 HB THR 61 HB THR 61 -11.245 -2.785 -11.408 498 HG1 THR 61 HG1 THR 61 -11.536 -4.392 -13.108 499 1HG2 THR 61 3HG2 THR 61 -10.256 -5.578 -10.825 500 2HG2 THR 61 2HG2 THR 61 -9.512 -4.445 -11.951 501 3HG2 THR 61 1HG2 THR 61 -9.546 -4.078 -10.227 502 HA PRO 62 HA PRO 62 -14.748 -7.337 -9.376 503 1HB PRO 62 HB2 PRO 62 -15.813 -7.268 -12.125 504 2HB PRO 62 HB3 PRO 62 -16.677 -7.361 -10.588 505 1HG PRO 62 HG2 PRO 62 -16.696 -5.125 -12.061 506 2HG PRO 62 HG3 PRO 62 -16.659 -5.066 -10.288 507 1HD PRO 62 HD2 PRO 62 -14.416 -4.695 -12.244 508 2HD PRO 62 HD3 PRO 62 -14.782 -3.773 -10.772 509 H SER 63 H SER 63 -14.288 -9.462 -9.771 510 HA SER 63 HA SER 63 -12.001 -10.006 -11.437 511 1HB SER 63 HB2 SER 63 -12.364 -11.033 -9.166 512 2HB SER 63 HB3 SER 63 -13.680 -11.976 -9.865 513 HG SER 63 HG SER 63 -11.067 -12.489 -9.909 514 H SER 64 H SER 64 -12.518 -12.612 -12.294 515 HA SER 64 HA SER 64 -13.610 -12.253 -14.799 516 1HB SER 64 HB2 SER 64 -13.493 -14.816 -13.190 517 2HB SER 64 HB3 SER 64 -13.743 -14.719 -14.933 518 HG SER 64 HG SER 64 -11.638 -14.838 -14.960 519 H THR 65 H THR 65 -15.208 -14.122 -12.208 520 HA THR 65 HA THR 65 -17.790 -13.447 -13.426 521 HB THR 65 HB THR 65 -18.695 -15.308 -12.043 522 HG1 THR 65 HG1 THR 65 -15.939 -15.698 -11.422 523 1HG2 THR 65 1HG2 THR 65 -16.385 -16.048 -13.844 524 2HG2 THR 65 3HG2 THR 65 -17.700 -17.122 -13.366 525 3HG2 THR 65 2HG2 THR 65 -18.036 -15.706 -14.363 526 HA PRO 66 HA PRO 66 -18.903 -10.939 -9.955 527 1HB PRO 66 HB2 PRO 66 -21.575 -11.082 -10.007 528 2HB PRO 66 HB3 PRO 66 -20.677 -10.318 -11.328 529 1HG PRO 66 HG2 PRO 66 -21.753 -13.123 -11.152 530 2HG PRO 66 HG3 PRO 66 -21.947 -11.945 -12.469 531 1HD PRO 66 HD2 PRO 66 -20.082 -13.898 -12.539 532 2HD PRO 66 HD3 PRO 66 -19.796 -12.298 -13.253 533 H MET 67 H MET 67 -18.697 -14.050 -9.699 534 HA MET 67 HA MET 67 -20.452 -14.628 -7.492 535 1HB MET 67 HB2 MET 67 -18.120 -16.197 -8.610 536 2HB MET 67 HB3 MET 67 -19.258 -16.790 -7.406 537 1HG MET 67 HG2 MET 67 -21.077 -16.580 -9.018 538 2HG MET 67 HG3 MET 67 -19.942 -15.978 -10.223 539 1HE MET 67 HE3 MET 67 -21.046 -19.051 -8.052 540 2HE MET 67 HE2 MET 67 -19.840 -20.258 -8.499 541 3HE MET 67 HE1 MET 67 -19.362 -18.836 -7.572 542 H VAL 68 H VAL 68 -17.605 -12.933 -7.776 543 HA VAL 68 HA VAL 68 -17.039 -13.297 -4.914 544 HB VAL 68 HB VAL 68 -14.823 -12.776 -6.878 545 1HG1 VAL 68 1HG1 VAL 68 -14.876 -13.926 -4.088 546 2HG1 VAL 68 3HG1 VAL 68 -13.432 -13.693 -5.073 547 3HG1 VAL 68 2HG1 VAL 68 -14.368 -12.297 -4.537 548 1HG2 VAL 68 2HG2 VAL 68 -15.860 -14.860 -7.585 549 2HG2 VAL 68 1HG2 VAL 68 -14.291 -15.169 -6.843 550 3HG2 VAL 68 3HG2 VAL 68 -15.771 -15.481 -5.937 551 H GLY 69 H GLY 69 -18.588 -11.306 -6.386 552 1HA GLY 69 HA3 GLY 69 -17.918 -8.996 -5.039 553 2HA GLY 69 HA2 GLY 69 -18.868 -9.026 -6.516 554 H VAL 70 H VAL 70 -16.257 -7.655 -5.146 555 HA VAL 70 HA VAL 70 -15.166 -6.887 -7.723 556 HB VAL 70 HB VAL 70 -14.411 -5.873 -4.985 557 1HG1 VAL 70 2HG1 VAL 70 -12.710 -5.488 -6.716 558 2HG1 VAL 70 1HG1 VAL 70 -13.923 -4.696 -7.720 559 3HG1 VAL 70 3HG1 VAL 70 -13.451 -3.981 -6.181 560 1HG2 VAL 70 2HG2 VAL 70 -16.363 -4.746 -6.988 561 2HG2 VAL 70 1HG2 VAL 70 -16.763 -5.451 -5.422 562 3HG2 VAL 70 3HG2 VAL 70 -15.843 -3.948 -5.504 563 H GLY 71 H GLY 71 -12.972 -6.738 -5.136 564 1HA GLY 71 HA3 GLY 71 -10.818 -7.849 -6.242 565 2HA GLY 71 HA2 GLY 71 -11.689 -9.270 -5.689 566 H GLY 72 H GLY 72 -10.585 -6.110 -4.545 567 1HA GLY 72 HA3 GLY 72 -10.677 -6.783 -1.798 568 2HA GLY 72 HA2 GLY 72 -9.821 -5.421 -2.499 569 H ILE 73 H ILE 73 -8.077 -6.728 -4.172 570 HA ILE 73 HA ILE 73 -6.631 -8.650 -2.582 571 HB ILE 73 HB ILE 73 -6.803 -8.049 -5.372 572 1HG1 ILE 73 2HG1 ILE 73 -7.136 -10.213 -4.240 573 2HG1 ILE 73 3HG1 ILE 73 -5.981 -10.309 -5.569 574 1HG2 ILE 73 1HG2 ILE 73 -4.698 -6.848 -5.081 575 2HG2 ILE 73 3HG2 ILE 73 -3.990 -8.264 -4.303 576 3HG2 ILE 73 2HG2 ILE 73 -4.460 -8.333 -6.002 577 1HD1 ILE 73 2HD1 ILE 73 -5.237 -10.089 -2.655 578 2HD1 ILE 73 1HD1 ILE 73 -5.269 -11.589 -3.586 579 3HD1 ILE 73 3HD1 ILE 73 -4.130 -10.310 -4.012 580 H TYR 74 H TYR 74 -6.523 -5.348 -3.273 581 HA TYR 74 HA TYR 74 -4.965 -3.684 -2.943 582 1HB TYR 74 HB2 TYR 74 -4.427 -5.154 -0.371 583 2HB TYR 74 HB3 TYR 74 -4.442 -3.418 -0.653 584 HD1 TYR 74 HD1 TYR 74 -6.554 -2.200 -0.800 585 HD2 TYR 74 HD2 TYR 74 -6.485 -6.372 0.023 586 HE1 TYR 74 HE1 TYR 74 -8.880 -2.087 -0.012 587 HE2 TYR 74 HE2 TYR 74 -8.809 -6.264 0.801 588 HH TYR 74 HH TYR 74 -10.373 -4.595 1.700 589 H VAL 75 H VAL 75 -3.335 -4.119 -4.498 590 HA VAL 75 HA VAL 75 -1.152 -5.890 -3.691 591 HB VAL 75 HB VAL 75 -1.582 -4.386 -6.278 592 1HG1 VAL 75 1HG1 VAL 75 0.541 -6.390 -5.528 593 2HG1 VAL 75 3HG1 VAL 75 0.263 -5.763 -7.152 594 3HG1 VAL 75 2HG1 VAL 75 0.786 -4.677 -5.867 595 1HG2 VAL 75 1HG2 VAL 75 -1.980 -7.267 -5.530 596 2HG2 VAL 75 3HG2 VAL 75 -3.190 -6.122 -6.107 597 3HG2 VAL 75 2HG2 VAL 75 -1.922 -6.689 -7.193 598 H VAL 76 H VAL 76 -0.022 -4.799 -2.115 599 HA VAL 76 HA VAL 76 0.901 -2.085 -2.734 600 HB VAL 76 HB VAL 76 1.183 -3.582 -0.128 601 1HG1 VAL 76 3HG1 VAL 76 2.802 -1.784 -0.433 602 2HG1 VAL 76 2HG1 VAL 76 1.495 -0.657 -0.801 603 3HG1 VAL 76 1HG1 VAL 76 1.622 -1.365 0.811 604 1HG2 VAL 76 1HG2 VAL 76 -1.177 -3.266 -0.689 605 2HG2 VAL 76 3HG2 VAL 76 -0.701 -2.252 0.674 606 3HG2 VAL 76 2HG2 VAL 76 -0.891 -1.543 -0.931 607 H LEU 77 H LEU 77 2.740 -2.045 -3.868 608 HA LEU 77 HA LEU 77 4.825 -4.029 -3.335 609 1HB LEU 77 HB2 LEU 77 4.521 -1.942 -5.491 610 2HB LEU 77 HB3 LEU 77 5.964 -2.920 -5.305 611 HG LEU 77 HG LEU 77 3.182 -3.871 -6.014 612 1HD1 LEU 77 1HD1 LEU 77 5.794 -3.935 -7.518 613 2HD1 LEU 77 3HD1 LEU 77 4.267 -4.619 -8.075 614 3HD1 LEU 77 2HD1 LEU 77 4.425 -2.876 -7.854 615 1HD2 LEU 77 3HD2 LEU 77 5.523 -5.326 -4.950 616 2HD2 LEU 77 2HD2 LEU 77 3.803 -5.695 -4.834 617 3HD2 LEU 77 1HD2 LEU 77 4.682 -6.062 -6.317 618 H VAL 78 H VAL 78 6.180 -3.530 -1.730 619 HA VAL 78 HA VAL 78 6.801 -0.697 -1.278 620 HB VAL 78 HB VAL 78 7.917 -2.467 0.706 621 1HG1 VAL 78 1HG1 VAL 78 5.814 -0.292 0.816 622 2HG1 VAL 78 3HG1 VAL 78 6.613 -1.010 2.218 623 3HG1 VAL 78 2HG1 VAL 78 7.555 -0.086 1.048 624 1HG2 VAL 78 2HG2 VAL 78 6.066 -3.942 0.027 625 2HG2 VAL 78 1HG2 VAL 78 5.870 -3.330 1.669 626 3HG2 VAL 78 3HG2 VAL 78 4.930 -2.634 0.349 627 H LYS 79 H LYS 79 8.476 -0.102 -2.494 628 HA LYS 79 HA LYS 79 10.814 -1.877 -2.648 629 1HB LYS 79 HB2 LYS 79 9.634 0.128 -4.501 630 2HB LYS 79 HB3 LYS 79 11.381 -0.078 -4.523 631 1HG LYS 79 HG2 LYS 79 11.064 -2.489 -4.921 632 2HG LYS 79 HG3 LYS 79 9.311 -2.222 -4.995 633 1HD LYS 79 HD2 LYS 79 11.337 -0.898 -6.803 634 2HD LYS 79 HD3 LYS 79 10.394 -2.328 -7.228 635 1HE LYS 79 HE2 LYS 79 8.327 -1.046 -6.930 636 2HE LYS 79 HE3 LYS 79 9.275 0.383 -6.522 637 1HZ LYS 79 HZ1 LYS 79 9.347 -1.052 -9.121 638 2HZ LYS 79 HZ3 LYS 79 8.566 0.419 -8.829 639 3HZ LYS 79 HZ2 LYS 79 10.252 0.322 -8.731 640 HA PRO 80 HA PRO 80 12.449 1.067 0.424 641 1HB PRO 80 HB2 PRO 80 14.795 -0.701 -0.076 642 2HB PRO 80 HB3 PRO 80 14.103 -0.150 1.453 643 1HG PRO 80 HG2 PRO 80 13.697 -2.638 0.590 644 2HG PRO 80 HG3 PRO 80 12.419 -1.734 1.418 645 1HD PRO 80 HD2 PRO 80 12.723 -2.368 -1.478 646 2HD PRO 80 HD3 PRO 80 11.252 -2.221 -0.497 647 H ARG 81 H ARG 81 12.579 2.893 -0.877 648 HA ARG 81 HA ARG 81 14.288 3.220 -3.079 649 1HB ARG 81 HB2 ARG 81 12.450 4.806 -1.585 650 2HB ARG 81 HB3 ARG 81 13.938 5.724 -1.770 651 1HG ARG 81 HG2 ARG 81 13.825 5.514 -4.161 652 2HG ARG 81 HG3 ARG 81 12.434 4.434 -4.033 653 1HD ARG 81 HD2 ARG 81 11.113 6.227 -3.047 654 2HD ARG 81 HD3 ARG 81 12.503 7.311 -3.132 655 HE ARG 81 HE ARG 81 11.719 6.181 -5.665 656 1HH1 ARG 81 1HH1 ARG 81 11.277 8.805 -3.417 657 2HH1 ARG 81 2HH1 ARG 81 10.685 9.903 -4.617 658 1HH2 ARG 81 1HH2 ARG 81 10.941 7.621 -7.252 659 2HH2 ARG 81 2HH2 ARG 81 10.493 9.230 -6.797 660 H LYS 82 H LYS 82 14.755 3.733 0.364 661 HA LYS 82 HA LYS 82 17.585 4.368 -0.156 662 1HB LYS 82 HB2 LYS 82 15.988 5.132 2.293 663 2HB LYS 82 HB3 LYS 82 17.615 5.655 1.883 664 1HG LYS 82 HG2 LYS 82 16.718 6.854 -0.067 665 2HG LYS 82 HG3 LYS 82 15.089 6.365 0.406 666 1HD LYS 82 HD2 LYS 82 15.373 7.542 2.544 667 2HD LYS 82 HD3 LYS 82 16.979 8.063 2.030 668 1HE LYS 82 HE2 LYS 82 14.382 8.737 0.650 669 2HE LYS 82 HE3 LYS 82 15.301 9.819 1.697 670 1HZ LYS 82 HZ3 LYS 82 16.268 8.667 -0.864 671 2HZ LYS 82 HZ2 LYS 82 15.736 10.256 -0.639 672 3HZ LYS 82 HZ1 LYS 82 17.139 9.718 0.137 673 H ARG 83 H ARG 83 18.703 3.984 2.254 674 HA ARG 83 HA ARG 83 17.968 1.264 3.085 675 1HB ARG 83 HB2 ARG 83 20.751 2.223 2.409 676 2HB ARG 83 HB3 ARG 83 20.391 0.691 3.194 677 1HG ARG 83 HG2 ARG 83 19.087 0.009 1.225 678 2HG ARG 83 HG3 ARG 83 19.516 1.529 0.437 679 1HD ARG 83 HD2 ARG 83 21.465 -0.574 1.371 680 2HD ARG 83 HD3 ARG 83 20.942 -0.331 -0.295 681 HE ARG 83 HE ARG 83 21.985 2.077 0.720 682 1HH1 ARG 83 1HH1 ARG 83 23.014 -1.099 -0.280 683 2HH1 ARG 83 2HH1 ARG 83 24.597 -0.578 -0.752 684 1HH2 ARG 83 1HH2 ARG 83 24.067 2.771 0.100 685 2HH2 ARG 83 2HH2 ARG 83 25.196 1.622 -0.535 686 H GLY 84 H GLY 84 17.773 1.069 5.206 687 1HA GLY 84 HA3 GLY 84 18.619 3.279 6.908 688 2HA GLY 84 HA2 GLY 84 19.329 1.711 7.262 689 H HIS 85 H HIS 85 16.549 3.709 7.530 690 HA HIS 85 HA HIS 85 15.108 1.529 8.889 691 1HB HIS 85 HB2 HIS 85 16.079 3.214 10.455 692 2HB HIS 85 HB3 HIS 85 15.075 4.437 9.688 693 HD1 HIS 85 HD1 HIS 85 12.729 4.675 10.528 694 HD2 HIS 85 HD2 HIS 85 14.546 1.179 11.847 695 HE1 HIS 85 HE1 HIS 85 11.137 3.680 12.202 696 HE2 HIS 85 HE2 HIS 85 12.216 1.519 12.916 697 H HIS 86 H HIS 86 13.536 1.000 7.568 698 HA HIS 86 HA HIS 86 11.807 3.131 6.494 699 1HB HIS 86 HB2 HIS 86 12.498 0.501 5.165 700 2HB HIS 86 HB3 HIS 86 11.371 1.697 4.539 701 HD1 HIS 86 HD1 HIS 86 14.843 2.348 5.921 702 HD2 HIS 86 HD2 HIS 86 12.723 2.594 2.358 703 HE1 HIS 86 HE1 HIS 86 16.389 3.483 4.298 704 HE2 HIS 86 HE2 HIS 86 15.049 3.705 2.176 705 H THR 87 H THR 87 9.550 2.459 6.133 706 HA THR 87 HA THR 87 8.630 0.037 7.388 707 HB THR 87 HB THR 87 7.842 2.661 8.662 708 HG1 THR 87 HG1 THR 87 9.879 2.198 9.401 709 1HG2 THR 87 3HG2 THR 87 6.091 0.942 8.672 710 2HG2 THR 87 2HG2 THR 87 7.218 -0.195 9.414 711 3HG2 THR 87 1HG2 THR 87 6.709 1.247 10.295 712 H LEU 88 H LEU 88 6.465 -0.436 6.970 713 HA LEU 88 HA LEU 88 5.121 1.389 5.086 714 1HB LEU 88 HB2 LEU 88 5.909 -0.548 3.893 715 2HB LEU 88 HB3 LEU 88 5.222 -1.625 5.092 716 HG LEU 88 HG LEU 88 2.949 -0.660 4.413 717 1HD1 LEU 88 1HD1 LEU 88 3.790 1.289 3.217 718 2HD1 LEU 88 3HD1 LEU 88 4.576 0.235 2.044 719 3HD1 LEU 88 2HD1 LEU 88 2.818 0.260 2.164 720 1HD2 LEU 88 2HD2 LEU 88 4.619 -2.372 2.600 721 2HD2 LEU 88 1HD2 LEU 88 3.472 -2.888 3.833 722 3HD2 LEU 88 3HD2 LEU 88 2.892 -2.117 2.356 723 H GLU 89 H GLU 89 3.838 2.350 6.652 724 HA GLU 89 HA GLU 89 2.318 0.823 8.518 725 1HB GLU 89 HB2 GLU 89 2.253 3.717 7.695 726 2HB GLU 89 HB3 GLU 89 1.188 3.044 8.922 727 1HG GLU 89 HG2 GLU 89 3.075 2.401 10.255 728 2HG GLU 89 HG3 GLU 89 4.189 2.983 9.022 729 H LEU 90 H LEU 90 1.088 -0.639 7.274 730 HA LEU 90 HA LEU 90 -0.972 0.562 5.568 731 1HB LEU 90 HB2 LEU 90 -0.079 -2.294 5.917 732 2HB LEU 90 HB3 LEU 90 -1.530 -1.863 5.042 733 HG LEU 90 HG LEU 90 1.292 -1.076 4.321 734 1HD1 LEU 90 3HD1 LEU 90 -0.689 -2.906 2.976 735 2HD1 LEU 90 2HD1 LEU 90 0.899 -2.466 2.348 736 3HD1 LEU 90 1HD1 LEU 90 0.767 -3.401 3.837 737 1HD2 LEU 90 2HD2 LEU 90 -1.325 -0.385 2.991 738 2HD2 LEU 90 1HD2 LEU 90 -0.203 0.738 3.760 739 3HD2 LEU 90 3HD2 LEU 90 0.271 -0.113 2.288 740 H VAL 91 H VAL 91 -2.928 0.908 6.329 741 HA VAL 91 HA VAL 91 -3.812 -0.618 8.688 742 HB VAL 91 HB VAL 91 -3.186 1.662 9.325 743 1HG1 VAL 91 3HG1 VAL 91 -5.208 2.480 7.243 744 2HG1 VAL 91 2HG1 VAL 91 -4.540 3.570 8.460 745 3HG1 VAL 91 1HG1 VAL 91 -3.478 2.832 7.261 746 1HG2 VAL 91 3HG2 VAL 91 -6.158 1.152 9.372 747 2HG2 VAL 91 2HG2 VAL 91 -4.973 0.632 10.570 748 3HG2 VAL 91 1HG2 VAL 91 -5.323 2.348 10.364 749 H TYR 92 H TYR 92 -6.071 -0.914 8.915 750 HA TYR 92 HA TYR 92 -7.512 -0.983 6.371 751 1HB TYR 92 HB2 TYR 92 -7.272 -3.021 7.895 752 2HB TYR 92 HB3 TYR 92 -8.376 -2.203 8.994 753 HD1 TYR 92 HD1 TYR 92 -10.390 -3.329 8.951 754 HD2 TYR 92 HD2 TYR 92 -8.397 -2.553 5.274 755 HE1 TYR 92 HE1 TYR 92 -12.304 -4.262 7.723 756 HE2 TYR 92 HE2 TYR 92 -10.306 -3.482 4.036 757 HH TYR 92 HH TYR 92 -12.173 -5.037 4.424 758 H THR 93 H THR 93 -7.947 1.290 6.314 759 HA THR 93 HA THR 93 -9.941 2.196 8.292 760 HB THR 93 HB THR 93 -7.891 3.436 8.560 761 HG1 THR 93 HG1 THR 93 -9.998 4.556 8.578 762 1HG2 THR 93 2HG2 THR 93 -7.989 3.442 5.619 763 2HG2 THR 93 1HG2 THR 93 -7.502 4.975 6.351 764 3HG2 THR 93 3HG2 THR 93 -6.602 3.500 6.710 765 H ARG 94 H ARG 94 -11.624 3.543 7.591 766 HA ARG 94 HA ARG 94 -12.390 3.177 4.810 767 1HB ARG 94 HB2 ARG 94 -13.816 4.197 7.256 768 2HB ARG 94 HB3 ARG 94 -14.502 4.401 5.652 769 1HG ARG 94 HG2 ARG 94 -14.525 1.999 5.326 770 2HG ARG 94 HG3 ARG 94 -13.773 1.765 6.904 771 1HD ARG 94 HD2 ARG 94 -16.155 1.375 7.061 772 2HD ARG 94 HD3 ARG 94 -15.718 2.820 7.972 773 HE ARG 94 HE ARG 94 -16.434 3.751 5.506 774 1HH1 ARG 94 1HH1 ARG 94 -17.973 1.803 7.951 775 2HH1 ARG 94 2HH1 ARG 94 -19.571 2.336 7.550 776 1HH2 ARG 94 1HH2 ARG 94 -18.533 4.456 4.972 777 2HH2 ARG 94 2HH2 ARG 94 -19.891 3.843 5.857 778 HA PRO 95 HA PRO 95 -10.369 7.193 4.019 779 1HB PRO 95 HB2 PRO 95 -11.211 7.138 1.351 780 2HB PRO 95 HB3 PRO 95 -9.658 6.566 1.962 781 1HG PRO 95 HG2 PRO 95 -12.120 5.022 1.313 782 2HG PRO 95 HG3 PRO 95 -10.422 4.567 1.104 783 1HD PRO 95 HD2 PRO 95 -11.900 3.562 3.088 784 2HD PRO 95 HD3 PRO 95 -10.187 3.959 3.316 785 H PHE 96 H PHE 96 -13.624 6.193 3.105 786 HA PHE 96 HA PHE 96 -14.648 8.722 2.473 787 1HB PHE 96 HB2 PHE 96 -16.023 6.234 3.491 788 2HB PHE 96 HB3 PHE 96 -16.837 7.622 2.798 789 HD1 PHE 96 HD1 PHE 96 -14.500 4.874 2.065 790 HD2 PHE 96 HD2 PHE 96 -17.008 7.917 0.464 791 HE1 PHE 96 HE1 PHE 96 -14.227 3.911 -0.182 792 HE2 PHE 96 HE2 PHE 96 -16.741 6.958 -1.787 793 HZ PHE 96 HZ PHE 96 -15.349 4.952 -2.111 794 H GLU 97 H GLU 97 -14.251 7.027 5.518 795 HA GLU 97 HA GLU 97 -15.612 9.221 6.923 796 1HB GLU 97 HB2 GLU 97 -14.823 6.480 7.931 797 2HB GLU 97 HB3 GLU 97 -15.675 7.703 8.863 798 1HG GLU 97 HG2 GLU 97 -16.698 6.361 6.369 799 2HG GLU 97 HG3 GLU 97 -17.189 5.992 8.022 800 H GLY 98 H GLY 98 -12.960 7.030 7.819 801 1HA GLY 98 HA3 GLY 98 -11.649 9.085 9.335 802 2HA GLY 98 HA2 GLY 98 -10.813 8.728 7.828 803 H ILE 99 H ILE 99 -9.248 8.268 9.755 804 HA ILE 99 HA ILE 99 -9.214 5.361 10.003 805 HB ILE 99 HB ILE 99 -6.964 7.191 10.768 806 1HG1 ILE 99 2HG1 ILE 99 -7.362 6.013 8.016 807 2HG1 ILE 99 3HG1 ILE 99 -7.863 7.655 8.418 808 1HG2 ILE 99 2HG2 ILE 99 -7.299 4.297 10.086 809 2HG2 ILE 99 1HG2 ILE 99 -5.733 5.083 9.869 810 3HG2 ILE 99 3HG2 ILE 99 -6.482 5.034 11.465 811 1HD1 ILE 99 2HD1 ILE 99 -5.545 8.202 8.990 812 2HD1 ILE 99 1HD1 ILE 99 -5.056 6.564 8.556 813 3HD1 ILE 99 3HD1 ILE 99 -5.702 7.648 7.323 814 H LYS 100 H LYS 100 -9.020 4.287 11.927 815 HA LYS 100 HA LYS 100 -9.153 5.853 14.401 816 1HB LYS 100 HB2 LYS 100 -11.055 3.654 13.598 817 2HB LYS 100 HB3 LYS 100 -10.966 4.341 15.203 818 1HG LYS 100 HG2 LYS 100 -11.727 6.454 14.443 819 2HG LYS 100 HG3 LYS 100 -11.531 5.987 12.752 820 1HD LYS 100 HD2 LYS 100 -13.390 4.473 14.550 821 2HD LYS 100 HD3 LYS 100 -13.902 5.982 13.792 822 1HE LYS 100 HE2 LYS 100 -13.479 5.078 11.596 823 2HE LYS 100 HE3 LYS 100 -12.808 3.604 12.296 824 1HZ LYS 100 HZ3 LYS 100 -14.979 3.107 13.235 825 2HZ LYS 100 HZ2 LYS 100 -15.620 4.519 12.561 826 3HZ LYS 100 HZ1 LYS 100 -15.079 3.273 11.555 827 HA PRO 101 HA PRO 101 -6.435 2.854 16.127 828 1HB PRO 101 HB2 PRO 101 -7.438 2.476 18.631 829 2HB PRO 101 HB3 PRO 101 -6.570 3.935 18.146 830 1HG PRO 101 HG2 PRO 101 -9.517 3.468 18.367 831 2HG PRO 101 HG3 PRO 101 -8.568 4.882 18.857 832 1HD PRO 101 HD2 PRO 101 -9.999 4.818 16.565 833 2HD PRO 101 HD3 PRO 101 -8.482 5.727 16.720 834 H GLU 102 H GLU 102 -9.864 2.136 16.655 835 HA GLU 102 HA GLU 102 -9.605 -0.588 17.225 836 1HB GLU 102 HB2 GLU 102 -11.990 -0.741 16.481 837 2HB GLU 102 HB3 GLU 102 -11.675 0.501 17.688 838 1HG GLU 102 HG2 GLU 102 -11.615 2.184 15.936 839 2HG GLU 102 HG3 GLU 102 -11.942 0.942 14.733 840 H ASN 103 H ASN 103 -9.557 1.160 14.229 841 HA ASN 103 HA ASN 103 -10.141 -0.831 12.390 842 1HB ASN 103 HB2 ASN 103 -8.225 1.497 12.230 843 2HB ASN 103 HB3 ASN 103 -8.593 0.468 10.851 844 1HD2 ASN 103 1HD2 ASN 103 -11.065 1.093 13.176 845 2HD2 ASN 103 2HD2 ASN 103 -11.987 2.188 12.213 846 H GLU 104 H GLU 104 -8.898 -2.333 11.242 847 HA GLU 104 HA GLU 104 -7.003 -3.770 12.674 848 1HB GLU 104 HB2 GLU 104 -8.190 -3.834 10.014 849 2HB GLU 104 HB3 GLU 104 -6.543 -4.435 10.046 850 1HG GLU 104 HG2 GLU 104 -7.891 -6.310 10.398 851 2HG GLU 104 HG3 GLU 104 -7.265 -5.888 11.988 852 H ARG 105 H ARG 105 -4.766 -4.274 11.883 853 HA ARG 105 HA ARG 105 -3.396 -1.873 10.869 854 1HB ARG 105 HB2 ARG 105 -3.195 -1.963 13.325 855 2HB ARG 105 HB3 ARG 105 -2.524 -3.578 13.211 856 1HG ARG 105 HG2 ARG 105 -0.608 -2.359 13.464 857 2HG ARG 105 HG3 ARG 105 -0.737 -2.390 11.702 858 1HD ARG 105 HD2 ARG 105 -0.258 -0.144 12.397 859 2HD ARG 105 HD3 ARG 105 -1.915 -0.214 11.791 860 HE ARG 105 HE ARG 105 -1.987 -0.637 14.546 861 1HH1 ARG 105 1HH1 ARG 105 -1.189 1.903 12.296 862 2HH1 ARG 105 2HH1 ARG 105 -1.623 3.180 13.382 863 1HH2 ARG 105 1HH2 ARG 105 -2.563 1.039 15.983 864 2HH2 ARG 105 2HH2 ARG 105 -2.404 2.689 15.478 865 H TYR 106 H TYR 106 -1.203 -2.313 10.090 866 HA TYR 106 HA TYR 106 -0.127 -4.874 9.747 867 1HB TYR 106 HB2 TYR 106 -2.098 -5.066 8.190 868 2HB TYR 106 HB3 TYR 106 -1.360 -3.804 7.202 869 HD1 TYR 106 HD1 TYR 106 -1.217 -7.282 8.268 870 HD2 TYR 106 HD2 TYR 106 0.683 -4.288 5.924 871 HE1 TYR 106 HE1 TYR 106 0.078 -9.015 7.120 872 HE2 TYR 106 HE2 TYR 106 1.990 -6.016 4.767 873 HH TYR 106 HH TYR 106 1.267 -9.324 4.986 874 H THR 107 H THR 107 1.301 -3.144 10.676 875 HA THR 107 HA THR 107 2.510 -1.372 8.714 876 HB THR 107 HB THR 107 3.301 -1.743 11.606 877 HG1 THR 107 HG1 THR 107 1.247 -0.231 10.398 878 1HG2 THR 107 1HG2 THR 107 4.953 -0.601 10.210 879 2HG2 THR 107 3HG2 THR 107 3.718 0.537 9.672 880 3HG2 THR 107 2HG2 THR 107 4.218 0.513 11.363 881 H LEU 108 H LEU 108 3.701 -2.592 7.318 882 HA LEU 108 HA LEU 108 5.419 -4.706 8.221 883 1HB LEU 108 HB2 LEU 108 4.367 -4.843 6.041 884 2HB LEU 108 HB3 LEU 108 5.145 -3.360 5.535 885 HG LEU 108 HG LEU 108 7.315 -4.427 5.543 886 1HD1 LEU 108 3HD1 LEU 108 5.881 -6.881 6.544 887 2HD1 LEU 108 2HD1 LEU 108 7.575 -6.805 6.055 888 3HD1 LEU 108 1HD1 LEU 108 7.020 -5.893 7.459 889 1HD2 LEU 108 2HD2 LEU 108 5.961 -4.659 3.532 890 2HD2 LEU 108 1HD2 LEU 108 6.986 -6.072 3.779 891 3HD2 LEU 108 3HD2 LEU 108 5.268 -6.152 4.164 892 H HIS 109 H HIS 109 6.938 -3.877 9.608 893 HA HIS 109 HA HIS 109 8.522 -1.580 8.922 894 1HB HIS 109 HB2 HIS 109 8.467 -3.515 11.181 895 2HB HIS 109 HB3 HIS 109 9.898 -2.523 10.944 896 HD1 HIS 109 HD1 HIS 109 9.797 -0.166 11.789 897 HD2 HIS 109 HD2 HIS 109 6.067 -1.994 11.694 898 HE1 HIS 109 HE1 HIS 109 8.240 1.426 12.957 899 HE2 HIS 109 HE2 HIS 109 5.972 0.335 12.818 900 H LEU 110 H LEU 110 10.656 -1.532 8.306 901 HA LEU 110 HA LEU 110 11.989 -4.028 7.621 902 1HB LEU 110 HB2 LEU 110 11.474 -1.842 5.604 903 2HB LEU 110 HB3 LEU 110 12.472 -3.257 5.333 904 HG LEU 110 HG LEU 110 9.503 -3.333 5.893 905 1HD1 LEU 110 1HD1 LEU 110 11.004 -3.605 3.292 906 2HD1 LEU 110 3HD1 LEU 110 9.276 -3.878 3.514 907 3HD1 LEU 110 2HD1 LEU 110 9.953 -2.267 3.754 908 1HD2 LEU 110 3HD2 LEU 110 10.805 -5.344 6.563 909 2HD2 LEU 110 2HD2 LEU 110 9.621 -5.648 5.293 910 3HD2 LEU 110 1HD2 LEU 110 11.331 -5.505 4.888 911 H ASN 111 H ASN 111 13.773 -3.726 8.842 912 HA ASN 111 HA ASN 111 15.104 -1.176 9.004 913 1HB ASN 111 HB2 ASN 111 15.047 -2.763 10.924 914 2HB ASN 111 HB3 ASN 111 16.014 -3.896 9.985 915 1HD2 ASN 111 1HD2 ASN 111 17.700 -3.881 11.438 916 2HD2 ASN 111 2HD2 ASN 111 18.756 -2.527 11.627 917 H VAL 112 H VAL 112 15.090 -1.371 6.515 918 HA VAL 112 HA VAL 112 16.593 -3.004 4.966 919 HB VAL 112 HB VAL 112 16.828 -0.054 4.500 920 1HG1 VAL 112 1HG1 VAL 112 17.822 -1.604 2.901 921 2HG1 VAL 112 3HG1 VAL 112 16.259 -2.394 2.693 922 3HG1 VAL 112 2HG1 VAL 112 16.475 -0.721 2.181 923 1HG2 VAL 112 2HG2 VAL 112 14.304 -1.680 4.392 924 2HG2 VAL 112 1HG2 VAL 112 14.585 -0.143 5.208 925 3HG2 VAL 112 3HG2 VAL 112 14.523 -0.207 3.446 926 H LYS 113 H LYS 113 18.697 -3.474 4.679 927 HA LYS 113 HA LYS 113 20.651 -2.411 6.469 928 1HB LYS 113 HB2 LYS 113 20.899 -4.284 4.113 929 2HB LYS 113 HB3 LYS 113 22.220 -3.888 5.203 930 1HG LYS 113 HG2 LYS 113 19.633 -5.162 6.062 931 2HG LYS 113 HG3 LYS 113 21.114 -6.048 5.698 932 1HD LYS 113 HD2 LYS 113 22.277 -4.805 7.470 933 2HD LYS 113 HD3 LYS 113 20.778 -3.953 7.844 934 1HE LYS 113 HE2 LYS 113 21.227 -6.928 8.048 935 2HE LYS 113 HE3 LYS 113 21.158 -5.795 9.397 936 1HZ LYS 113 HZ1 LYS 113 18.934 -6.376 7.518 937 2HZ LYS 113 HZ3 LYS 113 19.060 -6.950 9.104 938 3HZ LYS 113 HZ2 LYS 113 18.869 -5.295 8.816 No H/Q in entry = 938 Start of MODEL 18 1 H1 GLY -2 HT3 GLY -2 -12.591 -22.562 -1.505 2 H2 GLY -2 HT2 GLY -2 -13.131 -21.160 -0.728 3 H3 GLY -2 HT1 GLY -2 -13.543 -21.442 -2.343 4 1HA GLY -2 HA2 GLY -2 -11.798 -19.788 -2.206 5 2HA GLY -2 HA3 GLY -2 -11.241 -21.244 -3.015 6 H SER -1 H SER -1 -9.886 -19.061 -1.401 7 HA SER -1 HA SER -1 -8.150 -20.860 0.077 8 1HB SER -1 HB2 SER -1 -7.127 -19.203 -1.408 9 2HB SER -1 HB3 SER -1 -7.895 -17.898 -0.504 10 HG SER -1 HG SER -1 -5.580 -19.103 -0.008 11 H HIS 0 H HIS 0 -7.938 -20.947 2.245 12 HA HIS 0 HA HIS 0 -9.132 -18.884 3.917 13 1HB HIS 0 HB2 HIS 0 -10.405 -20.541 5.248 14 2HB HIS 0 HB3 HIS 0 -10.990 -20.418 3.592 15 HD1 HIS 0 HD1 HIS 0 -10.822 -22.489 2.121 16 HD2 HIS 0 HD2 HIS 0 -9.082 -22.977 5.862 17 HE1 HIS 0 HE1 HIS 0 -10.350 -24.949 2.326 18 HE2 HIS 0 HE2 HIS 0 -9.220 -25.209 4.563 19 H MET 1 H MET 1 -8.696 -19.365 6.287 20 HA MET 1 HA MET 1 -6.189 -20.864 6.623 21 1HB MET 1 HB2 MET 1 -6.771 -18.119 7.752 22 2HB MET 1 HB3 MET 1 -5.335 -19.077 8.084 23 1HG MET 1 HG2 MET 1 -6.155 -17.996 5.398 24 2HG MET 1 HG3 MET 1 -4.891 -17.343 6.440 25 1HE MET 1 HE2 MET 1 -3.170 -17.447 4.415 26 2HE MET 1 HE1 MET 1 -2.863 -18.903 3.468 27 3HE MET 1 HE3 MET 1 -4.432 -18.103 3.372 28 H ILE 2 H ILE 2 -5.723 -20.592 9.243 29 HA ILE 2 HA ILE 2 -8.213 -21.399 10.592 30 HB ILE 2 HB ILE 2 -6.944 -23.419 10.043 31 1HG1 ILE 2 2HG1 ILE 2 -6.780 -22.774 12.997 32 2HG1 ILE 2 3HG1 ILE 2 -8.245 -23.280 12.161 33 1HG2 ILE 2 1HG2 ILE 2 -4.719 -22.439 9.927 34 2HG2 ILE 2 3HG2 ILE 2 -4.729 -22.178 11.671 35 3HG2 ILE 2 2HG2 ILE 2 -4.738 -23.819 11.025 36 1HD1 ILE 2 2HD1 ILE 2 -7.192 -25.413 11.613 37 2HD1 ILE 2 1HD1 ILE 2 -5.733 -24.907 12.467 38 3HD1 ILE 2 3HD1 ILE 2 -7.241 -25.131 13.354 39 H ALA 3 H ALA 3 -5.116 -19.836 10.725 40 HA ALA 3 HA ALA 3 -4.916 -19.449 13.502 41 1HB ALA 3 HB3 ALA 3 -3.303 -17.708 12.984 42 2HB ALA 3 HB1 ALA 3 -3.830 -17.697 11.301 43 3HB ALA 3 HB2 ALA 3 -3.037 -19.124 11.967 44 HA PRO 4 HA PRO 4 -7.037 -15.087 12.586 45 1HB PRO 4 HB2 PRO 4 -8.854 -16.003 10.417 46 2HB PRO 4 HB3 PRO 4 -8.033 -14.453 10.619 47 1HG PRO 4 HG2 PRO 4 -7.178 -16.217 8.818 48 2HG PRO 4 HG3 PRO 4 -6.028 -15.254 9.767 49 1HD PRO 4 HD2 PRO 4 -6.830 -18.117 10.092 50 2HD PRO 4 HD3 PRO 4 -5.234 -17.364 10.280 51 H LEU 5 H LEU 5 -8.063 -15.359 14.502 52 HA LEU 5 HA LEU 5 -10.752 -16.510 14.412 53 1HB LEU 5 HB2 LEU 5 -8.663 -17.197 16.482 54 2HB LEU 5 HB3 LEU 5 -10.363 -17.605 16.616 55 HG LEU 5 HG LEU 5 -8.523 -18.598 14.434 56 1HD1 LEU 5 2HD1 LEU 5 -7.897 -19.510 16.604 57 2HD1 LEU 5 1HD1 LEU 5 -9.567 -20.001 16.891 58 3HD1 LEU 5 3HD1 LEU 5 -8.639 -20.749 15.590 59 1HD2 LEU 5 3HD2 LEU 5 -10.855 -18.457 13.737 60 2HD2 LEU 5 2HD2 LEU 5 -10.352 -20.138 13.926 61 3HD2 LEU 5 1HD2 LEU 5 -11.346 -19.371 15.165 62 H SER 6 H SER 6 -8.369 -14.736 16.355 63 HA SER 6 HA SER 6 -10.474 -12.841 17.098 64 1HB SER 6 HB2 SER 6 -10.315 -14.399 18.983 65 2HB SER 6 HB3 SER 6 -8.575 -14.128 19.076 66 HG SER 6 HG SER 6 -10.619 -12.207 19.509 67 H VAL 7 H VAL 7 -7.269 -13.541 16.217 68 HA VAL 7 HA VAL 7 -6.567 -10.690 16.442 69 HB VAL 7 HB VAL 7 -4.236 -11.291 16.871 70 1HG1 VAL 7 2HG1 VAL 7 -5.701 -10.880 18.774 71 2HG1 VAL 7 1HG1 VAL 7 -6.147 -12.585 18.812 72 3HG1 VAL 7 3HG1 VAL 7 -4.489 -12.100 19.167 73 1HG2 VAL 7 2HG2 VAL 7 -5.243 -14.133 16.964 74 2HG2 VAL 7 1HG2 VAL 7 -4.165 -13.443 15.750 75 3HG2 VAL 7 3HG2 VAL 7 -3.622 -13.606 17.420 76 H LYS 8 H LYS 8 -4.228 -10.619 15.096 77 HA LYS 8 HA LYS 8 -4.221 -12.110 12.683 78 1HB LYS 8 HB2 LYS 8 -6.153 -10.650 12.213 79 2HB LYS 8 HB3 LYS 8 -5.143 -9.237 12.484 80 1HG LYS 8 HG2 LYS 8 -5.383 -9.593 10.128 81 2HG LYS 8 HG3 LYS 8 -3.717 -9.941 10.594 82 1HD LYS 8 HD2 LYS 8 -4.218 -12.334 10.610 83 2HD LYS 8 HD3 LYS 8 -5.887 -11.991 10.153 84 1HE LYS 8 HE2 LYS 8 -3.433 -11.349 8.522 85 2HE LYS 8 HE3 LYS 8 -4.561 -12.670 8.219 86 1HZ LYS 8 HZ2 LYS 8 -6.310 -11.041 7.853 87 2HZ LYS 8 HZ1 LYS 8 -5.226 -9.775 8.141 88 3HZ LYS 8 HZ3 LYS 8 -5.018 -10.779 6.794 89 H ASP 9 H ASP 9 -2.242 -12.072 11.862 90 HA ASP 9 HA ASP 9 -0.186 -10.600 13.161 91 1HB ASP 9 HB2 ASP 9 0.169 -12.850 12.177 92 2HB ASP 9 HB3 ASP 9 -0.043 -12.158 10.571 93 H ASN 10 H ASN 10 0.452 -8.584 12.772 94 HA ASN 10 HA ASN 10 -0.014 -7.456 10.108 95 1HB ASN 10 HB2 ASN 10 -0.287 -5.249 11.477 96 2HB ASN 10 HB3 ASN 10 -1.648 -6.340 11.288 97 1HD2 ASN 10 1HD2 ASN 10 -0.826 -4.316 13.326 98 2HD2 ASN 10 2HD2 ASN 10 -0.954 -5.153 14.827 99 H ASP 11 H ASP 11 1.281 -5.682 12.766 100 HA ASP 11 HA ASP 11 3.404 -4.556 11.537 101 1HB ASP 11 HB2 ASP 11 3.435 -5.404 14.430 102 2HB ASP 11 HB3 ASP 11 4.284 -4.045 13.703 103 H LYS 12 H LYS 12 4.746 -5.673 10.293 104 HA LYS 12 HA LYS 12 6.075 -8.056 11.337 105 1HB LYS 12 HB2 LYS 12 5.122 -8.341 9.157 106 2HB LYS 12 HB3 LYS 12 5.863 -6.859 8.574 107 1HG LYS 12 HG2 LYS 12 7.072 -8.695 7.677 108 2HG LYS 12 HG3 LYS 12 8.077 -7.911 8.897 109 1HD LYS 12 HD2 LYS 12 7.646 -9.629 10.482 110 2HD LYS 12 HD3 LYS 12 6.372 -10.323 9.476 111 1HE LYS 12 HE2 LYS 12 9.271 -10.173 8.679 112 2HE LYS 12 HE3 LYS 12 8.522 -11.584 9.424 113 1HZ LYS 12 HZ2 LYS 12 7.004 -11.719 7.548 114 2HZ LYS 12 HZ1 LYS 12 7.726 -10.366 6.834 115 3HZ LYS 12 HZ3 LYS 12 8.609 -11.797 7.023 116 H TRP 13 H TRP 13 7.550 -7.141 12.758 117 HA TRP 13 HA TRP 13 9.321 -5.031 11.945 118 1HB TRP 13 HB2 TRP 13 9.647 -6.685 14.424 119 2HB TRP 13 HB3 TRP 13 10.015 -4.988 14.164 120 HD1 TRP 13 HD1 TRP 13 6.972 -7.303 14.645 121 HE1 TRP 13 HE1 TRP 13 5.017 -5.908 15.562 122 HE3 TRP 13 HE3 TRP 13 9.133 -2.669 14.493 123 HZ2 TRP 13 HZ2 TRP 13 4.442 -3.200 16.130 124 HZ3 TRP 13 HZ3 TRP 13 7.817 -0.732 15.251 125 HH2 TRP 13 HH2 TRP 13 5.528 -0.994 16.058 126 H VAL 14 H VAL 14 10.764 -5.608 10.380 127 HA VAL 14 HA VAL 14 12.793 -7.564 11.153 128 HB VAL 14 HB VAL 14 12.676 -8.705 8.915 129 1HG1 VAL 14 1HG1 VAL 14 11.857 -9.676 11.070 130 2HG1 VAL 14 3HG1 VAL 14 10.238 -9.139 10.626 131 3HG1 VAL 14 2HG1 VAL 14 11.082 -10.322 9.625 132 1HG2 VAL 14 1HG2 VAL 14 11.279 -7.025 7.797 133 2HG2 VAL 14 3HG2 VAL 14 10.585 -8.643 7.688 134 3HG2 VAL 14 2HG2 VAL 14 9.924 -7.476 8.834 135 H ASP 15 H ASP 15 14.260 -7.870 9.053 136 HA ASP 15 HA ASP 15 15.204 -5.182 8.401 137 1HB ASP 15 HB2 ASP 15 16.412 -7.880 8.655 138 2HB ASP 15 HB3 ASP 15 17.148 -6.789 7.480 139 H THR 16 H THR 16 16.545 -5.463 6.082 140 HA THR 16 HA THR 16 15.252 -6.952 4.065 141 HB THR 16 HB THR 16 13.472 -5.200 4.734 142 HG1 THR 16 HG1 THR 16 12.698 -5.657 2.810 143 1HG2 THR 16 1HG2 THR 16 14.976 -3.263 4.749 144 2HG2 THR 16 3HG2 THR 16 15.262 -3.479 3.023 145 3HG2 THR 16 2HG2 THR 16 13.653 -3.053 3.602 146 H HIS 17 H HIS 17 15.561 -5.652 1.825 147 HA HIS 17 HA HIS 17 18.353 -4.711 1.812 148 1HB HIS 17 HB2 HIS 17 16.790 -6.429 -0.090 149 2HB HIS 17 HB3 HIS 17 18.165 -5.500 -0.678 150 HD1 HIS 17 HD1 HIS 17 17.267 -8.451 1.414 151 HD2 HIS 17 HD2 HIS 17 20.678 -6.400 0.224 152 HE1 HIS 17 HE1 HIS 17 19.196 -9.948 2.018 153 HE2 HIS 17 HE2 HIS 17 21.254 -8.649 1.364 154 H VAL 18 H VAL 18 18.309 -3.805 -0.899 155 HA VAL 18 HA VAL 18 16.673 -1.394 -0.528 156 HB VAL 18 HB VAL 18 18.961 -1.771 -2.459 157 1HG1 VAL 18 1HG1 VAL 18 17.483 0.684 -1.512 158 2HG1 VAL 18 3HG1 VAL 18 18.926 0.699 -2.526 159 3HG1 VAL 18 2HG1 VAL 18 17.433 -0.020 -3.128 160 1HG2 VAL 18 1HG2 VAL 18 18.950 -0.505 0.278 161 2HG2 VAL 18 3HG2 VAL 18 19.767 -1.999 -0.178 162 3HG2 VAL 18 2HG2 VAL 18 20.293 -0.462 -0.863 163 H GLY 19 H GLY 19 15.071 -0.868 -1.834 164 1HA GLY 19 HA3 GLY 19 14.814 -1.436 -4.553 165 2HA GLY 19 HA2 GLY 19 13.497 -1.002 -3.481 166 H LYS 20 H LYS 20 14.421 -3.582 -1.927 167 HA LYS 20 HA LYS 20 13.799 -5.756 -3.601 168 1HB LYS 20 HB2 LYS 20 14.695 -5.501 -1.036 169 2HB LYS 20 HB3 LYS 20 13.049 -6.036 -0.767 170 1HG LYS 20 HG2 LYS 20 14.241 -8.011 -0.836 171 2HG LYS 20 HG3 LYS 20 13.592 -7.878 -2.475 172 1HD LYS 20 HD2 LYS 20 15.653 -7.153 -3.342 173 2HD LYS 20 HD3 LYS 20 16.280 -6.804 -1.735 174 1HE LYS 20 HE2 LYS 20 15.677 -9.536 -2.867 175 2HE LYS 20 HE3 LYS 20 17.281 -8.840 -2.635 176 1HZ LYS 20 HZ2 LYS 20 16.865 -8.783 -0.251 177 2HZ LYS 20 HZ1 LYS 20 15.334 -9.463 -0.480 178 3HZ LYS 20 HZ3 LYS 20 16.723 -10.358 -0.850 179 H THR 21 H THR 21 12.007 -5.060 -4.797 180 HA THR 21 HA THR 21 9.620 -4.048 -3.968 181 HB THR 21 HB THR 21 9.762 -6.215 -6.058 182 HG1 THR 21 HG1 THR 21 11.444 -4.626 -6.362 183 1HG2 THR 21 2HG2 THR 21 8.064 -3.731 -5.777 184 2HG2 THR 21 1HG2 THR 21 8.006 -4.864 -7.127 185 3HG2 THR 21 3HG2 THR 21 7.530 -5.391 -5.512 186 H THR 22 H THR 22 8.741 -4.743 -2.093 187 HA THR 22 HA THR 22 8.215 -7.587 -1.714 188 HB THR 22 HB THR 22 7.790 -5.228 0.134 189 HG1 THR 22 HG1 THR 22 9.954 -6.597 -0.452 190 1HG2 THR 22 1HG2 THR 22 6.133 -6.997 0.554 191 2HG2 THR 22 3HG2 THR 22 7.438 -8.174 0.702 192 3HG2 THR 22 2HG2 THR 22 7.294 -6.863 1.875 193 H GLU 23 H GLU 23 6.582 -8.146 -3.011 194 HA GLU 23 HA GLU 23 4.227 -6.554 -3.331 195 1HB GLU 23 HB2 GLU 23 5.164 -7.938 -5.140 196 2HB GLU 23 HB3 GLU 23 4.847 -9.382 -4.190 197 1HG GLU 23 HG2 GLU 23 2.503 -9.084 -4.353 198 2HG GLU 23 HG3 GLU 23 2.705 -7.465 -5.021 199 H ILE 24 H ILE 24 2.339 -6.740 -2.309 200 HA ILE 24 HA ILE 24 1.900 -9.064 -0.572 201 HB ILE 24 HB ILE 24 1.327 -6.228 0.248 202 1HG1 ILE 24 2HG1 ILE 24 3.547 -8.075 1.145 203 2HG1 ILE 24 3HG1 ILE 24 3.747 -6.639 0.148 204 1HG2 ILE 24 2HG2 ILE 24 -0.174 -7.918 1.194 205 2HG2 ILE 24 1HG2 ILE 24 1.220 -8.804 1.812 206 3HG2 ILE 24 3HG2 ILE 24 0.854 -7.195 2.432 207 1HD1 ILE 24 1HD1 ILE 24 2.883 -5.277 2.024 208 2HD1 ILE 24 3HD1 ILE 24 2.860 -6.736 3.017 209 3HD1 ILE 24 2HD1 ILE 24 4.387 -6.121 2.384 210 H HIS 25 H HIS 25 0.209 -9.999 -1.543 211 HA HIS 25 HA HIS 25 -1.976 -8.407 -2.593 212 1HB HIS 25 HB2 HIS 25 -1.921 -11.409 -2.405 213 2HB HIS 25 HB3 HIS 25 -2.801 -10.401 -3.540 214 HD1 HIS 25 HD1 HIS 25 -0.095 -12.601 -3.548 215 HD2 HIS 25 HD2 HIS 25 -0.691 -8.813 -5.147 216 HE1 HIS 25 HE1 HIS 25 1.601 -12.375 -5.389 217 HE2 HIS 25 HE2 HIS 25 1.126 -10.131 -6.430 218 H LEU 26 H LEU 26 -2.917 -7.502 -0.778 219 HA LEU 26 HA LEU 26 -3.754 -9.221 1.416 220 1HB LEU 26 HB2 LEU 26 -4.233 -6.279 0.997 221 2HB LEU 26 HB3 LEU 26 -4.518 -7.167 2.476 222 HG LEU 26 HG LEU 26 -1.764 -6.980 1.286 223 1HD1 LEU 26 2HD1 LEU 26 -2.574 -4.696 1.543 224 2HD1 LEU 26 1HD1 LEU 26 -3.043 -5.040 3.208 225 3HD1 LEU 26 3HD1 LEU 26 -1.341 -5.068 2.746 226 1HD2 LEU 26 3HD2 LEU 26 -2.291 -8.651 3.072 227 2HD2 LEU 26 2HD2 LEU 26 -1.038 -7.486 3.504 228 3HD2 LEU 26 1HD2 LEU 26 -2.672 -7.302 4.142 229 H LYS 27 H LYS 27 -5.884 -9.638 1.948 230 HA LYS 27 HA LYS 27 -7.781 -9.218 -0.247 231 1HB LYS 27 HB2 LYS 27 -7.997 -11.140 2.067 232 2HB LYS 27 HB3 LYS 27 -9.052 -11.066 0.666 233 1HG LYS 27 HG2 LYS 27 -7.406 -11.896 -0.770 234 2HG LYS 27 HG3 LYS 27 -6.112 -11.588 0.387 235 1HD LYS 27 HD2 LYS 27 -7.055 -13.315 1.868 236 2HD LYS 27 HD3 LYS 27 -8.314 -13.635 0.673 237 1HE LYS 27 HE2 LYS 27 -6.522 -15.275 0.506 238 2HE LYS 27 HE3 LYS 27 -6.610 -14.288 -0.952 239 1HZ LYS 27 HZ1 LYS 27 -4.682 -13.906 1.275 240 2HZ LYS 27 HZ3 LYS 27 -4.328 -14.598 -0.228 241 3HZ LYS 27 HZ2 LYS 27 -4.764 -12.967 -0.130 242 H GLY 28 H GLY 28 -10.087 -8.951 0.438 243 1HA GLY 28 HA3 GLY 28 -10.290 -6.592 2.006 244 2HA GLY 28 HA2 GLY 28 -10.881 -7.976 2.909 245 H ASN 29 H ASN 29 -12.059 -5.482 1.462 246 HA ASN 29 HA ASN 29 -13.779 -6.395 -0.567 247 1HB ASN 29 HB2 ASN 29 -14.623 -7.670 1.508 248 2HB ASN 29 HB3 ASN 29 -15.225 -6.111 2.059 249 1HD2 ASN 29 1HD2 ASN 29 -17.358 -6.718 1.961 250 2HD2 ASN 29 2HD2 ASN 29 -18.192 -6.968 0.469 251 HA PRO 30 HA PRO 30 -13.297 -1.817 -0.232 252 1HB PRO 30 HB2 PRO 30 -14.051 -1.499 -2.892 253 2HB PRO 30 HB3 PRO 30 -12.394 -1.634 -2.302 254 1HG PRO 30 HG2 PRO 30 -14.160 -3.720 -3.494 255 2HG PRO 30 HG3 PRO 30 -12.416 -3.472 -3.698 256 1HD PRO 30 HD2 PRO 30 -13.371 -5.409 -2.118 257 2HD PRO 30 HD3 PRO 30 -11.910 -4.501 -1.679 258 H THR 31 H THR 31 -15.982 -3.798 -1.274 259 HA THR 31 HA THR 31 -17.825 -1.602 -1.472 260 HB THR 31 HB THR 31 -18.161 -3.628 -2.813 261 HG1 THR 31 HG1 THR 31 -20.431 -3.852 -1.353 262 1HG2 THR 31 3HG2 THR 31 -18.746 -4.941 -0.162 263 2HG2 THR 31 2HG2 THR 31 -18.997 -5.671 -1.747 264 3HG2 THR 31 1HG2 THR 31 -17.366 -5.276 -1.206 265 H THR 32 H THR 32 -16.324 -2.454 1.138 266 HA THR 32 HA THR 32 -18.660 -2.711 2.890 267 HB THR 32 HB THR 32 -17.022 -3.102 4.709 268 HG1 THR 32 HG1 THR 32 -15.151 -2.172 4.127 269 1HG2 THR 32 2HG2 THR 32 -16.664 -4.872 2.288 270 2HG2 THR 32 1HG2 THR 32 -16.277 -5.315 3.951 271 3HG2 THR 32 3HG2 THR 32 -17.949 -5.001 3.489 272 H GLY 33 H GLY 33 -15.614 -0.838 2.861 273 1HA GLY 33 HA3 GLY 33 -16.747 1.169 4.592 274 2HA GLY 33 HA2 GLY 33 -16.579 1.699 2.926 275 H TYR 34 H TYR 34 -14.429 -0.404 4.809 276 HA TYR 34 HA TYR 34 -12.472 1.700 5.111 277 1HB TYR 34 HB2 TYR 34 -12.368 -1.233 5.829 278 2HB TYR 34 HB3 TYR 34 -11.108 -0.066 6.212 279 HD1 TYR 34 HD1 TYR 34 -14.660 -0.919 6.840 280 HD2 TYR 34 HD2 TYR 34 -11.262 1.297 8.141 281 HE1 TYR 34 HE1 TYR 34 -15.825 -0.370 8.935 282 HE2 TYR 34 HE2 TYR 34 -12.423 1.848 10.237 283 HH TYR 34 HH TYR 34 -15.260 0.290 11.238 284 H MET 35 H MET 35 -10.091 0.894 4.665 285 HA MET 35 HA MET 35 -9.835 -0.441 2.100 286 1HB MET 35 HB2 MET 35 -9.939 1.690 1.209 287 2HB MET 35 HB3 MET 35 -9.289 2.434 2.666 288 1HG MET 35 HG2 MET 35 -7.083 1.506 2.123 289 2HG MET 35 HG3 MET 35 -7.750 0.874 0.635 290 1HE MET 35 HE3 MET 35 -9.698 2.977 -0.333 291 2HE MET 35 HE2 MET 35 -8.782 4.190 -1.228 292 3HE MET 35 HE1 MET 35 -8.474 2.475 -1.497 293 H TRP 36 H TRP 36 -7.769 -1.246 1.740 294 HA TRP 36 HA TRP 36 -6.045 -1.268 4.115 295 1HB TRP 36 HB2 TRP 36 -6.757 -3.263 2.105 296 2HB TRP 36 HB3 TRP 36 -5.031 -3.155 2.399 297 HD1 TRP 36 HD1 TRP 36 -7.852 -5.058 3.548 298 HE1 TRP 36 HE1 TRP 36 -7.492 -5.992 5.922 299 HE3 TRP 36 HE3 TRP 36 -3.886 -2.167 4.960 300 HZ2 TRP 36 HZ2 TRP 36 -5.755 -5.555 8.099 301 HZ3 TRP 36 HZ3 TRP 36 -2.935 -2.488 7.202 302 HH2 TRP 36 HH2 TRP 36 -3.855 -4.146 8.737 303 H THR 37 H THR 37 -5.210 0.821 3.590 304 HA THR 37 HA THR 37 -3.226 0.735 1.408 305 HB THR 37 HB THR 37 -5.163 2.260 0.925 306 HG1 THR 37 HG1 THR 37 -3.728 3.381 -0.149 307 1HG2 THR 37 1HG2 THR 37 -4.019 3.786 3.273 308 2HG2 THR 37 3HG2 THR 37 -5.220 4.415 2.144 309 3HG2 THR 37 2HG2 THR 37 -5.617 3.043 3.181 310 H ARG 38 H ARG 38 -1.921 3.170 2.044 311 HA ARG 38 HA ARG 38 -0.502 2.319 4.430 312 1HB ARG 38 HB2 ARG 38 0.127 3.981 2.092 313 2HB ARG 38 HB3 ARG 38 0.780 4.595 3.599 314 1HG ARG 38 HG2 ARG 38 2.025 2.651 3.977 315 2HG ARG 38 HG3 ARG 38 1.182 1.775 2.698 316 1HD ARG 38 HD2 ARG 38 3.499 2.623 2.167 317 2HD ARG 38 HD3 ARG 38 2.260 2.999 1.004 318 HE ARG 38 HE ARG 38 2.268 5.262 1.921 319 1HH1 ARG 38 1HH1 ARG 38 4.918 3.177 2.796 320 2HH1 ARG 38 2HH1 ARG 38 6.020 4.480 3.090 321 1HH2 ARG 38 1HH2 ARG 38 3.732 6.992 2.291 322 2HH2 ARG 38 2HH2 ARG 38 5.346 6.643 2.806 323 H VAL 39 H VAL 39 -0.454 3.343 6.346 324 HA VAL 39 HA VAL 39 -2.549 4.868 7.255 325 HB VAL 39 HB VAL 39 0.259 4.963 8.372 326 1HG1 VAL 39 1HG1 VAL 39 -2.425 5.418 9.670 327 2HG1 VAL 39 3HG1 VAL 39 -0.875 5.378 10.512 328 3HG1 VAL 39 2HG1 VAL 39 -1.204 6.644 9.329 329 1HG2 VAL 39 1HG2 VAL 39 -0.720 2.648 7.973 330 2HG2 VAL 39 3HG2 VAL 39 -0.187 3.017 9.613 331 3HG2 VAL 39 2HG2 VAL 39 -1.907 3.055 9.214 332 H GLY 40 H GLY 40 -2.785 7.063 7.857 333 1HA GLY 40 HA3 GLY 40 -0.905 9.079 7.181 334 2HA GLY 40 HA2 GLY 40 -2.589 9.340 7.616 335 H PHE 41 H PHE 41 -2.678 7.196 5.165 336 HA PHE 41 HA PHE 41 -2.974 9.322 3.155 337 1HB PHE 41 HB2 PHE 41 -1.848 6.550 2.709 338 2HB PHE 41 HB3 PHE 41 -2.109 7.762 1.457 339 HD1 PHE 41 HD1 PHE 41 -1.179 10.198 2.682 340 HD2 PHE 41 HD2 PHE 41 0.439 6.276 2.923 341 HE1 PHE 41 HE1 PHE 41 1.048 11.151 3.131 342 HE2 PHE 41 HE2 PHE 41 2.664 7.216 3.379 343 HZ PHE 41 HZ PHE 41 2.974 9.656 3.482 344 H VAL 42 H VAL 42 -5.017 8.511 4.729 345 HA VAL 42 HA VAL 42 -6.587 6.466 3.458 346 HB VAL 42 HB VAL 42 -6.871 6.680 5.796 347 1HG1 VAL 42 3HG1 VAL 42 -6.047 8.959 6.047 348 2HG1 VAL 42 2HG1 VAL 42 -7.557 9.581 5.381 349 3HG1 VAL 42 1HG1 VAL 42 -7.561 8.719 6.920 350 1HG2 VAL 42 2HG2 VAL 42 -8.932 6.220 4.542 351 2HG2 VAL 42 1HG2 VAL 42 -9.250 7.076 6.050 352 3HG2 VAL 42 3HG2 VAL 42 -9.287 7.947 4.519 353 H GLY 43 H GLY 43 -7.113 7.007 1.385 354 1HA GLY 43 HA3 GLY 43 -8.804 9.408 1.076 355 2HA GLY 43 HA2 GLY 43 -9.023 7.920 0.170 356 H LYS 44 H LYS 44 -5.778 8.975 0.634 357 HA LYS 44 HA LYS 44 -5.607 10.653 -1.660 358 1HB LYS 44 HB2 LYS 44 -3.479 9.260 -0.035 359 2HB LYS 44 HB3 LYS 44 -3.147 10.415 -1.314 360 1HG LYS 44 HG2 LYS 44 -4.528 12.076 -0.013 361 2HG LYS 44 HG3 LYS 44 -4.512 10.912 1.314 362 1HD LYS 44 HD2 LYS 44 -2.047 10.955 1.284 363 2HD LYS 44 HD3 LYS 44 -2.102 12.179 0.015 364 1HE LYS 44 HE2 LYS 44 -3.306 13.686 1.520 365 2HE LYS 44 HE3 LYS 44 -3.253 12.462 2.789 366 1HZ LYS 44 HZ2 LYS 44 -0.840 12.596 2.765 367 2HZ LYS 44 HZ1 LYS 44 -0.892 13.772 1.550 368 3HZ LYS 44 HZ3 LYS 44 -1.520 14.111 3.085 369 H ASP 45 H ASP 45 -3.852 10.102 -3.356 370 HA ASP 45 HA ASP 45 -4.677 7.634 -4.635 371 1HB ASP 45 HB2 ASP 45 -3.324 10.147 -5.488 372 2HB ASP 45 HB3 ASP 45 -3.044 8.695 -6.437 373 H VAL 46 H VAL 46 -1.546 9.257 -4.149 374 HA VAL 46 HA VAL 46 -0.212 6.650 -4.228 375 HB VAL 46 HB VAL 46 0.644 8.550 -5.628 376 1HG1 VAL 46 1HG1 VAL 46 0.259 10.351 -4.022 377 2HG1 VAL 46 3HG1 VAL 46 1.490 9.666 -2.959 378 3HG1 VAL 46 2HG1 VAL 46 1.944 10.302 -4.541 379 1HG2 VAL 46 3HG2 VAL 46 2.534 7.412 -3.570 380 2HG2 VAL 46 2HG2 VAL 46 2.057 6.647 -5.086 381 3HG2 VAL 46 1HG2 VAL 46 3.006 8.132 -5.109 382 H LEU 47 H LEU 47 1.100 5.905 -2.609 383 HA LEU 47 HA LEU 47 0.626 7.113 0.023 384 1HB LEU 47 HB2 LEU 47 1.739 4.375 -0.345 385 2HB LEU 47 HB3 LEU 47 0.744 5.005 0.950 386 HG LEU 47 HG LEU 47 -0.227 4.385 -1.840 387 1HD1 LEU 47 1HD1 LEU 47 -0.589 2.885 0.748 388 2HD1 LEU 47 3HD1 LEU 47 -1.425 2.524 -0.763 389 3HD1 LEU 47 2HD1 LEU 47 0.328 2.350 -0.660 390 1HD2 LEU 47 1HD2 LEU 47 -1.714 5.242 0.636 391 2HD2 LEU 47 3HD2 LEU 47 -1.494 6.184 -0.839 392 3HD2 LEU 47 2HD2 LEU 47 -2.464 4.710 -0.869 393 H SER 48 H SER 48 3.121 5.396 -1.805 394 HA SER 48 HA SER 48 5.319 5.794 -0.231 395 1HB SER 48 HB2 SER 48 6.632 5.409 -2.190 396 2HB SER 48 HB3 SER 48 5.153 4.476 -2.377 397 HG SER 48 HG SER 48 6.078 6.088 -4.117 398 H ASP 49 H ASP 49 7.273 7.220 -0.934 399 HA ASP 49 HA ASP 49 6.578 9.870 -1.844 400 1HB ASP 49 HB2 ASP 49 7.324 9.344 1.027 401 2HB ASP 49 HB3 ASP 49 7.560 10.917 0.270 402 H GLU 50 H GLU 50 9.171 9.144 0.399 403 HA GLU 50 HA GLU 50 11.103 9.210 -1.815 404 1HB GLU 50 HB2 GLU 50 12.532 10.676 -0.509 405 2HB GLU 50 HB3 GLU 50 10.946 11.409 -0.721 406 1HG GLU 50 HG2 GLU 50 10.319 10.669 1.532 407 2HG GLU 50 HG3 GLU 50 11.942 10.015 1.750 408 H ILE 51 H ILE 51 10.267 8.131 1.398 409 HA ILE 51 HA ILE 51 12.716 6.766 1.934 410 HB ILE 51 HB ILE 51 10.030 6.215 3.183 411 1HG1 ILE 51 2HG1 ILE 51 10.590 8.644 3.201 412 2HG1 ILE 51 3HG1 ILE 51 10.513 7.929 4.805 413 1HG2 ILE 51 1HG2 ILE 51 12.856 5.841 4.164 414 2HG2 ILE 51 3HG2 ILE 51 11.406 5.585 5.136 415 3HG2 ILE 51 2HG2 ILE 51 11.712 4.573 3.724 416 1HD1 ILE 51 3HD1 ILE 51 13.048 8.457 3.272 417 2HD1 ILE 51 2HD1 ILE 51 12.389 9.492 4.540 418 3HD1 ILE 51 1HD1 ILE 51 12.924 7.856 4.926 419 H LEU 52 H LEU 52 9.489 5.311 1.710 420 HA LEU 52 HA LEU 52 10.713 2.984 0.385 421 1HB LEU 52 HB2 LEU 52 8.181 3.297 1.985 422 2HB LEU 52 HB3 LEU 52 8.508 1.873 1.021 423 HG LEU 52 HG LEU 52 10.146 2.830 3.365 424 1HD1 LEU 52 3HD1 LEU 52 7.925 1.877 3.916 425 2HD1 LEU 52 2HD1 LEU 52 8.401 0.395 3.088 426 3HD1 LEU 52 1HD1 LEU 52 9.275 0.920 4.526 427 1HD2 LEU 52 2HD2 LEU 52 10.442 0.396 1.618 428 2HD2 LEU 52 1HD2 LEU 52 11.563 1.752 1.733 429 3HD2 LEU 52 3HD2 LEU 52 11.326 0.685 3.117 430 H GLU 53 H GLU 53 10.443 2.867 -1.767 431 HA GLU 53 HA GLU 53 8.473 4.362 -3.168 432 1HB GLU 53 HB2 GLU 53 10.649 2.528 -3.826 433 2HB GLU 53 HB3 GLU 53 9.262 2.334 -4.887 434 1HG GLU 53 HG2 GLU 53 10.076 5.100 -4.398 435 2HG GLU 53 HG3 GLU 53 11.254 4.109 -5.255 436 H VAL 54 H VAL 54 6.717 3.547 -1.712 437 HA VAL 54 HA VAL 54 5.807 0.859 -2.028 438 HB VAL 54 HB VAL 54 4.197 3.158 -0.944 439 1HG1 VAL 54 1HG1 VAL 54 2.978 1.091 -1.396 440 2HG1 VAL 54 3HG1 VAL 54 4.130 0.191 -0.409 441 3HG1 VAL 54 2HG1 VAL 54 3.087 1.400 0.338 442 1HG2 VAL 54 1HG2 VAL 54 6.358 1.537 0.361 443 2HG2 VAL 54 3HG2 VAL 54 6.170 3.288 0.314 444 3HG2 VAL 54 2HG2 VAL 54 5.081 2.310 1.296 445 H VAL 55 H VAL 55 5.558 0.643 -4.284 446 HA VAL 55 HA VAL 55 3.593 2.264 -5.644 447 HB VAL 55 HB VAL 55 4.857 -0.293 -6.618 448 1HG1 VAL 55 1HG1 VAL 55 2.797 0.603 -7.752 449 2HG1 VAL 55 3HG1 VAL 55 3.755 2.010 -8.209 450 3HG1 VAL 55 2HG1 VAL 55 4.209 0.408 -8.791 451 1HG2 VAL 55 3HG2 VAL 55 5.829 2.543 -6.969 452 2HG2 VAL 55 2HG2 VAL 55 6.618 1.281 -6.023 453 3HG2 VAL 55 1HG2 VAL 55 6.499 1.125 -7.776 454 H CYS 56 H CYS 56 1.764 1.900 -4.439 455 HA CYS 56 HA CYS 56 0.736 -0.838 -4.305 456 1HB CYS 56 HB2 CYS 56 0.782 0.284 -2.172 457 2HB CYS 56 HB3 CYS 56 -0.084 1.667 -2.831 458 HG CYS 56 HG CYS 56 -1.493 -0.381 -1.092 459 H LYS 57 H LYS 57 -0.923 -1.486 -5.468 460 HA LYS 57 HA LYS 57 -2.531 0.535 -6.876 461 1HB LYS 57 HB2 LYS 57 -2.037 -2.236 -7.921 462 2HB LYS 57 HB3 LYS 57 -2.643 -0.837 -8.791 463 1HG LYS 57 HG2 LYS 57 -0.446 0.225 -8.613 464 2HG LYS 57 HG3 LYS 57 0.164 -1.196 -7.761 465 1HD LYS 57 HD2 LYS 57 -0.326 -2.580 -9.720 466 2HD LYS 57 HD3 LYS 57 -0.934 -1.159 -10.572 467 1HE LYS 57 HE2 LYS 57 1.272 -0.118 -10.413 468 2HE LYS 57 HE3 LYS 57 1.880 -1.535 -9.558 469 1HZ LYS 57 HZ2 LYS 57 1.407 -2.872 -11.518 470 2HZ LYS 57 HZ1 LYS 57 0.836 -1.507 -12.337 471 3HZ LYS 57 HZ3 LYS 57 2.465 -1.608 -11.893 472 H TYR 58 H TYR 58 -4.435 0.595 -5.942 473 HA TYR 58 HA TYR 58 -5.554 -1.694 -4.588 474 1HB TYR 58 HB2 TYR 58 -5.753 0.723 -3.795 475 2HB TYR 58 HB3 TYR 58 -6.904 0.963 -5.106 476 HD1 TYR 58 HD1 TYR 58 -8.500 -1.490 -5.022 477 HD2 TYR 58 HD2 TYR 58 -6.945 0.865 -1.813 478 HE1 TYR 58 HE1 TYR 58 -10.312 -2.291 -3.580 479 HE2 TYR 58 HE2 TYR 58 -8.782 0.078 -0.375 480 HH TYR 58 HH TYR 58 -10.781 -2.535 -1.178 481 H THR 59 H THR 59 -6.457 -3.254 -5.757 482 HA THR 59 HA THR 59 -8.007 -2.511 -8.156 483 HB THR 59 HB THR 59 -6.881 -5.256 -7.652 484 HG1 THR 59 HG1 THR 59 -5.133 -4.494 -9.082 485 1HG2 THR 59 2HG2 THR 59 -8.614 -4.944 -9.399 486 2HG2 THR 59 1HG2 THR 59 -7.559 -3.784 -10.205 487 3HG2 THR 59 3HG2 THR 59 -7.067 -5.471 -10.060 488 HA PRO 60 HA PRO 60 -11.279 -4.524 -5.779 489 1HB PRO 60 HB2 PRO 60 -13.211 -2.828 -6.351 490 2HB PRO 60 HB3 PRO 60 -11.853 -2.280 -5.361 491 1HG PRO 60 HG2 PRO 60 -12.447 -1.762 -8.241 492 2HG PRO 60 HG3 PRO 60 -11.694 -0.693 -7.042 493 1HD PRO 60 HD2 PRO 60 -10.386 -2.333 -8.956 494 2HD PRO 60 HD3 PRO 60 -9.631 -1.397 -7.649 495 H THR 61 H THR 61 -10.485 -4.772 -8.848 496 HA THR 61 HA THR 61 -12.997 -5.336 -10.066 497 HB THR 61 HB THR 61 -10.234 -5.833 -11.121 498 HG1 THR 61 HG1 THR 61 -11.457 -3.938 -12.460 499 1HG2 THR 61 3HG2 THR 61 -12.900 -5.903 -12.539 500 2HG2 THR 61 2HG2 THR 61 -11.322 -6.029 -13.316 501 3HG2 THR 61 1HG2 THR 61 -11.863 -7.290 -12.209 502 HA PRO 62 HA PRO 62 -10.828 -9.862 -9.931 503 1HB PRO 62 HB2 PRO 62 -10.104 -9.360 -7.075 504 2HB PRO 62 HB3 PRO 62 -9.320 -10.404 -8.264 505 1HG PRO 62 HG2 PRO 62 -8.348 -7.970 -7.635 506 2HG PRO 62 HG3 PRO 62 -8.208 -8.654 -9.264 507 1HD PRO 62 HD2 PRO 62 -9.902 -6.433 -8.315 508 2HD PRO 62 HD3 PRO 62 -9.397 -6.834 -9.958 509 H SER 63 H SER 63 -12.996 -10.467 -10.086 510 HA SER 63 HA SER 63 -14.868 -10.197 -7.986 511 1HB SER 63 HB2 SER 63 -14.859 -12.007 -10.410 512 2HB SER 63 HB3 SER 63 -16.244 -11.732 -9.362 513 HG SER 63 HG SER 63 -15.247 -9.377 -10.118 514 H SER 64 H SER 64 -15.179 -11.400 -6.229 515 HA SER 64 HA SER 64 -13.970 -14.087 -6.137 516 1HB SER 64 HB2 SER 64 -12.684 -12.541 -4.737 517 2HB SER 64 HB3 SER 64 -14.154 -12.073 -3.882 518 HG SER 64 HG SER 64 -13.033 -13.642 -2.705 519 H THR 65 H THR 65 -16.710 -12.085 -5.550 520 HA THR 65 HA THR 65 -18.164 -13.677 -3.759 521 HB THR 65 HB THR 65 -20.174 -12.538 -4.630 522 HG1 THR 65 HG1 THR 65 -19.366 -10.786 -6.286 523 1HG2 THR 65 1HG2 THR 65 -18.774 -11.398 -2.980 524 2HG2 THR 65 3HG2 THR 65 -17.795 -10.711 -4.275 525 3HG2 THR 65 2HG2 THR 65 -19.485 -10.242 -4.106 526 HA PRO 66 HA PRO 66 -19.490 -17.111 -6.197 527 1HB PRO 66 HB2 PRO 66 -21.883 -17.705 -5.123 528 2HB PRO 66 HB3 PRO 66 -20.378 -17.931 -4.221 529 1HG PRO 66 HG2 PRO 66 -22.321 -15.642 -4.120 530 2HG PRO 66 HG3 PRO 66 -21.582 -16.531 -2.772 531 1HD PRO 66 HD2 PRO 66 -20.641 -14.142 -3.618 532 2HD PRO 66 HD3 PRO 66 -19.571 -15.407 -2.978 533 H MET 67 H MET 67 -20.615 -14.181 -6.694 534 HA MET 67 HA MET 67 -22.248 -15.001 -8.964 535 1HB MET 67 HB2 MET 67 -23.168 -12.988 -6.908 536 2HB MET 67 HB3 MET 67 -23.952 -13.264 -8.457 537 1HG MET 67 HG2 MET 67 -24.426 -15.570 -7.804 538 2HG MET 67 HG3 MET 67 -23.650 -15.285 -6.247 539 1HE MET 67 HE3 MET 67 -24.594 -13.624 -4.405 540 2HE MET 67 HE2 MET 67 -24.596 -12.316 -5.588 541 3HE MET 67 HE1 MET 67 -26.040 -12.637 -4.628 542 H VAL 68 H VAL 68 -22.322 -11.730 -7.886 543 HA VAL 68 HA VAL 68 -20.094 -10.960 -9.616 544 HB VAL 68 HB VAL 68 -22.853 -9.759 -9.921 545 1HG1 VAL 68 3HG1 VAL 68 -20.266 -9.225 -11.377 546 2HG1 VAL 68 2HG1 VAL 68 -21.838 -8.564 -11.827 547 3HG1 VAL 68 1HG1 VAL 68 -21.107 -8.126 -10.283 548 1HG2 VAL 68 3HG2 VAL 68 -21.315 -11.568 -11.781 549 2HG2 VAL 68 2HG2 VAL 68 -22.777 -11.986 -10.888 550 3HG2 VAL 68 1HG2 VAL 68 -22.839 -10.765 -12.159 551 H GLY 69 H GLY 69 -19.097 -9.054 -9.030 552 1HA GLY 69 HA3 GLY 69 -19.301 -8.213 -6.369 553 2HA GLY 69 HA2 GLY 69 -20.219 -7.084 -7.353 554 H VAL 70 H VAL 70 -18.273 -5.924 -6.076 555 HA VAL 70 HA VAL 70 -15.992 -5.783 -7.930 556 HB VAL 70 HB VAL 70 -17.243 -3.382 -6.591 557 1HG1 VAL 70 1HG1 VAL 70 -14.866 -3.146 -7.083 558 2HG1 VAL 70 3HG1 VAL 70 -15.157 -3.608 -8.760 559 3HG1 VAL 70 2HG1 VAL 70 -15.830 -2.105 -8.129 560 1HG2 VAL 70 1HG2 VAL 70 -17.534 -4.333 -9.439 561 2HG2 VAL 70 3HG2 VAL 70 -18.803 -4.287 -8.215 562 3HG2 VAL 70 2HG2 VAL 70 -18.101 -2.784 -8.813 563 H GLY 71 H GLY 71 -15.119 -7.260 -6.242 564 1HA GLY 71 HA3 GLY 71 -14.614 -7.159 -3.714 565 2HA GLY 71 HA2 GLY 71 -13.813 -5.660 -4.152 566 H GLY 72 H GLY 72 -11.790 -5.720 -4.962 567 1HA GLY 72 HA3 GLY 72 -10.008 -6.747 -6.179 568 2HA GLY 72 HA2 GLY 72 -10.684 -8.315 -5.780 569 H ILE 73 H ILE 73 -8.135 -6.412 -5.203 570 HA ILE 73 HA ILE 73 -7.901 -7.011 -2.367 571 HB ILE 73 HB ILE 73 -5.616 -7.956 -2.721 572 1HG1 ILE 73 2HG1 ILE 73 -6.450 -8.637 -5.510 573 2HG1 ILE 73 3HG1 ILE 73 -5.590 -7.134 -5.172 574 1HG2 ILE 73 1HG2 ILE 73 -7.592 -9.324 -2.163 575 2HG2 ILE 73 3HG2 ILE 73 -7.804 -9.644 -3.885 576 3HG2 ILE 73 2HG2 ILE 73 -6.344 -10.195 -3.056 577 1HD1 ILE 73 3HD1 ILE 73 -3.767 -8.415 -4.163 578 2HD1 ILE 73 2HD1 ILE 73 -4.623 -9.912 -4.536 579 3HD1 ILE 73 1HD1 ILE 73 -4.047 -8.876 -5.845 580 H TYR 74 H TYR 74 -5.280 -6.480 -1.978 581 HA TYR 74 HA TYR 74 -4.895 -3.761 -3.033 582 1HB TYR 74 HB2 TYR 74 -4.024 -4.512 -0.263 583 2HB TYR 74 HB3 TYR 74 -4.430 -2.925 -0.910 584 HD1 TYR 74 HD1 TYR 74 -6.675 -2.101 -0.833 585 HD2 TYR 74 HD2 TYR 74 -5.846 -6.104 0.336 586 HE1 TYR 74 HE1 TYR 74 -8.931 -2.294 0.133 587 HE2 TYR 74 HE2 TYR 74 -8.093 -6.299 1.293 588 HH TYR 74 HH TYR 74 -10.550 -4.044 0.698 589 H VAL 75 H VAL 75 -3.228 -4.080 -4.435 590 HA VAL 75 HA VAL 75 -1.046 -5.871 -3.735 591 HB VAL 75 HB VAL 75 -1.563 -4.260 -6.239 592 1HG1 VAL 75 2HG1 VAL 75 0.622 -6.254 -5.647 593 2HG1 VAL 75 1HG1 VAL 75 0.271 -5.571 -7.234 594 3HG1 VAL 75 3HG1 VAL 75 0.826 -4.525 -5.927 595 1HG2 VAL 75 2HG2 VAL 75 -3.117 -6.113 -5.898 596 2HG2 VAL 75 1HG2 VAL 75 -2.035 -6.429 -7.255 597 3HG2 VAL 75 3HG2 VAL 75 -1.758 -7.221 -5.704 598 H VAL 76 H VAL 76 0.374 -5.038 -2.347 599 HA VAL 76 HA VAL 76 1.249 -2.254 -2.737 600 HB VAL 76 HB VAL 76 1.625 -3.981 -0.289 601 1HG1 VAL 76 3HG1 VAL 76 2.107 -1.048 -0.792 602 2HG1 VAL 76 2HG1 VAL 76 2.169 -1.817 0.794 603 3HG1 VAL 76 1HG1 VAL 76 3.322 -2.282 -0.458 604 1HG2 VAL 76 1HG2 VAL 76 -0.742 -3.508 -0.682 605 2HG2 VAL 76 3HG2 VAL 76 -0.142 -2.642 0.733 606 3HG2 VAL 76 2HG2 VAL 76 -0.383 -1.785 -0.789 607 H LEU 77 H LEU 77 3.168 -1.912 -3.621 608 HA LEU 77 HA LEU 77 5.227 -4.011 -3.424 609 1HB LEU 77 HB2 LEU 77 4.821 -1.861 -5.502 610 2HB LEU 77 HB3 LEU 77 6.239 -2.889 -5.428 611 HG LEU 77 HG LEU 77 3.393 -3.804 -5.907 612 1HD1 LEU 77 2HD1 LEU 77 4.354 -2.632 -7.814 613 2HD1 LEU 77 1HD1 LEU 77 5.773 -3.677 -7.753 614 3HD1 LEU 77 3HD1 LEU 77 4.194 -4.357 -8.147 615 1HD2 LEU 77 3HD2 LEU 77 5.085 -5.328 -4.635 616 2HD2 LEU 77 2HD2 LEU 77 4.119 -5.987 -5.958 617 3HD2 LEU 77 1HD2 LEU 77 5.800 -5.535 -6.234 618 H VAL 78 H VAL 78 6.456 -3.475 -1.704 619 HA VAL 78 HA VAL 78 7.119 -0.652 -1.296 620 HB VAL 78 HB VAL 78 8.247 -2.442 0.678 621 1HG1 VAL 78 3HG1 VAL 78 7.943 -0.036 0.995 622 2HG1 VAL 78 2HG1 VAL 78 6.193 -0.224 0.838 623 3HG1 VAL 78 1HG1 VAL 78 7.041 -0.943 2.209 624 1HG2 VAL 78 1HG2 VAL 78 6.351 -3.868 0.038 625 2HG2 VAL 78 3HG2 VAL 78 6.184 -3.233 1.674 626 3HG2 VAL 78 2HG2 VAL 78 5.252 -2.526 0.354 627 H LYS 79 H LYS 79 8.801 -0.003 -2.442 628 HA LYS 79 HA LYS 79 11.170 -1.745 -2.609 629 1HB LYS 79 HB2 LYS 79 10.003 0.295 -4.461 630 2HB LYS 79 HB3 LYS 79 11.733 -0.014 -4.507 631 1HG LYS 79 HG2 LYS 79 11.269 -2.397 -4.910 632 2HG LYS 79 HG3 LYS 79 9.534 -2.033 -4.952 633 1HD LYS 79 HD2 LYS 79 11.602 -0.821 -6.791 634 2HD LYS 79 HD3 LYS 79 10.565 -2.187 -7.204 635 1HE LYS 79 HE2 LYS 79 8.586 -0.786 -6.868 636 2HE LYS 79 HE3 LYS 79 9.623 0.579 -6.459 637 1HZ LYS 79 HZ3 LYS 79 10.566 0.483 -8.681 638 2HZ LYS 79 HZ2 LYS 79 9.570 -0.826 -9.075 639 3HZ LYS 79 HZ1 LYS 79 8.887 0.688 -8.753 640 HA PRO 80 HA PRO 80 12.549 1.347 0.490 641 1HB PRO 80 HB2 PRO 80 15.033 -0.010 0.602 642 2HB PRO 80 HB3 PRO 80 13.712 -0.096 1.768 643 1HG PRO 80 HG2 PRO 80 14.442 -1.967 -0.398 644 2HG PRO 80 HG3 PRO 80 13.590 -2.281 1.125 645 1HD PRO 80 HD2 PRO 80 12.328 -2.261 -1.264 646 2HD PRO 80 HD3 PRO 80 11.536 -1.742 0.238 647 H ARG 81 H ARG 81 12.923 3.184 -0.573 648 HA ARG 81 HA ARG 81 14.674 3.405 -2.810 649 1HB ARG 81 HB2 ARG 81 12.836 5.117 -1.354 650 2HB ARG 81 HB3 ARG 81 14.305 5.971 -1.800 651 1HG ARG 81 HG2 ARG 81 13.966 5.495 -4.111 652 2HG ARG 81 HG3 ARG 81 12.620 4.413 -3.742 653 1HD ARG 81 HD2 ARG 81 11.287 6.233 -2.949 654 2HD ARG 81 HD3 ARG 81 12.649 7.350 -3.071 655 HE ARG 81 HE ARG 81 11.930 6.107 -5.564 656 1HH1 ARG 81 1HH1 ARG 81 11.330 8.777 -3.407 657 2HH1 ARG 81 2HH1 ARG 81 10.700 9.806 -4.650 658 1HH2 ARG 81 1HH2 ARG 81 11.102 7.455 -7.206 659 2HH2 ARG 81 2HH2 ARG 81 10.569 9.055 -6.808 660 H LYS 82 H LYS 82 14.896 4.290 0.610 661 HA LYS 82 HA LYS 82 17.740 4.935 0.221 662 1HB LYS 82 HB2 LYS 82 15.975 5.693 2.552 663 2HB LYS 82 HB3 LYS 82 17.604 6.265 2.235 664 1HG LYS 82 HG2 LYS 82 16.779 7.353 0.174 665 2HG LYS 82 HG3 LYS 82 15.143 6.851 0.607 666 1HD LYS 82 HD2 LYS 82 15.296 8.131 2.684 667 2HD LYS 82 HD3 LYS 82 16.932 8.633 2.254 668 1HE LYS 82 HE2 LYS 82 16.045 9.730 0.239 669 2HE LYS 82 HE3 LYS 82 14.412 9.267 0.721 670 1HZ LYS 82 HZ2 LYS 82 16.235 11.030 2.269 671 2HZ LYS 82 HZ1 LYS 82 14.915 11.546 1.346 672 3HZ LYS 82 HZ3 LYS 82 14.664 10.593 2.722 673 H ARG 83 H ARG 83 19.011 4.553 2.372 674 HA ARG 83 HA ARG 83 18.448 1.792 3.220 675 1HB ARG 83 HB2 ARG 83 21.095 3.241 3.274 676 2HB ARG 83 HB3 ARG 83 20.822 1.537 3.601 677 1HG ARG 83 HG2 ARG 83 20.288 1.100 1.330 678 2HG ARG 83 HG3 ARG 83 20.234 2.822 0.948 679 1HD ARG 83 HD2 ARG 83 22.623 3.003 1.437 680 2HD ARG 83 HD3 ARG 83 22.678 1.280 1.810 681 HE ARG 83 HE ARG 83 21.654 1.495 -0.748 682 1HH1 ARG 83 1HH1 ARG 83 24.606 2.324 0.907 683 2HH1 ARG 83 2HH1 ARG 83 25.599 2.138 -0.500 684 1HH2 ARG 83 1HH2 ARG 83 22.954 1.248 -2.606 685 2HH2 ARG 83 2HH2 ARG 83 24.659 1.527 -2.496 686 H GLY 84 H GLY 84 18.618 1.228 5.397 687 1HA GLY 84 HA3 GLY 84 18.531 3.528 7.245 688 2HA GLY 84 HA2 GLY 84 19.473 2.095 7.629 689 H HIS 85 H HIS 85 16.755 3.594 8.441 690 HA HIS 85 HA HIS 85 15.359 1.065 9.005 691 1HB HIS 85 HB2 HIS 85 16.168 2.244 11.002 692 2HB HIS 85 HB3 HIS 85 15.248 3.667 10.532 693 HD1 HIS 85 HD1 HIS 85 12.847 3.768 11.252 694 HD2 HIS 85 HD2 HIS 85 14.510 -0.006 11.756 695 HE1 HIS 85 HE1 HIS 85 11.132 2.443 12.527 696 HE2 HIS 85 HE2 HIS 85 12.124 0.137 12.742 697 H HIS 86 H HIS 86 13.819 0.804 7.562 698 HA HIS 86 HA HIS 86 12.041 3.075 6.958 699 1HB HIS 86 HB2 HIS 86 12.818 0.728 5.214 700 2HB HIS 86 HB3 HIS 86 11.533 1.867 4.814 701 HD1 HIS 86 HD1 HIS 86 14.281 3.620 6.384 702 HD2 HIS 86 HD2 HIS 86 13.363 2.330 2.545 703 HE1 HIS 86 HE1 HIS 86 15.781 4.936 4.857 704 HE2 HIS 86 HE2 HIS 86 15.129 4.216 2.533 705 H THR 87 H THR 87 9.775 2.388 6.381 706 HA THR 87 HA THR 87 8.884 -0.153 7.405 707 HB THR 87 HB THR 87 8.072 2.356 8.879 708 HG1 THR 87 HG1 THR 87 10.106 1.690 9.568 709 1HG2 THR 87 2HG2 THR 87 6.277 0.680 8.640 710 2HG2 THR 87 1HG2 THR 87 7.335 -0.528 9.371 711 3HG2 THR 87 3HG2 THR 87 6.806 0.867 10.313 712 H LEU 88 H LEU 88 6.803 -0.679 6.800 713 HA LEU 88 HA LEU 88 5.474 1.247 5.014 714 1HB LEU 88 HB2 LEU 88 6.179 -0.641 3.756 715 2HB LEU 88 HB3 LEU 88 5.597 -1.758 4.970 716 HG LEU 88 HG LEU 88 3.252 -0.805 4.406 717 1HD1 LEU 88 3HD1 LEU 88 4.056 1.086 3.078 718 2HD1 LEU 88 2HD1 LEU 88 4.757 -0.036 1.913 719 3HD1 LEU 88 1HD1 LEU 88 3.010 0.023 2.139 720 1HD2 LEU 88 1HD2 LEU 88 4.863 -2.629 2.655 721 2HD2 LEU 88 3HD2 LEU 88 3.695 -3.050 3.906 722 3HD2 LEU 88 2HD2 LEU 88 3.145 -2.347 2.385 723 H GLU 89 H GLU 89 4.184 2.222 6.556 724 HA GLU 89 HA GLU 89 2.587 0.718 8.377 725 1HB GLU 89 HB2 GLU 89 2.583 3.617 7.550 726 2HB GLU 89 HB3 GLU 89 1.501 2.962 8.770 727 1HG GLU 89 HG2 GLU 89 3.350 2.325 10.141 728 2HG GLU 89 HG3 GLU 89 4.498 2.829 8.904 729 H LEU 90 H LEU 90 1.079 -0.604 7.516 730 HA LEU 90 HA LEU 90 -0.808 0.590 5.593 731 1HB LEU 90 HB2 LEU 90 0.000 -2.282 6.005 732 2HB LEU 90 HB3 LEU 90 -1.427 -1.830 5.100 733 HG LEU 90 HG LEU 90 1.404 -1.043 4.402 734 1HD1 LEU 90 2HD1 LEU 90 -0.462 -3.087 3.211 735 2HD1 LEU 90 1HD1 LEU 90 1.046 -2.554 2.469 736 3HD1 LEU 90 3HD1 LEU 90 1.075 -3.392 4.019 737 1HD2 LEU 90 3HD2 LEU 90 -0.225 0.642 3.720 738 2HD2 LEU 90 2HD2 LEU 90 0.431 -0.211 2.323 739 3HD2 LEU 90 1HD2 LEU 90 -1.184 -0.601 2.918 740 H VAL 91 H VAL 91 -2.893 0.762 6.153 741 HA VAL 91 HA VAL 91 -3.831 -0.637 8.561 742 HB VAL 91 HB VAL 91 -3.110 1.588 9.268 743 1HG1 VAL 91 3HG1 VAL 91 -5.000 2.562 7.127 744 2HG1 VAL 91 2HG1 VAL 91 -4.306 3.590 8.385 745 3HG1 VAL 91 1HG1 VAL 91 -3.251 2.801 7.211 746 1HG2 VAL 91 3HG2 VAL 91 -6.109 1.282 9.189 747 2HG2 VAL 91 2HG2 VAL 91 -5.013 0.653 10.419 748 3HG2 VAL 91 1HG2 VAL 91 -5.231 2.393 10.240 749 H TYR 92 H TYR 92 -6.132 -0.803 8.731 750 HA TYR 92 HA TYR 92 -7.497 -0.760 6.152 751 1HB TYR 92 HB2 TYR 92 -7.486 -2.748 7.810 752 2HB TYR 92 HB3 TYR 92 -8.638 -1.798 8.739 753 HD1 TYR 92 HD1 TYR 92 -10.595 -3.067 8.564 754 HD2 TYR 92 HD2 TYR 92 -8.418 -2.101 5.038 755 HE1 TYR 92 HE1 TYR 92 -12.429 -3.963 7.193 756 HE2 TYR 92 HE2 TYR 92 -10.248 -2.992 3.658 757 HH TYR 92 HH TYR 92 -13.314 -3.716 4.912 758 H THR 93 H THR 93 -7.561 1.610 6.163 759 HA THR 93 HA THR 93 -9.462 2.792 8.073 760 HB THR 93 HB THR 93 -7.332 3.919 8.023 761 HG1 THR 93 HG1 THR 93 -8.179 6.019 7.097 762 1HG2 THR 93 1HG2 THR 93 -6.608 3.214 5.790 763 2HG2 THR 93 3HG2 THR 93 -7.823 4.263 5.060 764 3HG2 THR 93 2HG2 THR 93 -6.483 4.964 5.970 765 H ARG 94 H ARG 94 -11.052 4.286 7.358 766 HA ARG 94 HA ARG 94 -12.248 3.549 4.824 767 1HB ARG 94 HB2 ARG 94 -13.162 5.246 7.134 768 2HB ARG 94 HB3 ARG 94 -14.067 5.151 5.631 769 1HG ARG 94 HG2 ARG 94 -14.122 2.651 5.964 770 2HG ARG 94 HG3 ARG 94 -13.487 2.947 7.583 771 1HD ARG 94 HD2 ARG 94 -15.903 2.727 7.646 772 2HD ARG 94 HD3 ARG 94 -15.417 4.365 8.080 773 HE ARG 94 HE ARG 94 -15.900 4.640 5.473 774 1HH1 ARG 94 1HH1 ARG 94 -17.743 3.071 7.979 775 2HH1 ARG 94 2HH1 ARG 94 -19.272 3.381 7.226 776 1HH2 ARG 94 1HH2 ARG 94 -17.907 5.052 4.475 777 2HH2 ARG 94 2HH2 ARG 94 -19.365 4.506 5.234 778 HA PRO 95 HA PRO 95 -10.062 7.055 2.903 779 1HB PRO 95 HB2 PRO 95 -11.278 6.541 0.447 780 2HB PRO 95 HB3 PRO 95 -9.715 5.922 0.975 781 1HG PRO 95 HG2 PRO 95 -12.370 4.586 0.971 782 2HG PRO 95 HG3 PRO 95 -10.764 3.898 0.683 783 1HD PRO 95 HD2 PRO 95 -12.072 3.530 2.995 784 2HD PRO 95 HD3 PRO 95 -10.312 3.705 2.925 785 H PHE 96 H PHE 96 -13.466 6.239 2.777 786 HA PHE 96 HA PHE 96 -14.359 8.720 1.745 787 1HB PHE 96 HB2 PHE 96 -15.763 6.489 3.210 788 2HB PHE 96 HB3 PHE 96 -16.583 7.869 2.506 789 HD1 PHE 96 HD1 PHE 96 -17.052 7.981 0.193 790 HD2 PHE 96 HD2 PHE 96 -14.553 4.900 1.731 791 HE1 PHE 96 HE1 PHE 96 -17.163 6.815 -1.971 792 HE2 PHE 96 HE2 PHE 96 -14.659 3.728 -0.429 793 HZ PHE 96 HZ PHE 96 -15.966 4.686 -2.285 794 H GLU 97 H GLU 97 -13.571 7.574 4.937 795 HA GLU 97 HA GLU 97 -14.539 10.132 6.033 796 1HB GLU 97 HB2 GLU 97 -14.497 7.443 7.411 797 2HB GLU 97 HB3 GLU 97 -14.913 8.964 8.189 798 1HG GLU 97 HG2 GLU 97 -16.791 9.211 6.598 799 2HG GLU 97 HG3 GLU 97 -16.403 7.619 5.947 800 H GLY 98 H GLY 98 -12.717 7.671 7.759 801 1HA GLY 98 HA3 GLY 98 -10.913 9.403 8.932 802 2HA GLY 98 HA2 GLY 98 -10.152 8.886 7.436 803 H ILE 99 H ILE 99 -8.968 8.357 9.798 804 HA ILE 99 HA ILE 99 -9.154 5.433 9.886 805 HB ILE 99 HB ILE 99 -6.897 7.016 11.045 806 1HG1 ILE 99 2HG1 ILE 99 -6.932 6.109 8.176 807 2HG1 ILE 99 3HG1 ILE 99 -7.457 7.727 8.632 808 1HG2 ILE 99 3HG2 ILE 99 -7.243 4.250 9.907 809 2HG2 ILE 99 2HG2 ILE 99 -5.659 4.947 10.259 810 3HG2 ILE 99 1HG2 ILE 99 -6.826 4.705 11.560 811 1HD1 ILE 99 2HD1 ILE 99 -4.736 6.537 9.129 812 2HD1 ILE 99 1HD1 ILE 99 -5.149 7.719 7.887 813 3HD1 ILE 99 3HD1 ILE 99 -5.254 8.158 9.592 814 H LYS 100 H LYS 100 -9.281 4.320 11.822 815 HA LYS 100 HA LYS 100 -9.652 5.900 14.270 816 1HB LYS 100 HB2 LYS 100 -11.423 3.549 13.892 817 2HB LYS 100 HB3 LYS 100 -11.735 5.070 14.711 818 1HG LYS 100 HG2 LYS 100 -11.947 6.178 12.518 819 2HG LYS 100 HG3 LYS 100 -11.740 4.609 11.739 820 1HD LYS 100 HD2 LYS 100 -13.877 4.078 12.071 821 2HD LYS 100 HD3 LYS 100 -13.777 4.498 13.783 822 1HE LYS 100 HE2 LYS 100 -14.094 6.858 13.214 823 2HE LYS 100 HE3 LYS 100 -14.219 6.428 11.507 824 1HZ LYS 100 HZ1 LYS 100 -16.182 5.115 12.021 825 2HZ LYS 100 HZ3 LYS 100 -16.064 5.531 13.656 826 3HZ LYS 100 HZ2 LYS 100 -16.398 6.722 12.503 827 HA PRO 101 HA PRO 101 -7.266 2.833 16.354 828 1HB PRO 101 HB2 PRO 101 -9.278 2.423 18.451 829 2HB PRO 101 HB3 PRO 101 -7.670 3.134 18.570 830 1HG PRO 101 HG2 PRO 101 -9.900 4.615 18.792 831 2HG PRO 101 HG3 PRO 101 -8.426 5.238 18.038 832 1HD PRO 101 HD2 PRO 101 -10.913 4.194 16.743 833 2HD PRO 101 HD3 PRO 101 -9.938 5.617 16.317 834 H GLU 102 H GLU 102 -10.693 1.956 16.217 835 HA GLU 102 HA GLU 102 -10.321 -0.819 16.607 836 1HB GLU 102 HB2 GLU 102 -12.632 -1.024 15.751 837 2HB GLU 102 HB3 GLU 102 -12.469 0.191 17.014 838 1HG GLU 102 HG2 GLU 102 -12.413 1.940 15.341 839 2HG GLU 102 HG3 GLU 102 -12.539 0.734 14.064 840 H ASN 103 H ASN 103 -9.299 1.032 14.111 841 HA ASN 103 HA ASN 103 -9.993 -0.626 11.885 842 1HB ASN 103 HB2 ASN 103 -8.015 1.611 12.236 843 2HB ASN 103 HB3 ASN 103 -8.270 0.776 10.703 844 1HD2 ASN 103 1HD2 ASN 103 -9.407 2.044 9.451 845 2HD2 ASN 103 2HD2 ASN 103 -10.828 2.907 9.904 846 H GLU 104 H GLU 104 -8.792 -2.169 10.850 847 HA GLU 104 HA GLU 104 -7.018 -3.748 12.302 848 1HB GLU 104 HB2 GLU 104 -8.406 -4.095 10.033 849 2HB GLU 104 HB3 GLU 104 -6.822 -3.785 9.340 850 1HG GLU 104 HG2 GLU 104 -5.890 -5.674 10.292 851 2HG GLU 104 HG3 GLU 104 -7.155 -5.807 11.512 852 H ARG 105 H ARG 105 -4.753 -4.262 11.727 853 HA ARG 105 HA ARG 105 -3.265 -1.899 10.789 854 1HB ARG 105 HB2 ARG 105 -3.227 -2.023 13.267 855 2HB ARG 105 HB3 ARG 105 -2.523 -3.629 13.159 856 1HG ARG 105 HG2 ARG 105 -0.619 -2.408 13.482 857 2HG ARG 105 HG3 ARG 105 -0.720 -2.353 11.716 858 1HD ARG 105 HD2 ARG 105 -1.612 -0.172 11.716 859 2HD ARG 105 HD3 ARG 105 -1.946 -0.232 13.449 860 HE ARG 105 HE ARG 105 0.783 -0.575 13.156 861 1HH1 ARG 105 1HH1 ARG 105 -1.590 1.879 12.446 862 2HH1 ARG 105 2HH1 ARG 105 -0.474 3.192 12.627 863 1HH2 ARG 105 1HH2 ARG 105 2.256 1.150 13.396 864 2HH2 ARG 105 2HH2 ARG 105 1.711 2.778 13.167 865 H TYR 106 H TYR 106 -1.096 -2.354 10.052 866 HA TYR 106 HA TYR 106 -0.007 -4.922 9.766 867 1HB TYR 106 HB2 TYR 106 -1.897 -5.219 8.184 868 2HB TYR 106 HB3 TYR 106 -1.283 -3.866 7.233 869 HD1 TYR 106 HD1 TYR 106 0.474 -4.180 5.668 870 HD2 TYR 106 HD2 TYR 106 -0.527 -7.304 8.375 871 HE1 TYR 106 HE1 TYR 106 1.905 -5.726 4.401 872 HE2 TYR 106 HE2 TYR 106 0.902 -8.859 7.117 873 HH TYR 106 HH TYR 106 3.124 -7.827 4.771 874 H THR 107 H THR 107 1.499 -3.326 10.672 875 HA THR 107 HA THR 107 2.694 -1.481 8.764 876 HB THR 107 HB THR 107 3.573 -1.971 11.609 877 HG1 THR 107 HG1 THR 107 2.196 0.010 11.916 878 1HG2 THR 107 3HG2 THR 107 3.831 0.410 9.772 879 2HG2 THR 107 2HG2 THR 107 4.398 0.329 11.441 880 3HG2 THR 107 1HG2 THR 107 5.123 -0.706 10.211 881 H LEU 108 H LEU 108 3.828 -2.685 7.299 882 HA LEU 108 HA LEU 108 5.520 -4.860 8.079 883 1HB LEU 108 HB2 LEU 108 4.501 -4.927 5.914 884 2HB LEU 108 HB3 LEU 108 5.183 -3.377 5.481 885 HG LEU 108 HG LEU 108 7.414 -4.326 5.397 886 1HD1 LEU 108 2HD1 LEU 108 7.200 -5.947 7.202 887 2HD1 LEU 108 1HD1 LEU 108 6.112 -6.920 6.211 888 3HD1 LEU 108 3HD1 LEU 108 7.796 -6.715 5.731 889 1HD2 LEU 108 3HD2 LEU 108 6.017 -4.471 3.395 890 2HD2 LEU 108 2HD2 LEU 108 7.144 -5.823 3.506 891 3HD2 LEU 108 1HD2 LEU 108 5.444 -6.055 3.915 892 H HIS 109 H HIS 109 7.026 -4.087 9.526 893 HA HIS 109 HA HIS 109 8.672 -1.815 8.921 894 1HB HIS 109 HB2 HIS 109 8.540 -3.813 11.117 895 2HB HIS 109 HB3 HIS 109 9.999 -2.850 10.928 896 HD1 HIS 109 HD1 HIS 109 9.929 -0.473 11.761 897 HD2 HIS 109 HD2 HIS 109 6.191 -2.288 11.725 898 HE1 HIS 109 HE1 HIS 109 8.399 1.115 12.972 899 HE2 HIS 109 HE2 HIS 109 6.124 0.036 12.859 900 H LEU 110 H LEU 110 10.688 -1.762 8.135 901 HA LEU 110 HA LEU 110 12.087 -4.238 7.505 902 1HB LEU 110 HB2 LEU 110 11.304 -2.160 5.462 903 2HB LEU 110 HB3 LEU 110 12.487 -3.415 5.172 904 HG LEU 110 HG LEU 110 9.562 -3.870 5.776 905 1HD1 LEU 110 3HD1 LEU 110 11.145 -3.981 3.215 906 2HD1 LEU 110 2HD1 LEU 110 9.530 -4.668 3.404 907 3HD1 LEU 110 1HD1 LEU 110 9.779 -2.932 3.595 908 1HD2 LEU 110 2HD2 LEU 110 11.071 -5.668 6.580 909 2HD2 LEU 110 1HD2 LEU 110 9.976 -6.188 5.298 910 3HD2 LEU 110 3HD2 LEU 110 11.667 -5.853 4.931 911 H ASN 111 H ASN 111 14.026 -3.930 8.398 912 HA ASN 111 HA ASN 111 15.185 -1.275 8.556 913 1HB ASN 111 HB2 ASN 111 15.342 -2.823 10.485 914 2HB ASN 111 HB3 ASN 111 16.298 -3.928 9.502 915 1HD2 ASN 111 1HD2 ASN 111 18.402 -3.346 8.914 916 2HD2 ASN 111 2HD2 ASN 111 19.273 -2.118 9.760 917 H VAL 112 H VAL 112 15.532 -0.861 6.357 918 HA VAL 112 HA VAL 112 16.793 -2.511 4.517 919 HB VAL 112 HB VAL 112 17.090 0.493 4.580 920 1HG1 VAL 112 2HG1 VAL 112 18.425 -0.676 2.898 921 2HG1 VAL 112 1HG1 VAL 112 16.971 -1.468 2.294 922 3HG1 VAL 112 3HG1 VAL 112 17.144 0.280 2.152 923 1HG2 VAL 112 1HG2 VAL 112 14.771 -1.143 3.562 924 2HG2 VAL 112 3HG2 VAL 112 14.752 -0.047 4.943 925 3HG2 VAL 112 2HG2 VAL 112 14.986 0.587 3.316 926 H LYS 113 H LYS 113 18.802 -3.256 4.348 927 HA LYS 113 HA LYS 113 20.841 -2.448 6.183 928 1HB LYS 113 HB2 LYS 113 20.973 -4.297 3.796 929 2HB LYS 113 HB3 LYS 113 22.225 -4.123 5.015 930 1HG LYS 113 HG2 LYS 113 19.422 -5.094 5.529 931 2HG LYS 113 HG3 LYS 113 20.845 -6.121 5.357 932 1HD LYS 113 HD2 LYS 113 20.730 -3.939 7.415 933 2HD LYS 113 HD3 LYS 113 20.053 -5.537 7.730 934 1HE LYS 113 HE2 LYS 113 22.276 -5.495 8.600 935 2HE LYS 113 HE3 LYS 113 22.273 -6.515 7.162 936 1HZ LYS 113 HZ3 LYS 113 23.103 -3.667 7.159 937 2HZ LYS 113 HZ2 LYS 113 24.181 -4.961 7.315 938 3HZ LYS 113 HZ1 LYS 113 23.274 -4.785 5.900 No H/Q in entry = 938 Start of MODEL 19 1 H1 GLY -2 HT3 GLY -2 -19.066 -19.115 21.278 2 H2 GLY -2 HT2 GLY -2 -17.383 -19.149 21.442 3 H3 GLY -2 HT1 GLY -2 -18.363 -19.808 22.652 4 1HA GLY -2 HA2 GLY -2 -17.504 -17.668 23.347 5 2HA GLY -2 HA3 GLY -2 -19.252 -17.635 23.180 6 H SER -1 H SER -1 -20.124 -16.766 21.146 7 HA SER -1 HA SER -1 -18.416 -14.585 20.157 8 1HB SER -1 HB2 SER -1 -20.281 -16.292 18.487 9 2HB SER -1 HB3 SER -1 -19.406 -14.874 17.908 10 HG SER -1 HG SER -1 -17.459 -16.046 18.580 11 H HIS 0 H HIS 0 -20.960 -15.214 21.970 12 HA HIS 0 HA HIS 0 -23.070 -13.682 20.910 13 1HB HIS 0 HB2 HIS 0 -23.359 -15.276 22.764 14 2HB HIS 0 HB3 HIS 0 -22.399 -14.234 23.808 15 HD1 HIS 0 HD1 HIS 0 -23.600 -12.374 24.991 16 HD2 HIS 0 HD2 HIS 0 -25.913 -14.142 22.027 17 HE1 HIS 0 HE1 HIS 0 -25.903 -11.403 25.267 18 HE2 HIS 0 HE2 HIS 0 -27.305 -12.552 23.518 19 H MET 1 H MET 1 -20.180 -12.816 22.656 20 HA MET 1 HA MET 1 -21.013 -10.168 23.336 21 1HB MET 1 HB2 MET 1 -18.242 -11.366 23.169 22 2HB MET 1 HB3 MET 1 -18.630 -9.808 23.883 23 1HG MET 1 HG2 MET 1 -19.609 -12.487 24.844 24 2HG MET 1 HG3 MET 1 -18.334 -11.518 25.583 25 1HE MET 1 HE2 MET 1 -20.842 -12.654 27.194 26 2HE MET 1 HE1 MET 1 -19.569 -11.684 27.934 27 3HE MET 1 HE3 MET 1 -21.262 -11.253 28.178 28 H ILE 2 H ILE 2 -19.806 -8.225 22.538 29 HA ILE 2 HA ILE 2 -19.661 -8.335 19.609 30 HB ILE 2 HB ILE 2 -19.895 -5.882 19.684 31 1HG1 ILE 2 2HG1 ILE 2 -20.268 -6.270 22.663 32 2HG1 ILE 2 3HG1 ILE 2 -18.840 -5.563 21.914 33 1HG2 ILE 2 3HG2 ILE 2 -21.872 -7.287 19.474 34 2HG2 ILE 2 2HG2 ILE 2 -22.011 -7.376 21.229 35 3HG2 ILE 2 1HG2 ILE 2 -22.235 -5.833 20.404 36 1HD1 ILE 2 3HD1 ILE 2 -20.202 -3.738 21.042 37 2HD1 ILE 2 2HD1 ILE 2 -21.630 -4.445 21.798 38 3HD1 ILE 2 1HD1 ILE 2 -20.305 -3.849 22.798 39 H ALA 3 H ALA 3 -17.645 -8.321 22.257 40 HA ALA 3 HA ALA 3 -15.575 -6.613 21.222 41 1HB ALA 3 HB3 ALA 3 -15.876 -6.920 23.633 42 2HB ALA 3 HB1 ALA 3 -14.258 -7.397 23.116 43 3HB ALA 3 HB2 ALA 3 -15.471 -8.629 23.464 44 HA PRO 4 HA PRO 4 -13.418 -9.331 18.501 45 1HB PRO 4 HB2 PRO 4 -10.939 -8.528 19.936 46 2HB PRO 4 HB3 PRO 4 -11.315 -8.452 18.212 47 1HG PRO 4 HG2 PRO 4 -11.301 -6.242 19.694 48 2HG PRO 4 HG3 PRO 4 -12.526 -6.482 18.434 49 1HD PRO 4 HD2 PRO 4 -12.775 -6.757 21.401 50 2HD PRO 4 HD3 PRO 4 -13.936 -6.105 20.227 51 H LEU 5 H LEU 5 -12.398 -11.350 18.427 52 HA LEU 5 HA LEU 5 -12.262 -12.726 21.019 53 1HB LEU 5 HB2 LEU 5 -12.716 -13.740 18.219 54 2HB LEU 5 HB3 LEU 5 -12.372 -14.810 19.563 55 HG LEU 5 HG LEU 5 -14.749 -14.769 19.149 56 1HD1 LEU 5 2HD1 LEU 5 -14.031 -14.973 21.467 57 2HD1 LEU 5 1HD1 LEU 5 -14.071 -13.219 21.642 58 3HD1 LEU 5 3HD1 LEU 5 -15.564 -14.110 21.350 59 1HD2 LEU 5 2HD2 LEU 5 -14.869 -12.580 18.053 60 2HD2 LEU 5 1HD2 LEU 5 -16.078 -12.750 19.326 61 3HD2 LEU 5 3HD2 LEU 5 -14.623 -11.794 19.612 62 H SER 6 H SER 6 -10.698 -13.191 17.848 63 HA SER 6 HA SER 6 -8.288 -14.130 19.130 64 1HB SER 6 HB2 SER 6 -7.467 -14.460 16.823 65 2HB SER 6 HB3 SER 6 -9.053 -15.193 17.062 66 HG SER 6 HG SER 6 -9.444 -12.704 16.266 67 H VAL 7 H VAL 7 -6.152 -13.265 18.088 68 HA VAL 7 HA VAL 7 -5.981 -10.488 18.825 69 HB VAL 7 HB VAL 7 -3.784 -12.187 17.645 70 1HG1 VAL 7 1HG1 VAL 7 -3.346 -9.781 17.734 71 2HG1 VAL 7 3HG1 VAL 7 -3.703 -9.780 19.461 72 3HG1 VAL 7 2HG1 VAL 7 -2.308 -10.669 18.849 73 1HG2 VAL 7 1HG2 VAL 7 -4.598 -11.918 20.538 74 2HG2 VAL 7 3HG2 VAL 7 -4.740 -13.369 19.544 75 3HG2 VAL 7 2HG2 VAL 7 -3.146 -12.731 19.952 76 H LYS 8 H LYS 8 -5.323 -8.766 17.506 77 HA LYS 8 HA LYS 8 -5.962 -9.128 14.674 78 1HB LYS 8 HB2 LYS 8 -5.901 -6.745 16.501 79 2HB LYS 8 HB3 LYS 8 -5.926 -6.565 14.761 80 1HG LYS 8 HG2 LYS 8 -8.164 -6.369 15.638 81 2HG LYS 8 HG3 LYS 8 -8.030 -7.844 14.678 82 1HD LYS 8 HD2 LYS 8 -9.247 -8.375 16.666 83 2HD LYS 8 HD3 LYS 8 -7.642 -9.100 16.803 84 1HE LYS 8 HE2 LYS 8 -6.929 -7.149 18.156 85 2HE LYS 8 HE3 LYS 8 -8.585 -6.545 18.096 86 1HZ LYS 8 HZ1 LYS 8 -9.308 -8.587 19.202 87 2HZ LYS 8 HZ3 LYS 8 -7.702 -9.111 19.303 88 3HZ LYS 8 HZ2 LYS 8 -8.196 -7.729 20.144 89 H ASP 9 H ASP 9 -3.390 -9.693 16.166 90 HA ASP 9 HA ASP 9 -1.289 -8.084 15.760 91 1HB ASP 9 HB2 ASP 9 -1.066 -10.380 16.596 92 2HB ASP 9 HB3 ASP 9 -1.363 -11.007 14.978 93 H ASN 10 H ASN 10 -0.192 -7.141 14.125 94 HA ASN 10 HA ASN 10 -1.323 -7.365 11.478 95 1HB ASN 10 HB2 ASN 10 0.450 -5.526 11.041 96 2HB ASN 10 HB3 ASN 10 -0.974 -5.141 11.994 97 1HD2 ASN 10 1HD2 ASN 10 -0.791 -4.890 14.226 98 2HD2 ASN 10 2HD2 ASN 10 0.729 -4.570 14.979 99 H ASP 11 H ASP 11 2.082 -6.828 12.116 100 HA ASP 11 HA ASP 11 2.770 -9.350 10.834 101 1HB ASP 11 HB2 ASP 11 2.502 -7.547 9.071 102 2HB ASP 11 HB3 ASP 11 3.899 -6.755 9.792 103 H LYS 12 H LYS 12 5.472 -7.614 10.462 104 HA LYS 12 HA LYS 12 6.427 -7.484 13.165 105 1HB LYS 12 HB2 LYS 12 6.569 -9.849 12.934 106 2HB LYS 12 HB3 LYS 12 7.197 -9.724 11.297 107 1HG LYS 12 HG2 LYS 12 8.981 -10.386 12.700 108 2HG LYS 12 HG3 LYS 12 9.249 -8.703 12.242 109 1HD LYS 12 HD2 LYS 12 8.311 -7.988 14.405 110 2HD LYS 12 HD3 LYS 12 8.108 -9.682 14.859 111 1HE LYS 12 HE2 LYS 12 10.522 -10.020 14.673 112 2HE LYS 12 HE3 LYS 12 10.726 -8.330 14.213 113 1HZ LYS 12 HZ2 LYS 12 9.850 -7.679 16.371 114 2HZ LYS 12 HZ1 LYS 12 9.662 -9.301 16.811 115 3HZ LYS 12 HZ3 LYS 12 11.210 -8.668 16.551 116 H TRP 13 H TRP 13 8.890 -7.023 13.111 117 HA TRP 13 HA TRP 13 9.586 -5.468 10.722 118 1HB TRP 13 HB2 TRP 13 10.403 -4.924 13.582 119 2HB TRP 13 HB3 TRP 13 10.686 -3.896 12.186 120 HD1 TRP 13 HD1 TRP 13 7.995 -3.554 10.867 121 HE1 TRP 13 HE1 TRP 13 5.980 -2.483 12.053 122 HE3 TRP 13 HE3 TRP 13 9.431 -4.268 15.720 123 HZ2 TRP 13 HZ2 TRP 13 5.098 -2.015 14.686 124 HZ3 TRP 13 HZ3 TRP 13 7.943 -3.481 17.515 125 HH2 TRP 13 HH2 TRP 13 5.824 -2.377 17.009 126 H VAL 14 H VAL 14 11.435 -6.142 9.670 127 HA VAL 14 HA VAL 14 13.599 -7.363 11.197 128 HB VAL 14 HB VAL 14 13.685 -9.443 10.167 129 1HG1 VAL 14 3HG1 VAL 14 11.882 -9.378 11.789 130 2HG1 VAL 14 2HG1 VAL 14 10.745 -8.899 10.529 131 3HG1 VAL 14 1HG1 VAL 14 11.498 -10.492 10.477 132 1HG2 VAL 14 2HG2 VAL 14 11.793 -8.356 8.100 133 2HG2 VAL 14 1HG2 VAL 14 13.454 -8.899 7.881 134 3HG2 VAL 14 3HG2 VAL 14 12.185 -10.068 8.241 135 H ASP 15 H ASP 15 15.511 -7.711 9.970 136 HA ASP 15 HA ASP 15 16.312 -5.578 8.445 137 1HB ASP 15 HB2 ASP 15 17.308 -8.387 8.712 138 2HB ASP 15 HB3 ASP 15 18.120 -7.247 7.635 139 H THR 16 H THR 16 17.169 -5.705 6.138 140 HA THR 16 HA THR 16 16.011 -7.450 4.252 141 HB THR 16 HB THR 16 13.982 -6.070 5.023 142 HG1 THR 16 HG1 THR 16 13.214 -6.681 3.145 143 1HG2 THR 16 1HG2 THR 16 15.093 -3.875 4.995 144 2HG2 THR 16 3HG2 THR 16 15.295 -4.010 3.247 145 3HG2 THR 16 2HG2 THR 16 13.678 -3.911 3.943 146 H HIS 17 H HIS 17 15.899 -6.071 1.979 147 HA HIS 17 HA HIS 17 18.558 -4.826 1.784 148 1HB HIS 17 HB2 HIS 17 16.966 -6.542 -0.087 149 2HB HIS 17 HB3 HIS 17 18.188 -5.452 -0.732 150 HD1 HIS 17 HD1 HIS 17 17.753 -8.735 0.817 151 HD2 HIS 17 HD2 HIS 17 20.864 -6.040 0.246 152 HE1 HIS 17 HE1 HIS 17 19.861 -10.047 1.215 153 HE2 HIS 17 HE2 HIS 17 21.726 -8.372 0.955 154 H VAL 18 H VAL 18 18.363 -3.651 -0.695 155 HA VAL 18 HA VAL 18 16.478 -1.474 -0.121 156 HB VAL 18 HB VAL 18 18.831 -0.824 -0.297 157 1HG1 VAL 18 1HG1 VAL 18 19.600 -2.544 -1.835 158 2HG1 VAL 18 3HG1 VAL 18 18.639 -1.834 -3.132 159 3HG1 VAL 18 2HG1 VAL 18 19.998 -0.940 -2.450 160 1HG2 VAL 18 3HG2 VAL 18 17.116 0.785 -0.921 161 2HG2 VAL 18 2HG2 VAL 18 18.557 0.993 -1.918 162 3HG2 VAL 18 1HG2 VAL 18 17.137 0.184 -2.579 163 H GLY 19 H GLY 19 14.958 -0.812 -1.511 164 1HA GLY 19 HA3 GLY 19 14.806 -1.248 -4.256 165 2HA GLY 19 HA2 GLY 19 13.441 -0.905 -3.213 166 H LYS 20 H LYS 20 14.273 -3.508 -1.729 167 HA LYS 20 HA LYS 20 13.811 -5.623 -3.540 168 1HB LYS 20 HB2 LYS 20 14.597 -5.470 -0.935 169 2HB LYS 20 HB3 LYS 20 12.954 -6.044 -0.752 170 1HG LYS 20 HG2 LYS 20 14.194 -7.990 -0.855 171 2HG LYS 20 HG3 LYS 20 13.593 -7.805 -2.508 172 1HD LYS 20 HD2 LYS 20 15.657 -7.048 -3.295 173 2HD LYS 20 HD3 LYS 20 16.219 -6.666 -1.671 174 1HE LYS 20 HE2 LYS 20 17.323 -8.668 -2.545 175 2HE LYS 20 HE3 LYS 20 16.330 -9.047 -1.138 176 1HZ LYS 20 HZ1 LYS 20 14.598 -9.847 -2.622 177 2HZ LYS 20 HZ3 LYS 20 15.552 -9.483 -3.972 178 3HZ LYS 20 HZ2 LYS 20 16.044 -10.684 -2.887 179 H THR 21 H THR 21 12.056 -4.772 -4.756 180 HA THR 21 HA THR 21 9.608 -3.914 -3.962 181 HB THR 21 HB THR 21 9.872 -5.900 -6.208 182 HG1 THR 21 HG1 THR 21 10.979 -4.464 -7.335 183 1HG2 THR 21 3HG2 THR 21 7.618 -5.094 -5.682 184 2HG2 THR 21 2HG2 THR 21 8.174 -3.428 -5.837 185 3HG2 THR 21 1HG2 THR 21 8.160 -4.488 -7.247 186 H THR 22 H THR 22 8.582 -4.765 -2.248 187 HA THR 22 HA THR 22 8.120 -7.657 -2.167 188 HB THR 22 HB THR 22 7.560 -5.570 -0.046 189 HG1 THR 22 HG1 THR 22 9.634 -5.784 0.306 190 1HG2 THR 22 3HG2 THR 22 7.486 -8.588 0.081 191 2HG2 THR 22 2HG2 THR 22 7.276 -7.497 1.451 192 3HG2 THR 22 1HG2 THR 22 6.091 -7.511 0.145 193 H GLU 23 H GLU 23 6.465 -8.147 -3.437 194 HA GLU 23 HA GLU 23 4.131 -6.508 -3.669 195 1HB GLU 23 HB2 GLU 23 5.031 -7.811 -5.554 196 2HB GLU 23 HB3 GLU 23 4.715 -9.297 -4.671 197 1HG GLU 23 HG2 GLU 23 2.368 -8.964 -4.784 198 2HG GLU 23 HG3 GLU 23 2.584 -7.324 -5.397 199 H ILE 24 H ILE 24 2.353 -6.626 -2.481 200 HA ILE 24 HA ILE 24 1.870 -9.064 -0.914 201 HB ILE 24 HB ILE 24 1.457 -6.254 0.073 202 1HG1 ILE 24 2HG1 ILE 24 3.539 -8.309 0.832 203 2HG1 ILE 24 3HG1 ILE 24 3.837 -6.817 -0.052 204 1HG2 ILE 24 1HG2 ILE 24 -0.170 -7.866 0.939 205 2HG2 ILE 24 3HG2 ILE 24 1.150 -8.899 1.488 206 3HG2 ILE 24 2HG2 ILE 24 0.921 -7.304 2.207 207 1HD1 ILE 24 2HD1 ILE 24 3.150 -5.527 1.906 208 2HD1 ILE 24 1HD1 ILE 24 2.885 -7.029 2.793 209 3HD1 ILE 24 3HD1 ILE 24 4.508 -6.596 2.258 210 H HIS 25 H HIS 25 0.155 -9.895 -1.917 211 HA HIS 25 HA HIS 25 -2.040 -8.221 -2.792 212 1HB HIS 25 HB2 HIS 25 -2.084 -11.221 -2.744 213 2HB HIS 25 HB3 HIS 25 -2.900 -10.126 -3.847 214 HD1 HIS 25 HD1 HIS 25 -0.117 -12.345 -3.725 215 HD2 HIS 25 HD2 HIS 25 -0.881 -8.696 -5.558 216 HE1 HIS 25 HE1 HIS 25 1.569 -12.161 -5.581 217 HE2 HIS 25 HE2 HIS 25 1.007 -10.001 -6.751 218 H LEU 26 H LEU 26 -3.043 -7.413 -1.009 219 HA LEU 26 HA LEU 26 -3.726 -9.189 1.200 220 1HB LEU 26 HB2 LEU 26 -4.225 -6.239 0.859 221 2HB LEU 26 HB3 LEU 26 -4.503 -7.156 2.324 222 HG LEU 26 HG LEU 26 -1.761 -6.950 1.100 223 1HD1 LEU 26 3HD1 LEU 26 -3.011 -5.079 3.109 224 2HD1 LEU 26 2HD1 LEU 26 -1.313 -5.096 2.634 225 3HD1 LEU 26 1HD1 LEU 26 -2.554 -4.675 1.455 226 1HD2 LEU 26 3HD2 LEU 26 -2.256 -8.688 2.826 227 2HD2 LEU 26 2HD2 LEU 26 -1.002 -7.537 3.288 228 3HD2 LEU 26 1HD2 LEU 26 -2.629 -7.383 3.955 229 H LYS 27 H LYS 27 -5.830 -9.625 1.830 230 HA LYS 27 HA LYS 27 -7.809 -9.253 -0.298 231 1HB LYS 27 HB2 LYS 27 -8.099 -11.092 2.062 232 2HB LYS 27 HB3 LYS 27 -8.955 -11.146 0.530 233 1HG LYS 27 HG2 LYS 27 -6.793 -11.692 -0.585 234 2HG LYS 27 HG3 LYS 27 -6.062 -11.813 1.018 235 1HD LYS 27 HD2 LYS 27 -6.656 -14.019 0.278 236 2HD LYS 27 HD3 LYS 27 -7.736 -13.555 1.595 237 1HE LYS 27 HE2 LYS 27 -8.964 -14.652 -0.206 238 2HE LYS 27 HE3 LYS 27 -9.469 -12.973 -0.021 239 1HZ LYS 27 HZ2 LYS 27 -7.576 -13.988 -2.071 240 2HZ LYS 27 HZ1 LYS 27 -9.191 -13.566 -2.345 241 3HZ LYS 27 HZ3 LYS 27 -8.070 -12.380 -1.896 242 H GLY 28 H GLY 28 -10.073 -8.925 0.394 243 1HA GLY 28 HA3 GLY 28 -10.279 -6.571 1.933 244 2HA GLY 28 HA2 GLY 28 -10.797 -7.938 2.905 245 H ASN 29 H ASN 29 -12.168 -5.547 1.580 246 HA ASN 29 HA ASN 29 -13.902 -6.490 -0.426 247 1HB ASN 29 HB2 ASN 29 -14.617 -7.885 1.608 248 2HB ASN 29 HB3 ASN 29 -15.254 -6.381 2.267 249 1HD2 ASN 29 1HD2 ASN 29 -17.010 -5.387 1.257 250 2HD2 ASN 29 2HD2 ASN 29 -18.035 -6.246 0.165 251 HA PRO 30 HA PRO 30 -13.629 -1.904 -0.030 252 1HB PRO 30 HB2 PRO 30 -14.832 -2.298 -2.730 253 2HB PRO 30 HB3 PRO 30 -13.536 -1.209 -2.224 254 1HG PRO 30 HG2 PRO 30 -12.984 -3.438 -3.565 255 2HG PRO 30 HG3 PRO 30 -11.941 -2.900 -2.235 256 1HD PRO 30 HD2 PRO 30 -13.953 -5.098 -2.298 257 2HD PRO 30 HD3 PRO 30 -12.403 -5.011 -1.443 258 H THR 31 H THR 31 -16.323 -3.943 -1.044 259 HA THR 31 HA THR 31 -18.365 -2.062 -1.068 260 HB THR 31 HB THR 31 -18.932 -4.790 0.001 261 HG1 THR 31 HG1 THR 31 -17.551 -4.231 -2.331 262 1HG2 THR 31 2HG2 THR 31 -20.180 -3.075 -2.143 263 2HG2 THR 31 1HG2 THR 31 -20.797 -4.628 -1.579 264 3HG2 THR 31 3HG2 THR 31 -20.760 -3.246 -0.486 265 H THR 32 H THR 32 -16.783 -3.624 1.639 266 HA THR 32 HA THR 32 -18.709 -3.187 3.623 267 HB THR 32 HB THR 32 -16.848 -3.280 5.251 268 HG1 THR 32 HG1 THR 32 -14.749 -3.339 4.550 269 1HG2 THR 32 1HG2 THR 32 -17.827 -5.349 4.300 270 2HG2 THR 32 3HG2 THR 32 -16.572 -5.340 3.061 271 3HG2 THR 32 2HG2 THR 32 -16.134 -5.539 4.757 272 H GLY 33 H GLY 33 -15.742 -1.247 3.149 273 1HA GLY 33 HA3 GLY 33 -16.927 0.953 4.610 274 2HA GLY 33 HA2 GLY 33 -16.720 1.252 2.892 275 H TYR 34 H TYR 34 -14.563 -0.607 4.991 276 HA TYR 34 HA TYR 34 -12.677 1.544 5.238 277 1HB TYR 34 HB2 TYR 34 -12.485 -1.387 5.942 278 2HB TYR 34 HB3 TYR 34 -11.215 -0.214 6.273 279 HD1 TYR 34 HD1 TYR 34 -14.672 -1.200 7.104 280 HD2 TYR 34 HD2 TYR 34 -11.366 1.284 8.138 281 HE1 TYR 34 HE1 TYR 34 -15.757 -0.651 9.240 282 HE2 TYR 34 HE2 TYR 34 -12.448 1.833 10.275 283 HH TYR 34 HH TYR 34 -14.709 1.878 11.241 284 H MET 35 H MET 35 -10.249 0.735 4.796 285 HA MET 35 HA MET 35 -9.957 -0.533 2.217 286 1HB MET 35 HB2 MET 35 -10.180 1.557 1.279 287 2HB MET 35 HB3 MET 35 -9.645 2.379 2.739 288 1HG MET 35 HG2 MET 35 -7.343 1.637 2.265 289 2HG MET 35 HG3 MET 35 -7.917 0.942 0.766 290 1HE MET 35 HE2 MET 35 -10.108 3.059 -0.090 291 2HE MET 35 HE1 MET 35 -9.214 4.202 -1.093 292 3HE MET 35 HE3 MET 35 -8.952 2.470 -1.283 293 H TRP 36 H TRP 36 -7.828 -1.186 1.819 294 HA TRP 36 HA TRP 36 -6.092 -1.131 4.186 295 1HB TRP 36 HB2 TRP 36 -6.672 -3.129 2.128 296 2HB TRP 36 HB3 TRP 36 -4.958 -2.913 2.436 297 HD1 TRP 36 HD1 TRP 36 -7.808 -4.863 3.613 298 HE1 TRP 36 HE1 TRP 36 -7.332 -5.920 5.912 299 HE3 TRP 36 HE3 TRP 36 -3.670 -2.159 4.912 300 HZ2 TRP 36 HZ2 TRP 36 -5.457 -5.644 7.996 301 HZ3 TRP 36 HZ3 TRP 36 -2.596 -2.620 7.077 302 HH2 TRP 36 HH2 TRP 36 -3.475 -4.326 8.585 303 H THR 37 H THR 37 -5.323 0.983 3.744 304 HA THR 37 HA THR 37 -3.409 1.082 1.502 305 HB THR 37 HB THR 37 -5.308 2.539 1.010 306 HG1 THR 37 HG1 THR 37 -4.045 4.542 0.877 307 1HG2 THR 37 2HG2 THR 37 -6.012 2.956 3.336 308 2HG2 THR 37 1HG2 THR 37 -4.590 3.971 3.578 309 3HG2 THR 37 3HG2 THR 37 -5.832 4.455 2.424 310 H ARG 38 H ARG 38 -1.967 3.309 2.063 311 HA ARG 38 HA ARG 38 -0.566 2.515 4.465 312 1HB ARG 38 HB2 ARG 38 0.036 4.207 2.114 313 2HB ARG 38 HB3 ARG 38 0.820 4.666 3.611 314 1HG ARG 38 HG2 ARG 38 1.886 2.581 3.805 315 2HG ARG 38 HG3 ARG 38 0.945 1.909 2.471 316 1HD ARG 38 HD2 ARG 38 3.325 2.656 1.985 317 2HD ARG 38 HD3 ARG 38 2.087 3.176 0.879 318 HE ARG 38 HE ARG 38 2.245 5.366 1.853 319 1HH1 ARG 38 1HH1 ARG 38 4.684 3.101 2.880 320 2HH1 ARG 38 2HH1 ARG 38 5.825 4.327 3.319 321 1HH2 ARG 38 1HH2 ARG 38 3.759 6.992 2.411 322 2HH2 ARG 38 2HH2 ARG 38 5.299 6.535 3.055 323 H VAL 39 H VAL 39 -0.062 3.885 6.214 324 HA VAL 39 HA VAL 39 -2.229 5.409 7.175 325 HB VAL 39 HB VAL 39 0.615 5.440 8.195 326 1HG1 VAL 39 1HG1 VAL 39 -1.998 6.089 9.555 327 2HG1 VAL 39 3HG1 VAL 39 -0.418 6.036 10.340 328 3HG1 VAL 39 2HG1 VAL 39 -0.745 7.243 9.095 329 1HG2 VAL 39 3HG2 VAL 39 -0.491 3.161 7.952 330 2HG2 VAL 39 2HG2 VAL 39 0.127 3.585 9.550 331 3HG2 VAL 39 1HG2 VAL 39 -1.604 3.692 9.214 332 H GLY 40 H GLY 40 -2.758 7.482 6.934 333 1HA GLY 40 HA3 GLY 40 -0.746 9.521 6.542 334 2HA GLY 40 HA2 GLY 40 -2.477 9.776 6.700 335 H PHE 41 H PHE 41 -2.744 7.623 4.498 336 HA PHE 41 HA PHE 41 -2.463 9.526 2.288 337 1HB PHE 41 HB2 PHE 41 -1.631 6.624 2.130 338 2HB PHE 41 HB3 PHE 41 -1.554 7.804 0.826 339 HD1 PHE 41 HD1 PHE 41 -0.109 9.899 1.258 340 HD2 PHE 41 HD2 PHE 41 0.174 6.307 3.506 341 HE1 PHE 41 HE1 PHE 41 2.139 10.559 2.011 342 HE2 PHE 41 HE2 PHE 41 2.426 6.952 4.267 343 HZ PHE 41 HZ PHE 41 3.410 9.084 3.520 344 H VAL 42 H VAL 42 -4.392 7.655 4.073 345 HA VAL 42 HA VAL 42 -6.031 6.165 2.481 346 HB VAL 42 HB VAL 42 -6.402 6.290 4.861 347 1HG1 VAL 42 3HG1 VAL 42 -5.831 8.643 5.192 348 2HG1 VAL 42 2HG1 VAL 42 -7.333 9.123 4.404 349 3HG1 VAL 42 1HG1 VAL 42 -7.381 8.249 5.935 350 1HG2 VAL 42 3HG2 VAL 42 -8.757 7.242 3.246 351 2HG2 VAL 42 2HG2 VAL 42 -8.307 5.578 3.616 352 3HG2 VAL 42 1HG2 VAL 42 -8.876 6.643 4.900 353 H GLY 43 H GLY 43 -7.270 6.532 0.758 354 1HA GLY 43 HA3 GLY 43 -8.621 9.088 0.432 355 2HA GLY 43 HA2 GLY 43 -8.869 7.646 -0.539 356 H LYS 44 H LYS 44 -5.748 9.143 0.134 357 HA LYS 44 HA LYS 44 -5.535 10.703 -2.174 358 1HB LYS 44 HB2 LYS 44 -3.361 9.346 -0.575 359 2HB LYS 44 HB3 LYS 44 -3.101 10.617 -1.756 360 1HG LYS 44 HG2 LYS 44 -4.490 12.131 -0.383 361 2HG LYS 44 HG3 LYS 44 -4.622 10.854 0.829 362 1HD LYS 44 HD2 LYS 44 -2.182 10.852 1.080 363 2HD LYS 44 HD3 LYS 44 -2.062 12.143 -0.116 364 1HE LYS 44 HE2 LYS 44 -1.924 13.033 2.148 365 2HE LYS 44 HE3 LYS 44 -3.373 13.612 1.328 366 1HZ LYS 44 HZ3 LYS 44 -4.662 11.940 2.504 367 2HZ LYS 44 HZ2 LYS 44 -3.271 11.388 3.293 368 3HZ LYS 44 HZ1 LYS 44 -3.851 12.947 3.596 369 H ASP 45 H ASP 45 -3.809 10.282 -3.885 370 HA ASP 45 HA ASP 45 -4.510 7.860 -5.263 371 1HB ASP 45 HB2 ASP 45 -2.903 10.304 -5.918 372 2HB ASP 45 HB3 ASP 45 -2.810 8.886 -6.948 373 H VAL 46 H VAL 46 -1.387 9.358 -4.457 374 HA VAL 46 HA VAL 46 -0.148 6.699 -4.483 375 HB VAL 46 HB VAL 46 0.865 8.517 -5.859 376 1HG1 VAL 46 3HG1 VAL 46 0.409 10.386 -4.358 377 2HG1 VAL 46 2HG1 VAL 46 1.546 9.722 -3.183 378 3HG1 VAL 46 1HG1 VAL 46 2.126 10.285 -4.751 379 1HG2 VAL 46 1HG2 VAL 46 2.196 6.609 -5.144 380 2HG2 VAL 46 3HG2 VAL 46 3.176 8.074 -5.169 381 3HG2 VAL 46 2HG2 VAL 46 2.590 7.432 -3.635 382 H LEU 47 H LEU 47 0.983 5.894 -2.761 383 HA LEU 47 HA LEU 47 0.413 7.163 -0.181 384 1HB LEU 47 HB2 LEU 47 1.464 4.391 -0.478 385 2HB LEU 47 HB3 LEU 47 0.466 5.063 0.792 386 HG LEU 47 HG LEU 47 -0.474 4.460 -2.013 387 1HD1 LEU 47 3HD1 LEU 47 -0.918 2.979 0.574 388 2HD1 LEU 47 2HD1 LEU 47 -1.742 2.638 -0.948 389 3HD1 LEU 47 1HD1 LEU 47 0.002 2.413 -0.820 390 1HD2 LEU 47 3HD2 LEU 47 -1.983 5.354 0.437 391 2HD2 LEU 47 2HD2 LEU 47 -1.698 6.301 -1.023 392 3HD2 LEU 47 1HD2 LEU 47 -2.712 4.859 -1.091 393 H SER 48 H SER 48 2.979 5.466 -1.915 394 HA SER 48 HA SER 48 5.093 5.771 -0.192 395 1HB SER 48 HB2 SER 48 5.187 4.488 -2.296 396 2HB SER 48 HB3 SER 48 5.186 5.996 -3.206 397 HG SER 48 HG SER 48 7.235 6.188 -2.837 398 H ASP 49 H ASP 49 7.087 7.185 -0.702 399 HA ASP 49 HA ASP 49 6.558 9.863 -1.605 400 1HB ASP 49 HB2 ASP 49 6.861 9.265 1.327 401 2HB ASP 49 HB3 ASP 49 7.338 10.825 0.662 402 H GLU 50 H GLU 50 8.829 8.980 0.928 403 HA GLU 50 HA GLU 50 11.024 9.063 -1.022 404 1HB GLU 50 HB2 GLU 50 12.324 10.433 0.509 405 2HB GLU 50 HB3 GLU 50 10.804 11.231 0.121 406 1HG GLU 50 HG2 GLU 50 9.864 10.514 2.244 407 2HG GLU 50 HG3 GLU 50 11.368 9.685 2.641 408 H ILE 51 H ILE 51 9.815 7.975 2.080 409 HA ILE 51 HA ILE 51 12.111 6.541 2.904 410 HB ILE 51 HB ILE 51 9.260 5.924 3.661 411 1HG1 ILE 51 2HG1 ILE 51 9.769 8.348 3.884 412 2HG1 ILE 51 3HG1 ILE 51 9.452 7.563 5.422 413 1HG2 ILE 51 1HG2 ILE 51 11.875 5.523 5.104 414 2HG2 ILE 51 3HG2 ILE 51 10.279 5.191 5.776 415 3HG2 ILE 51 2HG2 ILE 51 10.863 4.267 4.392 416 1HD1 ILE 51 3HD1 ILE 51 12.176 8.221 4.331 417 2HD1 ILE 51 2HD1 ILE 51 11.308 9.141 5.560 418 3HD1 ILE 51 1HD1 ILE 51 11.830 7.491 5.899 419 H LEU 52 H LEU 52 9.012 4.983 2.225 420 HA LEU 52 HA LEU 52 10.478 2.811 0.880 421 1HB LEU 52 HB2 LEU 52 7.754 2.848 2.185 422 2HB LEU 52 HB3 LEU 52 8.393 1.482 1.295 423 HG LEU 52 HG LEU 52 9.612 2.616 3.810 424 1HD1 LEU 52 1HD1 LEU 52 7.436 1.601 4.244 425 2HD1 LEU 52 3HD1 LEU 52 7.943 0.137 3.400 426 3HD1 LEU 52 2HD1 LEU 52 8.739 0.612 4.900 427 1HD2 LEU 52 1HD2 LEU 52 10.240 0.133 2.223 428 2HD2 LEU 52 3HD2 LEU 52 11.266 1.558 2.396 429 3HD2 LEU 52 2HD2 LEU 52 10.927 0.539 3.796 430 H GLU 53 H GLU 53 10.355 2.802 -1.303 431 HA GLU 53 HA GLU 53 8.472 4.323 -2.765 432 1HB GLU 53 HB2 GLU 53 10.688 2.531 -3.351 433 2HB GLU 53 HB3 GLU 53 9.361 2.315 -4.484 434 1HG GLU 53 HG2 GLU 53 10.055 5.097 -3.939 435 2HG GLU 53 HG3 GLU 53 11.333 4.156 -4.706 436 H VAL 54 H VAL 54 6.592 3.538 -1.528 437 HA VAL 54 HA VAL 54 5.691 0.848 -1.963 438 HB VAL 54 HB VAL 54 4.051 3.098 -0.836 439 1HG1 VAL 54 1HG1 VAL 54 2.869 1.035 -1.386 440 2HG1 VAL 54 3HG1 VAL 54 4.001 0.117 -0.393 441 3HG1 VAL 54 2HG1 VAL 54 2.923 1.294 0.357 442 1HG2 VAL 54 2HG2 VAL 54 6.288 1.558 0.393 443 2HG2 VAL 54 1HG2 VAL 54 5.872 3.262 0.558 444 3HG2 VAL 54 3HG2 VAL 54 4.917 2.036 1.390 445 H VAL 55 H VAL 55 5.527 0.755 -4.242 446 HA VAL 55 HA VAL 55 3.597 2.448 -5.567 447 HB VAL 55 HB VAL 55 4.949 -0.031 -6.626 448 1HG1 VAL 55 1HG1 VAL 55 2.887 0.747 -7.788 449 2HG1 VAL 55 3HG1 VAL 55 3.704 2.275 -8.113 450 3HG1 VAL 55 2HG1 VAL 55 4.332 0.778 -8.800 451 1HG2 VAL 55 3HG2 VAL 55 6.617 1.620 -5.944 452 2HG2 VAL 55 2HG2 VAL 55 6.546 1.492 -7.702 453 3HG2 VAL 55 1HG2 VAL 55 5.787 2.858 -6.886 454 H CYS 56 H CYS 56 1.765 1.991 -4.392 455 HA CYS 56 HA CYS 56 0.733 -0.747 -4.474 456 1HB CYS 56 HB2 CYS 56 0.753 0.173 -2.258 457 2HB CYS 56 HB3 CYS 56 -0.055 1.639 -2.802 458 HG CYS 56 HG CYS 56 -1.957 0.310 -1.370 459 H LYS 57 H LYS 57 -1.326 -1.211 -5.185 460 HA LYS 57 HA LYS 57 -2.796 0.877 -6.600 461 1HB LYS 57 HB2 LYS 57 -2.325 -1.810 -7.861 462 2HB LYS 57 HB3 LYS 57 -2.991 -0.367 -8.604 463 1HG LYS 57 HG2 LYS 57 -0.809 0.722 -8.453 464 2HG LYS 57 HG3 LYS 57 -0.137 -0.736 -7.719 465 1HD LYS 57 HD2 LYS 57 -0.685 -2.004 -9.742 466 2HD LYS 57 HD3 LYS 57 -1.351 -0.543 -10.475 467 1HE LYS 57 HE2 LYS 57 0.840 0.528 -10.343 468 2HE LYS 57 HE3 LYS 57 1.509 -0.923 -9.596 469 1HZ LYS 57 HZ3 LYS 57 0.349 -0.764 -12.326 470 2HZ LYS 57 HZ2 LYS 57 1.997 -0.839 -11.958 471 3HZ LYS 57 HZ1 LYS 57 0.994 -2.154 -11.609 472 H TYR 58 H TYR 58 -4.711 0.865 -5.690 473 HA TYR 58 HA TYR 58 -5.777 -1.456 -4.369 474 1HB TYR 58 HB2 TYR 58 -6.073 0.958 -3.603 475 2HB TYR 58 HB3 TYR 58 -7.216 1.144 -4.929 476 HD1 TYR 58 HD1 TYR 58 -7.211 0.952 -1.592 477 HD2 TYR 58 HD2 TYR 58 -8.814 -1.244 -4.889 478 HE1 TYR 58 HE1 TYR 58 -9.039 0.109 -0.172 479 HE2 TYR 58 HE2 TYR 58 -10.620 -2.097 -3.464 480 HH TYR 58 HH TYR 58 -11.308 -0.780 -0.408 481 H THR 59 H THR 59 -6.530 -3.064 -5.600 482 HA THR 59 HA THR 59 -7.970 -2.411 -8.075 483 HB THR 59 HB THR 59 -6.932 -5.110 -7.192 484 HG1 THR 59 HG1 THR 59 -5.616 -2.959 -8.179 485 1HG2 THR 59 2HG2 THR 59 -7.872 -4.094 -9.879 486 2HG2 THR 59 1HG2 THR 59 -7.205 -5.695 -9.562 487 3HG2 THR 59 3HG2 THR 59 -8.739 -5.219 -8.834 488 HA PRO 60 HA PRO 60 -11.572 -3.949 -5.844 489 1HB PRO 60 HB2 PRO 60 -13.243 -2.027 -6.644 490 2HB PRO 60 HB3 PRO 60 -11.977 -1.686 -5.464 491 1HG PRO 60 HG2 PRO 60 -12.174 -0.870 -8.290 492 2HG PRO 60 HG3 PRO 60 -11.244 -0.141 -6.971 493 1HD PRO 60 HD2 PRO 60 -10.357 -1.996 -9.000 494 2HD PRO 60 HD3 PRO 60 -9.400 -1.146 -7.770 495 H THR 61 H THR 61 -11.709 -5.855 -7.164 496 HA THR 61 HA THR 61 -12.666 -5.728 -9.859 497 HB THR 61 HB THR 61 -12.979 -8.295 -8.454 498 HG1 THR 61 HG1 THR 61 -10.561 -6.845 -8.420 499 1HG2 THR 61 3HG2 THR 61 -11.482 -7.414 -10.924 500 2HG2 THR 61 2HG2 THR 61 -11.676 -9.086 -10.399 501 3HG2 THR 61 1HG2 THR 61 -13.087 -8.142 -10.873 502 HA PRO 62 HA PRO 62 -17.021 -5.464 -9.077 503 1HB PRO 62 HB2 PRO 62 -17.376 -7.023 -11.558 504 2HB PRO 62 HB3 PRO 62 -17.926 -5.392 -11.168 505 1HG PRO 62 HG2 PRO 62 -15.920 -5.814 -12.891 506 2HG PRO 62 HG3 PRO 62 -15.919 -4.425 -11.789 507 1HD PRO 62 HD2 PRO 62 -14.423 -7.011 -11.578 508 2HD PRO 62 HD3 PRO 62 -13.877 -5.358 -11.223 509 H SER 63 H SER 63 -19.018 -6.986 -9.301 510 HA SER 63 HA SER 63 -18.307 -9.742 -8.610 511 1HB SER 63 HB2 SER 63 -18.621 -8.526 -6.492 512 2HB SER 63 HB3 SER 63 -20.222 -8.013 -7.029 513 HG SER 63 HG SER 63 -19.836 -10.719 -7.178 514 H SER 64 H SER 64 -20.308 -7.517 -10.142 515 HA SER 64 HA SER 64 -21.624 -9.370 -11.753 516 1HB SER 64 HB2 SER 64 -22.862 -10.009 -9.737 517 2HB SER 64 HB3 SER 64 -23.341 -8.332 -9.482 518 HG SER 64 HG SER 64 -23.934 -9.519 -11.942 519 H THR 65 H THR 65 -22.311 -6.311 -10.062 520 HA THR 65 HA THR 65 -22.799 -5.074 -12.690 521 HB THR 65 HB THR 65 -24.247 -3.439 -11.459 522 HG1 THR 65 HG1 THR 65 -24.196 -5.366 -9.369 523 1HG2 THR 65 3HG2 THR 65 -25.097 -6.333 -11.331 524 2HG2 THR 65 2HG2 THR 65 -26.180 -4.941 -11.287 525 3HG2 THR 65 1HG2 THR 65 -25.230 -5.275 -12.735 526 HA PRO 66 HA PRO 66 -19.603 -2.179 -11.703 527 1HB PRO 66 HB2 PRO 66 -20.313 -0.039 -13.150 528 2HB PRO 66 HB3 PRO 66 -19.833 -1.553 -13.931 529 1HG PRO 66 HG2 PRO 66 -22.598 -0.526 -13.341 530 2HG PRO 66 HG3 PRO 66 -21.963 -1.182 -14.865 531 1HD PRO 66 HD2 PRO 66 -23.413 -2.674 -13.137 532 2HD PRO 66 HD3 PRO 66 -22.103 -3.368 -14.117 533 H MET 67 H MET 67 -22.410 -2.085 -10.268 534 HA MET 67 HA MET 67 -22.015 0.548 -9.016 535 1HB MET 67 HB2 MET 67 -24.536 -1.105 -9.191 536 2HB MET 67 HB3 MET 67 -24.391 0.434 -8.353 537 1HG MET 67 HG2 MET 67 -23.875 1.542 -10.462 538 2HG MET 67 HG3 MET 67 -24.004 -0.001 -11.305 539 1HE MET 67 HE1 MET 67 -25.729 1.087 -13.005 540 2HE MET 67 HE3 MET 67 -27.199 1.924 -12.508 541 3HE MET 67 HE2 MET 67 -25.622 2.629 -12.156 542 H VAL 68 H VAL 68 -23.824 -2.268 -7.933 543 HA VAL 68 HA VAL 68 -22.422 -2.130 -5.368 544 HB VAL 68 HB VAL 68 -24.846 -2.078 -5.231 545 1HG1 VAL 68 3HG1 VAL 68 -24.771 -4.749 -6.630 546 2HG1 VAL 68 2HG1 VAL 68 -26.206 -3.995 -5.936 547 3HG1 VAL 68 1HG1 VAL 68 -25.384 -3.236 -7.298 548 1HG2 VAL 68 3HG2 VAL 68 -23.631 -3.174 -3.425 549 2HG2 VAL 68 2HG2 VAL 68 -25.202 -3.935 -3.679 550 3HG2 VAL 68 1HG2 VAL 68 -23.737 -4.715 -4.276 551 H GLY 69 H GLY 69 -21.214 -3.770 -4.555 552 1HA GLY 69 HA3 GLY 69 -21.192 -6.362 -5.890 553 2HA GLY 69 HA2 GLY 69 -20.382 -5.959 -4.384 554 H VAL 70 H VAL 70 -18.363 -4.867 -4.459 555 HA VAL 70 HA VAL 70 -16.885 -5.430 -6.917 556 HB VAL 70 HB VAL 70 -16.655 -2.772 -5.495 557 1HG1 VAL 70 1HG1 VAL 70 -15.385 -3.800 -8.031 558 2HG1 VAL 70 3HG1 VAL 70 -15.232 -2.161 -7.402 559 3HG1 VAL 70 2HG1 VAL 70 -14.567 -3.518 -6.495 560 1HG2 VAL 70 1HG2 VAL 70 -17.926 -3.420 -8.153 561 2HG2 VAL 70 3HG2 VAL 70 -18.769 -2.903 -6.692 562 3HG2 VAL 70 2HG2 VAL 70 -17.662 -1.799 -7.508 563 H GLY 71 H GLY 71 -16.083 -7.186 -5.631 564 1HA GLY 71 HA3 GLY 71 -14.897 -8.053 -3.753 565 2HA GLY 71 HA2 GLY 71 -14.347 -6.426 -3.389 566 H GLY 72 H GLY 72 -12.211 -6.385 -3.536 567 1HA GLY 72 HA3 GLY 72 -10.591 -6.246 -5.578 568 2HA GLY 72 HA2 GLY 72 -10.874 -7.981 -5.604 569 H ILE 73 H ILE 73 -8.472 -6.148 -4.963 570 HA ILE 73 HA ILE 73 -7.896 -6.990 -2.241 571 HB ILE 73 HB ILE 73 -5.699 -7.903 -2.879 572 1HG1 ILE 73 2HG1 ILE 73 -6.645 -8.280 -5.679 573 2HG1 ILE 73 3HG1 ILE 73 -5.879 -6.759 -5.226 574 1HG2 ILE 73 3HG2 ILE 73 -7.614 -9.355 -2.391 575 2HG2 ILE 73 2HG2 ILE 73 -7.968 -9.423 -4.119 576 3HG2 ILE 73 1HG2 ILE 73 -6.449 -10.081 -3.499 577 1HD1 ILE 73 2HD1 ILE 73 -3.926 -8.026 -4.414 578 2HD1 ILE 73 1HD1 ILE 73 -4.689 -9.511 -4.983 579 3HD1 ILE 73 3HD1 ILE 73 -4.232 -8.256 -6.137 580 H TYR 74 H TYR 74 -5.233 -6.446 -2.154 581 HA TYR 74 HA TYR 74 -4.963 -3.678 -3.090 582 1HB TYR 74 HB2 TYR 74 -4.004 -4.475 -0.358 583 2HB TYR 74 HB3 TYR 74 -4.404 -2.873 -0.971 584 HD1 TYR 74 HD1 TYR 74 -5.833 -6.049 0.269 585 HD2 TYR 74 HD2 TYR 74 -6.638 -2.019 -0.825 586 HE1 TYR 74 HE1 TYR 74 -8.058 -6.228 1.281 587 HE2 TYR 74 HE2 TYR 74 -8.871 -2.196 0.194 588 HH TYR 74 HH TYR 74 -10.500 -3.933 0.774 589 H VAL 75 H VAL 75 -3.373 -4.002 -4.577 590 HA VAL 75 HA VAL 75 -1.149 -5.778 -4.026 591 HB VAL 75 HB VAL 75 -1.766 -4.038 -6.420 592 1HG1 VAL 75 1HG1 VAL 75 0.484 -6.006 -6.011 593 2HG1 VAL 75 3HG1 VAL 75 0.065 -5.243 -7.545 594 3HG1 VAL 75 2HG1 VAL 75 0.638 -4.260 -6.197 595 1HG2 VAL 75 3HG2 VAL 75 -3.260 -5.955 -6.119 596 2HG2 VAL 75 2HG2 VAL 75 -2.234 -6.147 -7.542 597 3HG2 VAL 75 1HG2 VAL 75 -1.862 -7.029 -6.061 598 H VAL 76 H VAL 76 0.345 -5.031 -2.674 599 HA VAL 76 HA VAL 76 1.190 -2.221 -2.943 600 HB VAL 76 HB VAL 76 1.528 -4.013 -0.541 601 1HG1 VAL 76 2HG1 VAL 76 2.019 -1.069 -0.958 602 2HG1 VAL 76 1HG1 VAL 76 2.050 -1.880 0.608 603 3HG1 VAL 76 3HG1 VAL 76 3.226 -2.312 -0.632 604 1HG2 VAL 76 2HG2 VAL 76 -0.835 -3.517 -0.984 605 2HG2 VAL 76 1HG2 VAL 76 -0.261 -2.728 0.486 606 3HG2 VAL 76 3HG2 VAL 76 -0.462 -1.794 -0.996 607 H LEU 77 H LEU 77 3.100 -1.883 -3.850 608 HA LEU 77 HA LEU 77 5.172 -3.966 -3.650 609 1HB LEU 77 HB2 LEU 77 4.796 -1.736 -5.648 610 2HB LEU 77 HB3 LEU 77 6.250 -2.712 -5.560 611 HG LEU 77 HG LEU 77 3.461 -3.712 -6.189 612 1HD1 LEU 77 2HD1 LEU 77 4.446 -2.427 -8.008 613 2HD1 LEU 77 1HD1 LEU 77 5.904 -3.417 -7.931 614 3HD1 LEU 77 3HD1 LEU 77 4.370 -4.140 -8.416 615 1HD2 LEU 77 1HD2 LEU 77 5.125 -5.237 -4.911 616 2HD2 LEU 77 3HD2 LEU 77 4.287 -5.865 -6.331 617 3HD2 LEU 77 2HD2 LEU 77 5.960 -5.326 -6.462 618 H VAL 78 H VAL 78 6.272 -3.492 -1.823 619 HA VAL 78 HA VAL 78 6.945 -0.689 -1.301 620 HB VAL 78 HB VAL 78 7.891 -2.571 0.694 621 1HG1 VAL 78 3HG1 VAL 78 7.645 -0.145 1.034 622 2HG1 VAL 78 2HG1 VAL 78 5.897 -0.295 0.816 623 3HG1 VAL 78 1HG1 VAL 78 6.688 -1.065 2.194 624 1HG2 VAL 78 2HG2 VAL 78 4.958 -2.579 0.010 625 2HG2 VAL 78 1HG2 VAL 78 6.058 -3.957 0.007 626 3HG2 VAL 78 3HG2 VAL 78 5.628 -3.175 1.528 627 H LYS 79 H LYS 79 8.714 -0.017 -2.258 628 HA LYS 79 HA LYS 79 11.068 -1.781 -2.360 629 1HB LYS 79 HB2 LYS 79 10.088 0.427 -4.137 630 2HB LYS 79 HB3 LYS 79 11.799 0.026 -4.101 631 1HG LYS 79 HG2 LYS 79 11.288 -2.263 -4.754 632 2HG LYS 79 HG3 LYS 79 9.555 -1.877 -4.784 633 1HD LYS 79 HD2 LYS 79 11.626 -0.467 -6.469 634 2HD LYS 79 HD3 LYS 79 10.688 -1.855 -7.025 635 1HE LYS 79 HE2 LYS 79 9.550 0.776 -6.087 636 2HE LYS 79 HE3 LYS 79 9.706 0.265 -7.767 637 1HZ LYS 79 HZ1 LYS 79 8.219 -1.593 -7.285 638 2HZ LYS 79 HZ3 LYS 79 8.045 -1.057 -5.689 639 3HZ LYS 79 HZ2 LYS 79 7.473 -0.109 -6.968 640 HA PRO 80 HA PRO 80 12.272 1.043 1.029 641 1HB PRO 80 HB2 PRO 80 14.781 -0.231 1.177 642 2HB PRO 80 HB3 PRO 80 13.382 -0.517 2.212 643 1HG PRO 80 HG2 PRO 80 14.353 -2.059 -0.123 644 2HG PRO 80 HG3 PRO 80 13.471 -2.615 1.309 645 1HD PRO 80 HD2 PRO 80 12.283 -2.379 -1.098 646 2HD PRO 80 HD3 PRO 80 11.415 -2.067 0.419 647 H ARG 81 H ARG 81 12.685 2.999 0.201 648 HA ARG 81 HA ARG 81 14.643 3.413 -1.867 649 1HB ARG 81 HB2 ARG 81 12.521 4.951 -0.613 650 2HB ARG 81 HB3 ARG 81 13.976 5.906 -0.858 651 1HG ARG 81 HG2 ARG 81 13.969 5.362 -3.218 652 2HG ARG 81 HG3 ARG 81 12.551 4.333 -2.992 653 1HD ARG 81 HD2 ARG 81 11.212 6.210 -2.362 654 2HD ARG 81 HD3 ARG 81 12.617 7.276 -2.355 655 HE ARG 81 HE ARG 81 12.172 6.035 -4.898 656 1HH1 ARG 81 1HH1 ARG 81 11.239 8.685 -2.836 657 2HH1 ARG 81 2HH1 ARG 81 10.732 9.696 -4.147 658 1HH2 ARG 81 1HH2 ARG 81 11.507 7.359 -6.630 659 2HH2 ARG 81 2HH2 ARG 81 10.882 8.942 -6.304 660 H LYS 82 H LYS 82 14.403 3.922 1.600 661 HA LYS 82 HA LYS 82 17.156 4.962 1.626 662 1HB LYS 82 HB2 LYS 82 15.012 5.176 3.747 663 2HB LYS 82 HB3 LYS 82 16.626 5.863 3.852 664 1HG LYS 82 HG2 LYS 82 16.130 7.290 1.917 665 2HG LYS 82 HG3 LYS 82 14.496 6.624 1.864 666 1HD LYS 82 HD2 LYS 82 14.091 7.467 4.134 667 2HD LYS 82 HD3 LYS 82 15.715 8.159 4.158 668 1HE LYS 82 HE2 LYS 82 13.510 8.891 2.235 669 2HE LYS 82 HE3 LYS 82 14.027 9.847 3.623 670 1HZ LYS 82 HZ3 LYS 82 16.206 10.081 2.605 671 2HZ LYS 82 HZ2 LYS 82 15.709 9.164 1.273 672 3HZ LYS 82 HZ1 LYS 82 14.998 10.669 1.574 673 H ARG 83 H ARG 83 18.291 4.417 3.791 674 HA ARG 83 HA ARG 83 18.011 1.519 4.227 675 1HB ARG 83 HB2 ARG 83 20.455 3.242 4.660 676 2HB ARG 83 HB3 ARG 83 20.372 1.490 4.775 677 1HG ARG 83 HG2 ARG 83 20.033 1.267 2.435 678 2HG ARG 83 HG3 ARG 83 19.798 3.005 2.244 679 1HD ARG 83 HD2 ARG 83 22.023 2.316 1.503 680 2HD ARG 83 HD3 ARG 83 22.107 3.408 2.885 681 HE ARG 83 HE ARG 83 22.129 0.805 3.870 682 1HH1 ARG 83 1HH1 ARG 83 24.134 2.876 1.911 683 2HH1 ARG 83 2HH1 ARG 83 25.612 2.106 2.383 684 1HH2 ARG 83 1HH2 ARG 83 24.070 -0.214 4.496 685 2HH2 ARG 83 2HH2 ARG 83 25.576 0.350 3.851 686 H GLY 84 H GLY 84 18.151 0.685 6.327 687 1HA GLY 84 HA3 GLY 84 17.824 2.695 8.471 688 2HA GLY 84 HA2 GLY 84 18.662 1.170 8.708 689 H HIS 85 H HIS 85 16.599 1.921 10.372 690 HA HIS 85 HA HIS 85 14.864 -0.324 10.144 691 1HB HIS 85 HB2 HIS 85 14.686 2.069 11.989 692 2HB HIS 85 HB3 HIS 85 13.792 0.563 12.173 693 HD1 HIS 85 HD1 HIS 85 17.044 2.142 12.883 694 HD2 HIS 85 HD2 HIS 85 15.411 -1.678 12.932 695 HE1 HIS 85 HE1 HIS 85 18.659 0.738 14.204 696 HE2 HIS 85 HE2 HIS 85 17.689 -1.587 14.154 697 H HIS 86 H HIS 86 13.465 -0.322 8.465 698 HA HIS 86 HA HIS 86 11.587 1.936 8.327 699 1HB HIS 86 HB2 HIS 86 12.770 0.432 5.989 700 2HB HIS 86 HB3 HIS 86 11.471 1.613 5.868 701 HD1 HIS 86 HD1 HIS 86 12.136 4.113 6.611 702 HD2 HIS 86 HD2 HIS 86 15.290 1.496 5.936 703 HE1 HIS 86 HE1 HIS 86 14.169 5.567 6.340 704 HE2 HIS 86 HE2 HIS 86 16.049 3.966 5.840 705 H THR 87 H THR 87 9.465 1.459 7.710 706 HA THR 87 HA THR 87 8.699 -1.323 7.408 707 HB THR 87 HB THR 87 7.860 0.342 9.780 708 HG1 THR 87 HG1 THR 87 9.811 -0.929 9.941 709 1HG2 THR 87 3HG2 THR 87 6.698 -2.228 8.718 710 2HG2 THR 87 2HG2 THR 87 6.421 -1.621 10.351 711 3HG2 THR 87 1HG2 THR 87 5.867 -0.691 8.958 712 H LEU 88 H LEU 88 6.662 -1.617 6.521 713 HA LEU 88 HA LEU 88 5.537 0.773 5.275 714 1HB LEU 88 HB2 LEU 88 5.882 -1.020 3.761 715 2HB LEU 88 HB3 LEU 88 5.115 -2.166 4.837 716 HG LEU 88 HG LEU 88 2.958 -0.858 4.472 717 1HD1 LEU 88 3HD1 LEU 88 3.970 1.167 3.573 718 2HD1 LEU 88 2HD1 LEU 88 4.573 0.258 2.188 719 3HD1 LEU 88 1HD1 LEU 88 2.837 0.457 2.424 720 1HD2 LEU 88 2HD2 LEU 88 3.503 -3.054 3.444 721 2HD2 LEU 88 1HD2 LEU 88 2.439 -2.047 2.462 722 3HD2 LEU 88 3HD2 LEU 88 4.145 -2.187 2.049 723 H GLU 89 H GLU 89 4.151 1.845 6.521 724 HA GLU 89 HA GLU 89 2.461 0.525 8.427 725 1HB GLU 89 HB2 GLU 89 2.694 3.399 7.547 726 2HB GLU 89 HB3 GLU 89 1.607 2.849 8.814 727 1HG GLU 89 HG2 GLU 89 3.451 2.074 10.124 728 2HG GLU 89 HG3 GLU 89 4.588 2.493 8.846 729 H LEU 90 H LEU 90 0.755 -0.577 7.736 730 HA LEU 90 HA LEU 90 -1.004 0.693 5.739 731 1HB LEU 90 HB2 LEU 90 -0.441 -2.230 6.223 732 2HB LEU 90 HB3 LEU 90 -1.789 -1.664 5.257 733 HG LEU 90 HG LEU 90 1.143 -1.248 4.658 734 1HD1 LEU 90 2HD1 LEU 90 -0.987 -2.901 3.308 735 2HD1 LEU 90 1HD1 LEU 90 0.646 -2.646 2.694 736 3HD1 LEU 90 3HD1 LEU 90 0.399 -3.506 4.212 737 1HD2 LEU 90 2HD2 LEU 90 -1.297 -0.326 3.145 738 2HD2 LEU 90 1HD2 LEU 90 -0.123 0.702 3.966 739 3HD2 LEU 90 3HD2 LEU 90 0.363 -0.241 2.556 740 H VAL 91 H VAL 91 -3.211 0.727 6.156 741 HA VAL 91 HA VAL 91 -4.135 -0.435 8.680 742 HB VAL 91 HB VAL 91 -5.449 1.926 8.775 743 1HG1 VAL 91 2HG1 VAL 91 -2.884 1.062 10.066 744 2HG1 VAL 91 1HG1 VAL 91 -3.683 2.574 10.499 745 3HG1 VAL 91 3HG1 VAL 91 -4.524 1.040 10.724 746 1HG2 VAL 91 2HG2 VAL 91 -4.209 2.889 6.926 747 2HG2 VAL 91 1HG2 VAL 91 -3.833 3.735 8.429 748 3HG2 VAL 91 3HG2 VAL 91 -2.685 2.573 7.762 749 H TYR 92 H TYR 92 -6.438 -0.401 8.946 750 HA TYR 92 HA TYR 92 -7.880 -0.580 6.393 751 1HB TYR 92 HB2 TYR 92 -7.693 -2.519 8.171 752 2HB TYR 92 HB3 TYR 92 -8.954 -1.613 8.998 753 HD1 TYR 92 HD1 TYR 92 -10.848 -2.949 8.798 754 HD2 TYR 92 HD2 TYR 92 -8.492 -2.172 5.341 755 HE1 TYR 92 HE1 TYR 92 -12.547 -4.048 7.400 756 HE2 TYR 92 HE2 TYR 92 -10.185 -3.268 3.934 757 HH TYR 92 HH TYR 92 -11.984 -4.929 4.175 758 H THR 93 H THR 93 -8.250 1.668 6.216 759 HA THR 93 HA THR 93 -10.001 2.850 8.277 760 HB THR 93 HB THR 93 -7.990 4.107 8.172 761 HG1 THR 93 HG1 THR 93 -10.181 5.224 7.868 762 1HG2 THR 93 3HG2 THR 93 -8.361 4.144 5.176 763 2HG2 THR 93 2HG2 THR 93 -7.115 5.027 6.058 764 3HG2 THR 93 1HG2 THR 93 -7.119 3.263 6.065 765 H ARG 94 H ARG 94 -11.504 4.543 7.471 766 HA ARG 94 HA ARG 94 -12.743 3.665 4.958 767 1HB ARG 94 HB2 ARG 94 -13.891 5.266 7.251 768 2HB ARG 94 HB3 ARG 94 -14.769 4.823 5.795 769 1HG ARG 94 HG2 ARG 94 -14.435 2.442 6.366 770 2HG ARG 94 HG3 ARG 94 -13.672 2.949 7.874 771 1HD ARG 94 HD2 ARG 94 -16.005 2.373 8.242 772 2HD ARG 94 HD3 ARG 94 -15.728 4.090 8.536 773 HE ARG 94 HE ARG 94 -16.536 3.862 5.900 774 1HH1 ARG 94 1HH1 ARG 94 -17.848 3.177 9.055 775 2HH1 ARG 94 2HH1 ARG 94 -19.490 3.440 8.571 776 1HH2 ARG 94 1HH2 ARG 94 -18.695 4.211 5.255 777 2HH2 ARG 94 2HH2 ARG 94 -19.971 4.028 6.411 778 HA PRO 95 HA PRO 95 -10.648 7.473 3.411 779 1HB PRO 95 HB2 PRO 95 -12.170 6.365 1.080 780 2HB PRO 95 HB3 PRO 95 -10.554 7.074 1.126 781 1HG PRO 95 HG2 PRO 95 -10.843 4.434 1.027 782 2HG PRO 95 HG3 PRO 95 -9.602 5.162 2.063 783 1HD PRO 95 HD2 PRO 95 -12.202 3.923 2.806 784 2HD PRO 95 HD3 PRO 95 -10.673 3.971 3.702 785 H PHE 96 H PHE 96 -13.984 6.433 3.236 786 HA PHE 96 HA PHE 96 -15.047 8.902 2.331 787 1HB PHE 96 HB2 PHE 96 -16.345 6.550 3.714 788 2HB PHE 96 HB3 PHE 96 -17.201 7.868 2.939 789 HD1 PHE 96 HD1 PHE 96 -17.621 7.861 0.628 790 HD2 PHE 96 HD2 PHE 96 -14.886 5.064 2.306 791 HE1 PHE 96 HE1 PHE 96 -17.540 6.658 -1.517 792 HE2 PHE 96 HE2 PHE 96 -14.797 3.858 0.165 793 HZ PHE 96 HZ PHE 96 -16.126 4.654 -1.750 794 H GLU 97 H GLU 97 -14.620 7.387 5.502 795 HA GLU 97 HA GLU 97 -15.669 9.810 6.790 796 1HB GLU 97 HB2 GLU 97 -15.092 7.081 7.961 797 2HB GLU 97 HB3 GLU 97 -15.763 8.444 8.846 798 1HG GLU 97 HG2 GLU 97 -17.054 7.042 6.514 799 2HG GLU 97 HG3 GLU 97 -17.486 6.848 8.213 800 H GLY 98 H GLY 98 -13.132 7.441 7.596 801 1HA GLY 98 HA3 GLY 98 -11.583 9.453 8.959 802 2HA GLY 98 HA2 GLY 98 -10.862 8.939 7.438 803 H ILE 99 H ILE 99 -9.286 8.491 9.386 804 HA ILE 99 HA ILE 99 -9.353 5.601 9.684 805 HB ILE 99 HB ILE 99 -7.126 7.398 10.582 806 1HG1 ILE 99 2HG1 ILE 99 -7.433 6.245 7.807 807 2HG1 ILE 99 3HG1 ILE 99 -7.846 7.912 8.206 808 1HG2 ILE 99 2HG2 ILE 99 -7.451 4.506 9.882 809 2HG2 ILE 99 1HG2 ILE 99 -5.869 5.278 9.749 810 3HG2 ILE 99 3HG2 ILE 99 -6.702 5.236 11.303 811 1HD1 ILE 99 1HD1 ILE 99 -5.513 8.283 8.891 812 2HD1 ILE 99 3HD1 ILE 99 -5.130 6.624 8.432 813 3HD1 ILE 99 2HD1 ILE 99 -5.647 7.781 7.206 814 H LYS 100 H LYS 100 -9.267 4.519 11.619 815 HA LYS 100 HA LYS 100 -9.625 6.103 14.070 816 1HB LYS 100 HB2 LYS 100 -11.173 3.595 13.884 817 2HB LYS 100 HB3 LYS 100 -11.614 5.138 14.601 818 1HG LYS 100 HG2 LYS 100 -11.910 6.026 12.279 819 2HG LYS 100 HG3 LYS 100 -11.732 4.367 11.705 820 1HD LYS 100 HD2 LYS 100 -13.805 3.805 12.345 821 2HD LYS 100 HD3 LYS 100 -13.654 4.653 13.886 822 1HE LYS 100 HE2 LYS 100 -15.400 5.668 12.546 823 2HE LYS 100 HE3 LYS 100 -14.047 6.781 12.739 824 1HZ LYS 100 HZ3 LYS 100 -14.572 5.103 10.345 825 2HZ LYS 100 HZ2 LYS 100 -14.865 6.764 10.466 826 3HZ LYS 100 HZ1 LYS 100 -13.280 6.180 10.531 827 HA PRO 101 HA PRO 101 -6.831 3.394 16.120 828 1HB PRO 101 HB2 PRO 101 -8.848 2.821 18.213 829 2HB PRO 101 HB3 PRO 101 -7.255 3.565 18.360 830 1HG PRO 101 HG2 PRO 101 -9.459 5.043 18.587 831 2HG PRO 101 HG3 PRO 101 -8.036 5.669 17.735 832 1HD PRO 101 HD2 PRO 101 -10.554 4.485 16.612 833 2HD PRO 101 HD3 PRO 101 -9.673 5.936 16.092 834 H GLU 102 H GLU 102 -10.138 2.132 16.108 835 HA GLU 102 HA GLU 102 -9.498 -0.572 16.507 836 1HB GLU 102 HB2 GLU 102 -11.759 -1.026 15.626 837 2HB GLU 102 HB3 GLU 102 -11.742 0.240 16.849 838 1HG GLU 102 HG2 GLU 102 -11.830 1.930 15.123 839 2HG GLU 102 HG3 GLU 102 -11.801 0.681 13.882 840 H ASN 103 H ASN 103 -8.960 1.401 13.827 841 HA ASN 103 HA ASN 103 -9.386 -0.296 11.659 842 1HB ASN 103 HB2 ASN 103 -7.329 1.867 12.071 843 2HB ASN 103 HB3 ASN 103 -7.601 1.066 10.529 844 1HD2 ASN 103 1HD2 ASN 103 -10.271 1.626 12.655 845 2HD2 ASN 103 2HD2 ASN 103 -10.992 2.903 11.747 846 H GLU 104 H GLU 104 -8.330 -1.964 10.785 847 HA GLU 104 HA GLU 104 -6.508 -3.471 12.255 848 1HB GLU 104 HB2 GLU 104 -8.039 -3.949 10.091 849 2HB GLU 104 HB3 GLU 104 -6.478 -3.761 9.303 850 1HG GLU 104 HG2 GLU 104 -5.563 -5.583 10.407 851 2HG GLU 104 HG3 GLU 104 -6.810 -5.573 11.654 852 H ARG 105 H ARG 105 -4.278 -4.090 11.491 853 HA ARG 105 HA ARG 105 -2.852 -1.855 10.242 854 1HB ARG 105 HB2 ARG 105 -2.746 -1.468 12.654 855 2HB ARG 105 HB3 ARG 105 -2.123 -3.091 12.904 856 1HG ARG 105 HG2 ARG 105 -0.044 -2.394 12.606 857 2HG ARG 105 HG3 ARG 105 -0.460 -1.703 11.036 858 1HD ARG 105 HD2 ARG 105 0.412 0.029 12.466 859 2HD ARG 105 HD3 ARG 105 -1.304 0.311 12.165 860 HE ARG 105 HE ARG 105 -1.042 -1.160 14.533 861 1HH1 ARG 105 1HH1 ARG 105 -0.351 2.018 13.283 862 2HH1 ARG 105 2HH1 ARG 105 -0.505 2.798 14.822 863 1HH2 ARG 105 1HH2 ARG 105 -1.247 -0.142 16.564 864 2HH2 ARG 105 2HH2 ARG 105 -1.014 1.570 16.687 865 H TYR 106 H TYR 106 -0.718 -2.378 9.511 866 HA TYR 106 HA TYR 106 0.290 -5.037 9.637 867 1HB TYR 106 HB2 TYR 106 -1.341 -5.493 7.970 868 2HB TYR 106 HB3 TYR 106 -0.872 -4.078 7.024 869 HD1 TYR 106 HD1 TYR 106 -0.159 -7.525 7.868 870 HD2 TYR 106 HD2 TYR 106 1.285 -4.115 5.781 871 HE1 TYR 106 HE1 TYR 106 1.405 -8.952 6.635 872 HE2 TYR 106 HE2 TYR 106 2.861 -5.534 4.538 873 HH TYR 106 HH TYR 106 2.656 -8.922 4.515 874 H THR 107 H THR 107 2.227 -4.431 10.193 875 HA THR 107 HA THR 107 3.581 -2.288 8.746 876 HB THR 107 HB THR 107 5.236 -2.882 10.762 877 HG1 THR 107 HG1 THR 107 2.831 -3.223 12.118 878 1HG2 THR 107 2HG2 THR 107 4.250 -0.680 10.315 879 2HG2 THR 107 1HG2 THR 107 2.735 -1.217 11.041 880 3HG2 THR 107 3HG2 THR 107 4.186 -1.070 12.034 881 H LEU 108 H LEU 108 4.729 -3.034 7.026 882 HA LEU 108 HA LEU 108 5.730 -5.704 6.911 883 1HB LEU 108 HB2 LEU 108 5.044 -4.426 4.904 884 2HB LEU 108 HB3 LEU 108 6.427 -3.375 5.133 885 HG LEU 108 HG LEU 108 7.958 -5.191 4.704 886 1HD1 LEU 108 3HD1 LEU 108 5.502 -6.923 4.462 887 2HD1 LEU 108 2HD1 LEU 108 7.145 -7.419 4.059 888 3HD1 LEU 108 1HD1 LEU 108 6.730 -7.015 5.724 889 1HD2 LEU 108 1HD2 LEU 108 7.055 -3.962 2.786 890 2HD2 LEU 108 3HD2 LEU 108 7.440 -5.633 2.379 891 3HD2 LEU 108 2HD2 LEU 108 5.764 -5.154 2.641 892 H HIS 109 H HIS 109 7.516 -6.498 7.594 893 HA HIS 109 HA HIS 109 9.384 -5.137 9.184 894 1HB HIS 109 HB2 HIS 109 10.643 -7.396 8.831 895 2HB HIS 109 HB3 HIS 109 9.101 -7.403 9.669 896 HD1 HIS 109 HD1 HIS 109 10.169 -7.681 6.018 897 HD2 HIS 109 HD2 HIS 109 7.610 -9.458 8.767 898 HE1 HIS 109 HE1 HIS 109 9.012 -9.528 4.763 899 HE2 HIS 109 HE2 HIS 109 7.528 -10.640 6.468 900 H LEU 110 H LEU 110 9.903 -3.406 7.330 901 HA LEU 110 HA LEU 110 11.939 -4.497 5.518 902 1HB LEU 110 HB2 LEU 110 10.532 -1.836 5.418 903 2HB LEU 110 HB3 LEU 110 11.693 -2.423 4.248 904 HG LEU 110 HG LEU 110 9.021 -3.711 4.807 905 1HD1 LEU 110 2HD1 LEU 110 9.927 -1.896 2.580 906 2HD1 LEU 110 1HD1 LEU 110 8.435 -2.837 2.559 907 3HD1 LEU 110 3HD1 LEU 110 8.666 -1.580 3.773 908 1HD2 LEU 110 2HD2 LEU 110 11.085 -4.245 2.674 909 2HD2 LEU 110 1HD2 LEU 110 10.695 -5.299 4.033 910 3HD2 LEU 110 3HD2 LEU 110 9.493 -4.998 2.779 911 H ASN 111 H ASN 111 13.012 -4.372 7.952 912 HA ASN 111 HA ASN 111 14.220 -1.859 8.553 913 1HB ASN 111 HB2 ASN 111 13.991 -3.522 10.310 914 2HB ASN 111 HB3 ASN 111 14.969 -4.668 9.400 915 1HD2 ASN 111 1HD2 ASN 111 16.455 -4.873 11.061 916 2HD2 ASN 111 2HD2 ASN 111 17.588 -3.627 11.443 917 H VAL 112 H VAL 112 14.898 -1.351 6.387 918 HA VAL 112 HA VAL 112 16.655 -2.786 4.806 919 HB VAL 112 HB VAL 112 16.839 0.205 4.961 920 1HG1 VAL 112 2HG1 VAL 112 18.232 -1.042 3.351 921 2HG1 VAL 112 1HG1 VAL 112 16.764 -1.699 2.625 922 3HG1 VAL 112 3HG1 VAL 112 17.079 0.036 2.563 923 1HG2 VAL 112 3HG2 VAL 112 14.513 -1.406 3.923 924 2HG2 VAL 112 2HG2 VAL 112 14.492 -0.142 5.153 925 3HG2 VAL 112 1HG2 VAL 112 14.818 0.272 3.472 926 H LYS 113 H LYS 113 18.899 -2.684 4.465 927 HA LYS 113 HA LYS 113 20.425 -2.085 6.889 928 1HB LYS 113 HB2 LYS 113 21.120 -3.717 4.444 929 2HB LYS 113 HB3 LYS 113 22.210 -3.445 5.796 930 1HG LYS 113 HG2 LYS 113 19.530 -4.576 6.380 931 2HG LYS 113 HG3 LYS 113 20.725 -5.618 5.607 932 1HD LYS 113 HD2 LYS 113 20.932 -5.944 7.953 933 2HD LYS 113 HD3 LYS 113 22.321 -4.984 7.440 934 1HE LYS 113 HE2 LYS 113 21.273 -4.198 9.553 935 2HE LYS 113 HE3 LYS 113 21.331 -2.976 8.283 936 1HZ LYS 113 HZ3 LYS 113 18.958 -4.617 8.992 937 2HZ LYS 113 HZ2 LYS 113 19.191 -2.994 9.403 938 3HZ LYS 113 HZ1 LYS 113 19.015 -3.437 7.780 No H/Q in entry = 938 Start of MODEL 20 1 H1 GLY -2 HT2 GLY -2 -0.694 3.844 33.652 2 H2 GLY -2 HT1 GLY -2 0.028 2.779 34.749 3 H3 GLY -2 HT3 GLY -2 -0.372 4.350 35.233 4 1HA GLY -2 HA2 GLY -2 1.999 4.174 34.856 5 2HA GLY -2 HA3 GLY -2 1.249 5.281 33.716 6 H SER -1 H SER -1 1.650 1.741 33.892 7 HA SER -1 HA SER -1 2.350 1.728 31.057 8 1HB SER -1 HB2 SER -1 4.338 0.319 31.464 9 2HB SER -1 HB3 SER -1 4.505 1.912 32.204 10 HG SER -1 HG SER -1 3.368 0.331 33.988 11 H HIS 0 H HIS 0 2.258 -0.401 30.091 12 HA HIS 0 HA HIS 0 1.072 -2.538 31.657 13 1HB HIS 0 HB2 HIS 0 -0.858 -2.774 30.104 14 2HB HIS 0 HB3 HIS 0 -0.907 -1.288 31.048 15 HD1 HIS 0 HD1 HIS 0 -0.789 0.919 29.783 16 HD2 HIS 0 HD2 HIS 0 -0.337 -2.409 27.338 17 HE1 HIS 0 HE1 HIS 0 -0.949 1.788 27.429 18 HE2 HIS 0 HE2 HIS 0 -0.582 -0.231 25.967 19 H MET 1 H MET 1 1.048 -4.572 30.555 20 HA MET 1 HA MET 1 3.277 -4.918 28.814 21 1HB MET 1 HB2 MET 1 1.126 -6.874 29.645 22 2HB MET 1 HB3 MET 1 2.612 -7.301 28.809 23 1HG MET 1 HG2 MET 1 3.913 -6.481 30.714 24 2HG MET 1 HG3 MET 1 2.416 -6.081 31.554 25 1HE MET 1 HE1 MET 1 0.652 -7.880 32.383 26 2HE MET 1 HE3 MET 1 0.538 -8.520 30.743 27 3HE MET 1 HE2 MET 1 0.817 -9.613 32.099 28 H ILE 2 H ILE 2 3.001 -6.356 26.803 29 HA ILE 2 HA ILE 2 1.097 -5.007 25.056 30 HB ILE 2 HB ILE 2 2.338 -6.049 23.211 31 1HG1 ILE 2 2HG1 ILE 2 4.117 -7.198 25.376 32 2HG1 ILE 2 3HG1 ILE 2 2.965 -8.130 24.424 33 1HG2 ILE 2 3HG2 ILE 2 3.058 -3.888 24.068 34 2HG2 ILE 2 2HG2 ILE 2 4.101 -4.687 25.244 35 3HG2 ILE 2 1HG2 ILE 2 4.443 -4.832 23.520 36 1HD1 ILE 2 2HD1 ILE 2 5.357 -6.658 23.344 37 2HD1 ILE 2 1HD1 ILE 2 5.227 -8.400 23.591 38 3HD1 ILE 2 3HD1 ILE 2 4.205 -7.601 22.396 39 H ALA 3 H ALA 3 0.535 -7.303 27.035 40 HA ALA 3 HA ALA 3 -0.093 -9.662 25.750 41 1HB ALA 3 HB2 ALA 3 -0.237 -9.351 28.172 42 2HB ALA 3 HB3 ALA 3 -1.722 -10.044 27.521 43 3HB ALA 3 HB1 ALA 3 -1.662 -8.336 27.957 44 HA PRO 4 HA PRO 4 -3.260 -7.983 22.984 45 1HB PRO 4 HB2 PRO 4 -3.313 -10.048 21.266 46 2HB PRO 4 HB3 PRO 4 -1.995 -8.868 21.264 47 1HG PRO 4 HG2 PRO 4 -2.086 -11.609 22.469 48 2HG PRO 4 HG3 PRO 4 -0.787 -10.839 21.541 49 1HD PRO 4 HD2 PRO 4 -0.805 -10.998 24.269 50 2HD PRO 4 HD3 PRO 4 0.011 -9.704 23.368 51 H LEU 5 H LEU 5 -5.444 -8.318 22.802 52 HA LEU 5 HA LEU 5 -6.563 -10.435 24.477 53 1HB LEU 5 HB2 LEU 5 -7.736 -7.920 23.304 54 2HB LEU 5 HB3 LEU 5 -8.715 -9.134 24.103 55 HG LEU 5 HG LEU 5 -7.318 -8.788 26.165 56 1HD1 LEU 5 1HD1 LEU 5 -6.268 -6.450 24.576 57 2HD1 LEU 5 3HD1 LEU 5 -6.024 -6.702 26.305 58 3HD1 LEU 5 2HD1 LEU 5 -5.338 -7.836 25.144 59 1HD2 LEU 5 3HD2 LEU 5 -9.516 -7.769 25.914 60 2HD2 LEU 5 2HD2 LEU 5 -8.420 -6.697 26.785 61 3HD2 LEU 5 1HD2 LEU 5 -8.792 -6.388 25.090 62 H SER 6 H SER 6 -5.985 -9.745 21.226 63 HA SER 6 HA SER 6 -7.768 -11.933 20.419 64 1HB SER 6 HB2 SER 6 -7.439 -9.313 18.937 65 2HB SER 6 HB3 SER 6 -8.333 -10.711 18.342 66 HG SER 6 HG SER 6 -9.342 -8.811 19.709 67 H VAL 7 H VAL 7 -7.193 -12.372 17.915 68 HA VAL 7 HA VAL 7 -4.278 -12.770 17.883 69 HB VAL 7 HB VAL 7 -6.350 -14.292 16.301 70 1HG1 VAL 7 1HG1 VAL 7 -4.124 -14.297 15.308 71 2HG1 VAL 7 3HG1 VAL 7 -3.434 -14.848 16.836 72 3HG1 VAL 7 2HG1 VAL 7 -4.535 -15.892 15.937 73 1HG2 VAL 7 3HG2 VAL 7 -4.984 -15.046 18.882 74 2HG2 VAL 7 2HG2 VAL 7 -6.697 -14.684 18.671 75 3HG2 VAL 7 1HG2 VAL 7 -5.999 -16.114 17.911 76 H LYS 8 H LYS 8 -3.586 -10.904 16.884 77 HA LYS 8 HA LYS 8 -4.218 -10.704 14.045 78 1HB LYS 8 HB2 LYS 8 -3.983 -8.072 14.715 79 2HB LYS 8 HB3 LYS 8 -5.499 -8.910 14.438 80 1HG LYS 8 HG2 LYS 8 -5.635 -7.642 16.479 81 2HG LYS 8 HG3 LYS 8 -5.647 -9.366 16.861 82 1HD LYS 8 HD2 LYS 8 -4.172 -8.433 18.425 83 2HD LYS 8 HD3 LYS 8 -3.123 -9.131 17.186 84 1HE LYS 8 HE2 LYS 8 -2.346 -6.914 17.846 85 2HE LYS 8 HE3 LYS 8 -2.857 -6.936 16.159 86 1HZ LYS 8 HZ2 LYS 8 -4.473 -5.923 18.435 87 2HZ LYS 8 HZ1 LYS 8 -3.658 -4.968 17.302 88 3HZ LYS 8 HZ3 LYS 8 -4.955 -5.939 16.815 89 H ASP 9 H ASP 9 -2.216 -11.525 13.613 90 HA ASP 9 HA ASP 9 0.130 -10.059 14.568 91 1HB ASP 9 HB2 ASP 9 0.029 -12.576 14.721 92 2HB ASP 9 HB3 ASP 9 0.076 -12.620 12.960 93 H ASN 10 H ASN 10 -1.739 -9.017 12.538 94 HA ASN 10 HA ASN 10 -0.849 -9.205 9.935 95 1HB ASN 10 HB2 ASN 10 -1.675 -6.529 10.992 96 2HB ASN 10 HB3 ASN 10 -2.128 -7.335 9.491 97 1HD2 ASN 10 1HD2 ASN 10 -2.796 -6.984 12.860 98 2HD2 ASN 10 2HD2 ASN 10 -4.293 -7.844 12.864 99 H ASP 11 H ASP 11 -0.017 -6.603 12.162 100 HA ASP 11 HA ASP 11 1.977 -5.422 10.668 101 1HB ASP 11 HB2 ASP 11 2.808 -4.591 12.945 102 2HB ASP 11 HB3 ASP 11 1.151 -4.198 12.499 103 H LYS 12 H LYS 12 3.567 -6.555 9.801 104 HA LYS 12 HA LYS 12 5.088 -8.427 11.467 105 1HB LYS 12 HB2 LYS 12 6.037 -9.251 9.343 106 2HB LYS 12 HB3 LYS 12 4.284 -9.363 9.381 107 1HG LYS 12 HG2 LYS 12 4.101 -7.378 7.998 108 2HG LYS 12 HG3 LYS 12 5.858 -7.212 7.987 109 1HD LYS 12 HD2 LYS 12 4.363 -9.610 6.933 110 2HD LYS 12 HD3 LYS 12 4.943 -8.277 5.934 111 1HE LYS 12 HE2 LYS 12 7.241 -8.745 6.661 112 2HE LYS 12 HE3 LYS 12 6.651 -10.098 7.627 113 1HZ LYS 12 HZ2 LYS 12 5.861 -11.153 5.600 114 2HZ LYS 12 HZ1 LYS 12 6.430 -9.856 4.675 115 3HZ LYS 12 HZ3 LYS 12 7.521 -10.847 5.506 116 H TRP 13 H TRP 13 6.918 -7.761 12.323 117 HA TRP 13 HA TRP 13 8.207 -5.365 11.256 118 1HB TRP 13 HB2 TRP 13 8.624 -6.645 13.966 119 2HB TRP 13 HB3 TRP 13 9.049 -5.014 13.470 120 HD1 TRP 13 HD1 TRP 13 5.668 -6.941 13.351 121 HE1 TRP 13 HE1 TRP 13 3.852 -5.440 14.359 122 HE3 TRP 13 HE3 TRP 13 8.559 -2.938 14.705 123 HZ2 TRP 13 HZ2 TRP 13 3.635 -2.912 15.555 124 HZ3 TRP 13 HZ3 TRP 13 7.462 -1.021 15.793 125 HH2 TRP 13 HH2 TRP 13 5.055 -1.012 16.214 126 H VAL 14 H VAL 14 9.922 -5.773 9.925 127 HA VAL 14 HA VAL 14 11.911 -7.738 10.805 128 HB VAL 14 HB VAL 14 12.011 -8.829 8.595 129 1HG1 VAL 14 3HG1 VAL 14 10.813 -9.903 10.423 130 2HG1 VAL 14 2HG1 VAL 14 9.336 -9.053 9.968 131 3HG1 VAL 14 1HG1 VAL 14 10.039 -10.247 8.875 132 1HG2 VAL 14 1HG2 VAL 14 10.996 -7.069 7.257 133 2HG2 VAL 14 3HG2 VAL 14 10.134 -8.592 7.039 134 3HG2 VAL 14 2HG2 VAL 14 9.449 -7.331 8.062 135 H ASP 15 H ASP 15 13.586 -7.925 8.883 136 HA ASP 15 HA ASP 15 14.627 -5.230 8.506 137 1HB ASP 15 HB2 ASP 15 15.742 -7.990 8.551 138 2HB ASP 15 HB3 ASP 15 16.624 -6.755 7.651 139 H THR 16 H THR 16 16.175 -5.394 6.284 140 HA THR 16 HA THR 16 14.939 -6.639 4.059 141 HB THR 16 HB THR 16 13.306 -4.734 4.745 142 HG1 THR 16 HG1 THR 16 12.637 -5.314 2.827 143 1HG2 THR 16 3HG2 THR 16 15.001 -2.971 4.910 144 2HG2 THR 16 2HG2 THR 16 15.361 -3.162 3.196 145 3HG2 THR 16 1HG2 THR 16 13.776 -2.585 3.704 146 H HIS 17 H HIS 17 15.525 -5.200 1.967 147 HA HIS 17 HA HIS 17 18.367 -4.459 2.204 148 1HB HIS 17 HB2 HIS 17 16.910 -6.120 0.172 149 2HB HIS 17 HB3 HIS 17 18.377 -5.267 -0.290 150 HD1 HIS 17 HD1 HIS 17 17.171 -8.283 1.410 151 HD2 HIS 17 HD2 HIS 17 20.723 -6.141 1.157 152 HE1 HIS 17 HE1 HIS 17 18.953 -9.832 2.277 153 HE2 HIS 17 HE2 HIS 17 21.081 -8.485 2.189 154 H VAL 18 H VAL 18 18.274 -3.725 -0.734 155 HA VAL 18 HA VAL 18 16.868 -1.165 -0.369 156 HB VAL 18 HB VAL 18 19.131 -1.742 -2.281 157 1HG1 VAL 18 1HG1 VAL 18 17.737 0.810 -1.476 158 2HG1 VAL 18 3HG1 VAL 18 19.229 0.744 -2.413 159 3HG1 VAL 18 2HG1 VAL 18 17.745 0.055 -3.069 160 1HG2 VAL 18 2HG2 VAL 18 19.885 -1.908 0.034 161 2HG2 VAL 18 1HG2 VAL 18 20.535 -0.464 -0.741 162 3HG2 VAL 18 3HG2 VAL 18 19.183 -0.329 0.384 163 H GLY 19 H GLY 19 15.225 -0.657 -1.618 164 1HA GLY 19 HA3 GLY 19 14.910 -1.155 -4.330 165 2HA GLY 19 HA2 GLY 19 13.603 -0.792 -3.220 166 H LYS 20 H LYS 20 14.435 -3.342 -1.703 167 HA LYS 20 HA LYS 20 13.947 -5.512 -3.450 168 1HB LYS 20 HB2 LYS 20 14.720 -5.257 -0.825 169 2HB LYS 20 HB3 LYS 20 13.102 -5.909 -0.670 170 1HG LYS 20 HG2 LYS 20 14.413 -7.801 -0.733 171 2HG LYS 20 HG3 LYS 20 13.875 -7.646 -2.409 172 1HD LYS 20 HD2 LYS 20 15.942 -6.789 -3.107 173 2HD LYS 20 HD3 LYS 20 16.426 -6.421 -1.457 174 1HE LYS 20 HE2 LYS 20 17.623 -8.373 -2.320 175 2HE LYS 20 HE3 LYS 20 16.590 -8.803 -0.958 176 1HZ LYS 20 HZ3 LYS 20 15.931 -9.216 -3.824 177 2HZ LYS 20 HZ2 LYS 20 16.419 -10.420 -2.741 178 3HZ LYS 20 HZ1 LYS 20 14.940 -9.631 -2.517 179 H THR 21 H THR 21 12.179 -4.840 -4.693 180 HA THR 21 HA THR 21 9.739 -3.901 -3.918 181 HB THR 21 HB THR 21 10.004 -6.003 -6.060 182 HG1 THR 21 HG1 THR 21 10.287 -3.657 -7.162 183 1HG2 THR 21 1HG2 THR 21 8.251 -3.558 -5.778 184 2HG2 THR 21 3HG2 THR 21 8.266 -4.655 -7.158 185 3HG2 THR 21 2HG2 THR 21 7.738 -5.233 -5.578 186 H THR 22 H THR 22 8.690 -4.641 -2.176 187 HA THR 22 HA THR 22 8.234 -7.523 -1.898 188 HB THR 22 HB THR 22 7.763 -5.255 0.051 189 HG1 THR 22 HG1 THR 22 9.859 -5.643 0.244 190 1HG2 THR 22 2HG2 THR 22 6.104 -7.057 0.339 191 2HG2 THR 22 1HG2 THR 22 7.418 -8.224 0.488 192 3HG2 THR 22 3HG2 THR 22 7.221 -6.958 1.702 193 H GLU 23 H GLU 23 6.665 -7.916 -3.375 194 HA GLU 23 HA GLU 23 4.297 -6.338 -3.596 195 1HB GLU 23 HB2 GLU 23 5.300 -7.551 -5.491 196 2HB GLU 23 HB3 GLU 23 4.964 -9.074 -4.682 197 1HG GLU 23 HG2 GLU 23 2.619 -8.760 -4.881 198 2HG GLU 23 HG3 GLU 23 2.841 -7.096 -5.420 199 H ILE 24 H ILE 24 2.479 -6.531 -2.480 200 HA ILE 24 HA ILE 24 1.932 -9.072 -1.108 201 HB ILE 24 HB ILE 24 1.539 -6.345 0.098 202 1HG1 ILE 24 2HG1 ILE 24 3.554 -8.514 0.694 203 2HG1 ILE 24 3HG1 ILE 24 3.895 -6.914 0.046 204 1HG2 ILE 24 1HG2 ILE 24 -0.164 -7.978 0.758 205 2HG2 ILE 24 3HG2 ILE 24 1.108 -9.086 1.278 206 3HG2 ILE 24 2HG2 ILE 24 0.883 -7.548 2.111 207 1HD1 ILE 24 3HD1 ILE 24 2.805 -7.496 2.787 208 2HD1 ILE 24 2HD1 ILE 24 4.470 -7.069 2.398 209 3HD1 ILE 24 1HD1 ILE 24 3.175 -5.900 2.132 210 H HIS 25 H HIS 25 0.251 -9.796 -2.219 211 HA HIS 25 HA HIS 25 -1.908 -8.034 -3.013 212 1HB HIS 25 HB2 HIS 25 -2.137 -10.993 -3.215 213 2HB HIS 25 HB3 HIS 25 -2.661 -9.754 -4.344 214 HD1 HIS 25 HD1 HIS 25 -0.112 -12.248 -3.892 215 HD2 HIS 25 HD2 HIS 25 -0.350 -8.552 -5.772 216 HE1 HIS 25 HE1 HIS 25 1.804 -12.197 -5.518 217 HE2 HIS 25 HE2 HIS 25 1.541 -10.017 -6.751 218 H LEU 26 H LEU 26 -3.242 -7.433 -1.430 219 HA LEU 26 HA LEU 26 -3.924 -9.366 0.674 220 1HB LEU 26 HB2 LEU 26 -4.371 -6.390 0.599 221 2HB LEU 26 HB3 LEU 26 -4.692 -7.440 1.963 222 HG LEU 26 HG LEU 26 -1.932 -7.049 0.809 223 1HD1 LEU 26 3HD1 LEU 26 -2.786 -4.897 1.575 224 2HD1 LEU 26 2HD1 LEU 26 -3.219 -5.614 3.126 225 3HD1 LEU 26 1HD1 LEU 26 -1.525 -5.498 2.651 226 1HD2 LEU 26 3HD2 LEU 26 -2.317 -9.085 2.149 227 2HD2 LEU 26 2HD2 LEU 26 -1.187 -7.967 2.916 228 3HD2 LEU 26 1HD2 LEU 26 -2.850 -8.072 3.492 229 H LYS 27 H LYS 27 -6.092 -9.724 1.238 230 HA LYS 27 HA LYS 27 -7.964 -9.151 -0.943 231 1HB LYS 27 HB2 LYS 27 -8.443 -11.099 1.296 232 2HB LYS 27 HB3 LYS 27 -9.217 -11.037 -0.280 233 1HG LYS 27 HG2 LYS 27 -7.032 -11.631 -1.313 234 2HG LYS 27 HG3 LYS 27 -6.383 -11.854 0.314 235 1HD LYS 27 HD2 LYS 27 -7.030 -13.999 -0.547 236 2HD LYS 27 HD3 LYS 27 -8.158 -13.544 0.732 237 1HE LYS 27 HE2 LYS 27 -9.775 -12.813 -0.945 238 2HE LYS 27 HE3 LYS 27 -8.647 -13.247 -2.230 239 1HZ LYS 27 HZ2 LYS 27 -8.763 -15.548 -1.503 240 2HZ LYS 27 HZ1 LYS 27 -9.845 -15.132 -0.271 241 3HZ LYS 27 HZ3 LYS 27 -10.303 -14.968 -1.892 242 H GLY 28 H GLY 28 -10.226 -8.709 -0.326 243 1HA GLY 28 HA3 GLY 28 -10.311 -6.497 1.462 244 2HA GLY 28 HA2 GLY 28 -11.077 -7.903 2.177 245 H ASN 29 H ASN 29 -12.248 -5.347 1.410 246 HA ASN 29 HA ASN 29 -13.729 -5.569 -0.978 247 1HB ASN 29 HB2 ASN 29 -14.803 -7.450 0.169 248 2HB ASN 29 HB3 ASN 29 -15.198 -6.405 1.531 249 1HD2 ASN 29 1HD2 ASN 29 -17.392 -6.770 1.316 250 2HD2 ASN 29 2HD2 ASN 29 -18.321 -6.089 0.029 251 HA PRO 30 HA PRO 30 -13.704 -1.299 0.578 252 1HB PRO 30 HB2 PRO 30 -14.782 -0.278 -1.755 253 2HB PRO 30 HB3 PRO 30 -13.057 -0.509 -1.458 254 1HG PRO 30 HG2 PRO 30 -14.976 -2.251 -2.947 255 2HG PRO 30 HG3 PRO 30 -13.296 -1.842 -3.338 256 1HD PRO 30 HD2 PRO 30 -13.941 -4.209 -2.264 257 2HD PRO 30 HD3 PRO 30 -12.439 -3.373 -1.817 258 H THR 31 H THR 31 -16.333 -3.163 -0.750 259 HA THR 31 HA THR 31 -18.442 -1.368 -0.334 260 HB THR 31 HB THR 31 -18.604 -4.377 -0.143 261 HG1 THR 31 HG1 THR 31 -18.761 -2.741 -2.475 262 1HG2 THR 31 1HG2 THR 31 -20.595 -2.286 -1.010 263 2HG2 THR 31 3HG2 THR 31 -20.861 -4.029 -1.027 264 3HG2 THR 31 2HG2 THR 31 -20.630 -3.188 0.505 265 H THR 32 H THR 32 -16.626 -3.348 1.853 266 HA THR 32 HA THR 32 -18.474 -3.612 3.948 267 HB THR 32 HB THR 32 -16.551 -3.985 5.417 268 HG1 THR 32 HG1 THR 32 -14.862 -2.794 4.917 269 1HG2 THR 32 3HG2 THR 32 -16.210 -5.239 2.690 270 2HG2 THR 32 2HG2 THR 32 -15.519 -5.850 4.194 271 3HG2 THR 32 1HG2 THR 32 -17.269 -5.818 3.976 272 H GLY 33 H GLY 33 -15.848 -1.214 3.573 273 1HA GLY 33 HA3 GLY 33 -17.070 0.410 5.672 274 2HA GLY 33 HA2 GLY 33 -17.002 1.113 4.064 275 H TYR 34 H TYR 34 -14.358 -0.892 4.498 276 HA TYR 34 HA TYR 34 -12.694 1.410 5.279 277 1HB TYR 34 HB2 TYR 34 -12.232 -1.495 5.970 278 2HB TYR 34 HB3 TYR 34 -11.121 -0.180 6.330 279 HD1 TYR 34 HD1 TYR 34 -14.571 -1.387 7.009 280 HD2 TYR 34 HD2 TYR 34 -11.316 1.022 8.340 281 HE1 TYR 34 HE1 TYR 34 -15.720 -1.028 9.153 282 HE2 TYR 34 HE2 TYR 34 -12.463 1.383 10.484 283 HH TYR 34 HH TYR 34 -14.752 1.333 11.385 284 H MET 35 H MET 35 -10.240 0.631 4.769 285 HA MET 35 HA MET 35 -10.024 -0.617 2.173 286 1HB MET 35 HB2 MET 35 -10.258 1.476 1.248 287 2HB MET 35 HB3 MET 35 -9.707 2.293 2.703 288 1HG MET 35 HG2 MET 35 -7.400 1.501 2.177 289 2HG MET 35 HG3 MET 35 -8.024 0.910 0.653 290 1HE MET 35 HE3 MET 35 -10.139 3.041 -0.139 291 2HE MET 35 HE2 MET 35 -9.237 4.257 -1.044 292 3HE MET 35 HE1 MET 35 -8.940 2.544 -1.333 293 H TRP 36 H TRP 36 -7.885 -1.205 1.678 294 HA TRP 36 HA TRP 36 -6.107 -1.302 4.001 295 1HB TRP 36 HB2 TRP 36 -6.514 -2.986 1.585 296 2HB TRP 36 HB3 TRP 36 -4.905 -2.913 2.271 297 HD1 TRP 36 HD1 TRP 36 -8.279 -4.487 2.768 298 HE1 TRP 36 HE1 TRP 36 -8.213 -6.043 4.816 299 HE3 TRP 36 HE3 TRP 36 -3.754 -3.107 4.681 300 HZ2 TRP 36 HZ2 TRP 36 -6.471 -6.607 6.964 301 HZ3 TRP 36 HZ3 TRP 36 -2.959 -4.198 6.731 302 HH2 TRP 36 HH2 TRP 36 -4.289 -5.913 7.852 303 H THR 37 H THR 37 -5.181 0.759 3.879 304 HA THR 37 HA THR 37 -3.332 1.109 1.621 305 HB THR 37 HB THR 37 -5.303 2.498 1.154 306 HG1 THR 37 HG1 THR 37 -3.923 4.627 1.466 307 1HG2 THR 37 1HG2 THR 37 -4.627 3.796 3.803 308 2HG2 THR 37 3HG2 THR 37 -5.799 4.415 2.639 309 3HG2 THR 37 2HG2 THR 37 -6.076 2.863 3.429 310 H ARG 38 H ARG 38 -1.929 3.273 2.247 311 HA ARG 38 HA ARG 38 -0.595 2.519 4.703 312 1HB ARG 38 HB2 ARG 38 0.065 4.213 2.348 313 2HB ARG 38 HB3 ARG 38 0.850 4.611 3.862 314 1HG ARG 38 HG2 ARG 38 1.857 2.502 4.020 315 2HG ARG 38 HG3 ARG 38 0.893 1.870 2.684 316 1HD ARG 38 HD2 ARG 38 3.299 2.533 2.202 317 2HD ARG 38 HD3 ARG 38 2.082 3.096 1.091 318 HE ARG 38 HE ARG 38 2.317 5.281 2.080 319 1HH1 ARG 38 1HH1 ARG 38 4.677 2.920 3.078 320 2HH1 ARG 38 2HH1 ARG 38 5.871 4.100 3.507 321 1HH2 ARG 38 1HH2 ARG 38 3.906 6.847 2.624 322 2HH2 ARG 38 2HH2 ARG 38 5.432 6.325 3.254 323 H VAL 39 H VAL 39 0.091 4.122 6.300 324 HA VAL 39 HA VAL 39 -2.130 5.595 7.302 325 HB VAL 39 HB VAL 39 0.747 5.648 8.226 326 1HG1 VAL 39 1HG1 VAL 39 -1.790 6.505 9.616 327 2HG1 VAL 39 3HG1 VAL 39 -0.193 6.427 10.361 328 3HG1 VAL 39 2HG1 VAL 39 -0.499 7.563 9.047 329 1HG2 VAL 39 1HG2 VAL 39 -0.434 3.407 8.189 330 2HG2 VAL 39 3HG2 VAL 39 0.218 3.929 9.741 331 3HG2 VAL 39 2HG2 VAL 39 -1.510 4.069 9.420 332 H GLY 40 H GLY 40 -2.496 7.773 7.434 333 1HA GLY 40 HA3 GLY 40 -0.557 9.726 6.651 334 2HA GLY 40 HA2 GLY 40 -2.250 10.027 7.011 335 H PHE 41 H PHE 41 -2.338 7.627 4.841 336 HA PHE 41 HA PHE 41 -2.505 9.496 2.574 337 1HB PHE 41 HB2 PHE 41 -1.630 6.604 2.453 338 2HB PHE 41 HB3 PHE 41 -1.724 7.722 1.095 339 HD1 PHE 41 HD1 PHE 41 0.357 6.334 3.547 340 HD2 PHE 41 HD2 PHE 41 -0.319 9.908 1.350 341 HE1 PHE 41 HE1 PHE 41 2.665 7.053 4.015 342 HE2 PHE 41 HE2 PHE 41 1.988 10.637 1.807 343 HZ PHE 41 HZ PHE 41 3.483 9.208 3.145 344 H VAL 42 H VAL 42 -4.160 7.530 4.616 345 HA VAL 42 HA VAL 42 -5.942 5.972 3.406 346 HB VAL 42 HB VAL 42 -6.276 6.391 5.704 347 1HG1 VAL 42 2HG1 VAL 42 -5.398 8.658 5.789 348 2HG1 VAL 42 1HG1 VAL 42 -6.856 9.267 5.006 349 3HG1 VAL 42 3HG1 VAL 42 -6.951 8.558 6.618 350 1HG2 VAL 42 2HG2 VAL 42 -8.335 5.897 4.430 351 2HG2 VAL 42 1HG2 VAL 42 -8.640 6.833 5.893 352 3HG2 VAL 42 3HG2 VAL 42 -8.650 7.628 4.320 353 H GLY 43 H GLY 43 -6.507 6.271 1.306 354 1HA GLY 43 HA3 GLY 43 -7.917 8.775 0.623 355 2HA GLY 43 HA2 GLY 43 -8.581 7.207 0.193 356 H LYS 44 H LYS 44 -5.262 8.461 0.003 357 HA LYS 44 HA LYS 44 -5.214 8.898 -2.762 358 1HB LYS 44 HB2 LYS 44 -2.945 8.244 -0.876 359 2HB LYS 44 HB3 LYS 44 -2.760 8.890 -2.497 360 1HG LYS 44 HG2 LYS 44 -3.957 10.915 -1.832 361 2HG LYS 44 HG3 LYS 44 -4.130 10.266 -0.199 362 1HD LYS 44 HD2 LYS 44 -1.692 10.204 0.030 363 2HD LYS 44 HD3 LYS 44 -1.523 10.862 -1.600 364 1HE LYS 44 HE2 LYS 44 -1.259 12.612 0.070 365 2HE LYS 44 HE3 LYS 44 -2.701 12.888 -0.907 366 1HZ LYS 44 HZ3 LYS 44 -2.664 11.694 1.812 367 2HZ LYS 44 HZ2 LYS 44 -3.133 13.275 1.436 368 3HZ LYS 44 HZ1 LYS 44 -4.045 11.966 0.874 369 H ASP 45 H ASP 45 -3.025 7.576 -3.765 370 HA ASP 45 HA ASP 45 -3.819 4.744 -3.732 371 1HB ASP 45 HB2 ASP 45 -3.987 6.609 -5.901 372 2HB ASP 45 HB3 ASP 45 -2.808 5.365 -6.299 373 H VAL 46 H VAL 46 -1.278 6.998 -4.776 374 HA VAL 46 HA VAL 46 0.750 5.066 -5.036 375 HB VAL 46 HB VAL 46 1.059 7.153 -6.129 376 1HG1 VAL 46 3HG1 VAL 46 -0.311 8.511 -4.603 377 2HG1 VAL 46 2HG1 VAL 46 1.002 8.485 -3.426 378 3HG1 VAL 46 1HG1 VAL 46 1.231 9.280 -4.983 379 1HG2 VAL 46 2HG2 VAL 46 3.109 6.088 -5.335 380 2HG2 VAL 46 1HG2 VAL 46 3.267 7.844 -5.357 381 3HG2 VAL 46 3HG2 VAL 46 3.005 7.002 -3.830 382 H LEU 47 H LEU 47 0.064 7.317 -2.376 383 HA LEU 47 HA LEU 47 0.445 7.204 -0.152 384 1HB LEU 47 HB2 LEU 47 1.602 4.469 -0.396 385 2HB LEU 47 HB3 LEU 47 0.685 5.171 0.917 386 HG LEU 47 HG LEU 47 -0.452 4.362 -1.758 387 1HD1 LEU 47 2HD1 LEU 47 -0.622 3.053 0.953 388 2HD1 LEU 47 1HD1 LEU 47 -1.582 2.592 -0.454 389 3HD1 LEU 47 3HD1 LEU 47 0.173 2.414 -0.487 390 1HD2 LEU 47 3HD2 LEU 47 -1.810 5.367 0.738 391 2HD2 LEU 47 2HD2 LEU 47 -1.654 6.236 -0.788 392 3HD2 LEU 47 1HD2 LEU 47 -2.625 4.766 -0.705 393 H SER 48 H SER 48 3.040 5.325 -1.677 394 HA SER 48 HA SER 48 5.170 5.980 -0.139 395 1HB SER 48 HB2 SER 48 6.554 5.418 -1.997 396 2HB SER 48 HB3 SER 48 5.101 4.437 -2.129 397 HG SER 48 HG SER 48 5.374 5.263 -4.123 398 H ASP 49 H ASP 49 7.110 7.360 -0.859 399 HA ASP 49 HA ASP 49 6.467 9.873 -2.122 400 1HB ASP 49 HB2 ASP 49 6.966 9.697 0.843 401 2HB ASP 49 HB3 ASP 49 7.283 11.171 -0.068 402 H GLU 50 H GLU 50 8.875 9.378 0.390 403 HA GLU 50 HA GLU 50 10.975 9.306 -1.666 404 1HB GLU 50 HB2 GLU 50 12.311 10.824 -0.310 405 2HB GLU 50 HB3 GLU 50 10.761 11.557 -0.707 406 1HG GLU 50 HG2 GLU 50 9.913 11.035 1.500 407 2HG GLU 50 HG3 GLU 50 11.432 10.241 1.914 408 H ILE 51 H ILE 51 9.943 8.459 1.574 409 HA ILE 51 HA ILE 51 12.311 7.118 2.374 410 HB ILE 51 HB ILE 51 9.515 6.588 3.369 411 1HG1 ILE 51 2HG1 ILE 51 10.066 9.015 3.358 412 2HG1 ILE 51 3HG1 ILE 51 9.841 8.358 4.972 413 1HG2 ILE 51 3HG2 ILE 51 12.238 6.224 4.602 414 2HG2 ILE 51 2HG2 ILE 51 10.719 6.073 5.487 415 3HG2 ILE 51 1HG2 ILE 51 11.083 4.966 4.164 416 1HD1 ILE 51 3HD1 ILE 51 12.499 8.862 3.658 417 2HD1 ILE 51 2HD1 ILE 51 11.727 9.911 4.848 418 3HD1 ILE 51 1HD1 ILE 51 12.239 8.285 5.304 419 H LEU 52 H LEU 52 9.172 5.541 2.008 420 HA LEU 52 HA LEU 52 10.537 3.236 0.801 421 1HB LEU 52 HB2 LEU 52 8.168 3.579 2.541 422 2HB LEU 52 HB3 LEU 52 8.060 2.318 1.330 423 HG LEU 52 HG LEU 52 10.325 2.506 3.296 424 1HD1 LEU 52 3HD1 LEU 52 7.781 0.905 3.501 425 2HD1 LEU 52 2HD1 LEU 52 9.177 0.756 4.569 426 3HD1 LEU 52 1HD1 LEU 52 8.250 2.257 4.532 427 1HD2 LEU 52 3HD2 LEU 52 10.682 1.213 1.209 428 2HD2 LEU 52 2HD2 LEU 52 10.765 0.233 2.672 429 3HD2 LEU 52 1HD2 LEU 52 9.321 0.188 1.660 430 H GLU 53 H GLU 53 10.386 3.048 -1.353 431 HA GLU 53 HA GLU 53 8.474 4.452 -2.910 432 1HB GLU 53 HB2 GLU 53 10.719 2.649 -3.379 433 2HB GLU 53 HB3 GLU 53 9.401 2.385 -4.511 434 1HG GLU 53 HG2 GLU 53 10.130 5.185 -4.066 435 2HG GLU 53 HG3 GLU 53 11.366 4.193 -4.835 436 H VAL 54 H VAL 54 6.689 3.584 -1.452 437 HA VAL 54 HA VAL 54 5.808 0.898 -1.871 438 HB VAL 54 HB VAL 54 4.182 3.173 -0.754 439 1HG1 VAL 54 3HG1 VAL 54 2.940 1.157 -1.341 440 2HG1 VAL 54 2HG1 VAL 54 4.033 0.189 -0.350 441 3HG1 VAL 54 1HG1 VAL 54 2.987 1.389 0.407 442 1HG2 VAL 54 3HG2 VAL 54 6.251 1.443 0.565 443 2HG2 VAL 54 2HG2 VAL 54 6.119 3.200 0.571 444 3HG2 VAL 54 1HG2 VAL 54 4.963 2.227 1.478 445 H VAL 55 H VAL 55 5.668 0.832 -4.180 446 HA VAL 55 HA VAL 55 3.780 2.517 -5.532 447 HB VAL 55 HB VAL 55 4.954 -0.073 -6.523 448 1HG1 VAL 55 2HG1 VAL 55 2.943 0.984 -7.665 449 2HG1 VAL 55 1HG1 VAL 55 4.031 2.290 -8.133 450 3HG1 VAL 55 3HG1 VAL 55 4.344 0.643 -8.683 451 1HG2 VAL 55 2HG2 VAL 55 6.040 2.730 -6.793 452 2HG2 VAL 55 1HG2 VAL 55 6.760 1.417 -5.863 453 3HG2 VAL 55 3HG2 VAL 55 6.673 1.307 -7.622 454 H CYS 56 H CYS 56 1.997 2.159 -4.197 455 HA CYS 56 HA CYS 56 0.810 -0.488 -4.105 456 1HB CYS 56 HB2 CYS 56 0.767 0.809 -2.059 457 2HB CYS 56 HB3 CYS 56 -0.052 2.135 -2.878 458 HG CYS 56 HG CYS 56 -2.412 0.686 -3.323 459 H LYS 57 H LYS 57 -1.006 -1.111 -5.106 460 HA LYS 57 HA LYS 57 -2.413 0.827 -6.796 461 1HB LYS 57 HB2 LYS 57 -1.816 -1.976 -7.699 462 2HB LYS 57 HB3 LYS 57 -2.449 -0.645 -8.652 463 1HG LYS 57 HG2 LYS 57 -0.306 0.512 -8.473 464 2HG LYS 57 HG3 LYS 57 0.335 -0.828 -7.519 465 1HD LYS 57 HD2 LYS 57 -0.021 -2.344 -9.405 466 2HD LYS 57 HD3 LYS 57 -0.667 -1.006 -10.360 467 1HE LYS 57 HE2 LYS 57 1.482 0.149 -10.196 468 2HE LYS 57 HE3 LYS 57 2.128 -1.184 -9.239 469 1HZ LYS 57 HZ1 LYS 57 1.789 -2.654 -11.128 470 2HZ LYS 57 HZ3 LYS 57 1.171 -1.373 -12.045 471 3HZ LYS 57 HZ2 LYS 57 2.790 -1.358 -11.552 472 H TYR 58 H TYR 58 -4.307 0.922 -5.825 473 HA TYR 58 HA TYR 58 -5.515 -1.412 -4.614 474 1HB TYR 58 HB2 TYR 58 -5.639 0.886 -3.574 475 2HB TYR 58 HB3 TYR 58 -6.687 1.368 -4.904 476 HD1 TYR 58 HD1 TYR 58 -7.008 1.023 -1.681 477 HD2 TYR 58 HD2 TYR 58 -8.420 -1.046 -5.145 478 HE1 TYR 58 HE1 TYR 58 -8.989 0.239 -0.443 479 HE2 TYR 58 HE2 TYR 58 -10.369 -1.842 -3.904 480 HH TYR 58 HH TYR 58 -11.266 -0.549 -0.891 481 H THR 59 H THR 59 -6.599 -2.810 -5.800 482 HA THR 59 HA THR 59 -8.095 -1.830 -8.146 483 HB THR 59 HB THR 59 -7.002 -4.623 -7.756 484 HG1 THR 59 HG1 THR 59 -5.488 -3.899 -9.421 485 1HG2 THR 59 3HG2 THR 59 -8.956 -4.485 -9.226 486 2HG2 THR 59 2HG2 THR 59 -8.156 -3.237 -10.181 487 3HG2 THR 59 1HG2 THR 59 -7.501 -4.874 -10.142 488 HA PRO 60 HA PRO 60 -11.492 -3.634 -5.823 489 1HB PRO 60 HB2 PRO 60 -13.380 -2.016 -6.748 490 2HB PRO 60 HB3 PRO 60 -12.111 -1.390 -5.695 491 1HG PRO 60 HG2 PRO 60 -12.490 -1.047 -8.617 492 2HG PRO 60 HG3 PRO 60 -11.703 0.030 -7.452 493 1HD PRO 60 HD2 PRO 60 -10.481 -1.870 -9.208 494 2HD PRO 60 HD3 PRO 60 -9.691 -0.810 -8.023 495 H THR 61 H THR 61 -10.532 -4.987 -8.178 496 HA THR 61 HA THR 61 -12.109 -5.383 -10.321 497 HB THR 61 HB THR 61 -11.348 -7.896 -8.931 498 HG1 THR 61 HG1 THR 61 -9.224 -7.453 -8.914 499 1HG2 THR 61 3HG2 THR 61 -10.920 -6.759 -11.691 500 2HG2 THR 61 2HG2 THR 61 -10.295 -8.322 -11.163 501 3HG2 THR 61 1HG2 THR 61 -12.035 -8.042 -11.222 502 HA PRO 62 HA PRO 62 -16.273 -6.342 -9.170 503 1HB PRO 62 HB2 PRO 62 -16.013 -8.426 -11.297 504 2HB PRO 62 HB3 PRO 62 -17.285 -7.224 -11.050 505 1HG PRO 62 HG2 PRO 62 -15.445 -6.865 -12.934 506 2HG PRO 62 HG3 PRO 62 -16.010 -5.501 -11.951 507 1HD PRO 62 HD2 PRO 62 -13.441 -7.001 -11.810 508 2HD PRO 62 HD3 PRO 62 -13.769 -5.285 -11.496 509 H SER 63 H SER 63 -17.009 -7.548 -7.556 510 HA SER 63 HA SER 63 -15.554 -9.768 -6.545 511 1HB SER 63 HB2 SER 63 -16.810 -8.274 -5.067 512 2HB SER 63 HB3 SER 63 -18.322 -8.763 -5.833 513 HG SER 63 HG SER 63 -16.830 -10.038 -3.923 514 H SER 64 H SER 64 -16.830 -11.836 -5.929 515 HA SER 64 HA SER 64 -17.995 -12.880 -8.412 516 1HB SER 64 HB2 SER 64 -15.998 -14.045 -7.566 517 2HB SER 64 HB3 SER 64 -16.829 -14.366 -6.045 518 HG SER 64 HG SER 64 -17.274 -16.157 -7.121 519 H THR 65 H THR 65 -19.234 -11.414 -5.937 520 HA THR 65 HA THR 65 -20.985 -13.141 -4.627 521 HB THR 65 HB THR 65 -22.411 -11.139 -4.234 522 HG1 THR 65 HG1 THR 65 -22.031 -10.081 -6.238 523 1HG2 THR 65 3HG2 THR 65 -19.445 -10.707 -3.856 524 2HG2 THR 65 2HG2 THR 65 -20.722 -9.850 -2.995 525 3HG2 THR 65 1HG2 THR 65 -20.517 -11.586 -2.766 526 HA PRO 66 HA PRO 66 -24.034 -14.182 -7.649 527 1HB PRO 66 HB2 PRO 66 -26.218 -14.581 -6.142 528 2HB PRO 66 HB3 PRO 66 -24.809 -15.645 -6.018 529 1HG PRO 66 HG2 PRO 66 -25.567 -13.304 -4.289 530 2HG PRO 66 HG3 PRO 66 -25.073 -14.936 -3.790 531 1HD PRO 66 HD2 PRO 66 -23.352 -12.852 -3.831 532 2HD PRO 66 HD3 PRO 66 -22.835 -14.509 -4.205 533 H MET 67 H MET 67 -23.836 -11.265 -6.445 534 HA MET 67 HA MET 67 -26.201 -10.299 -7.885 535 1HB MET 67 HB2 MET 67 -26.335 -8.450 -6.133 536 2HB MET 67 HB3 MET 67 -26.882 -10.047 -5.644 537 1HG MET 67 HG2 MET 67 -24.750 -10.437 -4.520 538 2HG MET 67 HG3 MET 67 -24.202 -8.833 -5.009 539 1HE MET 67 HE3 MET 67 -24.158 -9.861 -1.991 540 2HE MET 67 HE2 MET 67 -23.617 -8.254 -2.476 541 3HE MET 67 HE1 MET 67 -24.762 -8.436 -1.147 542 H VAL 68 H VAL 68 -24.712 -7.743 -6.383 543 HA VAL 68 HA VAL 68 -22.844 -7.313 -8.615 544 HB VAL 68 HB VAL 68 -24.680 -5.214 -7.449 545 1HG1 VAL 68 2HG1 VAL 68 -22.711 -5.079 -9.730 546 2HG1 VAL 68 1HG1 VAL 68 -23.826 -3.796 -9.263 547 3HG1 VAL 68 3HG1 VAL 68 -22.543 -4.296 -8.160 548 1HG2 VAL 68 2HG2 VAL 68 -25.915 -6.800 -8.820 549 2HG2 VAL 68 1HG2 VAL 68 -25.784 -5.243 -9.639 550 3HG2 VAL 68 3HG2 VAL 68 -24.757 -6.590 -10.133 551 H GLY 69 H GLY 69 -20.847 -6.913 -7.931 552 1HA GLY 69 HA3 GLY 69 -19.795 -6.955 -5.500 553 2HA GLY 69 HA2 GLY 69 -20.428 -5.316 -5.525 554 H VAL 70 H VAL 70 -18.357 -4.429 -5.325 555 HA VAL 70 HA VAL 70 -16.557 -4.828 -7.615 556 HB VAL 70 HB VAL 70 -17.236 -2.127 -6.436 557 1HG1 VAL 70 3HG1 VAL 70 -14.942 -2.298 -7.282 558 2HG1 VAL 70 2HG1 VAL 70 -15.558 -2.862 -8.834 559 3HG1 VAL 70 1HG1 VAL 70 -15.923 -1.228 -8.283 560 1HG2 VAL 70 2HG2 VAL 70 -19.109 -3.035 -7.718 561 2HG2 VAL 70 1HG2 VAL 70 -18.366 -1.669 -8.550 562 3HG2 VAL 70 3HG2 VAL 70 -18.037 -3.315 -9.090 563 H GLY 71 H GLY 71 -15.507 -6.211 -5.978 564 1HA GLY 71 HA3 GLY 71 -14.496 -5.993 -3.633 565 2HA GLY 71 HA2 GLY 71 -13.683 -4.598 -4.323 566 H GLY 72 H GLY 72 -11.680 -4.952 -4.982 567 1HA GLY 72 HA3 GLY 72 -10.152 -6.100 -6.449 568 2HA GLY 72 HA2 GLY 72 -10.998 -7.595 -6.091 569 H ILE 73 H ILE 73 -8.250 -5.916 -5.523 570 HA ILE 73 HA ILE 73 -7.874 -6.883 -2.801 571 HB ILE 73 HB ILE 73 -5.705 -7.875 -3.348 572 1HG1 ILE 73 2HG1 ILE 73 -6.403 -7.975 -6.240 573 2HG1 ILE 73 3HG1 ILE 73 -5.628 -6.529 -5.595 574 1HG2 ILE 73 1HG2 ILE 73 -7.755 -9.246 -3.179 575 2HG2 ILE 73 3HG2 ILE 73 -7.879 -9.188 -4.938 576 3HG2 ILE 73 2HG2 ILE 73 -6.482 -9.955 -4.174 577 1HD1 ILE 73 1HD1 ILE 73 -3.802 -7.931 -4.726 578 2HD1 ILE 73 3HD1 ILE 73 -4.564 -9.339 -5.467 579 3HD1 ILE 73 2HD1 ILE 73 -3.965 -8.026 -6.482 580 H TYR 74 H TYR 74 -5.135 -6.447 -2.646 581 HA TYR 74 HA TYR 74 -4.758 -3.646 -3.406 582 1HB TYR 74 HB2 TYR 74 -4.000 -4.536 -0.645 583 2HB TYR 74 HB3 TYR 74 -4.341 -2.912 -1.235 584 HD1 TYR 74 HD1 TYR 74 -6.562 -2.025 -1.184 585 HD2 TYR 74 HD2 TYR 74 -5.889 -6.107 -0.195 586 HE1 TYR 74 HE1 TYR 74 -8.855 -2.202 -0.313 587 HE2 TYR 74 HE2 TYR 74 -8.175 -6.283 0.667 588 HH TYR 74 HH TYR 74 -10.544 -3.931 0.097 589 H VAL 75 H VAL 75 -3.097 -4.039 -4.821 590 HA VAL 75 HA VAL 75 -0.920 -5.802 -4.075 591 HB VAL 75 HB VAL 75 -1.316 -4.155 -6.580 592 1HG1 VAL 75 2HG1 VAL 75 1.046 -4.626 -6.097 593 2HG1 VAL 75 1HG1 VAL 75 0.676 -6.348 -6.015 594 3HG1 VAL 75 3HG1 VAL 75 0.483 -5.474 -7.535 595 1HG2 VAL 75 1HG2 VAL 75 -2.994 -5.918 -6.301 596 2HG2 VAL 75 3HG2 VAL 75 -1.902 -6.266 -7.642 597 3HG2 VAL 75 2HG2 VAL 75 -1.705 -7.106 -6.105 598 H VAL 76 H VAL 76 0.471 -4.967 -2.657 599 HA VAL 76 HA VAL 76 1.292 -2.159 -2.990 600 HB VAL 76 HB VAL 76 1.513 -3.867 -0.514 601 1HG1 VAL 76 2HG1 VAL 76 1.946 -0.915 -0.962 602 2HG1 VAL 76 1HG1 VAL 76 1.955 -1.719 0.608 603 3HG1 VAL 76 3HG1 VAL 76 3.184 -2.114 -0.593 604 1HG2 VAL 76 1HG2 VAL 76 -0.821 -3.453 -1.082 605 2HG2 VAL 76 3HG2 VAL 76 -0.355 -2.538 0.350 606 3HG2 VAL 76 2HG2 VAL 76 -0.497 -1.725 -1.208 607 H LEU 77 H LEU 77 3.159 -2.022 -4.098 608 HA LEU 77 HA LEU 77 5.295 -3.945 -3.628 609 1HB LEU 77 HB2 LEU 77 5.043 -1.626 -5.543 610 2HB LEU 77 HB3 LEU 77 6.436 -2.686 -5.457 611 HG LEU 77 HG LEU 77 5.018 -3.301 -7.309 612 1HD1 LEU 77 3HD1 LEU 77 5.327 -5.136 -5.010 613 2HD1 LEU 77 2HD1 LEU 77 4.324 -5.678 -6.360 614 3HD1 LEU 77 1HD1 LEU 77 6.008 -5.231 -6.635 615 1HD2 LEU 77 1HD2 LEU 77 2.905 -2.417 -6.478 616 2HD2 LEU 77 3HD2 LEU 77 2.751 -4.076 -7.050 617 3HD2 LEU 77 2HD2 LEU 77 2.817 -3.744 -5.320 618 H VAL 78 H VAL 78 6.434 -3.508 -1.804 619 HA VAL 78 HA VAL 78 6.988 -0.697 -1.172 620 HB VAL 78 HB VAL 78 7.989 -2.564 0.792 621 1HG1 VAL 78 3HG1 VAL 78 5.877 -0.395 0.874 622 2HG1 VAL 78 2HG1 VAL 78 6.577 -1.191 2.287 623 3HG1 VAL 78 1HG1 VAL 78 7.596 -0.204 1.239 624 1HG2 VAL 78 2HG2 VAL 78 6.215 -4.016 -0.067 625 2HG2 VAL 78 1HG2 VAL 78 5.862 -3.456 1.567 626 3HG2 VAL 78 3HG2 VAL 78 5.041 -2.725 0.188 627 H LYS 79 H LYS 79 8.737 0.013 -2.186 628 HA LYS 79 HA LYS 79 11.139 -1.687 -2.245 629 1HB LYS 79 HB2 LYS 79 10.087 0.423 -4.093 630 2HB LYS 79 HB3 LYS 79 11.813 0.097 -4.041 631 1HG LYS 79 HG2 LYS 79 11.415 -2.223 -4.634 632 2HG LYS 79 HG3 LYS 79 9.665 -1.934 -4.648 633 1HD LYS 79 HD2 LYS 79 11.619 -0.449 -6.403 634 2HD LYS 79 HD3 LYS 79 10.781 -1.919 -6.904 635 1HE LYS 79 HE2 LYS 79 9.465 0.654 -6.043 636 2HE LYS 79 HE3 LYS 79 9.639 0.091 -7.706 637 1HZ LYS 79 HZ3 LYS 79 8.293 -1.846 -7.139 638 2HZ LYS 79 HZ2 LYS 79 8.102 -1.271 -5.560 639 3HZ LYS 79 HZ1 LYS 79 7.446 -0.408 -6.858 640 HA PRO 80 HA PRO 80 12.429 1.304 0.952 641 1HB PRO 80 HB2 PRO 80 14.927 0.092 1.194 642 2HB PRO 80 HB3 PRO 80 13.503 -0.272 2.171 643 1HG PRO 80 HG2 PRO 80 14.599 -1.711 -0.195 644 2HG PRO 80 HG3 PRO 80 13.810 -2.362 1.252 645 1HD PRO 80 HD2 PRO 80 12.526 -2.196 -1.099 646 2HD PRO 80 HD3 PRO 80 11.686 -1.933 0.443 647 H ARG 81 H ARG 81 12.878 3.226 0.072 648 HA ARG 81 HA ARG 81 14.729 3.511 -2.113 649 1HB ARG 81 HB2 ARG 81 12.711 5.148 -0.814 650 2HB ARG 81 HB3 ARG 81 14.168 6.060 -1.176 651 1HG ARG 81 HG2 ARG 81 14.014 5.438 -3.507 652 2HG ARG 81 HG3 ARG 81 12.604 4.431 -3.164 653 1HD ARG 81 HD2 ARG 81 11.313 6.343 -2.529 654 2HD ARG 81 HD3 ARG 81 12.726 7.394 -2.633 655 HE ARG 81 HE ARG 81 12.075 6.056 -5.098 656 1HH1 ARG 81 1HH1 ARG 81 11.506 8.859 -3.110 657 2HH1 ARG 81 2HH1 ARG 81 10.989 9.851 -4.432 658 1HH2 ARG 81 1HH2 ARG 81 11.397 7.355 -6.844 659 2HH2 ARG 81 2HH2 ARG 81 10.926 8.995 -6.554 660 H LYS 82 H LYS 82 14.581 4.824 1.200 661 HA LYS 82 HA LYS 82 17.433 5.465 1.041 662 1HB LYS 82 HB2 LYS 82 15.434 6.233 3.172 663 2HB LYS 82 HB3 LYS 82 17.068 6.855 2.997 664 1HG LYS 82 HG2 LYS 82 16.405 7.816 0.804 665 2HG LYS 82 HG3 LYS 82 14.748 7.303 1.135 666 1HD LYS 82 HD2 LYS 82 14.703 8.688 3.139 667 2HD LYS 82 HD3 LYS 82 16.373 9.179 2.849 668 1HE LYS 82 HE2 LYS 82 14.020 9.729 1.044 669 2HE LYS 82 HE3 LYS 82 14.810 10.897 2.103 670 1HZ LYS 82 HZ2 LYS 82 16.089 9.503 -0.187 671 2HZ LYS 82 HZ1 LYS 82 15.571 11.113 -0.177 672 3HZ LYS 82 HZ3 LYS 82 16.843 10.627 0.828 673 H ARG 83 H ARG 83 18.797 5.029 2.918 674 HA ARG 83 HA ARG 83 18.263 2.368 3.991 675 1HB ARG 83 HB2 ARG 83 20.785 3.968 4.361 676 2HB ARG 83 HB3 ARG 83 20.580 2.223 4.424 677 1HG ARG 83 HG2 ARG 83 20.411 2.038 2.104 678 2HG ARG 83 HG3 ARG 83 20.084 3.761 1.901 679 1HD ARG 83 HD2 ARG 83 22.687 2.503 2.747 680 2HD ARG 83 HD3 ARG 83 22.338 3.272 1.200 681 HE ARG 83 HE ARG 83 21.840 5.162 3.161 682 1HH1 ARG 83 1HH1 ARG 83 24.557 3.326 1.981 683 2HH1 ARG 83 2HH1 ARG 83 25.722 4.540 2.397 684 1HH2 ARG 83 1HH2 ARG 83 23.366 6.764 3.712 685 2HH2 ARG 83 2HH2 ARG 83 25.045 6.493 3.380 686 H GLY 84 H GLY 84 18.106 1.911 6.160 687 1HA GLY 84 HA3 GLY 84 17.645 4.231 7.898 688 2HA GLY 84 HA2 GLY 84 18.801 3.016 8.419 689 H HIS 85 H HIS 85 15.675 4.014 8.700 690 HA HIS 85 HA HIS 85 14.682 1.305 9.277 691 1HB HIS 85 HB2 HIS 85 14.333 3.746 11.029 692 2HB HIS 85 HB3 HIS 85 13.591 2.174 11.311 693 HD1 HIS 85 HD1 HIS 85 16.657 4.090 11.909 694 HD2 HIS 85 HD2 HIS 85 15.490 0.103 11.992 695 HE1 HIS 85 HE1 HIS 85 18.460 2.889 13.186 696 HE2 HIS 85 HE2 HIS 85 17.772 0.465 13.155 697 H HIS 86 H HIS 86 13.269 1.101 7.625 698 HA HIS 86 HA HIS 86 11.270 3.228 7.250 699 1HB HIS 86 HB2 HIS 86 12.139 1.007 5.385 700 2HB HIS 86 HB3 HIS 86 10.837 2.145 5.049 701 HD1 HIS 86 HD1 HIS 86 13.626 3.773 6.724 702 HD2 HIS 86 HD2 HIS 86 12.578 2.846 2.812 703 HE1 HIS 86 HE1 HIS 86 15.078 5.227 5.277 704 HE2 HIS 86 HE2 HIS 86 14.371 4.705 2.916 705 H THR 87 H THR 87 9.048 2.431 6.646 706 HA THR 87 HA THR 87 8.327 -0.207 7.567 707 HB THR 87 HB THR 87 7.371 2.210 9.109 708 HG1 THR 87 HG1 THR 87 8.514 1.257 10.815 709 1HG2 THR 87 2HG2 THR 87 5.604 0.533 8.788 710 2HG2 THR 87 1HG2 THR 87 6.672 -0.709 9.443 711 3HG2 THR 87 3HG2 THR 87 6.126 0.617 10.471 712 H LEU 88 H LEU 88 6.222 -0.819 7.044 713 HA LEU 88 HA LEU 88 4.722 1.067 5.350 714 1HB LEU 88 HB2 LEU 88 5.722 -0.579 3.921 715 2HB LEU 88 HB3 LEU 88 5.205 -1.884 4.970 716 HG LEU 88 HG LEU 88 2.803 -1.094 4.399 717 1HD1 LEU 88 3HD1 LEU 88 3.438 1.006 3.352 718 2HD1 LEU 88 2HD1 LEU 88 4.347 0.128 2.120 719 3HD1 LEU 88 1HD1 LEU 88 2.594 -0.041 2.210 720 1HD2 LEU 88 2HD2 LEU 88 4.588 -2.454 2.397 721 2HD2 LEU 88 1HD2 LEU 88 3.654 -3.218 3.679 722 3HD2 LEU 88 3HD2 LEU 88 2.827 -2.449 2.323 723 H GLU 89 H GLU 89 3.369 1.640 7.109 724 HA GLU 89 HA GLU 89 1.912 -0.475 8.457 725 1HB GLU 89 HB2 GLU 89 1.009 2.261 8.939 726 2HB GLU 89 HB3 GLU 89 1.488 1.014 10.078 727 1HG GLU 89 HG2 GLU 89 3.847 1.530 9.604 728 2HG GLU 89 HG3 GLU 89 3.316 2.825 8.531 729 H LEU 90 H LEU 90 0.595 -1.397 6.952 730 HA LEU 90 HA LEU 90 -1.246 0.305 5.463 731 1HB LEU 90 HB2 LEU 90 -0.702 -2.657 5.407 732 2HB LEU 90 HB3 LEU 90 -2.012 -1.917 4.506 733 HG LEU 90 HG LEU 90 0.918 -1.270 4.158 734 1HD1 LEU 90 2HD1 LEU 90 -0.951 -2.886 2.433 735 2HD1 LEU 90 1HD1 LEU 90 0.707 -2.442 2.024 736 3HD1 LEU 90 3HD1 LEU 90 0.391 -3.516 3.388 737 1HD2 LEU 90 1HD2 LEU 90 -1.539 -0.347 2.672 738 2HD2 LEU 90 3HD2 LEU 90 -0.440 0.646 3.633 739 3HD2 LEU 90 2HD2 LEU 90 0.120 -0.087 2.129 740 H VAL 91 H VAL 91 -2.772 1.066 6.798 741 HA VAL 91 HA VAL 91 -4.044 -0.700 8.747 742 HB VAL 91 HB VAL 91 -5.289 1.865 8.673 743 1HG1 VAL 91 2HG1 VAL 91 -3.467 0.490 10.627 744 2HG1 VAL 91 1HG1 VAL 91 -4.253 2.033 10.956 745 3HG1 VAL 91 3HG1 VAL 91 -5.228 0.593 10.667 746 1HG2 VAL 91 2HG2 VAL 91 -3.294 2.652 7.499 747 2HG2 VAL 91 1HG2 VAL 91 -3.415 3.340 9.118 748 3HG2 VAL 91 3HG2 VAL 91 -2.282 2.024 8.805 749 H TYR 92 H TYR 92 -6.254 -1.069 8.839 750 HA TYR 92 HA TYR 92 -7.677 -0.931 6.299 751 1HB TYR 92 HB2 TYR 92 -7.586 -2.975 7.922 752 2HB TYR 92 HB3 TYR 92 -8.764 -2.076 8.870 753 HD1 TYR 92 HD1 TYR 92 -10.693 -3.374 8.671 754 HD2 TYR 92 HD2 TYR 92 -8.529 -2.322 5.161 755 HE1 TYR 92 HE1 TYR 92 -12.503 -4.296 7.285 756 HE2 TYR 92 HE2 TYR 92 -10.334 -3.238 3.767 757 HH TYR 92 HH TYR 92 -13.388 -4.059 5.015 758 H THR 93 H THR 93 -7.776 1.398 6.382 759 HA THR 93 HA THR 93 -9.433 2.591 8.483 760 HB THR 93 HB THR 93 -7.391 3.751 8.131 761 HG1 THR 93 HG1 THR 93 -8.232 5.803 7.294 762 1HG2 THR 93 1HG2 THR 93 -8.129 3.861 5.204 763 2HG2 THR 93 3HG2 THR 93 -6.730 4.644 5.939 764 3HG2 THR 93 2HG2 THR 93 -6.844 2.885 5.918 765 H ARG 94 H ARG 94 -10.798 4.484 7.734 766 HA ARG 94 HA ARG 94 -12.486 3.602 5.499 767 1HB ARG 94 HB2 ARG 94 -13.122 5.518 7.749 768 2HB ARG 94 HB3 ARG 94 -14.249 4.962 6.518 769 1HG ARG 94 HG2 ARG 94 -14.010 2.667 7.362 770 2HG ARG 94 HG3 ARG 94 -12.935 3.265 8.627 771 1HD ARG 94 HD2 ARG 94 -15.186 2.984 9.491 772 2HD ARG 94 HD3 ARG 94 -14.736 4.689 9.480 773 HE ARG 94 HE ARG 94 -16.049 4.207 7.093 774 1HH1 ARG 94 1HH1 ARG 94 -16.776 4.054 10.499 775 2HH1 ARG 94 2HH1 ARG 94 -18.457 4.409 10.286 776 1HH2 ARG 94 1HH2 ARG 94 -18.263 4.674 6.806 777 2HH2 ARG 94 2HH2 ARG 94 -19.303 4.761 8.188 778 HA PRO 95 HA PRO 95 -10.226 7.006 3.374 779 1HB PRO 95 HB2 PRO 95 -12.307 6.038 1.443 780 2HB PRO 95 HB3 PRO 95 -10.640 6.536 1.134 781 1HG PRO 95 HG2 PRO 95 -11.230 3.957 1.260 782 2HG PRO 95 HG3 PRO 95 -9.757 4.568 2.033 783 1HD PRO 95 HD2 PRO 95 -12.327 3.706 3.270 784 2HD PRO 95 HD3 PRO 95 -10.672 3.575 3.892 785 H PHE 96 H PHE 96 -13.664 6.497 3.858 786 HA PHE 96 HA PHE 96 -14.350 9.204 3.148 787 1HB PHE 96 HB2 PHE 96 -16.393 7.706 4.583 788 2HB PHE 96 HB3 PHE 96 -16.426 8.400 2.971 789 HD1 PHE 96 HD1 PHE 96 -16.278 5.399 4.857 790 HD2 PHE 96 HD2 PHE 96 -15.300 7.110 1.085 791 HE1 PHE 96 HE1 PHE 96 -16.164 3.148 3.871 792 HE2 PHE 96 HE2 PHE 96 -15.183 4.862 0.092 793 HZ PHE 96 HZ PHE 96 -15.617 2.877 1.485 794 H GLU 97 H GLU 97 -13.937 7.298 6.094 795 HA GLU 97 HA GLU 97 -14.570 9.675 7.699 796 1HB GLU 97 HB2 GLU 97 -14.328 6.777 8.521 797 2HB GLU 97 HB3 GLU 97 -14.691 8.103 9.616 798 1HG GLU 97 HG2 GLU 97 -16.380 7.226 7.284 799 2HG GLU 97 HG3 GLU 97 -16.698 6.881 8.983 800 H GLY 98 H GLY 98 -12.564 7.043 8.836 801 1HA GLY 98 HA3 GLY 98 -10.665 8.580 10.093 802 2HA GLY 98 HA2 GLY 98 -10.052 8.376 8.457 803 H ILE 99 H ILE 99 -8.423 7.425 10.167 804 HA ILE 99 HA ILE 99 -8.569 4.581 9.762 805 HB ILE 99 HB ILE 99 -6.360 6.097 11.096 806 1HG1 ILE 99 2HG1 ILE 99 -6.416 5.386 8.180 807 2HG1 ILE 99 3HG1 ILE 99 -7.108 6.909 8.742 808 1HG2 ILE 99 1HG2 ILE 99 -6.653 3.391 9.837 809 2HG2 ILE 99 3HG2 ILE 99 -5.071 4.145 10.061 810 3HG2 ILE 99 2HG2 ILE 99 -6.094 3.806 11.460 811 1HD1 ILE 99 1HD1 ILE 99 -4.256 6.000 9.121 812 2HD1 ILE 99 3HD1 ILE 99 -4.824 7.191 7.951 813 3HD1 ILE 99 2HD1 ILE 99 -4.938 7.528 9.679 814 H LYS 100 H LYS 100 -7.343 6.268 12.567 815 HA LYS 100 HA LYS 100 -7.683 6.022 14.801 816 1HB LYS 100 HB2 LYS 100 -10.124 4.422 14.021 817 2HB LYS 100 HB3 LYS 100 -9.781 5.090 15.611 818 1HG LYS 100 HG2 LYS 100 -10.900 6.903 15.002 819 2HG LYS 100 HG3 LYS 100 -9.584 7.249 13.878 820 1HD LYS 100 HD2 LYS 100 -11.607 7.318 12.629 821 2HD LYS 100 HD3 LYS 100 -10.771 5.829 12.189 822 1HE LYS 100 HE2 LYS 100 -13.194 5.511 12.516 823 2HE LYS 100 HE3 LYS 100 -12.218 4.537 13.617 824 1HZ LYS 100 HZ1 LYS 100 -13.545 7.106 14.296 825 2HZ LYS 100 HZ3 LYS 100 -14.075 5.569 14.762 826 3HZ LYS 100 HZ2 LYS 100 -12.611 6.174 15.353 827 HA PRO 101 HA PRO 101 -5.623 2.290 15.837 828 1HB PRO 101 HB2 PRO 101 -6.399 1.891 18.421 829 2HB PRO 101 HB3 PRO 101 -5.230 3.118 17.929 830 1HG PRO 101 HG2 PRO 101 -8.143 3.414 18.535 831 2HG PRO 101 HG3 PRO 101 -6.791 4.468 18.991 832 1HD PRO 101 HD2 PRO 101 -8.442 5.047 16.937 833 2HD PRO 101 HD3 PRO 101 -6.724 5.490 16.926 834 H GLU 102 H GLU 102 -9.052 2.375 16.662 835 HA GLU 102 HA GLU 102 -9.507 -0.302 17.166 836 1HB GLU 102 HB2 GLU 102 -11.845 0.160 16.322 837 2HB GLU 102 HB3 GLU 102 -11.257 1.215 17.603 838 1HG GLU 102 HG2 GLU 102 -10.695 2.904 15.942 839 2HG GLU 102 HG3 GLU 102 -11.311 1.854 14.671 840 H ASN 103 H ASN 103 -8.630 1.166 14.214 841 HA ASN 103 HA ASN 103 -9.717 -0.942 12.545 842 1HB ASN 103 HB2 ASN 103 -8.027 1.486 11.958 843 2HB ASN 103 HB3 ASN 103 -8.456 0.301 10.729 844 1HD2 ASN 103 1HD2 ASN 103 -10.706 0.962 13.257 845 2HD2 ASN 103 2HD2 ASN 103 -11.818 1.885 12.313 846 H GLU 104 H GLU 104 -8.603 -2.582 11.592 847 HA GLU 104 HA GLU 104 -6.258 -3.534 12.800 848 1HB GLU 104 HB2 GLU 104 -8.019 -4.304 10.562 849 2HB GLU 104 HB3 GLU 104 -6.381 -4.923 10.499 850 1HG GLU 104 HG2 GLU 104 -7.692 -6.551 11.593 851 2HG GLU 104 HG3 GLU 104 -6.716 -5.772 12.831 852 H ARG 105 H ARG 105 -4.469 -4.349 11.014 853 HA ARG 105 HA ARG 105 -3.788 -2.364 9.074 854 1HB ARG 105 HB2 ARG 105 -1.708 -1.593 10.140 855 2HB ARG 105 HB3 ARG 105 -3.138 -1.114 11.043 856 1HG ARG 105 HG2 ARG 105 -1.977 -3.673 11.852 857 2HG ARG 105 HG3 ARG 105 -0.940 -2.264 12.142 858 1HD ARG 105 HD2 ARG 105 -2.137 -2.084 14.043 859 2HD ARG 105 HD3 ARG 105 -3.327 -1.322 12.985 860 HE ARG 105 HE ARG 105 -3.841 -4.041 12.921 861 1HH1 ARG 105 1HH1 ARG 105 -3.810 -1.489 15.293 862 2HH1 ARG 105 2HH1 ARG 105 -5.034 -2.216 16.280 863 1HH2 ARG 105 1HH2 ARG 105 -5.453 -5.005 14.215 864 2HH2 ARG 105 2HH2 ARG 105 -5.967 -4.216 15.669 865 H TYR 106 H TYR 106 -1.111 -2.656 8.948 866 HA TYR 106 HA TYR 106 -0.192 -5.343 9.139 867 1HB TYR 106 HB2 TYR 106 -1.682 -5.423 7.091 868 2HB TYR 106 HB3 TYR 106 -0.582 -4.279 6.330 869 HD1 TYR 106 HD1 TYR 106 -0.987 -7.696 7.590 870 HD2 TYR 106 HD2 TYR 106 1.567 -5.007 5.512 871 HE1 TYR 106 HE1 TYR 106 0.383 -9.586 6.847 872 HE2 TYR 106 HE2 TYR 106 2.951 -6.896 4.760 873 HH TYR 106 HH TYR 106 1.953 -10.129 5.035 874 H THR 107 H THR 107 1.099 -3.751 10.377 875 HA THR 107 HA THR 107 2.730 -1.850 9.047 876 HB THR 107 HB THR 107 3.605 -2.971 11.658 877 HG1 THR 107 HG1 THR 107 1.122 -1.690 11.177 878 1HG2 THR 107 1HG2 THR 107 3.205 -0.178 10.583 879 2HG2 THR 107 3HG2 THR 107 3.863 -0.572 12.170 880 3HG2 THR 107 2HG2 THR 107 4.737 -1.039 10.713 881 H LEU 108 H LEU 108 3.750 -2.939 7.360 882 HA LEU 108 HA LEU 108 5.514 -5.152 7.910 883 1HB LEU 108 HB2 LEU 108 4.442 -5.240 5.807 884 2HB LEU 108 HB3 LEU 108 4.836 -3.574 5.444 885 HG LEU 108 HG LEU 108 7.180 -4.157 5.132 886 1HD1 LEU 108 2HD1 LEU 108 7.262 -5.976 6.801 887 2HD1 LEU 108 1HD1 LEU 108 6.368 -7.004 5.680 888 3HD1 LEU 108 3HD1 LEU 108 7.977 -6.424 5.251 889 1HD2 LEU 108 1HD2 LEU 108 5.679 -4.318 3.220 890 2HD2 LEU 108 3HD2 LEU 108 6.964 -5.524 3.129 891 3HD2 LEU 108 2HD2 LEU 108 5.341 -6.001 3.624 892 H HIS 109 H HIS 109 7.083 -4.359 9.308 893 HA HIS 109 HA HIS 109 8.548 -1.986 8.671 894 1HB HIS 109 HB2 HIS 109 8.953 -4.083 10.751 895 2HB HIS 109 HB3 HIS 109 10.020 -2.705 10.573 896 HD1 HIS 109 HD1 HIS 109 9.365 -0.660 11.815 897 HD2 HIS 109 HD2 HIS 109 6.169 -3.274 11.306 898 HE1 HIS 109 HE1 HIS 109 7.459 0.356 13.098 899 HE2 HIS 109 HE2 HIS 109 5.567 -1.292 12.862 900 H LEU 110 H LEU 110 10.640 -1.832 7.982 901 HA LEU 110 HA LEU 110 11.971 -4.230 7.017 902 1HB LEU 110 HB2 LEU 110 11.130 -1.918 5.276 903 2HB LEU 110 HB3 LEU 110 12.319 -3.102 4.791 904 HG LEU 110 HG LEU 110 9.426 -3.688 5.433 905 1HD1 LEU 110 2HD1 LEU 110 9.691 -2.437 3.355 906 2HD1 LEU 110 1HD1 LEU 110 10.876 -3.615 2.790 907 3HD1 LEU 110 3HD1 LEU 110 9.198 -4.101 3.039 908 1HD2 LEU 110 3HD2 LEU 110 10.956 -5.546 5.966 909 2HD2 LEU 110 2HD2 LEU 110 9.869 -5.921 4.630 910 3HD2 LEU 110 1HD2 LEU 110 11.551 -5.505 4.307 911 H ASN 111 H ASN 111 13.630 -3.838 8.481 912 HA ASN 111 HA ASN 111 14.933 -1.354 8.804 913 1HB ASN 111 HB2 ASN 111 15.040 -3.483 10.289 914 2HB ASN 111 HB3 ASN 111 16.317 -3.997 9.195 915 1HD2 ASN 111 1HD2 ASN 111 17.208 -1.222 8.782 916 2HD2 ASN 111 2HD2 ASN 111 18.079 -0.800 10.211 917 H VAL 112 H VAL 112 15.265 -0.564 6.711 918 HA VAL 112 HA VAL 112 16.590 -1.935 4.651 919 HB VAL 112 HB VAL 112 16.651 1.057 4.988 920 1HG1 VAL 112 1HG1 VAL 112 17.926 0.077 3.124 921 2HG1 VAL 112 3HG1 VAL 112 16.448 -0.686 2.536 922 3HG1 VAL 112 2HG1 VAL 112 16.580 1.072 2.565 923 1HG2 VAL 112 1HG2 VAL 112 14.360 -0.653 4.028 924 2HG2 VAL 112 3HG2 VAL 112 14.382 0.388 5.451 925 3HG2 VAL 112 2HG2 VAL 112 14.459 1.097 3.839 926 H LYS 113 H LYS 113 18.614 -2.646 4.660 927 HA LYS 113 HA LYS 113 20.624 -1.373 6.326 928 1HB LYS 113 HB2 LYS 113 20.624 -3.885 4.656 929 2HB LYS 113 HB3 LYS 113 22.042 -3.302 5.516 930 1HG LYS 113 HG2 LYS 113 19.447 -3.814 6.924 931 2HG LYS 113 HG3 LYS 113 20.626 -5.095 6.639 932 1HD LYS 113 HD2 LYS 113 22.312 -3.868 7.868 933 2HD LYS 113 HD3 LYS 113 21.211 -2.503 8.070 934 1HE LYS 113 HE2 LYS 113 20.744 -5.277 9.156 935 2HE LYS 113 HE3 LYS 113 21.381 -3.922 10.088 936 1HZ LYS 113 HZ3 LYS 113 19.326 -2.718 9.668 937 2HZ LYS 113 HZ2 LYS 113 18.715 -4.024 8.783 938 3HZ LYS 113 HZ1 LYS 113 19.012 -4.192 10.439 No H/Q in entry = 938 Start of MODEL 21 1 H1 GLY -2 HT1 GLY -2 -3.725 -19.057 27.162 2 H2 GLY -2 HT3 GLY -2 -4.473 -20.157 28.208 3 H3 GLY -2 HT2 GLY -2 -5.128 -18.611 27.996 4 1HA GLY -2 HA2 GLY -2 -2.505 -19.233 29.243 5 2HA GLY -2 HA3 GLY -2 -3.963 -18.768 30.108 6 H SER -1 H SER -1 -3.553 -17.235 27.093 7 HA SER -1 HA SER -1 -3.024 -14.709 28.439 8 1HB SER -1 HB2 SER -1 -1.213 -14.106 26.870 9 2HB SER -1 HB3 SER -1 -0.782 -15.502 27.858 10 HG SER -1 HG SER -1 -0.941 -15.311 25.186 11 H HIS 0 H HIS 0 -3.933 -16.498 25.572 12 HA HIS 0 HA HIS 0 -5.507 -14.175 24.694 13 1HB HIS 0 HB2 HIS 0 -3.954 -16.050 22.897 14 2HB HIS 0 HB3 HIS 0 -5.036 -14.776 22.345 15 HD1 HIS 0 HD1 HIS 0 -1.583 -15.404 23.401 16 HD2 HIS 0 HD2 HIS 0 -4.070 -12.110 22.921 17 HE1 HIS 0 HE1 HIS 0 -0.056 -13.407 23.375 18 HE2 HIS 0 HE2 HIS 0 -1.591 -11.419 23.171 19 H MET 1 H MET 1 -7.463 -14.655 23.617 20 HA MET 1 HA MET 1 -8.601 -17.210 24.409 21 1HB MET 1 HB2 MET 1 -9.895 -14.783 23.152 22 2HB MET 1 HB3 MET 1 -10.751 -16.203 23.739 23 1HG MET 1 HG2 MET 1 -9.958 -15.746 26.004 24 2HG MET 1 HG3 MET 1 -9.108 -14.318 25.414 25 1HE MET 1 HE2 MET 1 -12.596 -15.990 26.044 26 2HE MET 1 HE1 MET 1 -13.702 -14.769 25.412 27 3HE MET 1 HE3 MET 1 -12.649 -15.659 24.313 28 H ILE 2 H ILE 2 -6.978 -16.082 21.776 29 HA ILE 2 HA ILE 2 -6.685 -16.813 19.642 30 HB ILE 2 HB ILE 2 -8.369 -19.218 20.305 31 1HG1 ILE 2 2HG1 ILE 2 -6.812 -18.888 22.170 32 2HG1 ILE 2 3HG1 ILE 2 -6.347 -20.288 21.210 33 1HG2 ILE 2 1HG2 ILE 2 -6.007 -18.767 18.488 34 2HG2 ILE 2 3HG2 ILE 2 -6.738 -20.340 18.806 35 3HG2 ILE 2 2HG2 ILE 2 -7.675 -19.077 18.010 36 1HD1 ILE 2 3HD1 ILE 2 -4.616 -18.961 20.116 37 2HD1 ILE 2 2HD1 ILE 2 -5.081 -17.561 21.084 38 3HD1 ILE 2 1HD1 ILE 2 -4.408 -18.991 21.866 39 H ALA 3 H ALA 3 -9.382 -15.571 20.682 40 HA ALA 3 HA ALA 3 -11.072 -16.263 18.393 41 1HB ALA 3 HB1 ALA 3 -12.113 -16.308 20.608 42 2HB ALA 3 HB3 ALA 3 -11.716 -14.604 20.829 43 3HB ALA 3 HB2 ALA 3 -12.853 -15.088 19.571 44 HA PRO 4 HA PRO 4 -10.025 -12.632 16.098 45 1HB PRO 4 HB2 PRO 4 -12.891 -12.476 15.364 46 2HB PRO 4 HB3 PRO 4 -11.470 -12.617 14.325 47 1HG PRO 4 HG2 PRO 4 -13.109 -14.691 14.704 48 2HG PRO 4 HG3 PRO 4 -11.355 -14.918 14.573 49 1HD PRO 4 HD2 PRO 4 -13.092 -14.913 17.011 50 2HD PRO 4 HD3 PRO 4 -11.710 -15.955 16.613 51 H LEU 5 H LEU 5 -9.603 -10.875 17.303 52 HA LEU 5 HA LEU 5 -11.862 -9.209 18.128 53 1HB LEU 5 HB2 LEU 5 -9.554 -9.960 19.924 54 2HB LEU 5 HB3 LEU 5 -10.744 -8.726 20.290 55 HG LEU 5 HG LEU 5 -11.397 -11.646 19.886 56 1HD1 LEU 5 2HD1 LEU 5 -10.004 -11.341 21.862 57 2HD1 LEU 5 1HD1 LEU 5 -11.089 -10.078 22.441 58 3HD1 LEU 5 3HD1 LEU 5 -11.663 -11.740 22.311 59 1HD2 LEU 5 2HD2 LEU 5 -13.244 -10.132 19.388 60 2HD2 LEU 5 1HD2 LEU 5 -13.549 -11.048 20.865 61 3HD2 LEU 5 3HD2 LEU 5 -13.042 -9.361 20.961 62 H SER 6 H SER 6 -10.471 -7.186 19.368 63 HA SER 6 HA SER 6 -9.526 -5.679 17.214 64 1HB SER 6 HB2 SER 6 -8.765 -4.059 18.919 65 2HB SER 6 HB3 SER 6 -10.395 -4.644 19.255 66 HG SER 6 HG SER 6 -7.974 -5.409 20.512 67 H VAL 7 H VAL 7 -7.910 -7.921 19.294 68 HA VAL 7 HA VAL 7 -5.255 -6.992 18.618 69 HB VAL 7 HB VAL 7 -4.457 -8.927 19.905 70 1HG1 VAL 7 2HG1 VAL 7 -4.966 -6.852 21.073 71 2HG1 VAL 7 1HG1 VAL 7 -6.638 -7.369 21.290 72 3HG1 VAL 7 3HG1 VAL 7 -5.333 -8.245 22.089 73 1HG2 VAL 7 1HG2 VAL 7 -7.385 -9.586 20.210 74 2HG2 VAL 7 3HG2 VAL 7 -6.185 -10.531 19.328 75 3HG2 VAL 7 2HG2 VAL 7 -6.065 -10.368 21.080 76 H LYS 8 H LYS 8 -3.806 -7.978 17.252 77 HA LYS 8 HA LYS 8 -4.139 -10.465 16.010 78 1HB LYS 8 HB2 LYS 8 -6.029 -9.333 14.887 79 2HB LYS 8 HB3 LYS 8 -4.927 -8.104 14.286 80 1HG LYS 8 HG2 LYS 8 -5.373 -9.665 12.533 81 2HG LYS 8 HG3 LYS 8 -3.701 -9.872 13.058 82 1HD LYS 8 HD2 LYS 8 -4.363 -11.798 14.413 83 2HD LYS 8 HD3 LYS 8 -6.036 -11.591 13.895 84 1HE LYS 8 HE2 LYS 8 -5.365 -11.983 11.575 85 2HE LYS 8 HE3 LYS 8 -3.692 -12.189 12.093 86 1HZ LYS 8 HZ3 LYS 8 -5.976 -13.906 12.905 87 2HZ LYS 8 HZ2 LYS 8 -4.787 -14.316 11.774 88 3HZ LYS 8 HZ1 LYS 8 -4.370 -14.105 13.400 89 H ASP 9 H ASP 9 -2.280 -11.044 14.987 90 HA ASP 9 HA ASP 9 -0.042 -9.286 15.234 91 1HB ASP 9 HB2 ASP 9 -0.110 -11.954 13.838 92 2HB ASP 9 HB3 ASP 9 1.271 -11.156 14.567 93 H ASN 10 H ASN 10 0.149 -7.665 13.824 94 HA ASN 10 HA ASN 10 -0.169 -8.259 10.964 95 1HB ASN 10 HB2 ASN 10 -0.373 -5.510 11.202 96 2HB ASN 10 HB3 ASN 10 -1.706 -6.636 10.970 97 1HD2 ASN 10 1HD2 ASN 10 0.054 -4.693 13.248 98 2HD2 ASN 10 2HD2 ASN 10 -1.123 -4.744 14.512 99 H ASP 11 H ASP 11 1.086 -5.391 12.492 100 HA ASP 11 HA ASP 11 3.086 -4.679 10.933 101 1HB ASP 11 HB2 ASP 11 4.358 -4.122 13.186 102 2HB ASP 11 HB3 ASP 11 2.884 -3.274 12.728 103 H LYS 12 H LYS 12 4.385 -5.980 9.870 104 HA LYS 12 HA LYS 12 5.749 -8.177 11.194 105 1HB LYS 12 HB2 LYS 12 5.313 -7.331 8.379 106 2HB LYS 12 HB3 LYS 12 6.768 -8.258 8.720 107 1HG LYS 12 HG2 LYS 12 4.270 -9.329 9.854 108 2HG LYS 12 HG3 LYS 12 4.402 -9.360 8.095 109 1HD LYS 12 HD2 LYS 12 5.229 -11.439 9.047 110 2HD LYS 12 HD3 LYS 12 6.542 -10.544 8.281 111 1HE LYS 12 HE2 LYS 12 7.281 -9.734 10.454 112 2HE LYS 12 HE3 LYS 12 5.941 -10.572 11.237 113 1HZ LYS 12 HZ1 LYS 12 6.861 -12.675 10.475 114 2HZ LYS 12 HZ3 LYS 12 8.150 -11.867 9.733 115 3HZ LYS 12 HZ2 LYS 12 7.986 -11.833 11.416 116 H TRP 13 H TRP 13 7.285 -7.343 12.523 117 HA TRP 13 HA TRP 13 9.085 -5.273 11.689 118 1HB TRP 13 HB2 TRP 13 9.503 -7.001 14.104 119 2HB TRP 13 HB3 TRP 13 9.847 -5.292 13.882 120 HD1 TRP 13 HD1 TRP 13 6.896 -7.666 14.534 121 HE1 TRP 13 HE1 TRP 13 4.947 -6.311 15.522 122 HE3 TRP 13 HE3 TRP 13 8.891 -2.972 14.154 123 HZ2 TRP 13 HZ2 TRP 13 4.320 -3.607 16.062 124 HZ3 TRP 13 HZ3 TRP 13 7.557 -1.059 14.939 125 HH2 TRP 13 HH2 TRP 13 5.327 -1.372 15.877 126 H VAL 14 H VAL 14 10.428 -5.851 10.052 127 HA VAL 14 HA VAL 14 12.345 -7.995 10.629 128 HB VAL 14 HB VAL 14 12.119 -8.979 8.377 129 1HG1 VAL 14 2HG1 VAL 14 11.024 -10.045 10.272 130 2HG1 VAL 14 1HG1 VAL 14 9.591 -9.049 10.020 131 3HG1 VAL 14 3HG1 VAL 14 10.062 -10.237 8.806 132 1HG2 VAL 14 3HG2 VAL 14 9.678 -7.220 8.186 133 2HG2 VAL 14 2HG2 VAL 14 11.137 -7.109 7.202 134 3HG2 VAL 14 1HG2 VAL 14 10.085 -8.517 7.063 135 H ASP 15 H ASP 15 13.716 -8.159 8.372 136 HA ASP 15 HA ASP 15 14.791 -5.447 8.012 137 1HB ASP 15 HB2 ASP 15 15.979 -8.165 8.170 138 2HB ASP 15 HB3 ASP 15 16.775 -7.000 7.113 139 H THR 16 H THR 16 16.205 -5.540 5.766 140 HA THR 16 HA THR 16 15.070 -6.938 3.593 141 HB THR 16 HB THR 16 13.215 -5.259 4.298 142 HG1 THR 16 HG1 THR 16 13.561 -4.842 1.629 143 1HG2 THR 16 1HG2 THR 16 14.708 -3.296 4.410 144 2HG2 THR 16 3HG2 THR 16 14.977 -3.432 2.674 145 3HG2 THR 16 2HG2 THR 16 13.366 -3.066 3.290 146 H HIS 17 H HIS 17 15.457 -5.490 1.457 147 HA HIS 17 HA HIS 17 18.185 -4.397 1.678 148 1HB HIS 17 HB2 HIS 17 16.965 -6.318 -0.231 149 2HB HIS 17 HB3 HIS 17 18.095 -5.150 -0.904 150 HD1 HIS 17 HD1 HIS 17 17.923 -8.289 0.987 151 HD2 HIS 17 HD2 HIS 17 20.755 -5.349 0.214 152 HE1 HIS 17 HE1 HIS 17 20.136 -9.304 1.617 153 HE2 HIS 17 HE2 HIS 17 21.843 -7.538 1.058 154 H VAL 18 H VAL 18 18.374 -3.387 -0.941 155 HA VAL 18 HA VAL 18 16.679 -1.043 -0.642 156 HB VAL 18 HB VAL 18 19.045 -0.666 -1.058 157 1HG1 VAL 18 3HG1 VAL 18 19.537 -2.673 -2.347 158 2HG1 VAL 18 2HG1 VAL 18 18.581 -2.056 -3.695 159 3HG1 VAL 18 1HG1 VAL 18 20.063 -1.229 -3.211 160 1HG2 VAL 18 3HG2 VAL 18 17.406 0.979 -1.860 161 2HG2 VAL 18 2HG2 VAL 18 18.846 0.936 -2.878 162 3HG2 VAL 18 1HG2 VAL 18 17.359 0.159 -3.421 163 H GLY 19 H GLY 19 15.034 -0.483 -1.879 164 1HA GLY 19 HA3 GLY 19 14.585 -1.022 -4.554 165 2HA GLY 19 HA2 GLY 19 13.331 -0.647 -3.389 166 H LYS 20 H LYS 20 14.234 -3.200 -1.901 167 HA LYS 20 HA LYS 20 13.682 -5.385 -3.584 168 1HB LYS 20 HB2 LYS 20 14.521 -5.128 -1.014 169 2HB LYS 20 HB3 LYS 20 12.865 -5.637 -0.759 170 1HG LYS 20 HG2 LYS 20 14.048 -7.623 -0.782 171 2HG LYS 20 HG3 LYS 20 13.400 -7.515 -2.423 172 1HD LYS 20 HD2 LYS 20 15.458 -6.872 -3.316 173 2HD LYS 20 HD3 LYS 20 16.082 -6.409 -1.738 174 1HE LYS 20 HE2 LYS 20 16.128 -8.763 -1.063 175 2HE LYS 20 HE3 LYS 20 15.489 -9.226 -2.640 176 1HZ LYS 20 HZ2 LYS 20 18.095 -7.885 -2.161 177 2HZ LYS 20 HZ1 LYS 20 17.881 -9.519 -2.537 178 3HZ LYS 20 HZ3 LYS 20 17.481 -8.331 -3.672 179 H THR 21 H THR 21 11.904 -4.751 -4.838 180 HA THR 21 HA THR 21 9.469 -3.788 -4.021 181 HB THR 21 HB THR 21 9.707 -5.863 -6.193 182 HG1 THR 21 HG1 THR 21 11.118 -3.635 -6.005 183 1HG2 THR 21 1HG2 THR 21 7.960 -3.419 -5.860 184 2HG2 THR 21 3HG2 THR 21 7.949 -4.509 -7.247 185 3HG2 THR 21 2HG2 THR 21 7.449 -5.094 -5.660 186 H THR 22 H THR 22 8.626 -4.603 -2.166 187 HA THR 22 HA THR 22 8.127 -7.475 -1.975 188 HB THR 22 HB THR 22 7.808 -5.246 0.045 189 HG1 THR 22 HG1 THR 22 9.569 -7.482 -0.091 190 1HG2 THR 22 3HG2 THR 22 6.057 -6.924 0.397 191 2HG2 THR 22 2HG2 THR 22 7.276 -8.198 0.399 192 3HG2 THR 22 1HG2 THR 22 7.265 -6.987 1.681 193 H GLU 23 H GLU 23 6.459 -7.968 -3.234 194 HA GLU 23 HA GLU 23 4.118 -6.360 -3.482 195 1HB GLU 23 HB2 GLU 23 5.051 -7.846 -5.261 196 2HB GLU 23 HB3 GLU 23 4.570 -9.232 -4.293 197 1HG GLU 23 HG2 GLU 23 2.285 -8.758 -4.561 198 2HG GLU 23 HG3 GLU 23 2.625 -7.141 -5.174 199 H ILE 24 H ILE 24 2.264 -6.472 -2.392 200 HA ILE 24 HA ILE 24 1.852 -8.740 -0.565 201 HB ILE 24 HB ILE 24 1.244 -5.884 0.133 202 1HG1 ILE 24 2HG1 ILE 24 3.557 -7.578 1.086 203 2HG1 ILE 24 3HG1 ILE 24 3.688 -6.270 -0.083 204 1HG2 ILE 24 3HG2 ILE 24 -0.147 -7.557 1.241 205 2HG2 ILE 24 2HG2 ILE 24 1.302 -8.386 1.811 206 3HG2 ILE 24 1HG2 ILE 24 0.930 -6.762 2.390 207 1HD1 ILE 24 2HD1 ILE 24 2.776 -4.745 1.695 208 2HD1 ILE 24 1HD1 ILE 24 2.998 -6.078 2.828 209 3HD1 ILE 24 3HD1 ILE 24 4.389 -5.397 1.984 210 H HIS 25 H HIS 25 0.217 -9.700 -1.678 211 HA HIS 25 HA HIS 25 -2.042 -8.171 -2.628 212 1HB HIS 25 HB2 HIS 25 -2.014 -11.160 -2.403 213 2HB HIS 25 HB3 HIS 25 -2.810 -10.150 -3.596 214 HD1 HIS 25 HD1 HIS 25 -0.191 -12.445 -3.444 215 HD2 HIS 25 HD2 HIS 25 -0.575 -8.674 -5.144 216 HE1 HIS 25 HE1 HIS 25 1.584 -12.326 -5.219 217 HE2 HIS 25 HE2 HIS 25 1.219 -10.101 -6.341 218 H LEU 26 H LEU 26 -3.146 -7.310 -0.939 219 HA LEU 26 HA LEU 26 -3.783 -8.984 1.367 220 1HB LEU 26 HB2 LEU 26 -4.366 -6.074 0.859 221 2HB LEU 26 HB3 LEU 26 -4.647 -6.920 2.366 222 HG LEU 26 HG LEU 26 -1.902 -6.621 1.155 223 1HD1 LEU 26 3HD1 LEU 26 -2.820 -4.402 1.571 224 2HD1 LEU 26 2HD1 LEU 26 -3.239 -4.875 3.217 225 3HD1 LEU 26 1HD1 LEU 26 -1.547 -4.787 2.728 226 1HD2 LEU 26 1HD2 LEU 26 -2.267 -8.430 2.815 227 2HD2 LEU 26 3HD2 LEU 26 -1.122 -7.199 3.352 228 3HD2 LEU 26 2HD2 LEU 26 -2.769 -7.205 3.982 229 H LYS 27 H LYS 27 -5.903 -9.382 2.038 230 HA LYS 27 HA LYS 27 -7.860 -9.228 -0.141 231 1HB LYS 27 HB2 LYS 27 -8.140 -10.898 2.345 232 2HB LYS 27 HB3 LYS 27 -8.967 -11.085 0.807 233 1HG LYS 27 HG2 LYS 27 -6.766 -11.649 -0.229 234 2HG LYS 27 HG3 LYS 27 -6.073 -11.650 1.395 235 1HD LYS 27 HD2 LYS 27 -6.604 -13.913 0.799 236 2HD LYS 27 HD3 LYS 27 -7.737 -13.382 2.044 237 1HE LYS 27 HE2 LYS 27 -9.417 -12.934 0.322 238 2HE LYS 27 HE3 LYS 27 -8.285 -13.467 -0.921 239 1HZ LYS 27 HZ2 LYS 27 -9.350 -15.155 1.277 240 2HZ LYS 27 HZ1 LYS 27 -9.847 -15.213 -0.339 241 3HZ LYS 27 HZ3 LYS 27 -8.270 -15.664 0.079 242 H GLY 28 H GLY 28 -10.135 -8.883 0.497 243 1HA GLY 28 HA3 GLY 28 -10.366 -6.451 1.938 244 2HA GLY 28 HA2 GLY 28 -10.960 -7.787 2.909 245 H ASN 29 H ASN 29 -12.301 -5.436 1.610 246 HA ASN 29 HA ASN 29 -13.898 -6.320 -0.536 247 1HB ASN 29 HB2 ASN 29 -14.808 -7.875 1.134 248 2HB ASN 29 HB3 ASN 29 -15.200 -6.521 2.189 249 1HD2 ASN 29 1HD2 ASN 29 -17.379 -7.058 2.193 250 2HD2 ASN 29 2HD2 ASN 29 -18.398 -6.769 0.828 251 HA PRO 30 HA PRO 30 -13.792 -1.750 -0.047 252 1HB PRO 30 HB2 PRO 30 -15.041 -2.150 -2.728 253 2HB PRO 30 HB3 PRO 30 -13.780 -1.014 -2.234 254 1HG PRO 30 HG2 PRO 30 -13.176 -3.208 -3.618 255 2HG PRO 30 HG3 PRO 30 -12.117 -2.627 -2.321 256 1HD PRO 30 HD2 PRO 30 -13.989 -4.936 -2.347 257 2HD PRO 30 HD3 PRO 30 -12.445 -4.743 -1.498 258 H THR 31 H THR 31 -16.395 -3.940 -0.852 259 HA THR 31 HA THR 31 -18.540 -2.146 -0.867 260 HB THR 31 HB THR 31 -18.581 -5.034 0.022 261 HG1 THR 31 HG1 THR 31 -17.911 -4.025 -2.332 262 1HG2 THR 31 2HG2 THR 31 -20.725 -3.259 -1.135 263 2HG2 THR 31 1HG2 THR 31 -20.899 -4.974 -0.762 264 3HG2 THR 31 3HG2 THR 31 -20.626 -3.813 0.536 265 H THR 32 H THR 32 -16.898 -3.804 1.773 266 HA THR 32 HA THR 32 -18.716 -3.405 3.829 267 HB THR 32 HB THR 32 -16.815 -3.526 5.381 268 HG1 THR 32 HG1 THR 32 -14.686 -3.710 4.413 269 1HG2 THR 32 3HG2 THR 32 -17.682 -5.594 4.386 270 2HG2 THR 32 2HG2 THR 32 -16.544 -5.427 3.049 271 3HG2 THR 32 1HG2 THR 32 -15.948 -5.703 4.685 272 H GLY 33 H GLY 33 -15.887 -1.337 3.112 273 1HA GLY 33 HA3 GLY 33 -17.080 0.801 4.699 274 2HA GLY 33 HA2 GLY 33 -16.875 1.121 2.983 275 H TYR 34 H TYR 34 -14.637 -0.805 4.881 276 HA TYR 34 HA TYR 34 -12.799 1.394 5.234 277 1HB TYR 34 HB2 TYR 34 -12.588 -1.549 5.870 278 2HB TYR 34 HB3 TYR 34 -11.298 -0.395 6.189 279 HD1 TYR 34 HD1 TYR 34 -14.850 -1.145 6.985 280 HD2 TYR 34 HD2 TYR 34 -11.280 0.849 8.188 281 HE1 TYR 34 HE1 TYR 34 -15.879 -0.620 9.154 282 HE2 TYR 34 HE2 TYR 34 -12.307 1.375 10.359 283 HH TYR 34 HH TYR 34 -15.175 -0.075 11.442 284 H MET 35 H MET 35 -10.359 0.542 4.771 285 HA MET 35 HA MET 35 -10.092 -0.594 2.130 286 1HB MET 35 HB2 MET 35 -10.263 1.543 1.291 287 2HB MET 35 HB3 MET 35 -9.724 2.283 2.794 288 1HG MET 35 HG2 MET 35 -7.430 1.504 2.299 289 2HG MET 35 HG3 MET 35 -8.013 0.914 0.760 290 1HE MET 35 HE2 MET 35 -10.085 3.038 -0.117 291 2HE MET 35 HE1 MET 35 -9.155 4.260 -0.984 292 3HE MET 35 HE3 MET 35 -8.843 2.549 -1.269 293 H TRP 36 H TRP 36 -7.938 -1.205 1.679 294 HA TRP 36 HA TRP 36 -6.214 -1.274 4.056 295 1HB TRP 36 HB2 TRP 36 -6.822 -3.210 1.936 296 2HB TRP 36 HB3 TRP 36 -5.116 -3.060 2.317 297 HD1 TRP 36 HD1 TRP 36 -7.970 -5.047 3.277 298 HE1 TRP 36 HE1 TRP 36 -7.672 -6.095 5.609 299 HE3 TRP 36 HE3 TRP 36 -4.053 -2.221 4.933 300 HZ2 TRP 36 HZ2 TRP 36 -5.995 -5.762 7.856 301 HZ3 TRP 36 HZ3 TRP 36 -3.159 -2.646 7.179 302 HH2 TRP 36 HH2 TRP 36 -4.113 -4.379 8.612 303 H THR 37 H THR 37 -5.346 0.790 3.698 304 HA THR 37 HA THR 37 -3.420 0.892 1.469 305 HB THR 37 HB THR 37 -5.384 2.345 0.989 306 HG1 THR 37 HG1 THR 37 -4.087 3.891 0.197 307 1HG2 THR 37 1HG2 THR 37 -5.921 2.928 3.315 308 2HG2 THR 37 3HG2 THR 37 -4.435 3.872 3.418 309 3HG2 THR 37 2HG2 THR 37 -5.720 4.367 2.314 310 H ARG 38 H ARG 38 -2.235 3.391 2.210 311 HA ARG 38 HA ARG 38 -0.826 2.493 4.589 312 1HB ARG 38 HB2 ARG 38 -0.174 4.294 2.324 313 2HB ARG 38 HB3 ARG 38 0.560 4.665 3.870 314 1HG ARG 38 HG2 ARG 38 1.637 2.578 3.978 315 2HG ARG 38 HG3 ARG 38 0.721 1.970 2.599 316 1HD ARG 38 HD2 ARG 38 3.129 2.748 2.226 317 2HD ARG 38 HD3 ARG 38 1.916 3.248 1.082 318 HE ARG 38 HE ARG 38 1.942 5.424 2.219 319 1HH1 ARG 38 1HH1 ARG 38 4.607 3.241 2.741 320 2HH1 ARG 38 2HH1 ARG 38 5.742 4.500 3.089 321 1HH2 ARG 38 1HH2 ARG 38 3.446 7.095 2.661 322 2HH2 ARG 38 2HH2 ARG 38 5.084 6.686 3.045 323 H VAL 39 H VAL 39 -0.695 3.584 6.482 324 HA VAL 39 HA VAL 39 -2.851 5.058 7.384 325 HB VAL 39 HB VAL 39 -0.065 5.192 8.541 326 1HG1 VAL 39 3HG1 VAL 39 -2.781 5.549 9.803 327 2HG1 VAL 39 2HG1 VAL 39 -1.241 5.556 10.663 328 3HG1 VAL 39 1HG1 VAL 39 -1.600 6.819 9.486 329 1HG2 VAL 39 3HG2 VAL 39 -0.986 2.856 8.090 330 2HG2 VAL 39 2HG2 VAL 39 -0.463 3.213 9.736 331 3HG2 VAL 39 1HG2 VAL 39 -2.182 3.215 9.335 332 H GLY 40 H GLY 40 -3.412 7.152 7.429 333 1HA GLY 40 HA3 GLY 40 -1.489 9.274 7.134 334 2HA GLY 40 HA2 GLY 40 -3.230 9.455 7.291 335 H PHE 41 H PHE 41 -1.489 7.567 4.879 336 HA PHE 41 HA PHE 41 -1.891 9.535 2.809 337 1HB PHE 41 HB2 PHE 41 -0.913 6.685 2.584 338 2HB PHE 41 HB3 PHE 41 -0.719 7.960 1.385 339 HD1 PHE 41 HD1 PHE 41 0.653 6.365 4.241 340 HD2 PHE 41 HD2 PHE 41 0.636 10.014 2.069 341 HE1 PHE 41 HE1 PHE 41 2.756 7.022 5.345 342 HE2 PHE 41 HE2 PHE 41 2.742 10.682 3.155 343 HZ PHE 41 HZ PHE 41 3.802 9.185 4.801 344 H VAL 42 H VAL 42 -3.917 7.555 4.307 345 HA VAL 42 HA VAL 42 -5.280 6.067 2.425 346 HB VAL 42 HB VAL 42 -6.607 7.604 4.657 347 1HG1 VAL 42 1HG1 VAL 42 -8.070 6.473 2.996 348 2HG1 VAL 42 3HG1 VAL 42 -7.317 4.944 3.443 349 3HG1 VAL 42 2HG1 VAL 42 -8.238 5.856 4.638 350 1HG2 VAL 42 1HG2 VAL 42 -4.518 6.311 5.305 351 2HG2 VAL 42 3HG2 VAL 42 -6.001 5.923 6.175 352 3HG2 VAL 42 2HG2 VAL 42 -5.427 4.856 4.894 353 H GLY 43 H GLY 43 -5.946 6.733 0.495 354 1HA GLY 43 HA3 GLY 43 -7.360 9.323 0.331 355 2HA GLY 43 HA2 GLY 43 -7.856 7.899 -0.572 356 H LYS 44 H LYS 44 -4.490 8.278 -0.298 357 HA LYS 44 HA LYS 44 -4.158 9.915 -2.644 358 1HB LYS 44 HB2 LYS 44 -2.149 8.375 -0.993 359 2HB LYS 44 HB3 LYS 44 -1.756 9.520 -2.263 360 1HG LYS 44 HG2 LYS 44 -2.967 11.269 -0.935 361 2HG LYS 44 HG3 LYS 44 -3.068 10.092 0.377 362 1HD LYS 44 HD2 LYS 44 -0.646 9.940 0.464 363 2HD LYS 44 HD3 LYS 44 -0.509 11.049 -0.902 364 1HE LYS 44 HE2 LYS 44 -1.620 12.794 0.441 365 2HE LYS 44 HE3 LYS 44 -1.663 11.683 1.811 366 1HZ LYS 44 HZ3 LYS 44 0.753 11.611 1.779 367 2HZ LYS 44 HZ2 LYS 44 0.792 12.679 0.468 368 3HZ LYS 44 HZ1 LYS 44 0.205 13.201 1.966 369 H ASP 45 H ASP 45 -1.959 8.661 -3.838 370 HA ASP 45 HA ASP 45 -3.240 6.302 -5.053 371 1HB ASP 45 HB2 ASP 45 -3.034 8.274 -6.553 372 2HB ASP 45 HB3 ASP 45 -1.289 8.218 -6.341 373 H VAL 46 H VAL 46 -0.025 7.744 -4.595 374 HA VAL 46 HA VAL 46 1.246 5.144 -4.745 375 HB VAL 46 HB VAL 46 2.520 7.794 -4.078 376 1HG1 VAL 46 3HG1 VAL 46 3.854 5.822 -3.517 377 2HG1 VAL 46 2HG1 VAL 46 3.683 5.234 -5.170 378 3HG1 VAL 46 1HG1 VAL 46 4.570 6.725 -4.852 379 1HG2 VAL 46 3HG2 VAL 46 1.324 7.913 -6.207 380 2HG2 VAL 46 2HG2 VAL 46 3.073 7.983 -6.431 381 3HG2 VAL 46 1HG2 VAL 46 2.198 6.490 -6.772 382 H LEU 47 H LEU 47 0.520 7.569 -2.325 383 HA LEU 47 HA LEU 47 0.380 7.443 -0.064 384 1HB LEU 47 HB2 LEU 47 1.411 4.642 -0.103 385 2HB LEU 47 HB3 LEU 47 0.378 5.412 1.074 386 HG LEU 47 HG LEU 47 -0.483 4.721 -1.732 387 1HD1 LEU 47 3HD1 LEU 47 -0.967 3.264 0.863 388 2HD1 LEU 47 2HD1 LEU 47 -1.763 2.903 -0.670 389 3HD1 LEU 47 1HD1 LEU 47 -0.019 2.688 -0.509 390 1HD2 LEU 47 3HD2 LEU 47 -2.034 5.639 0.684 391 2HD2 LEU 47 2HD2 LEU 47 -1.736 6.566 -0.787 392 3HD2 LEU 47 1HD2 LEU 47 -2.741 5.117 -0.846 393 H SER 48 H SER 48 3.202 5.805 -1.439 394 HA SER 48 HA SER 48 5.012 6.271 0.632 395 1HB SER 48 HB2 SER 48 5.510 4.735 -1.181 396 2HB SER 48 HB3 SER 48 5.510 6.059 -2.343 397 HG SER 48 HG SER 48 7.239 6.114 -0.127 398 H ASP 49 H ASP 49 7.164 7.633 -0.138 399 HA ASP 49 HA ASP 49 6.390 10.287 -1.043 400 1HB ASP 49 HB2 ASP 49 7.503 9.736 1.707 401 2HB ASP 49 HB3 ASP 49 7.538 11.328 0.954 402 H GLU 50 H GLU 50 9.201 9.382 0.874 403 HA GLU 50 HA GLU 50 10.884 9.498 -1.525 404 1HB GLU 50 HB2 GLU 50 12.428 11.001 -0.432 405 2HB GLU 50 HB3 GLU 50 10.817 11.709 -0.420 406 1HG GLU 50 HG2 GLU 50 10.518 10.983 1.897 407 2HG GLU 50 HG3 GLU 50 12.154 10.323 1.890 408 H ILE 51 H ILE 51 10.369 8.391 1.742 409 HA ILE 51 HA ILE 51 12.895 7.072 2.021 410 HB ILE 51 HB ILE 51 10.366 6.566 3.578 411 1HG1 ILE 51 2HG1 ILE 51 11.013 8.976 3.510 412 2HG1 ILE 51 3HG1 ILE 51 11.061 8.262 5.114 413 1HG2 ILE 51 1HG2 ILE 51 13.272 6.084 4.204 414 2HG2 ILE 51 3HG2 ILE 51 11.955 5.915 5.365 415 3HG2 ILE 51 2HG2 ILE 51 12.020 4.869 3.947 416 1HD1 ILE 51 1HD1 ILE 51 13.454 8.706 3.345 417 2HD1 ILE 51 3HD1 ILE 51 12.961 9.752 4.677 418 3HD1 ILE 51 2HD1 ILE 51 13.470 8.094 5.000 419 H LEU 52 H LEU 52 9.881 5.385 2.547 420 HA LEU 52 HA LEU 52 10.905 3.154 0.968 421 1HB LEU 52 HB2 LEU 52 9.595 3.318 3.402 422 2HB LEU 52 HB3 LEU 52 8.353 2.753 2.302 423 HG LEU 52 HG LEU 52 11.024 1.449 2.777 424 1HD1 LEU 52 3HD1 LEU 52 9.467 1.176 4.635 425 2HD1 LEU 52 2HD1 LEU 52 8.237 0.579 3.521 426 3HD1 LEU 52 1HD1 LEU 52 9.715 -0.347 3.782 427 1HD2 LEU 52 3HD2 LEU 52 8.741 0.678 0.976 428 2HD2 LEU 52 2HD2 LEU 52 10.371 1.134 0.489 429 3HD2 LEU 52 1HD2 LEU 52 10.103 -0.370 1.371 430 H GLU 53 H GLU 53 10.399 3.326 -1.161 431 HA GLU 53 HA GLU 53 8.170 4.642 -2.215 432 1HB GLU 53 HB2 GLU 53 10.346 3.514 -3.335 433 2HB GLU 53 HB3 GLU 53 9.164 2.259 -3.679 434 1HG GLU 53 HG2 GLU 53 9.015 5.147 -4.501 435 2HG GLU 53 HG3 GLU 53 9.305 3.756 -5.540 436 H VAL 54 H VAL 54 6.142 3.884 -2.921 437 HA VAL 54 HA VAL 54 5.413 1.154 -2.200 438 HB VAL 54 HB VAL 54 3.854 3.513 -1.141 439 1HG1 VAL 54 1HG1 VAL 54 3.476 0.542 -0.791 440 2HG1 VAL 54 3HG1 VAL 54 2.565 1.790 0.059 441 3HG1 VAL 54 2HG1 VAL 54 2.428 1.637 -1.693 442 1HG2 VAL 54 2HG2 VAL 54 5.676 1.566 0.261 443 2HG2 VAL 54 1HG2 VAL 54 5.874 3.311 0.128 444 3HG2 VAL 54 3HG2 VAL 54 4.555 2.645 1.088 445 H VAL 55 H VAL 55 5.084 0.759 -4.414 446 HA VAL 55 HA VAL 55 3.267 2.389 -5.923 447 HB VAL 55 HB VAL 55 4.164 -0.409 -6.583 448 1HG1 VAL 55 2HG1 VAL 55 2.197 0.574 -7.792 449 2HG1 VAL 55 1HG1 VAL 55 3.291 1.800 -8.427 450 3HG1 VAL 55 3HG1 VAL 55 3.549 0.101 -8.823 451 1HG2 VAL 55 3HG2 VAL 55 5.470 2.217 -7.284 452 2HG2 VAL 55 2HG2 VAL 55 6.131 0.960 -6.237 453 3HG2 VAL 55 1HG2 VAL 55 5.916 0.649 -7.960 454 H CYS 56 H CYS 56 1.445 2.404 -4.615 455 HA CYS 56 HA CYS 56 0.118 -0.003 -3.817 456 1HB CYS 56 HB2 CYS 56 -0.104 2.028 -2.483 457 2HB CYS 56 HB3 CYS 56 -0.851 2.858 -3.840 458 HG CYS 56 HG CYS 56 -2.355 1.362 -1.466 459 H LYS 57 H LYS 57 -1.338 -1.149 -4.875 460 HA LYS 57 HA LYS 57 -2.607 0.012 -7.252 461 1HB LYS 57 HB2 LYS 57 -1.552 -2.791 -7.026 462 2HB LYS 57 HB3 LYS 57 -2.316 -2.077 -8.432 463 1HG LYS 57 HG2 LYS 57 -0.455 -0.495 -8.634 464 2HG LYS 57 HG3 LYS 57 0.317 -1.241 -7.234 465 1HD LYS 57 HD2 LYS 57 1.325 -2.128 -9.226 466 2HD LYS 57 HD3 LYS 57 0.356 -3.397 -8.474 467 1HE LYS 57 HE2 LYS 57 -1.458 -2.947 -10.052 468 2HE LYS 57 HE3 LYS 57 -0.495 -1.673 -10.800 469 1HZ LYS 57 HZ3 LYS 57 1.149 -3.336 -11.422 470 2HZ LYS 57 HZ2 LYS 57 0.216 -4.555 -10.714 471 3HZ LYS 57 HZ1 LYS 57 -0.369 -3.721 -12.063 472 H TYR 58 H TYR 58 -4.185 0.298 -5.435 473 HA TYR 58 HA TYR 58 -5.595 -1.893 -4.352 474 1HB TYR 58 HB2 TYR 58 -5.648 0.467 -3.468 475 2HB TYR 58 HB3 TYR 58 -6.653 0.904 -4.844 476 HD1 TYR 58 HD1 TYR 58 -7.120 0.984 -1.714 477 HD2 TYR 58 HD2 TYR 58 -8.410 -1.611 -4.849 478 HE1 TYR 58 HE1 TYR 58 -9.148 0.417 -0.437 479 HE2 TYR 58 HE2 TYR 58 -10.418 -2.194 -3.572 480 HH TYR 58 HH TYR 58 -11.415 -0.425 -0.843 481 H THR 59 H THR 59 -6.404 -3.381 -5.710 482 HA THR 59 HA THR 59 -7.910 -2.472 -8.067 483 HB THR 59 HB THR 59 -6.924 -5.270 -7.479 484 HG1 THR 59 HG1 THR 59 -5.102 -4.052 -7.798 485 1HG2 THR 59 2HG2 THR 59 -8.806 -5.137 -9.048 486 2HG2 THR 59 1HG2 THR 59 -7.906 -3.984 -10.032 487 3HG2 THR 59 3HG2 THR 59 -7.325 -5.640 -9.863 488 HA PRO 60 HA PRO 60 -11.445 -4.052 -5.770 489 1HB PRO 60 HB2 PRO 60 -13.207 -2.293 -6.678 490 2HB PRO 60 HB3 PRO 60 -11.918 -1.776 -5.590 491 1HG PRO 60 HG2 PRO 60 -12.217 -1.351 -8.515 492 2HG PRO 60 HG3 PRO 60 -11.408 -0.337 -7.308 493 1HD PRO 60 HD2 PRO 60 -10.228 -2.243 -9.075 494 2HD PRO 60 HD3 PRO 60 -9.425 -1.276 -7.821 495 H THR 61 H THR 61 -10.524 -5.414 -8.121 496 HA THR 61 HA THR 61 -12.017 -5.654 -10.332 497 HB THR 61 HB THR 61 -11.569 -8.243 -8.947 498 HG1 THR 61 HG1 THR 61 -9.626 -7.670 -8.340 499 1HG2 THR 61 2HG2 THR 61 -10.869 -7.122 -11.659 500 2HG2 THR 61 1HG2 THR 61 -10.455 -8.751 -11.122 501 3HG2 THR 61 3HG2 THR 61 -12.146 -8.277 -11.278 502 HA PRO 62 HA PRO 62 -16.298 -6.259 -9.391 503 1HB PRO 62 HB2 PRO 62 -16.165 -8.244 -11.615 504 2HB PRO 62 HB3 PRO 62 -17.299 -6.912 -11.362 505 1HG PRO 62 HG2 PRO 62 -15.340 -6.695 -13.148 506 2HG PRO 62 HG3 PRO 62 -15.794 -5.316 -12.129 507 1HD PRO 62 HD2 PRO 62 -13.429 -7.122 -11.931 508 2HD PRO 62 HD3 PRO 62 -13.561 -5.387 -11.580 509 H SER 63 H SER 63 -17.530 -7.632 -8.200 510 HA SER 63 HA SER 63 -16.255 -10.085 -7.287 511 1HB SER 63 HB2 SER 63 -17.100 -8.546 -5.587 512 2HB SER 63 HB3 SER 63 -18.718 -8.634 -6.286 513 HG SER 63 HG SER 63 -18.895 -10.723 -5.621 514 H SER 64 H SER 64 -17.873 -11.924 -6.769 515 HA SER 64 HA SER 64 -19.253 -12.542 -9.266 516 1HB SER 64 HB2 SER 64 -18.549 -14.310 -6.910 517 2HB SER 64 HB3 SER 64 -19.292 -14.863 -8.412 518 HG SER 64 HG SER 64 -17.388 -14.896 -9.276 519 H THR 65 H THR 65 -20.264 -10.775 -6.988 520 HA THR 65 HA THR 65 -22.371 -12.005 -5.637 521 HB THR 65 HB THR 65 -23.355 -9.749 -5.420 522 HG1 THR 65 HG1 THR 65 -22.881 -8.280 -6.860 523 1HG2 THR 65 1HG2 THR 65 -20.356 -9.823 -5.065 524 2HG2 THR 65 3HG2 THR 65 -21.457 -8.694 -4.274 525 3HG2 THR 65 2HG2 THR 65 -21.552 -10.418 -3.913 526 HA PRO 66 HA PRO 66 -25.471 -12.649 -8.720 527 1HB PRO 66 HB2 PRO 66 -27.733 -12.488 -7.289 528 2HB PRO 66 HB3 PRO 66 -26.573 -13.798 -7.028 529 1HG PRO 66 HG2 PRO 66 -26.893 -11.226 -5.504 530 2HG PRO 66 HG3 PRO 66 -26.757 -12.879 -4.869 531 1HD PRO 66 HD2 PRO 66 -24.649 -11.192 -4.976 532 2HD PRO 66 HD3 PRO 66 -24.467 -12.943 -5.211 533 H MET 67 H MET 67 -24.720 -9.746 -7.713 534 HA MET 67 HA MET 67 -26.605 -8.436 -9.492 535 1HB MET 67 HB2 MET 67 -26.934 -6.595 -7.749 536 2HB MET 67 HB3 MET 67 -27.810 -8.099 -7.500 537 1HG MET 67 HG2 MET 67 -26.134 -8.813 -5.877 538 2HG MET 67 HG3 MET 67 -25.246 -7.312 -6.132 539 1HE MET 67 HE1 MET 67 -29.151 -7.820 -5.964 540 2HE MET 67 HE3 MET 67 -28.534 -8.946 -4.754 541 3HE MET 67 HE2 MET 67 -29.457 -7.528 -4.252 542 H VAL 68 H VAL 68 -25.206 -6.149 -7.516 543 HA VAL 68 HA VAL 68 -23.061 -5.699 -9.472 544 HB VAL 68 HB VAL 68 -24.272 -3.730 -7.526 545 1HG1 VAL 68 2HG1 VAL 68 -22.360 -3.327 -9.823 546 2HG1 VAL 68 1HG1 VAL 68 -23.089 -2.044 -8.857 547 3HG1 VAL 68 3HG1 VAL 68 -21.975 -3.187 -8.108 548 1HG2 VAL 68 3HG2 VAL 68 -24.738 -4.065 -10.486 549 2HG2 VAL 68 2HG2 VAL 68 -25.899 -4.404 -9.203 550 3HG2 VAL 68 1HG2 VAL 68 -25.363 -2.748 -9.492 551 H GLY 69 H GLY 69 -21.020 -6.016 -8.876 552 1HA GLY 69 HA3 GLY 69 -19.948 -7.171 -6.785 553 2HA GLY 69 HA2 GLY 69 -20.260 -5.593 -6.077 554 H VAL 70 H VAL 70 -18.332 -4.659 -5.850 555 HA VAL 70 HA VAL 70 -16.362 -4.876 -8.009 556 HB VAL 70 HB VAL 70 -17.090 -2.224 -6.755 557 1HG1 VAL 70 2HG1 VAL 70 -14.768 -2.399 -7.487 558 2HG1 VAL 70 1HG1 VAL 70 -15.303 -2.904 -9.089 559 3HG1 VAL 70 3HG1 VAL 70 -15.672 -1.280 -8.507 560 1HG2 VAL 70 3HG2 VAL 70 -18.926 -2.989 -8.155 561 2HG2 VAL 70 2HG2 VAL 70 -18.084 -1.640 -8.917 562 3HG2 VAL 70 1HG2 VAL 70 -17.807 -3.288 -9.485 563 H GLY 71 H GLY 71 -15.413 -6.327 -6.387 564 1HA GLY 71 HA3 GLY 71 -14.691 -6.127 -3.892 565 2HA GLY 71 HA2 GLY 71 -13.730 -4.804 -4.533 566 H GLY 72 H GLY 72 -11.681 -5.374 -4.715 567 1HA GLY 72 HA3 GLY 72 -10.172 -6.709 -6.184 568 2HA GLY 72 HA2 GLY 72 -11.061 -8.116 -5.629 569 H ILE 73 H ILE 73 -8.337 -6.299 -5.189 570 HA ILE 73 HA ILE 73 -8.023 -6.955 -2.367 571 HB ILE 73 HB ILE 73 -5.770 -7.889 -2.785 572 1HG1 ILE 73 2HG1 ILE 73 -6.544 -8.423 -5.617 573 2HG1 ILE 73 3HG1 ILE 73 -5.761 -6.900 -5.193 574 1HG2 ILE 73 3HG2 ILE 73 -7.762 -9.298 -2.359 575 2HG2 ILE 73 2HG2 ILE 73 -7.906 -9.524 -4.104 576 3HG2 ILE 73 1HG2 ILE 73 -6.469 -10.101 -3.253 577 1HD1 ILE 73 1HD1 ILE 73 -3.902 -8.170 -4.198 578 2HD1 ILE 73 3HD1 ILE 73 -4.672 -9.666 -4.728 579 3HD1 ILE 73 2HD1 ILE 73 -4.111 -8.493 -5.922 580 H TYR 74 H TYR 74 -5.322 -6.409 -2.162 581 HA TYR 74 HA TYR 74 -5.026 -3.680 -3.194 582 1HB TYR 74 HB2 TYR 74 -4.171 -4.326 -0.396 583 2HB TYR 74 HB3 TYR 74 -4.606 -2.771 -1.097 584 HD1 TYR 74 HD1 TYR 74 -6.003 -5.981 0.129 585 HD2 TYR 74 HD2 TYR 74 -6.823 -1.951 -0.957 586 HE1 TYR 74 HE1 TYR 74 -8.256 -6.193 1.075 587 HE2 TYR 74 HE2 TYR 74 -9.082 -2.160 -0.002 588 HH TYR 74 HH TYR 74 -10.708 -3.925 0.515 589 H VAL 75 H VAL 75 -3.388 -4.132 -4.611 590 HA VAL 75 HA VAL 75 -1.162 -5.799 -3.805 591 HB VAL 75 HB VAL 75 -1.686 -4.317 -6.383 592 1HG1 VAL 75 1HG1 VAL 75 0.523 -6.248 -5.685 593 2HG1 VAL 75 3HG1 VAL 75 0.176 -5.639 -7.304 594 3HG1 VAL 75 2HG1 VAL 75 0.704 -4.530 -6.039 595 1HG2 VAL 75 3HG2 VAL 75 -3.220 -6.165 -5.993 596 2HG2 VAL 75 2HG2 VAL 75 -2.099 -6.551 -7.299 597 3HG2 VAL 75 1HG2 VAL 75 -1.859 -7.247 -5.697 598 H VAL 76 H VAL 76 0.086 -4.800 -2.334 599 HA VAL 76 HA VAL 76 0.952 -2.044 -2.862 600 HB VAL 76 HB VAL 76 1.304 -3.640 -0.323 601 1HG1 VAL 76 3HG1 VAL 76 1.586 -0.691 -0.895 602 2HG1 VAL 76 2HG1 VAL 76 1.723 -1.445 0.694 603 3HG1 VAL 76 1HG1 VAL 76 2.900 -1.822 -0.565 604 1HG2 VAL 76 3HG2 VAL 76 -1.068 -3.333 -0.810 605 2HG2 VAL 76 2HG2 VAL 76 -0.573 -2.357 0.572 606 3HG2 VAL 76 1HG2 VAL 76 -0.811 -1.599 -1.003 607 H LEU 77 H LEU 77 2.843 -1.806 -3.856 608 HA LEU 77 HA LEU 77 4.938 -3.832 -3.476 609 1HB LEU 77 HB2 LEU 77 4.603 -1.682 -5.565 610 2HB LEU 77 HB3 LEU 77 6.034 -2.684 -5.428 611 HG LEU 77 HG LEU 77 3.233 -3.677 -6.008 612 1HD1 LEU 77 1HD1 LEU 77 5.636 -3.404 -7.807 613 2HD1 LEU 77 3HD1 LEU 77 4.098 -4.149 -8.245 614 3HD1 LEU 77 2HD1 LEU 77 4.170 -2.426 -7.873 615 1HD2 LEU 77 1HD2 LEU 77 4.935 -5.164 -4.736 616 2HD2 LEU 77 3HD2 LEU 77 4.066 -5.827 -6.119 617 3HD2 LEU 77 2HD2 LEU 77 5.733 -5.285 -6.304 618 H VAL 78 H VAL 78 6.250 -3.338 -1.833 619 HA VAL 78 HA VAL 78 6.805 -0.514 -1.295 620 HB VAL 78 HB VAL 78 7.989 -2.194 0.664 621 1HG1 VAL 78 2HG1 VAL 78 7.205 0.116 0.980 622 2HG1 VAL 78 1HG1 VAL 78 5.537 -0.426 0.787 623 3HG1 VAL 78 3HG1 VAL 78 6.494 -0.978 2.163 624 1HG2 VAL 78 1HG2 VAL 78 6.411 -3.914 -0.132 625 2HG2 VAL 78 3HG2 VAL 78 6.096 -3.408 1.526 626 3HG2 VAL 78 2HG2 VAL 78 5.078 -2.813 0.214 627 H LYS 79 H LYS 79 8.504 0.239 -2.338 628 HA LYS 79 HA LYS 79 10.911 -1.441 -2.564 629 1HB LYS 79 HB2 LYS 79 9.670 0.583 -4.376 630 2HB LYS 79 HB3 LYS 79 11.413 0.367 -4.418 631 1HG LYS 79 HG2 LYS 79 11.077 -2.030 -4.881 632 2HG LYS 79 HG3 LYS 79 9.325 -1.756 -4.920 633 1HD LYS 79 HD2 LYS 79 11.329 -0.389 -6.722 634 2HD LYS 79 HD3 LYS 79 10.375 -1.803 -7.172 635 1HE LYS 79 HE2 LYS 79 8.317 -0.522 -6.803 636 2HE LYS 79 HE3 LYS 79 9.279 0.892 -6.376 637 1HZ LYS 79 HZ2 LYS 79 10.220 0.877 -8.602 638 2HZ LYS 79 HZ1 LYS 79 9.291 -0.476 -9.011 639 3HZ LYS 79 HZ3 LYS 79 8.535 0.997 -8.665 640 HA PRO 80 HA PRO 80 12.227 1.700 0.519 641 1HB PRO 80 HB2 PRO 80 14.686 0.401 0.824 642 2HB PRO 80 HB3 PRO 80 13.266 0.203 1.852 643 1HG PRO 80 HG2 PRO 80 14.249 -1.506 -0.376 644 2HG PRO 80 HG3 PRO 80 13.419 -1.972 1.119 645 1HD PRO 80 HD2 PRO 80 12.157 -1.939 -1.255 646 2HD PRO 80 HD3 PRO 80 11.327 -1.500 0.254 647 H ARG 81 H ARG 81 12.647 3.503 -0.626 648 HA ARG 81 HA ARG 81 14.436 3.625 -2.821 649 1HB ARG 81 HB2 ARG 81 12.918 5.616 -1.207 650 2HB ARG 81 HB3 ARG 81 14.207 6.186 -2.249 651 1HG ARG 81 HG2 ARG 81 13.127 5.360 -4.187 652 2HG ARG 81 HG3 ARG 81 11.960 4.449 -3.224 653 1HD ARG 81 HD2 ARG 81 11.017 6.512 -2.375 654 2HD ARG 81 HD3 ARG 81 12.212 7.453 -3.268 655 HE ARG 81 HE ARG 81 10.663 5.741 -4.959 656 1HH1 ARG 81 1HH1 ARG 81 10.705 8.817 -3.325 657 2HH1 ARG 81 2HH1 ARG 81 9.590 9.560 -4.421 658 1HH2 ARG 81 1HH2 ARG 81 9.194 6.710 -6.408 659 2HH2 ARG 81 2HH2 ARG 81 8.731 8.362 -6.174 660 H LYS 82 H LYS 82 14.771 4.110 0.612 661 HA LYS 82 HA LYS 82 17.619 4.748 0.206 662 1HB LYS 82 HB2 LYS 82 15.931 5.676 2.533 663 2HB LYS 82 HB3 LYS 82 17.583 6.149 2.162 664 1HG LYS 82 HG2 LYS 82 16.794 7.256 0.118 665 2HG LYS 82 HG3 LYS 82 15.137 6.810 0.535 666 1HD LYS 82 HD2 LYS 82 15.338 8.095 2.624 667 2HD LYS 82 HD3 LYS 82 16.968 8.579 2.152 668 1HE LYS 82 HE2 LYS 82 16.049 9.658 0.145 669 2HE LYS 82 HE3 LYS 82 14.424 9.204 0.656 670 1HZ LYS 82 HZ1 LYS 82 16.272 10.982 2.154 671 2HZ LYS 82 HZ3 LYS 82 14.935 11.488 1.249 672 3HZ LYS 82 HZ2 LYS 82 14.710 10.551 2.640 673 H ARG 83 H ARG 83 18.705 4.425 2.574 674 HA ARG 83 HA ARG 83 17.969 1.693 3.401 675 1HB ARG 83 HB2 ARG 83 20.722 2.928 3.493 676 2HB ARG 83 HB3 ARG 83 20.301 1.255 3.826 677 1HG ARG 83 HG2 ARG 83 19.822 0.818 1.558 678 2HG ARG 83 HG3 ARG 83 19.844 2.536 1.149 679 1HD ARG 83 HD2 ARG 83 22.231 2.627 1.659 680 2HD ARG 83 HD3 ARG 83 22.213 0.913 2.069 681 HE ARG 83 HE ARG 83 21.253 0.970 -0.465 682 1HH1 ARG 83 1HH1 ARG 83 24.115 2.245 1.058 683 2HH1 ARG 83 2HH1 ARG 83 25.089 2.114 -0.368 684 1HH2 ARG 83 1HH2 ARG 83 22.527 0.795 -2.348 685 2HH2 ARG 83 2HH2 ARG 83 24.186 1.291 -2.305 686 H GLY 84 H GLY 84 17.982 1.193 5.581 687 1HA GLY 84 HA3 GLY 84 17.975 3.532 7.368 688 2HA GLY 84 HA2 GLY 84 18.919 2.115 7.804 689 H HIS 85 H HIS 85 16.258 3.614 8.655 690 HA HIS 85 HA HIS 85 14.853 1.110 9.283 691 1HB HIS 85 HB2 HIS 85 14.725 3.790 10.677 692 2HB HIS 85 HB3 HIS 85 13.847 2.343 11.161 693 HD1 HIS 85 HD1 HIS 85 17.089 4.036 11.500 694 HD2 HIS 85 HD2 HIS 85 15.538 0.241 12.178 695 HE1 HIS 85 HE1 HIS 85 18.772 2.872 12.962 696 HE2 HIS 85 HE2 HIS 85 17.771 0.608 13.429 697 H HIS 86 H HIS 86 13.592 0.913 7.458 698 HA HIS 86 HA HIS 86 11.670 3.078 6.933 699 1HB HIS 86 HB2 HIS 86 12.478 0.761 5.159 700 2HB HIS 86 HB3 HIS 86 11.328 2.025 4.734 701 HD1 HIS 86 HD1 HIS 86 14.218 3.337 6.539 702 HD2 HIS 86 HD2 HIS 86 13.224 2.522 2.590 703 HE1 HIS 86 HE1 HIS 86 15.896 4.593 5.152 704 HE2 HIS 86 HE2 HIS 86 15.197 4.181 2.768 705 H THR 87 H THR 87 9.457 2.329 6.264 706 HA THR 87 HA THR 87 8.613 -0.271 7.163 707 HB THR 87 HB THR 87 7.688 2.156 8.712 708 HG1 THR 87 HG1 THR 87 9.136 -0.097 9.673 709 1HG2 THR 87 1HG2 THR 87 6.979 -0.765 8.998 710 2HG2 THR 87 3HG2 THR 87 6.472 0.526 10.087 711 3HG2 THR 87 2HG2 THR 87 5.913 0.511 8.414 712 H LEU 88 H LEU 88 6.355 -0.685 6.778 713 HA LEU 88 HA LEU 88 5.124 1.207 4.887 714 1HB LEU 88 HB2 LEU 88 5.826 -0.756 3.695 715 2HB LEU 88 HB3 LEU 88 5.092 -1.806 4.888 716 HG LEU 88 HG LEU 88 2.854 -0.897 4.212 717 1HD1 LEU 88 2HD1 LEU 88 4.466 0.373 2.009 718 2HD1 LEU 88 1HD1 LEU 88 2.708 0.253 2.047 719 3HD1 LEU 88 3HD1 LEU 88 3.553 1.210 3.262 720 1HD2 LEU 88 1HD2 LEU 88 3.720 -3.034 3.368 721 2HD2 LEU 88 3HD2 LEU 88 2.697 -2.214 2.188 722 3HD2 LEU 88 2HD2 LEU 88 4.448 -2.184 2.008 723 H GLU 89 H GLU 89 3.944 2.216 6.532 724 HA GLU 89 HA GLU 89 2.319 0.810 8.368 725 1HB GLU 89 HB2 GLU 89 2.320 3.671 7.425 726 2HB GLU 89 HB3 GLU 89 1.244 3.074 8.679 727 1HG GLU 89 HG2 GLU 89 3.104 2.480 10.059 728 2HG GLU 89 HG3 GLU 89 4.242 2.933 8.793 729 H LEU 90 H LEU 90 0.937 -0.624 7.370 730 HA LEU 90 HA LEU 90 -1.056 0.559 5.553 731 1HB LEU 90 HB2 LEU 90 -0.150 -2.292 5.898 732 2HB LEU 90 HB3 LEU 90 -1.618 -1.874 5.042 733 HG LEU 90 HG LEU 90 1.176 -1.026 4.277 734 1HD1 LEU 90 2HD1 LEU 90 -0.734 -2.997 3.036 735 2HD1 LEU 90 1HD1 LEU 90 0.794 -2.476 2.326 736 3HD1 LEU 90 3HD1 LEU 90 0.786 -3.373 3.845 737 1HD2 LEU 90 1HD2 LEU 90 -1.469 -0.503 2.929 738 2HD2 LEU 90 3HD2 LEU 90 -0.428 0.697 3.695 739 3HD2 LEU 90 2HD2 LEU 90 0.115 -0.145 2.244 740 H VAL 91 H VAL 91 -3.074 0.794 6.241 741 HA VAL 91 HA VAL 91 -3.938 -0.728 8.606 742 HB VAL 91 HB VAL 91 -3.234 1.512 9.318 743 1HG1 VAL 91 3HG1 VAL 91 -5.302 2.470 7.343 744 2HG1 VAL 91 2HG1 VAL 91 -4.543 3.486 8.569 745 3HG1 VAL 91 1HG1 VAL 91 -3.562 2.760 7.296 746 1HG2 VAL 91 1HG2 VAL 91 -6.213 1.068 9.419 747 2HG2 VAL 91 3HG2 VAL 91 -5.012 0.465 10.561 748 3HG2 VAL 91 2HG2 VAL 91 -5.325 2.196 10.441 749 H TYR 92 H TYR 92 -6.232 -0.893 8.867 750 HA TYR 92 HA TYR 92 -7.694 -0.826 6.328 751 1HB TYR 92 HB2 TYR 92 -7.484 -2.924 7.837 752 2HB TYR 92 HB3 TYR 92 -8.652 -2.117 8.876 753 HD1 TYR 92 HD1 TYR 92 -10.609 -3.350 8.687 754 HD2 TYR 92 HD2 TYR 92 -8.494 -2.284 5.151 755 HE1 TYR 92 HE1 TYR 92 -12.443 -4.258 7.324 756 HE2 TYR 92 HE2 TYR 92 -10.323 -3.188 3.779 757 HH TYR 92 HH TYR 92 -12.154 -4.817 3.990 758 H THR 93 H THR 93 -8.222 1.375 6.268 759 HA THR 93 HA THR 93 -10.030 2.323 8.404 760 HB THR 93 HB THR 93 -7.964 3.575 8.451 761 HG1 THR 93 HG1 THR 93 -9.680 5.348 7.109 762 1HG2 THR 93 3HG2 THR 93 -8.395 3.629 5.513 763 2HG2 THR 93 2HG2 THR 93 -7.657 5.054 6.251 764 3HG2 THR 93 1HG2 THR 93 -6.899 3.469 6.435 765 H ARG 94 H ARG 94 -11.459 4.144 7.680 766 HA ARG 94 HA ARG 94 -12.616 3.498 5.063 767 1HB ARG 94 HB2 ARG 94 -13.788 5.010 7.406 768 2HB ARG 94 HB3 ARG 94 -14.625 4.683 5.895 769 1HG ARG 94 HG2 ARG 94 -14.430 2.268 6.341 770 2HG ARG 94 HG3 ARG 94 -13.671 2.642 7.889 771 1HD ARG 94 HD2 ARG 94 -16.045 2.160 8.169 772 2HD ARG 94 HD3 ARG 94 -15.676 3.830 8.601 773 HE ARG 94 HE ARG 94 -16.450 3.795 5.925 774 1HH1 ARG 94 1HH1 ARG 94 -17.829 3.162 9.062 775 2HH1 ARG 94 2HH1 ARG 94 -19.434 3.609 8.589 776 1HH2 ARG 94 1HH2 ARG 94 -18.560 4.386 5.294 777 2HH2 ARG 94 2HH2 ARG 94 -19.849 4.304 6.448 778 HA PRO 95 HA PRO 95 -10.244 7.240 3.823 779 1HB PRO 95 HB2 PRO 95 -11.875 6.497 1.422 780 2HB PRO 95 HB3 PRO 95 -10.196 7.041 1.511 781 1HG PRO 95 HG2 PRO 95 -10.756 4.461 1.181 782 2HG PRO 95 HG3 PRO 95 -9.430 4.969 2.241 783 1HD PRO 95 HD2 PRO 95 -12.110 3.901 2.943 784 2HD PRO 95 HD3 PRO 95 -10.570 3.760 3.811 785 H PHE 96 H PHE 96 -13.678 6.541 3.484 786 HA PHE 96 HA PHE 96 -14.467 9.200 2.884 787 1HB PHE 96 HB2 PHE 96 -16.029 6.831 3.920 788 2HB PHE 96 HB3 PHE 96 -16.730 8.317 3.313 789 HD1 PHE 96 HD1 PHE 96 -17.051 8.672 1.009 790 HD2 PHE 96 HD2 PHE 96 -14.707 5.386 2.360 791 HE1 PHE 96 HE1 PHE 96 -17.022 7.757 -1.275 792 HE2 PHE 96 HE2 PHE 96 -14.673 4.466 0.079 793 HZ PHE 96 HZ PHE 96 -15.833 5.652 -1.743 794 H GLU 97 H GLU 97 -14.311 7.254 5.837 795 HA GLU 97 HA GLU 97 -15.252 9.528 7.418 796 1HB GLU 97 HB2 GLU 97 -14.674 6.678 8.252 797 2HB GLU 97 HB3 GLU 97 -15.355 7.927 9.286 798 1HG GLU 97 HG2 GLU 97 -16.635 6.812 6.801 799 2HG GLU 97 HG3 GLU 97 -17.067 6.406 8.462 800 H GLY 98 H GLY 98 -12.818 7.052 8.166 801 1HA GLY 98 HA3 GLY 98 -11.209 8.975 9.580 802 2HA GLY 98 HA2 GLY 98 -10.479 8.451 8.068 803 H ILE 99 H ILE 99 -8.863 7.825 9.808 804 HA ILE 99 HA ILE 99 -9.124 4.965 10.173 805 HB ILE 99 HB ILE 99 -6.767 6.582 11.060 806 1HG1 ILE 99 2HG1 ILE 99 -6.977 5.520 8.263 807 2HG1 ILE 99 3HG1 ILE 99 -7.643 7.108 8.642 808 1HG2 ILE 99 1HG2 ILE 99 -7.274 3.761 10.163 809 2HG2 ILE 99 3HG2 ILE 99 -5.647 4.446 10.165 810 3HG2 ILE 99 2HG2 ILE 99 -6.559 4.334 11.671 811 1HD1 ILE 99 2HD1 ILE 99 -5.438 7.810 9.449 812 2HD1 ILE 99 1HD1 ILE 99 -4.787 6.230 9.012 813 3HD1 ILE 99 3HD1 ILE 99 -5.405 7.307 7.758 814 H LYS 100 H LYS 100 -8.807 3.885 12.161 815 HA LYS 100 HA LYS 100 -8.987 5.472 14.602 816 1HB LYS 100 HB2 LYS 100 -10.999 3.363 13.827 817 2HB LYS 100 HB3 LYS 100 -10.915 4.147 15.387 818 1HG LYS 100 HG2 LYS 100 -11.491 6.264 14.445 819 2HG LYS 100 HG3 LYS 100 -11.344 5.629 12.804 820 1HD LYS 100 HD2 LYS 100 -13.281 4.377 14.705 821 2HD LYS 100 HD3 LYS 100 -13.699 5.894 13.907 822 1HE LYS 100 HE2 LYS 100 -13.396 4.890 11.735 823 2HE LYS 100 HE3 LYS 100 -12.821 3.393 12.471 824 1HZ LYS 100 HZ1 LYS 100 -15.001 3.097 13.475 825 2HZ LYS 100 HZ3 LYS 100 -15.551 4.528 12.759 826 3HZ LYS 100 HZ2 LYS 100 -15.126 3.207 11.792 827 HA PRO 101 HA PRO 101 -6.543 2.370 16.539 828 1HB PRO 101 HB2 PRO 101 -8.528 2.085 18.711 829 2HB PRO 101 HB3 PRO 101 -6.845 2.612 18.790 830 1HG PRO 101 HG2 PRO 101 -8.860 4.348 19.096 831 2HG PRO 101 HG3 PRO 101 -7.368 4.803 18.255 832 1HD PRO 101 HD2 PRO 101 -10.039 4.057 17.120 833 2HD PRO 101 HD3 PRO 101 -8.912 5.329 16.610 834 H GLU 102 H GLU 102 -10.005 1.603 16.838 835 HA GLU 102 HA GLU 102 -9.760 -1.151 17.142 836 1HB GLU 102 HB2 GLU 102 -12.112 -1.238 16.291 837 2HB GLU 102 HB3 GLU 102 -11.849 -0.111 17.615 838 1HG GLU 102 HG2 GLU 102 -11.726 1.724 16.025 839 2HG GLU 102 HG3 GLU 102 -12.000 0.594 14.703 840 H ASN 103 H ASN 103 -9.618 0.839 14.293 841 HA ASN 103 HA ASN 103 -10.128 -1.003 12.287 842 1HB ASN 103 HB2 ASN 103 -8.197 1.316 12.369 843 2HB ASN 103 HB3 ASN 103 -8.522 0.393 10.907 844 1HD2 ASN 103 1HD2 ASN 103 -11.048 0.896 13.213 845 2HD2 ASN 103 2HD2 ASN 103 -11.943 2.049 12.292 846 H GLU 104 H GLU 104 -8.875 -2.446 11.100 847 HA GLU 104 HA GLU 104 -6.999 -3.957 12.504 848 1HB GLU 104 HB2 GLU 104 -8.189 -3.932 9.840 849 2HB GLU 104 HB3 GLU 104 -6.553 -4.561 9.863 850 1HG GLU 104 HG2 GLU 104 -7.885 -6.435 10.178 851 2HG GLU 104 HG3 GLU 104 -7.335 -6.025 11.800 852 H ARG 105 H ARG 105 -4.765 -4.439 11.736 853 HA ARG 105 HA ARG 105 -3.388 -2.035 10.743 854 1HB ARG 105 HB2 ARG 105 -3.190 -2.124 13.193 855 2HB ARG 105 HB3 ARG 105 -2.539 -3.748 13.088 856 1HG ARG 105 HG2 ARG 105 -0.595 -2.588 13.321 857 2HG ARG 105 HG3 ARG 105 -0.748 -2.554 11.560 858 1HD ARG 105 HD2 ARG 105 -0.223 -0.342 12.317 859 2HD ARG 105 HD3 ARG 105 -1.892 -0.364 11.744 860 HE ARG 105 HE ARG 105 -1.907 -0.869 14.490 861 1HH1 ARG 105 1HH1 ARG 105 -1.143 1.722 12.287 862 2HH1 ARG 105 2HH1 ARG 105 -1.544 2.973 13.415 863 1HH2 ARG 105 1HH2 ARG 105 -2.438 0.773 15.982 864 2HH2 ARG 105 2HH2 ARG 105 -2.280 2.434 15.516 865 H TYR 106 H TYR 106 -1.210 -2.459 9.954 866 HA TYR 106 HA TYR 106 -0.129 -5.023 9.582 867 1HB TYR 106 HB2 TYR 106 -2.044 -5.238 8.010 868 2HB TYR 106 HB3 TYR 106 -1.414 -3.870 7.094 869 HD1 TYR 106 HD1 TYR 106 -0.819 -7.356 8.096 870 HD2 TYR 106 HD2 TYR 106 0.411 -4.169 5.567 871 HE1 TYR 106 HE1 TYR 106 0.543 -8.924 6.797 872 HE2 TYR 106 HE2 TYR 106 1.782 -5.730 4.258 873 HH TYR 106 HH TYR 106 1.511 -9.099 4.538 874 H THR 107 H THR 107 1.372 -3.446 10.543 875 HA THR 107 HA THR 107 2.563 -1.537 8.694 876 HB THR 107 HB THR 107 3.715 -2.001 11.401 877 HG1 THR 107 HG1 THR 107 2.024 -0.902 12.386 878 1HG2 THR 107 3HG2 THR 107 4.472 -0.255 9.721 879 2HG2 THR 107 2HG2 THR 107 2.947 0.567 10.036 880 3HG2 THR 107 1HG2 THR 107 4.108 0.331 11.342 881 H LEU 108 H LEU 108 3.614 -2.865 7.193 882 HA LEU 108 HA LEU 108 5.378 -4.959 7.993 883 1HB LEU 108 HB2 LEU 108 4.300 -4.981 5.808 884 2HB LEU 108 HB3 LEU 108 5.131 -3.508 5.360 885 HG LEU 108 HG LEU 108 7.257 -4.635 5.314 886 1HD1 LEU 108 1HD1 LEU 108 5.782 -7.068 6.309 887 2HD1 LEU 108 3HD1 LEU 108 7.470 -7.025 5.798 888 3HD1 LEU 108 2HD1 LEU 108 6.955 -6.114 7.218 889 1HD2 LEU 108 1HD2 LEU 108 5.146 -6.280 3.935 890 2HD2 LEU 108 3HD2 LEU 108 5.907 -4.818 3.308 891 3HD2 LEU 108 2HD2 LEU 108 6.866 -6.279 3.548 892 H HIS 109 H HIS 109 6.903 -4.197 9.399 893 HA HIS 109 HA HIS 109 8.487 -1.876 8.787 894 1HB HIS 109 HB2 HIS 109 8.440 -3.866 11.005 895 2HB HIS 109 HB3 HIS 109 9.828 -2.805 10.811 896 HD1 HIS 109 HD1 HIS 109 9.609 -0.476 11.706 897 HD2 HIS 109 HD2 HIS 109 5.961 -2.452 11.492 898 HE1 HIS 109 HE1 HIS 109 7.959 1.033 12.857 899 HE2 HIS 109 HE2 HIS 109 5.778 -0.225 12.793 900 H LEU 110 H LEU 110 10.640 -1.811 8.252 901 HA LEU 110 HA LEU 110 11.988 -4.272 7.483 902 1HB LEU 110 HB2 LEU 110 11.453 -2.015 5.551 903 2HB LEU 110 HB3 LEU 110 12.492 -3.386 5.228 904 HG LEU 110 HG LEU 110 9.528 -3.593 5.783 905 1HD1 LEU 110 2HD1 LEU 110 11.007 -3.615 3.157 906 2HD1 LEU 110 1HD1 LEU 110 9.298 -3.992 3.373 907 3HD1 LEU 110 3HD1 LEU 110 9.895 -2.370 3.723 908 1HD2 LEU 110 1HD2 LEU 110 11.014 -5.579 6.272 909 2HD2 LEU 110 3HD2 LEU 110 9.695 -5.851 5.133 910 3HD2 LEU 110 2HD2 LEU 110 11.342 -5.640 4.539 911 H ASN 111 H ASN 111 13.851 -4.062 8.578 912 HA ASN 111 HA ASN 111 15.091 -1.484 8.969 913 1HB ASN 111 HB2 ASN 111 15.177 -3.153 10.767 914 2HB ASN 111 HB3 ASN 111 16.033 -4.266 9.708 915 1HD2 ASN 111 1HD2 ASN 111 16.653 -0.850 9.699 916 2HD2 ASN 111 2HD2 ASN 111 18.221 -0.927 10.419 917 H VAL 112 H VAL 112 15.154 -1.227 6.586 918 HA VAL 112 HA VAL 112 16.595 -2.693 4.780 919 HB VAL 112 HB VAL 112 16.836 0.286 4.676 920 1HG1 VAL 112 3HG1 VAL 112 17.728 -1.100 2.864 921 2HG1 VAL 112 2HG1 VAL 112 16.126 -1.795 2.618 922 3HG1 VAL 112 1HG1 VAL 112 16.399 -0.080 2.313 923 1HG2 VAL 112 1HG2 VAL 112 14.276 -1.277 4.451 924 2HG2 VAL 112 3HG2 VAL 112 14.616 0.125 5.467 925 3HG2 VAL 112 2HG2 VAL 112 14.494 0.312 3.718 926 H LYS 113 H LYS 113 18.632 -3.370 4.778 927 HA LYS 113 HA LYS 113 20.636 -2.081 6.410 928 1HB LYS 113 HB2 LYS 113 20.700 -4.523 4.638 929 2HB LYS 113 HB3 LYS 113 22.090 -3.946 5.546 930 1HG LYS 113 HG2 LYS 113 19.478 -4.626 6.855 931 2HG LYS 113 HG3 LYS 113 20.754 -5.815 6.589 932 1HD LYS 113 HD2 LYS 113 22.305 -4.453 7.895 933 2HD LYS 113 HD3 LYS 113 21.044 -3.244 8.143 934 1HE LYS 113 HE2 LYS 113 21.303 -4.706 10.092 935 2HE LYS 113 HE3 LYS 113 19.704 -4.854 9.364 936 1HZ LYS 113 HZ2 LYS 113 21.966 -6.736 8.962 937 2HZ LYS 113 HZ1 LYS 113 20.614 -7.013 9.940 938 3HZ LYS 113 HZ3 LYS 113 20.432 -6.878 8.263 No H/Q in entry = 938 Start of MODEL 22 1 H1 GLY -2 HT2 GLY -2 -19.938 -17.711 22.181 2 H2 GLY -2 HT1 GLY -2 -20.666 -17.202 23.620 3 H3 GLY -2 HT3 GLY -2 -21.474 -17.003 22.146 4 1HA GLY -2 HA2 GLY -2 -20.568 -14.899 22.894 5 2HA GLY -2 HA3 GLY -2 -19.815 -15.427 21.397 6 H SER -1 H SER -1 -18.525 -17.532 23.389 7 HA SER -1 HA SER -1 -16.456 -15.742 24.460 8 1HB SER -1 HB2 SER -1 -15.803 -17.657 25.881 9 2HB SER -1 HB3 SER -1 -17.497 -17.220 26.110 10 HG SER -1 HG SER -1 -16.566 -19.575 25.512 11 H HIS 0 H HIS 0 -14.652 -15.550 23.335 12 HA HIS 0 HA HIS 0 -12.911 -15.965 21.935 13 1HB HIS 0 HB2 HIS 0 -13.451 -18.842 22.698 14 2HB HIS 0 HB3 HIS 0 -11.994 -18.255 21.903 15 HD1 HIS 0 HD1 HIS 0 -13.532 -18.697 25.203 16 HD2 HIS 0 HD2 HIS 0 -10.366 -16.553 23.576 17 HE1 HIS 0 HE1 HIS 0 -12.126 -17.983 27.162 18 HE2 HIS 0 HE2 HIS 0 -10.173 -16.757 26.147 19 H MET 1 H MET 1 -13.631 -15.336 19.966 20 HA MET 1 HA MET 1 -15.052 -17.327 18.329 21 1HB MET 1 HB2 MET 1 -14.868 -14.328 17.992 22 2HB MET 1 HB3 MET 1 -15.733 -15.416 16.914 23 1HG MET 1 HG2 MET 1 -17.215 -16.052 18.752 24 2HG MET 1 HG3 MET 1 -16.352 -14.949 19.823 25 1HE MET 1 HE3 MET 1 -15.779 -12.481 17.902 26 2HE MET 1 HE2 MET 1 -17.180 -11.465 18.240 27 3HE MET 1 HE1 MET 1 -16.366 -12.310 19.557 28 H ILE 2 H ILE 2 -14.458 -17.505 16.072 29 HA ILE 2 HA ILE 2 -11.575 -17.354 15.729 30 HB ILE 2 HB ILE 2 -12.717 -19.441 15.142 31 1HG1 ILE 2 2HG1 ILE 2 -11.638 -18.041 12.685 32 2HG1 ILE 2 3HG1 ILE 2 -10.640 -18.747 13.953 33 1HG2 ILE 2 3HG2 ILE 2 -14.861 -18.510 14.460 34 2HG2 ILE 2 2HG2 ILE 2 -14.110 -17.798 13.032 35 3HG2 ILE 2 1HG2 ILE 2 -14.201 -19.551 13.199 36 1HD1 ILE 2 3HD1 ILE 2 -11.563 -20.950 13.447 37 2HD1 ILE 2 2HD1 ILE 2 -12.545 -20.239 12.166 38 3HD1 ILE 2 1HD1 ILE 2 -10.786 -20.222 12.042 39 H ALA 3 H ALA 3 -14.468 -15.816 14.568 40 HA ALA 3 HA ALA 3 -13.512 -14.698 12.187 41 1HB ALA 3 HB1 ALA 3 -15.879 -14.728 12.800 42 2HB ALA 3 HB3 ALA 3 -15.562 -13.561 14.084 43 3HB ALA 3 HB2 ALA 3 -15.339 -13.098 12.397 44 HA PRO 4 HA PRO 4 -10.407 -11.868 13.691 45 1HB PRO 4 HB2 PRO 4 -11.020 -10.412 11.177 46 2HB PRO 4 HB3 PRO 4 -9.472 -11.015 11.780 47 1HG PRO 4 HG2 PRO 4 -10.727 -12.243 9.775 48 2HG PRO 4 HG3 PRO 4 -9.866 -13.169 11.017 49 1HD PRO 4 HD2 PRO 4 -12.804 -12.703 10.691 50 2HD PRO 4 HD3 PRO 4 -11.945 -14.175 11.191 51 H LEU 5 H LEU 5 -10.571 -10.159 15.002 52 HA LEU 5 HA LEU 5 -12.501 -8.050 14.441 53 1HB LEU 5 HB2 LEU 5 -13.730 -9.654 15.831 54 2HB LEU 5 HB3 LEU 5 -12.467 -9.580 17.043 55 HG LEU 5 HG LEU 5 -12.992 -7.166 17.374 56 1HD1 LEU 5 1HD1 LEU 5 -13.972 -6.711 15.189 57 2HD1 LEU 5 3HD1 LEU 5 -15.328 -7.775 15.568 58 3HD1 LEU 5 2HD1 LEU 5 -15.090 -6.289 16.486 59 1HD2 LEU 5 3HD2 LEU 5 -15.285 -9.082 17.772 60 2HD2 LEU 5 2HD2 LEU 5 -13.915 -8.857 18.860 61 3HD2 LEU 5 1HD2 LEU 5 -15.068 -7.545 18.611 62 H SER 6 H SER 6 -10.222 -9.212 16.926 63 HA SER 6 HA SER 6 -9.032 -6.516 16.951 64 1HB SER 6 HB2 SER 6 -10.241 -6.929 19.043 65 2HB SER 6 HB3 SER 6 -9.336 -8.423 19.285 66 HG SER 6 HG SER 6 -8.666 -6.034 20.094 67 H VAL 7 H VAL 7 -8.497 -9.982 17.214 68 HA VAL 7 HA VAL 7 -5.600 -9.614 17.154 69 HB VAL 7 HB VAL 7 -7.169 -12.195 17.268 70 1HG1 VAL 7 1HG1 VAL 7 -4.895 -12.467 16.438 71 2HG1 VAL 7 3HG1 VAL 7 -4.267 -11.599 17.839 72 3HG1 VAL 7 2HG1 VAL 7 -5.059 -13.161 18.050 73 1HG2 VAL 7 3HG2 VAL 7 -5.949 -10.584 19.508 74 2HG2 VAL 7 2HG2 VAL 7 -7.669 -10.832 19.214 75 3HG2 VAL 7 1HG2 VAL 7 -6.649 -12.196 19.669 76 H LYS 8 H LYS 8 -4.382 -9.886 15.381 77 HA LYS 8 HA LYS 8 -4.993 -11.576 13.221 78 1HB LYS 8 HB2 LYS 8 -6.721 -9.864 12.774 79 2HB LYS 8 HB3 LYS 8 -5.467 -8.637 12.694 80 1HG LYS 8 HG2 LYS 8 -6.114 -9.258 10.471 81 2HG LYS 8 HG3 LYS 8 -4.471 -9.825 10.776 82 1HD LYS 8 HD2 LYS 8 -5.330 -12.071 11.235 83 2HD LYS 8 HD3 LYS 8 -6.973 -11.504 10.930 84 1HE LYS 8 HE2 LYS 8 -6.355 -10.950 8.630 85 2HE LYS 8 HE3 LYS 8 -4.711 -11.508 8.935 86 1HZ LYS 8 HZ1 LYS 8 -5.584 -13.723 9.358 87 2HZ LYS 8 HZ3 LYS 8 -7.159 -13.185 9.057 88 3HZ LYS 8 HZ2 LYS 8 -6.016 -13.195 7.810 89 H ASP 9 H ASP 9 -3.187 -11.929 12.062 90 HA ASP 9 HA ASP 9 -0.754 -10.742 12.896 91 1HB ASP 9 HB2 ASP 9 -1.128 -12.363 10.391 92 2HB ASP 9 HB3 ASP 9 0.296 -12.246 11.410 93 H ASN 10 H ASN 10 -0.706 -8.575 12.471 94 HA ASN 10 HA ASN 10 -0.770 -7.791 9.645 95 1HB ASN 10 HB2 ASN 10 -1.258 -5.455 10.907 96 2HB ASN 10 HB3 ASN 10 -2.524 -6.532 10.328 97 1HD2 ASN 10 1HD2 ASN 10 -4.029 -6.010 11.842 98 2HD2 ASN 10 2HD2 ASN 10 -3.862 -6.360 13.524 99 H ASP 11 H ASP 11 0.856 -7.589 12.686 100 HA ASP 11 HA ASP 11 2.755 -5.629 11.760 101 1HB ASP 11 HB2 ASP 11 3.786 -5.970 13.998 102 2HB ASP 11 HB3 ASP 11 2.096 -5.490 14.064 103 H LYS 12 H LYS 12 3.990 -6.450 10.172 104 HA LYS 12 HA LYS 12 5.524 -8.888 10.754 105 1HB LYS 12 HB2 LYS 12 4.231 -9.180 8.737 106 2HB LYS 12 HB3 LYS 12 4.766 -7.625 8.111 107 1HG LYS 12 HG2 LYS 12 7.088 -8.527 8.107 108 2HG LYS 12 HG3 LYS 12 6.414 -10.109 8.497 109 1HD LYS 12 HD2 LYS 12 5.263 -10.233 6.440 110 2HD LYS 12 HD3 LYS 12 5.519 -8.517 6.107 111 1HE LYS 12 HE2 LYS 12 7.027 -9.777 4.737 112 2HE LYS 12 HE3 LYS 12 7.964 -8.970 5.995 113 1HZ LYS 12 HZ3 LYS 12 8.010 -11.041 7.238 114 2HZ LYS 12 HZ2 LYS 12 7.111 -11.815 6.033 115 3HZ LYS 12 HZ1 LYS 12 8.671 -11.258 5.696 116 H TRP 13 H TRP 13 6.849 -7.520 12.088 117 HA TRP 13 HA TRP 13 8.397 -5.448 10.826 118 1HB TRP 13 HB2 TRP 13 8.550 -6.562 13.638 119 2HB TRP 13 HB3 TRP 13 9.212 -5.038 13.073 120 HD1 TRP 13 HD1 TRP 13 5.780 -5.679 11.723 121 HE1 TRP 13 HE1 TRP 13 4.058 -4.216 12.923 122 HE3 TRP 13 HE3 TRP 13 8.679 -4.002 15.601 123 HZ2 TRP 13 HZ2 TRP 13 3.905 -2.574 15.184 124 HZ3 TRP 13 HZ3 TRP 13 7.653 -2.482 17.245 125 HH2 TRP 13 HH2 TRP 13 5.320 -1.785 17.043 126 H VAL 14 H VAL 14 10.074 -6.052 9.549 127 HA VAL 14 HA VAL 14 12.012 -7.956 10.645 128 HB VAL 14 HB VAL 14 12.104 -9.261 8.539 129 1HG1 VAL 14 2HG1 VAL 14 10.909 -10.137 10.472 130 2HG1 VAL 14 1HG1 VAL 14 9.439 -9.316 9.947 131 3HG1 VAL 14 3HG1 VAL 14 10.117 -10.620 8.972 132 1HG2 VAL 14 2HG2 VAL 14 9.557 -7.786 7.883 133 2HG2 VAL 14 1HG2 VAL 14 11.099 -7.635 7.039 134 3HG2 VAL 14 3HG2 VAL 14 10.210 -9.157 6.985 135 H ASP 15 H ASP 15 13.642 -8.377 8.600 136 HA ASP 15 HA ASP 15 14.726 -5.720 8.063 137 1HB ASP 15 HB2 ASP 15 16.839 -6.789 7.785 138 2HB ASP 15 HB3 ASP 15 16.081 -7.500 9.211 139 H THR 16 H THR 16 16.134 -5.758 5.913 140 HA THR 16 HA THR 16 15.178 -7.255 3.710 141 HB THR 16 HB THR 16 13.225 -5.635 4.298 142 HG1 THR 16 HG1 THR 16 14.249 -6.535 1.931 143 1HG2 THR 16 1HG2 THR 16 14.623 -3.608 4.431 144 2HG2 THR 16 3HG2 THR 16 15.006 -3.781 2.718 145 3HG2 THR 16 2HG2 THR 16 13.347 -3.463 3.223 146 H HIS 17 H HIS 17 15.613 -5.784 1.574 147 HA HIS 17 HA HIS 17 18.245 -4.517 1.954 148 1HB HIS 17 HB2 HIS 17 17.380 -6.202 -0.407 149 2HB HIS 17 HB3 HIS 17 18.956 -5.447 -0.186 150 HD1 HIS 17 HD1 HIS 17 16.943 -8.399 0.820 151 HD2 HIS 17 HD2 HIS 17 20.631 -6.708 1.715 152 HE1 HIS 17 HE1 HIS 17 18.212 -10.177 2.064 153 HE2 HIS 17 HE2 HIS 17 20.406 -9.098 2.676 154 H VAL 18 H VAL 18 18.704 -3.453 -0.485 155 HA VAL 18 HA VAL 18 16.896 -1.247 -0.520 156 HB VAL 18 HB VAL 18 19.024 -1.873 -2.564 157 1HG1 VAL 18 3HG1 VAL 18 17.667 0.699 -1.754 158 2HG1 VAL 18 2HG1 VAL 18 19.039 0.586 -2.856 159 3HG1 VAL 18 1HG1 VAL 18 17.496 -0.149 -3.290 160 1HG2 VAL 18 3HG2 VAL 18 19.243 -0.389 0.051 161 2HG2 VAL 18 2HG2 VAL 18 20.029 -1.911 -0.369 162 3HG2 VAL 18 1HG2 VAL 18 20.487 -0.423 -1.199 163 H GLY 19 H GLY 19 15.260 -0.765 -1.808 164 1HA GLY 19 HA3 GLY 19 14.793 -1.598 -4.418 165 2HA GLY 19 HA2 GLY 19 13.569 -1.001 -3.317 166 H LYS 20 H LYS 20 14.427 -3.464 -1.563 167 HA LYS 20 HA LYS 20 13.697 -5.778 -2.935 168 1HB LYS 20 HB2 LYS 20 14.567 -5.305 -0.447 169 2HB LYS 20 HB3 LYS 20 12.867 -5.525 -0.095 170 1HG LYS 20 HG2 LYS 20 13.799 -7.636 0.178 171 2HG LYS 20 HG3 LYS 20 13.045 -7.693 -1.421 172 1HD LYS 20 HD2 LYS 20 15.101 -7.453 -2.517 173 2HD LYS 20 HD3 LYS 20 15.898 -6.901 -1.046 174 1HE LYS 20 HE2 LYS 20 15.652 -9.138 -0.076 175 2HE LYS 20 HE3 LYS 20 14.844 -9.685 -1.545 176 1HZ LYS 20 HZ3 LYS 20 16.869 -9.229 -2.783 177 2HZ LYS 20 HZ2 LYS 20 17.643 -8.707 -1.373 178 3HZ LYS 20 HZ1 LYS 20 17.171 -10.324 -1.528 179 H THR 21 H THR 21 11.968 -5.241 -4.302 180 HA THR 21 HA THR 21 9.562 -4.065 -3.546 181 HB THR 21 HB THR 21 9.701 -6.188 -5.672 182 HG1 THR 21 HG1 THR 21 11.514 -4.727 -5.871 183 1HG2 THR 21 3HG2 THR 21 7.523 -5.147 -5.155 184 2HG2 THR 21 2HG2 THR 21 8.217 -3.562 -5.500 185 3HG2 THR 21 1HG2 THR 21 8.077 -4.761 -6.785 186 H THR 22 H THR 22 8.517 -4.781 -1.785 187 HA THR 22 HA THR 22 7.976 -7.648 -1.518 188 HB THR 22 HB THR 22 7.583 -5.372 0.437 189 HG1 THR 22 HG1 THR 22 9.457 -5.997 1.250 190 1HG2 THR 22 1HG2 THR 22 5.870 -7.114 0.739 191 2HG2 THR 22 3HG2 THR 22 7.141 -8.330 0.859 192 3HG2 THR 22 2HG2 THR 22 7.006 -7.070 2.088 193 H GLU 23 H GLU 23 6.321 -8.147 -2.810 194 HA GLU 23 HA GLU 23 4.057 -6.488 -3.232 195 1HB GLU 23 HB2 GLU 23 4.966 -8.227 -4.816 196 2HB GLU 23 HB3 GLU 23 4.304 -9.451 -3.743 197 1HG GLU 23 HG2 GLU 23 2.067 -8.705 -4.147 198 2HG GLU 23 HG3 GLU 23 2.659 -7.293 -5.025 199 H ILE 24 H ILE 24 2.202 -6.381 -2.172 200 HA ILE 24 HA ILE 24 1.649 -8.417 -0.122 201 HB ILE 24 HB ILE 24 1.071 -5.483 0.153 202 1HG1 ILE 24 2HG1 ILE 24 3.255 -7.115 1.459 203 2HG1 ILE 24 3HG1 ILE 24 3.500 -5.924 0.185 204 1HG2 ILE 24 2HG2 ILE 24 -0.462 -6.942 1.366 205 2HG2 ILE 24 1HG2 ILE 24 0.904 -7.742 2.141 206 3HG2 ILE 24 3HG2 ILE 24 0.569 -6.044 2.479 207 1HD1 ILE 24 3HD1 ILE 24 2.592 -4.193 1.702 208 2HD1 ILE 24 2HD1 ILE 24 2.526 -5.406 2.979 209 3HD1 ILE 24 1HD1 ILE 24 4.078 -4.945 2.281 210 H HIS 25 H HIS 25 0.205 -9.437 -1.552 211 HA HIS 25 HA HIS 25 -2.094 -7.966 -2.529 212 1HB HIS 25 HB2 HIS 25 -1.091 -10.774 -2.831 213 2HB HIS 25 HB3 HIS 25 -2.764 -10.405 -3.209 214 HD1 HIS 25 HD1 HIS 25 -2.531 -10.798 -5.715 215 HD2 HIS 25 HD2 HIS 25 0.107 -7.950 -4.236 216 HE1 HIS 25 HE1 HIS 25 -1.523 -9.701 -7.740 217 HE2 HIS 25 HE2 HIS 25 0.142 -8.049 -6.820 218 H LEU 26 H LEU 26 -3.568 -7.457 -1.044 219 HA LEU 26 HA LEU 26 -4.102 -9.375 1.125 220 1HB LEU 26 HB2 LEU 26 -5.008 -6.515 0.889 221 2HB LEU 26 HB3 LEU 26 -5.122 -7.536 2.306 222 HG LEU 26 HG LEU 26 -2.477 -6.768 1.085 223 1HD1 LEU 26 2HD1 LEU 26 -3.676 -4.726 1.686 224 2HD1 LEU 26 1HD1 LEU 26 -3.964 -5.370 3.303 225 3HD1 LEU 26 3HD1 LEU 26 -2.319 -5.020 2.775 226 1HD2 LEU 26 3HD2 LEU 26 -2.458 -8.703 2.570 227 2HD2 LEU 26 2HD2 LEU 26 -1.623 -7.333 3.303 228 3HD2 LEU 26 1HD2 LEU 26 -3.253 -7.754 3.827 229 H LYS 27 H LYS 27 -6.465 -9.247 1.919 230 HA LYS 27 HA LYS 27 -8.258 -9.418 -0.413 231 1HB LYS 27 HB2 LYS 27 -8.662 -10.992 2.115 232 2HB LYS 27 HB3 LYS 27 -9.368 -11.266 0.531 233 1HG LYS 27 HG2 LYS 27 -7.189 -11.950 -0.334 234 2HG LYS 27 HG3 LYS 27 -6.476 -11.678 1.258 235 1HD LYS 27 HD2 LYS 27 -7.948 -13.386 2.210 236 2HD LYS 27 HD3 LYS 27 -8.660 -13.659 0.617 237 1HE LYS 27 HE2 LYS 27 -6.984 -15.354 1.136 238 2HE LYS 27 HE3 LYS 27 -6.491 -14.369 -0.241 239 1HZ LYS 27 HZ1 LYS 27 -5.533 -14.035 2.550 240 2HZ LYS 27 HZ3 LYS 27 -4.658 -14.740 1.286 241 3HZ LYS 27 HZ2 LYS 27 -5.056 -13.097 1.226 242 H GLY 28 H GLY 28 -10.557 -9.015 0.115 243 1HA GLY 28 HA3 GLY 28 -10.710 -6.745 1.952 244 2HA GLY 28 HA2 GLY 28 -11.801 -8.085 2.238 245 H ASN 29 H ASN 29 -12.743 -5.537 1.776 246 HA ASN 29 HA ASN 29 -13.439 -5.163 -0.975 247 1HB ASN 29 HB2 ASN 29 -14.926 -7.050 -0.391 248 2HB ASN 29 HB3 ASN 29 -15.611 -6.091 0.918 249 1HD2 ASN 29 1HD2 ASN 29 -17.665 -6.260 0.007 250 2HD2 ASN 29 2HD2 ASN 29 -18.124 -5.339 -1.382 251 HA PRO 30 HA PRO 30 -13.637 -1.132 0.988 252 1HB PRO 30 HB2 PRO 30 -14.244 0.285 -1.259 253 2HB PRO 30 HB3 PRO 30 -12.611 -0.266 -0.868 254 1HG PRO 30 HG2 PRO 30 -14.631 -1.480 -2.715 255 2HG PRO 30 HG3 PRO 30 -12.889 -1.254 -2.956 256 1HD PRO 30 HD2 PRO 30 -13.937 -3.632 -2.243 257 2HD PRO 30 HD3 PRO 30 -12.344 -3.096 -1.671 258 H THR 31 H THR 31 -16.153 -2.440 -1.103 259 HA THR 31 HA THR 31 -18.128 -0.535 -0.199 260 HB THR 31 HB THR 31 -19.713 -1.860 -1.561 261 HG1 THR 31 HG1 THR 31 -18.701 -3.913 -1.307 262 1HG2 THR 31 1HG2 THR 31 -17.127 -1.184 -2.969 263 2HG2 THR 31 3HG2 THR 31 -18.700 -1.382 -3.744 264 3HG2 THR 31 2HG2 THR 31 -18.436 -0.058 -2.609 265 H THR 32 H THR 32 -16.740 -2.627 1.599 266 HA THR 32 HA THR 32 -19.214 -3.489 2.919 267 HB THR 32 HB THR 32 -16.823 -5.232 2.337 268 HG1 THR 32 HG1 THR 32 -19.510 -5.136 1.556 269 1HG2 THR 32 1HG2 THR 32 -19.100 -5.747 4.254 270 2HG2 THR 32 3HG2 THR 32 -17.920 -6.949 3.733 271 3HG2 THR 32 2HG2 THR 32 -17.398 -5.553 4.674 272 H GLY 33 H GLY 33 -15.694 -3.775 3.490 273 1HA GLY 33 HA3 GLY 33 -14.785 -3.753 5.707 274 2HA GLY 33 HA2 GLY 33 -16.174 -2.813 6.227 275 H TYR 34 H TYR 34 -12.966 -2.664 5.624 276 HA TYR 34 HA TYR 34 -13.072 0.240 5.135 277 1HB TYR 34 HB2 TYR 34 -11.031 -1.333 6.722 278 2HB TYR 34 HB3 TYR 34 -11.003 0.406 6.463 279 HD1 TYR 34 HD1 TYR 34 -13.443 -2.158 7.696 280 HD2 TYR 34 HD2 TYR 34 -11.708 1.694 8.246 281 HE1 TYR 34 HE1 TYR 34 -14.794 -1.841 9.724 282 HE2 TYR 34 HE2 TYR 34 -13.059 2.016 10.272 283 HH TYR 34 HH TYR 34 -14.734 -0.511 11.790 284 H MET 35 H MET 35 -10.440 0.767 4.689 285 HA MET 35 HA MET 35 -9.854 -0.711 2.224 286 1HB MET 35 HB2 MET 35 -10.259 1.424 1.451 287 2HB MET 35 HB3 MET 35 -9.725 2.177 2.943 288 1HG MET 35 HG2 MET 35 -7.391 1.597 2.342 289 2HG MET 35 HG3 MET 35 -7.990 0.993 0.813 290 1HE MET 35 HE3 MET 35 -10.109 2.857 -0.229 291 2HE MET 35 HE2 MET 35 -9.211 4.132 -1.054 292 3HE MET 35 HE1 MET 35 -8.706 2.450 -1.217 293 H TRP 36 H TRP 36 -7.697 -1.141 1.731 294 HA TRP 36 HA TRP 36 -5.890 -1.132 4.043 295 1HB TRP 36 HB2 TRP 36 -6.181 -2.896 1.649 296 2HB TRP 36 HB3 TRP 36 -4.640 -2.783 2.466 297 HD1 TRP 36 HD1 TRP 36 -7.922 -4.529 2.627 298 HE1 TRP 36 HE1 TRP 36 -8.045 -5.985 4.747 299 HE3 TRP 36 HE3 TRP 36 -3.821 -2.730 5.075 300 HZ2 TRP 36 HZ2 TRP 36 -6.586 -6.324 7.143 301 HZ3 TRP 36 HZ3 TRP 36 -3.248 -3.669 7.267 302 HH2 TRP 36 HH2 TRP 36 -4.604 -5.429 8.285 303 H THR 37 H THR 37 -4.825 0.797 3.914 304 HA THR 37 HA THR 37 -3.060 1.142 1.618 305 HB THR 37 HB THR 37 -4.980 2.442 0.947 306 HG1 THR 37 HG1 THR 37 -3.822 4.675 1.365 307 1HG2 THR 37 2HG2 THR 37 -5.930 2.714 3.215 308 2HG2 THR 37 1HG2 THR 37 -4.692 3.919 3.561 309 3HG2 THR 37 3HG2 THR 37 -5.890 4.223 2.304 310 H ARG 38 H ARG 38 -1.778 3.450 2.179 311 HA ARG 38 HA ARG 38 -0.480 2.835 4.690 312 1HB ARG 38 HB2 ARG 38 0.164 4.504 2.315 313 2HB ARG 38 HB3 ARG 38 0.890 4.967 3.841 314 1HG ARG 38 HG2 ARG 38 2.019 2.944 4.061 315 2HG ARG 38 HG3 ARG 38 1.072 2.191 2.775 316 1HD ARG 38 HD2 ARG 38 3.442 2.948 2.235 317 2HD ARG 38 HD3 ARG 38 2.187 3.361 1.103 318 HE ARG 38 HE ARG 38 2.295 5.620 1.946 319 1HH1 ARG 38 1HH1 ARG 38 4.820 3.474 3.024 320 2HH1 ARG 38 2HH1 ARG 38 5.956 4.746 3.323 321 1HH2 ARG 38 1HH2 ARG 38 3.807 7.306 2.315 322 2HH2 ARG 38 2HH2 ARG 38 5.380 6.919 2.925 323 H VAL 39 H VAL 39 0.014 4.450 6.295 324 HA VAL 39 HA VAL 39 -2.253 5.691 7.334 325 HB VAL 39 HB VAL 39 0.585 6.461 7.996 326 1HG1 VAL 39 1HG1 VAL 39 -1.953 6.512 9.623 327 2HG1 VAL 39 3HG1 VAL 39 -0.346 6.931 10.215 328 3HG1 VAL 39 2HG1 VAL 39 -1.108 7.912 8.964 329 1HG2 VAL 39 1HG2 VAL 39 0.308 4.015 8.022 330 2HG2 VAL 39 3HG2 VAL 39 0.594 4.680 9.629 331 3HG2 VAL 39 2HG2 VAL 39 -1.032 4.197 9.153 332 H GLY 40 H GLY 40 -3.189 7.615 7.092 333 1HA GLY 40 HA3 GLY 40 -1.730 9.960 6.300 334 2HA GLY 40 HA2 GLY 40 -3.456 9.857 6.604 335 H PHE 41 H PHE 41 -1.519 8.023 4.279 336 HA PHE 41 HA PHE 41 -2.293 9.579 2.033 337 1HB PHE 41 HB2 PHE 41 -1.251 6.743 2.078 338 2HB PHE 41 HB3 PHE 41 -1.221 7.853 0.710 339 HD1 PHE 41 HD1 PHE 41 0.139 9.988 0.948 340 HD2 PHE 41 HD2 PHE 41 0.477 6.697 3.616 341 HE1 PHE 41 HE1 PHE 41 2.320 10.839 1.708 342 HE2 PHE 41 HE2 PHE 41 2.660 7.536 4.385 343 HZ PHE 41 HZ PHE 41 3.584 9.612 3.431 344 H VAL 42 H VAL 42 -4.044 7.517 3.932 345 HA VAL 42 HA VAL 42 -5.552 5.935 2.279 346 HB VAL 42 HB VAL 42 -6.719 7.561 4.534 347 1HG1 VAL 42 3HG1 VAL 42 -8.277 6.289 3.056 348 2HG1 VAL 42 2HG1 VAL 42 -7.454 4.812 3.556 349 3HG1 VAL 42 1HG1 VAL 42 -8.306 5.793 4.748 350 1HG2 VAL 42 2HG2 VAL 42 -4.554 6.373 5.083 351 2HG2 VAL 42 1HG2 VAL 42 -5.948 5.961 6.078 352 3HG2 VAL 42 3HG2 VAL 42 -5.424 4.868 4.802 353 H GLY 43 H GLY 43 -6.750 6.317 0.541 354 1HA GLY 43 HA3 GLY 43 -8.346 8.769 0.401 355 2HA GLY 43 HA2 GLY 43 -8.548 7.344 -0.607 356 H LYS 44 H LYS 44 -5.467 8.906 -0.004 357 HA LYS 44 HA LYS 44 -5.405 10.551 -2.283 358 1HB LYS 44 HB2 LYS 44 -3.144 9.312 -0.707 359 2HB LYS 44 HB3 LYS 44 -2.956 10.590 -1.894 360 1HG LYS 44 HG2 LYS 44 -4.435 12.024 -0.509 361 2HG LYS 44 HG3 LYS 44 -4.452 10.749 0.712 362 1HD LYS 44 HD2 LYS 44 -2.806 12.381 1.337 363 2HD LYS 44 HD3 LYS 44 -1.972 10.910 0.831 364 1HE LYS 44 HE2 LYS 44 -0.883 12.900 -0.070 365 2HE LYS 44 HE3 LYS 44 -1.542 11.891 -1.357 366 1HZ LYS 44 HZ1 LYS 44 -2.817 14.340 -0.261 367 2HZ LYS 44 HZ3 LYS 44 -2.003 14.229 -1.741 368 3HZ LYS 44 HZ2 LYS 44 -3.442 13.374 -1.501 369 H ASP 45 H ASP 45 -3.640 10.231 -4.005 370 HA ASP 45 HA ASP 45 -4.256 7.833 -5.438 371 1HB ASP 45 HB2 ASP 45 -2.548 10.246 -5.995 372 2HB ASP 45 HB3 ASP 45 -2.568 8.866 -7.079 373 H VAL 46 H VAL 46 -1.154 9.307 -4.517 374 HA VAL 46 HA VAL 46 0.045 6.624 -4.457 375 HB VAL 46 HB VAL 46 1.079 8.351 -5.940 376 1HG1 VAL 46 3HG1 VAL 46 0.697 10.303 -4.532 377 2HG1 VAL 46 2HG1 VAL 46 1.817 9.662 -3.329 378 3HG1 VAL 46 1HG1 VAL 46 2.408 10.130 -4.924 379 1HG2 VAL 46 2HG2 VAL 46 2.366 6.441 -5.152 380 2HG2 VAL 46 1HG2 VAL 46 3.386 7.876 -5.258 381 3HG2 VAL 46 3HG2 VAL 46 2.803 7.324 -3.688 382 H LEU 47 H LEU 47 1.113 5.872 -2.688 383 HA LEU 47 HA LEU 47 0.582 7.292 -0.186 384 1HB LEU 47 HB2 LEU 47 1.662 4.523 -0.311 385 2HB LEU 47 HB3 LEU 47 0.631 5.254 0.897 386 HG LEU 47 HG LEU 47 -0.246 4.465 -1.883 387 1HD1 LEU 47 3HD1 LEU 47 -0.677 3.136 0.785 388 2HD1 LEU 47 2HD1 LEU 47 -1.523 2.703 -0.700 389 3HD1 LEU 47 1HD1 LEU 47 0.225 2.496 -0.587 390 1HD2 LEU 47 1HD2 LEU 47 -1.832 5.458 0.478 391 2HD2 LEU 47 3HD2 LEU 47 -1.513 6.348 -1.010 392 3HD2 LEU 47 2HD2 LEU 47 -2.504 4.889 -1.050 393 H SER 48 H SER 48 3.165 5.495 -1.801 394 HA SER 48 HA SER 48 5.268 5.967 -0.101 395 1HB SER 48 HB2 SER 48 6.697 5.494 -1.979 396 2HB SER 48 HB3 SER 48 5.260 4.492 -2.122 397 HG SER 48 HG SER 48 4.928 5.391 -3.975 398 H ASP 49 H ASP 49 7.296 7.307 -0.976 399 HA ASP 49 HA ASP 49 6.647 9.909 -2.016 400 1HB ASP 49 HB2 ASP 49 7.286 9.541 0.903 401 2HB ASP 49 HB3 ASP 49 7.640 11.051 0.068 402 H GLU 50 H GLU 50 9.175 9.270 0.326 403 HA GLU 50 HA GLU 50 11.149 9.194 -1.850 404 1HB GLU 50 HB2 GLU 50 12.611 10.631 -0.530 405 2HB GLU 50 HB3 GLU 50 11.069 11.423 -0.832 406 1HG GLU 50 HG2 GLU 50 10.320 10.864 1.410 407 2HG GLU 50 HG3 GLU 50 11.853 10.052 1.726 408 H ILE 51 H ILE 51 10.463 8.458 1.541 409 HA ILE 51 HA ILE 51 12.775 6.952 2.089 410 HB ILE 51 HB ILE 51 10.057 6.478 3.308 411 1HG1 ILE 51 2HG1 ILE 51 10.606 8.903 3.266 412 2HG1 ILE 51 3HG1 ILE 51 10.520 8.239 4.892 413 1HG2 ILE 51 3HG2 ILE 51 12.854 6.141 4.378 414 2HG2 ILE 51 2HG2 ILE 51 11.372 5.894 5.302 415 3HG2 ILE 51 1HG2 ILE 51 11.736 4.854 3.926 416 1HD1 ILE 51 1HD1 ILE 51 13.046 8.787 3.353 417 2HD1 ILE 51 3HD1 ILE 51 12.382 9.784 4.647 418 3HD1 ILE 51 2HD1 ILE 51 12.949 8.151 4.996 419 H LEU 52 H LEU 52 9.538 5.523 1.958 420 HA LEU 52 HA LEU 52 10.689 3.147 0.666 421 1HB LEU 52 HB2 LEU 52 8.408 3.629 2.511 422 2HB LEU 52 HB3 LEU 52 8.246 2.319 1.359 423 HG LEU 52 HG LEU 52 10.629 2.516 3.169 424 1HD1 LEU 52 1HD1 LEU 52 8.010 1.151 3.756 425 2HD1 LEU 52 3HD1 LEU 52 9.486 1.000 4.710 426 3HD1 LEU 52 2HD1 LEU 52 8.663 2.556 4.599 427 1HD2 LEU 52 2HD2 LEU 52 10.612 1.009 1.157 428 2HD2 LEU 52 1HD2 LEU 52 10.901 0.210 2.703 429 3HD2 LEU 52 3HD2 LEU 52 9.314 0.111 1.941 430 H GLU 53 H GLU 53 10.380 2.958 -1.477 431 HA GLU 53 HA GLU 53 8.412 4.462 -2.887 432 1HB GLU 53 HB2 GLU 53 10.579 2.612 -3.546 433 2HB GLU 53 HB3 GLU 53 9.186 2.442 -4.604 434 1HG GLU 53 HG2 GLU 53 10.069 5.190 -4.088 435 2HG GLU 53 HG3 GLU 53 11.191 4.179 -4.994 436 H VAL 54 H VAL 54 6.733 3.565 -1.305 437 HA VAL 54 HA VAL 54 5.792 0.912 -1.659 438 HB VAL 54 HB VAL 54 4.169 3.220 -0.614 439 1HG1 VAL 54 1HG1 VAL 54 2.987 1.118 -1.060 440 2HG1 VAL 54 3HG1 VAL 54 4.114 0.269 -0.002 441 3HG1 VAL 54 2HG1 VAL 54 3.034 1.494 0.663 442 1HG2 VAL 54 2HG2 VAL 54 6.370 1.669 0.696 443 2HG2 VAL 54 1HG2 VAL 54 6.090 3.408 0.683 444 3HG2 VAL 54 3HG2 VAL 54 5.054 2.355 1.647 445 H VAL 55 H VAL 55 5.607 0.738 -3.939 446 HA VAL 55 HA VAL 55 3.688 2.362 -5.340 447 HB VAL 55 HB VAL 55 4.918 -0.224 -6.272 448 1HG1 VAL 55 2HG1 VAL 55 2.902 0.715 -7.454 449 2HG1 VAL 55 1HG1 VAL 55 3.906 2.094 -7.901 450 3HG1 VAL 55 3HG1 VAL 55 4.331 0.476 -8.462 451 1HG2 VAL 55 3HG2 VAL 55 5.960 2.590 -6.604 452 2HG2 VAL 55 2HG2 VAL 55 6.703 1.306 -5.650 453 3HG2 VAL 55 1HG2 VAL 55 6.612 1.160 -7.405 454 H CYS 56 H CYS 56 1.857 2.025 -4.124 455 HA CYS 56 HA CYS 56 0.742 -0.682 -4.098 456 1HB CYS 56 HB2 CYS 56 0.815 0.239 -1.905 457 2HB CYS 56 HB3 CYS 56 0.111 1.758 -2.448 458 HG CYS 56 HG CYS 56 -1.797 0.439 -0.917 459 H LYS 57 H LYS 57 -0.786 -1.196 -5.450 460 HA LYS 57 HA LYS 57 -2.436 0.936 -6.622 461 1HB LYS 57 HB2 LYS 57 -1.927 -1.737 -7.894 462 2HB LYS 57 HB3 LYS 57 -2.570 -0.285 -8.643 463 1HG LYS 57 HG2 LYS 57 -0.397 0.802 -8.427 464 2HG LYS 57 HG3 LYS 57 0.256 -0.650 -7.667 465 1HD LYS 57 HD2 LYS 57 -0.918 -0.556 -10.444 466 2HD LYS 57 HD3 LYS 57 0.806 -0.452 -10.085 467 1HE LYS 57 HE2 LYS 57 0.719 -2.655 -9.026 468 2HE LYS 57 HE3 LYS 57 -1.005 -2.761 -9.384 469 1HZ LYS 57 HZ3 LYS 57 -0.478 -2.661 -11.745 470 2HZ LYS 57 HZ2 LYS 57 1.175 -2.578 -11.394 471 3HZ LYS 57 HZ1 LYS 57 0.298 -3.973 -11.007 472 H TYR 58 H TYR 58 -4.292 0.909 -5.568 473 HA TYR 58 HA TYR 58 -5.399 -1.454 -4.398 474 1HB TYR 58 HB2 TYR 58 -5.694 0.902 -3.502 475 2HB TYR 58 HB3 TYR 58 -6.796 1.195 -4.845 476 HD1 TYR 58 HD1 TYR 58 -8.397 -1.228 -4.962 477 HD2 TYR 58 HD2 TYR 58 -6.927 0.883 -1.550 478 HE1 TYR 58 HE1 TYR 58 -10.252 -2.122 -3.636 479 HE2 TYR 58 HE2 TYR 58 -8.812 0.002 -0.224 480 HH TYR 58 HH TYR 58 -10.798 -2.534 -1.280 481 H THR 59 H THR 59 -6.044 -3.001 -5.768 482 HA THR 59 HA THR 59 -7.533 -2.260 -8.183 483 HB THR 59 HB THR 59 -6.488 -4.994 -7.425 484 HG1 THR 59 HG1 THR 59 -5.256 -2.795 -8.687 485 1HG2 THR 59 1HG2 THR 59 -7.364 -3.824 -10.071 486 2HG2 THR 59 3HG2 THR 59 -6.706 -5.443 -9.830 487 3HG2 THR 59 2HG2 THR 59 -8.256 -5.004 -9.111 488 HA PRO 60 HA PRO 60 -11.152 -3.692 -5.902 489 1HB PRO 60 HB2 PRO 60 -12.691 -2.371 -7.971 490 2HB PRO 60 HB3 PRO 60 -12.512 -1.911 -6.279 491 1HG PRO 60 HG2 PRO 60 -11.506 -0.435 -8.312 492 2HG PRO 60 HG3 PRO 60 -10.712 -0.535 -6.728 493 1HD PRO 60 HD2 PRO 60 -10.117 -2.088 -9.229 494 2HD PRO 60 HD3 PRO 60 -9.003 -1.205 -8.166 495 H THR 61 H THR 61 -10.761 -5.893 -6.554 496 HA THR 61 HA THR 61 -11.552 -6.793 -9.163 497 HB THR 61 HB THR 61 -11.405 -8.993 -7.410 498 HG1 THR 61 HG1 THR 61 -8.992 -8.007 -6.909 499 1HG2 THR 61 3HG2 THR 61 -10.620 -8.924 -9.733 500 2HG2 THR 61 2HG2 THR 61 -9.313 -7.841 -9.257 501 3HG2 THR 61 1HG2 THR 61 -9.355 -9.494 -8.645 502 HA PRO 62 HA PRO 62 -15.843 -7.506 -8.452 503 1HB PRO 62 HB2 PRO 62 -15.597 -9.971 -10.057 504 2HB PRO 62 HB3 PRO 62 -16.547 -8.516 -10.371 505 1HG PRO 62 HG2 PRO 62 -14.355 -9.076 -11.803 506 2HG PRO 62 HG3 PRO 62 -14.768 -7.409 -11.362 507 1HD PRO 62 HD2 PRO 62 -12.758 -9.248 -10.119 508 2HD PRO 62 HD3 PRO 62 -12.614 -7.521 -10.507 509 H SER 63 H SER 63 -17.263 -8.778 -7.263 510 HA SER 63 HA SER 63 -16.023 -10.577 -5.387 511 1HB SER 63 HB2 SER 63 -17.755 -8.958 -4.676 512 2HB SER 63 HB3 SER 63 -18.935 -9.796 -5.684 513 HG SER 63 HG SER 63 -19.199 -11.152 -4.117 514 H SER 64 H SER 64 -17.577 -12.570 -4.807 515 HA SER 64 HA SER 64 -17.180 -14.485 -6.785 516 1HB SER 64 HB2 SER 64 -19.160 -14.539 -4.496 517 2HB SER 64 HB3 SER 64 -18.639 -15.944 -5.425 518 HG SER 64 HG SER 64 -17.025 -16.057 -4.105 519 H THR 65 H THR 65 -20.300 -13.086 -5.754 520 HA THR 65 HA THR 65 -21.514 -14.018 -8.238 521 HB THR 65 HB THR 65 -23.648 -13.251 -7.226 522 HG1 THR 65 HG1 THR 65 -23.071 -11.656 -5.823 523 1HG2 THR 65 2HG2 THR 65 -22.905 -15.557 -6.904 524 2HG2 THR 65 1HG2 THR 65 -21.998 -15.074 -5.471 525 3HG2 THR 65 3HG2 THR 65 -23.759 -14.970 -5.477 526 HA PRO 66 HA PRO 66 -21.495 -10.023 -10.141 527 1HB PRO 66 HB2 PRO 66 -23.617 -10.181 -11.770 528 2HB PRO 66 HB3 PRO 66 -22.200 -11.211 -12.009 529 1HG PRO 66 HG2 PRO 66 -24.798 -11.852 -10.647 530 2HG PRO 66 HG3 PRO 66 -23.919 -12.802 -11.863 531 1HD PRO 66 HD2 PRO 66 -23.759 -13.317 -9.204 532 2HD PRO 66 HD3 PRO 66 -22.405 -13.604 -10.317 533 H MET 67 H MET 67 -23.765 -8.628 -11.043 534 HA MET 67 HA MET 67 -25.383 -7.161 -10.447 535 1HB MET 67 HB2 MET 67 -26.471 -9.111 -9.349 536 2HB MET 67 HB3 MET 67 -25.607 -8.714 -7.869 537 1HG MET 67 HG2 MET 67 -26.741 -6.570 -7.759 538 2HG MET 67 HG3 MET 67 -27.580 -6.925 -9.267 539 1HE MET 67 HE2 MET 67 -26.780 -9.412 -6.320 540 2HE MET 67 HE1 MET 67 -27.147 -7.900 -5.488 541 3HE MET 67 HE3 MET 67 -28.245 -9.273 -5.347 542 H VAL 68 H VAL 68 -23.855 -7.915 -7.354 543 HA VAL 68 HA VAL 68 -22.652 -5.256 -7.292 544 HB VAL 68 HB VAL 68 -24.885 -5.115 -6.178 545 1HG1 VAL 68 2HG1 VAL 68 -24.967 -7.360 -5.239 546 2HG1 VAL 68 1HG1 VAL 68 -23.623 -6.972 -4.166 547 3HG1 VAL 68 3HG1 VAL 68 -25.169 -6.144 -3.979 548 1HG2 VAL 68 3HG2 VAL 68 -23.104 -3.555 -5.616 549 2HG2 VAL 68 2HG2 VAL 68 -24.069 -3.935 -4.189 550 3HG2 VAL 68 1HG2 VAL 68 -22.484 -4.678 -4.406 551 H GLY 69 H GLY 69 -20.928 -5.035 -5.775 552 1HA GLY 69 HA3 GLY 69 -19.934 -7.605 -4.712 553 2HA GLY 69 HA2 GLY 69 -19.630 -6.050 -3.954 554 H VAL 70 H VAL 70 -17.751 -5.098 -4.372 555 HA VAL 70 HA VAL 70 -16.099 -6.203 -6.527 556 HB VAL 70 HB VAL 70 -16.387 -3.233 -6.032 557 1HG1 VAL 70 2HG1 VAL 70 -14.797 -4.755 -8.098 558 2HG1 VAL 70 1HG1 VAL 70 -14.970 -3.002 -8.027 559 3HG1 VAL 70 3HG1 VAL 70 -14.140 -3.860 -6.729 560 1HG2 VAL 70 2HG2 VAL 70 -17.360 -4.913 -8.340 561 2HG2 VAL 70 1HG2 VAL 70 -18.367 -4.119 -7.130 562 3HG2 VAL 70 3HG2 VAL 70 -17.416 -3.153 -8.257 563 H GLY 71 H GLY 71 -15.120 -7.298 -4.696 564 1HA GLY 71 HA3 GLY 71 -13.467 -7.552 -3.120 565 2HA GLY 71 HA2 GLY 71 -13.896 -5.946 -2.547 566 H GLY 72 H GLY 72 -11.283 -6.664 -2.421 567 1HA GLY 72 HA3 GLY 72 -9.767 -4.717 -3.318 568 2HA GLY 72 HA2 GLY 72 -9.983 -5.605 -4.819 569 H ILE 73 H ILE 73 -7.817 -6.129 -5.052 570 HA ILE 73 HA ILE 73 -6.915 -8.320 -3.404 571 HB ILE 73 HB ILE 73 -6.588 -7.588 -6.105 572 1HG1 ILE 73 2HG1 ILE 73 -7.018 -9.800 -5.080 573 2HG1 ILE 73 3HG1 ILE 73 -5.753 -9.822 -6.307 574 1HG2 ILE 73 2HG2 ILE 73 -4.563 -6.372 -5.441 575 2HG2 ILE 73 1HG2 ILE 73 -3.930 -7.846 -4.703 576 3HG2 ILE 73 3HG2 ILE 73 -4.192 -7.774 -6.446 577 1HD1 ILE 73 3HD1 ILE 73 -5.268 -9.743 -3.330 578 2HD1 ILE 73 2HD1 ILE 73 -5.186 -11.190 -4.338 579 3HD1 ILE 73 1HD1 ILE 73 -4.039 -9.872 -4.593 580 H TYR 74 H TYR 74 -6.392 -5.016 -3.720 581 HA TYR 74 HA TYR 74 -4.909 -3.522 -2.830 582 1HB TYR 74 HB2 TYR 74 -4.548 -5.572 -0.647 583 2HB TYR 74 HB3 TYR 74 -4.442 -3.821 -0.514 584 HD1 TYR 74 HD1 TYR 74 -6.668 -6.699 -0.492 585 HD2 TYR 74 HD2 TYR 74 -6.500 -2.451 -0.562 586 HE1 TYR 74 HE1 TYR 74 -9.015 -6.598 0.211 587 HE2 TYR 74 HE2 TYR 74 -8.847 -2.349 0.153 588 HH TYR 74 HH TYR 74 -10.535 -5.034 1.337 589 H VAL 75 H VAL 75 -3.234 -3.661 -4.394 590 HA VAL 75 HA VAL 75 -1.103 -5.601 -3.868 591 HB VAL 75 HB VAL 75 -1.533 -3.747 -6.221 592 1HG1 VAL 75 1HG1 VAL 75 0.665 -5.751 -5.723 593 2HG1 VAL 75 3HG1 VAL 75 0.365 -4.938 -7.259 594 3HG1 VAL 75 2HG1 VAL 75 0.839 -4.000 -5.844 595 1HG2 VAL 75 3HG2 VAL 75 -1.823 -6.721 -5.891 596 2HG2 VAL 75 2HG2 VAL 75 -3.072 -5.553 -6.315 597 3HG2 VAL 75 1HG2 VAL 75 -1.777 -5.911 -7.457 598 H VAL 76 H VAL 76 0.298 -4.878 -2.365 599 HA VAL 76 HA VAL 76 1.184 -2.075 -2.582 600 HB VAL 76 HB VAL 76 1.497 -3.804 -0.138 601 1HG1 VAL 76 2HG1 VAL 76 2.999 -1.883 -0.320 602 2HG1 VAL 76 1HG1 VAL 76 1.612 -0.818 -0.545 603 3HG1 VAL 76 3HG1 VAL 76 1.833 -1.663 0.986 604 1HG2 VAL 76 2HG2 VAL 76 -0.895 -3.557 -0.708 605 2HG2 VAL 76 1HG2 VAL 76 -0.464 -2.740 0.793 606 3HG2 VAL 76 3HG2 VAL 76 -0.694 -1.806 -0.684 607 H LEU 77 H LEU 77 3.034 -1.956 -3.675 608 HA LEU 77 HA LEU 77 5.087 -4.013 -3.258 609 1HB LEU 77 HB2 LEU 77 4.727 -1.933 -5.408 610 2HB LEU 77 HB3 LEU 77 6.183 -2.896 -5.254 611 HG LEU 77 HG LEU 77 3.397 -3.954 -5.790 612 1HD1 LEU 77 3HD1 LEU 77 4.352 -2.787 -7.703 613 2HD1 LEU 77 2HD1 LEU 77 5.818 -3.758 -7.575 614 3HD1 LEU 77 1HD1 LEU 77 4.286 -4.525 -7.993 615 1HD2 LEU 77 3HD2 LEU 77 5.083 -5.374 -4.428 616 2HD2 LEU 77 2HD2 LEU 77 4.245 -6.105 -5.799 617 3HD2 LEU 77 1HD2 LEU 77 5.912 -5.556 -5.974 618 H VAL 78 H VAL 78 6.187 -3.432 -1.454 619 HA VAL 78 HA VAL 78 6.904 -0.628 -1.087 620 HB VAL 78 HB VAL 78 8.021 -2.373 0.915 621 1HG1 VAL 78 3HG1 VAL 78 5.904 -0.210 0.981 622 2HG1 VAL 78 2HG1 VAL 78 6.659 -0.930 2.406 623 3HG1 VAL 78 1HG1 VAL 78 7.638 -0.006 1.266 624 1HG2 VAL 78 1HG2 VAL 78 5.052 -2.620 0.462 625 2HG2 VAL 78 3HG2 VAL 78 6.242 -3.910 0.303 626 3HG2 VAL 78 2HG2 VAL 78 5.924 -3.196 1.883 627 H LYS 79 H LYS 79 8.589 -0.003 -2.251 628 HA LYS 79 HA LYS 79 10.957 -1.745 -2.381 629 1HB LYS 79 HB2 LYS 79 9.781 0.256 -4.251 630 2HB LYS 79 HB3 LYS 79 11.526 0.049 -4.253 631 1HG LYS 79 HG2 LYS 79 11.197 -2.370 -4.652 632 2HG LYS 79 HG3 LYS 79 9.453 -2.077 -4.780 633 1HD LYS 79 HD2 LYS 79 11.477 -0.651 -6.497 634 2HD LYS 79 HD3 LYS 79 10.763 -2.197 -6.958 635 1HE LYS 79 HE2 LYS 79 9.474 -0.530 -8.026 636 2HE LYS 79 HE3 LYS 79 8.507 -1.110 -6.673 637 1HZ LYS 79 HZ3 LYS 79 10.193 1.323 -6.535 638 2HZ LYS 79 HZ2 LYS 79 8.558 1.351 -6.962 639 3HZ LYS 79 HZ1 LYS 79 9.020 0.817 -5.426 640 HA PRO 80 HA PRO 80 12.316 1.336 0.740 641 1HB PRO 80 HB2 PRO 80 14.767 -0.027 0.956 642 2HB PRO 80 HB3 PRO 80 13.375 -0.175 2.031 643 1HG PRO 80 HG2 PRO 80 14.221 -1.915 -0.229 644 2HG PRO 80 HG3 PRO 80 13.412 -2.351 1.288 645 1HD PRO 80 HD2 PRO 80 12.081 -2.274 -1.033 646 2HD PRO 80 HD3 PRO 80 11.319 -1.757 0.487 647 H ARG 81 H ARG 81 12.720 3.150 -0.383 648 HA ARG 81 HA ARG 81 14.614 3.317 -2.513 649 1HB ARG 81 HB2 ARG 81 12.628 5.008 -1.287 650 2HB ARG 81 HB3 ARG 81 14.121 5.902 -1.527 651 1HG ARG 81 HG2 ARG 81 14.098 5.360 -3.885 652 2HG ARG 81 HG3 ARG 81 12.652 4.372 -3.659 653 1HD ARG 81 HD2 ARG 81 11.384 6.317 -2.981 654 2HD ARG 81 HD3 ARG 81 12.828 7.327 -3.086 655 HE ARG 81 HE ARG 81 12.287 6.037 -5.561 656 1HH1 ARG 81 1HH1 ARG 81 11.282 8.687 -3.532 657 2HH1 ARG 81 2HH1 ARG 81 10.686 9.638 -4.851 658 1HH2 ARG 81 1HH2 ARG 81 11.504 7.282 -7.302 659 2HH2 ARG 81 2HH2 ARG 81 10.811 8.841 -6.993 660 H LYS 82 H LYS 82 14.627 4.020 0.920 661 HA LYS 82 HA LYS 82 17.424 4.912 0.742 662 1HB LYS 82 HB2 LYS 82 15.195 5.496 2.651 663 2HB LYS 82 HB3 LYS 82 16.847 5.636 3.200 664 1HG LYS 82 HG2 LYS 82 16.199 7.785 2.543 665 2HG LYS 82 HG3 LYS 82 17.251 7.182 1.258 666 1HD LYS 82 HD2 LYS 82 15.441 6.770 -0.169 667 2HD LYS 82 HD3 LYS 82 14.288 6.865 1.161 668 1HE LYS 82 HE2 LYS 82 14.186 8.860 -0.263 669 2HE LYS 82 HE3 LYS 82 14.707 9.256 1.375 670 1HZ LYS 82 HZ1 LYS 82 16.995 9.308 0.596 671 2HZ LYS 82 HZ3 LYS 82 16.494 8.931 -0.975 672 3HZ LYS 82 HZ2 LYS 82 16.043 10.402 -0.274 673 H ARG 83 H ARG 83 18.977 4.065 2.169 674 HA ARG 83 HA ARG 83 18.397 1.345 3.051 675 1HB ARG 83 HB2 ARG 83 21.083 2.702 3.118 676 2HB ARG 83 HB3 ARG 83 20.730 0.981 3.040 677 1HG ARG 83 HG2 ARG 83 19.889 1.245 0.770 678 2HG ARG 83 HG3 ARG 83 20.211 2.978 0.846 679 1HD ARG 83 HD2 ARG 83 22.239 0.758 1.003 680 2HD ARG 83 HD3 ARG 83 21.990 1.868 -0.343 681 HE ARG 83 HE ARG 83 22.528 3.403 1.911 682 1HH1 ARG 83 1HH1 ARG 83 24.145 1.052 -0.089 683 2HH1 ARG 83 2HH1 ARG 83 25.724 1.701 0.203 684 1HH2 ARG 83 1HH2 ARG 83 24.602 4.264 2.300 685 2HH2 ARG 83 2HH2 ARG 83 25.984 3.526 1.561 686 H GLY 84 H GLY 84 18.193 0.775 5.130 687 1HA GLY 84 HA3 GLY 84 18.469 2.861 7.158 688 2HA GLY 84 HA2 GLY 84 19.442 1.413 7.369 689 H HIS 85 H HIS 85 16.613 2.866 8.225 690 HA HIS 85 HA HIS 85 15.207 0.313 8.618 691 1HB HIS 85 HB2 HIS 85 16.344 0.883 10.707 692 2HB HIS 85 HB3 HIS 85 15.589 2.471 10.699 693 HD1 HIS 85 HD1 HIS 85 13.290 2.665 11.699 694 HD2 HIS 85 HD2 HIS 85 14.500 -1.278 11.200 695 HE1 HIS 85 HE1 HIS 85 11.557 1.276 12.878 696 HE2 HIS 85 HE2 HIS 85 12.265 -1.111 12.491 697 H HIS 86 H HIS 86 13.258 0.384 7.788 698 HA HIS 86 HA HIS 86 11.755 2.911 7.847 699 1HB HIS 86 HB2 HIS 86 11.851 1.000 5.501 700 2HB HIS 86 HB3 HIS 86 10.914 2.489 5.594 701 HD1 HIS 86 HD1 HIS 86 13.385 4.101 6.920 702 HD2 HIS 86 HD2 HIS 86 13.380 1.954 3.364 703 HE1 HIS 86 HE1 HIS 86 15.270 5.054 5.557 704 HE2 HIS 86 HE2 HIS 86 15.179 3.811 3.369 705 H THR 87 H THR 87 9.362 2.282 6.982 706 HA THR 87 HA THR 87 8.467 -0.288 7.934 707 HB THR 87 HB THR 87 7.576 2.189 9.421 708 HG1 THR 87 HG1 THR 87 9.608 1.584 10.154 709 1HG2 THR 87 3HG2 THR 87 6.864 -0.726 9.746 710 2HG2 THR 87 2HG2 THR 87 6.408 0.554 10.872 711 3HG2 THR 87 1HG2 THR 87 5.789 0.568 9.219 712 H LEU 88 H LEU 88 6.212 -0.672 7.557 713 HA LEU 88 HA LEU 88 4.885 1.280 5.809 714 1HB LEU 88 HB2 LEU 88 5.891 -0.382 4.364 715 2HB LEU 88 HB3 LEU 88 5.186 -1.679 5.307 716 HG LEU 88 HG LEU 88 2.911 -0.688 4.644 717 1HD1 LEU 88 2HD1 LEU 88 3.743 1.459 3.847 718 2HD1 LEU 88 1HD1 LEU 88 4.662 0.641 2.583 719 3HD1 LEU 88 3HD1 LEU 88 2.899 0.588 2.566 720 1HD2 LEU 88 3HD2 LEU 88 4.693 -1.915 2.552 721 2HD2 LEU 88 2HD2 LEU 88 3.758 -2.787 3.764 722 3HD2 LEU 88 1HD2 LEU 88 2.933 -1.872 2.502 723 H GLU 89 H GLU 89 3.563 1.819 7.600 724 HA GLU 89 HA GLU 89 1.971 -0.264 8.831 725 1HB GLU 89 HB2 GLU 89 0.977 2.281 9.551 726 2HB GLU 89 HB3 GLU 89 1.924 1.171 10.529 727 1HG GLU 89 HG2 GLU 89 3.974 2.166 9.749 728 2HG GLU 89 HG3 GLU 89 3.078 3.216 8.654 729 H LEU 90 H LEU 90 0.761 -1.042 7.122 730 HA LEU 90 HA LEU 90 -0.989 0.728 5.646 731 1HB LEU 90 HB2 LEU 90 -0.652 -2.269 5.666 732 2HB LEU 90 HB3 LEU 90 -1.853 -1.448 4.687 733 HG LEU 90 HG LEU 90 1.124 -0.992 4.474 734 1HD1 LEU 90 2HD1 LEU 90 0.534 -3.254 3.794 735 2HD1 LEU 90 1HD1 LEU 90 -0.719 -2.618 2.730 736 3HD1 LEU 90 3HD1 LEU 90 0.977 -2.271 2.399 737 1HD2 LEU 90 1HD2 LEU 90 -1.205 -0.052 2.806 738 2HD2 LEU 90 3HD2 LEU 90 -0.120 0.945 3.776 739 3HD2 LEU 90 2HD2 LEU 90 0.490 0.111 2.346 740 H VAL 91 H VAL 91 -2.598 1.574 6.827 741 HA VAL 91 HA VAL 91 -3.902 0.031 8.903 742 HB VAL 91 HB VAL 91 -5.192 2.553 8.175 743 1HG1 VAL 91 2HG1 VAL 91 -3.961 1.452 10.695 744 2HG1 VAL 91 1HG1 VAL 91 -4.843 2.977 10.598 745 3HG1 VAL 91 3HG1 VAL 91 -5.669 1.458 10.254 746 1HG2 VAL 91 1HG2 VAL 91 -2.941 3.165 7.479 747 2HG2 VAL 91 3HG2 VAL 91 -3.396 4.013 8.959 748 3HG2 VAL 91 2HG2 VAL 91 -2.304 2.628 9.038 749 H TYR 92 H TYR 92 -6.012 -0.627 8.947 750 HA TYR 92 HA TYR 92 -7.353 -0.890 6.362 751 1HB TYR 92 HB2 TYR 92 -6.998 -2.881 7.895 752 2HB TYR 92 HB3 TYR 92 -8.132 -2.131 9.012 753 HD1 TYR 92 HD1 TYR 92 -10.061 -3.407 9.018 754 HD2 TYR 92 HD2 TYR 92 -8.213 -2.496 5.296 755 HE1 TYR 92 HE1 TYR 92 -11.933 -4.476 7.834 756 HE2 TYR 92 HE2 TYR 92 -10.078 -3.560 4.101 757 HH TYR 92 HH TYR 92 -11.820 -5.246 4.534 758 H THR 93 H THR 93 -7.847 1.409 6.359 759 HA THR 93 HA THR 93 -10.007 2.171 8.218 760 HB THR 93 HB THR 93 -8.018 3.514 8.531 761 HG1 THR 93 HG1 THR 93 -10.155 4.524 8.583 762 1HG2 THR 93 3HG2 THR 93 -8.155 3.653 5.568 763 2HG2 THR 93 2HG2 THR 93 -7.596 5.099 6.417 764 3HG2 THR 93 1HG2 THR 93 -6.752 3.563 6.635 765 H ARG 94 H ARG 94 -11.678 3.528 7.452 766 HA ARG 94 HA ARG 94 -12.346 3.111 4.644 767 1HB ARG 94 HB2 ARG 94 -13.901 4.018 7.054 768 2HB ARG 94 HB3 ARG 94 -14.537 4.248 5.431 769 1HG ARG 94 HG2 ARG 94 -14.510 1.877 5.031 770 2HG ARG 94 HG3 ARG 94 -13.732 1.590 6.587 771 1HD ARG 94 HD2 ARG 94 -16.088 1.111 6.769 772 2HD ARG 94 HD3 ARG 94 -15.704 2.547 7.718 773 HE ARG 94 HE ARG 94 -16.507 3.384 5.181 774 1HH1 ARG 94 1HH1 ARG 94 -17.851 1.795 7.975 775 2HH1 ARG 94 2HH1 ARG 94 -19.455 2.387 7.701 776 1HH2 ARG 94 1HH2 ARG 94 -18.615 4.169 4.812 777 2HH2 ARG 94 2HH2 ARG 94 -19.890 3.736 5.902 778 HA PRO 95 HA PRO 95 -10.445 7.191 3.946 779 1HB PRO 95 HB2 PRO 95 -11.312 7.184 1.281 780 2HB PRO 95 HB3 PRO 95 -9.738 6.645 1.868 781 1HG PRO 95 HG2 PRO 95 -12.162 5.045 1.210 782 2HG PRO 95 HG3 PRO 95 -10.455 4.644 0.970 783 1HD PRO 95 HD2 PRO 95 -11.866 3.545 2.945 784 2HD PRO 95 HD3 PRO 95 -10.171 4.012 3.176 785 H PHE 96 H PHE 96 -13.687 6.209 2.892 786 HA PHE 96 HA PHE 96 -14.631 8.895 2.643 787 1HB PHE 96 HB2 PHE 96 -16.016 6.214 2.627 788 2HB PHE 96 HB3 PHE 96 -16.824 7.738 2.327 789 HD1 PHE 96 HD1 PHE 96 -14.337 5.370 1.038 790 HD2 PHE 96 HD2 PHE 96 -16.634 8.861 0.235 791 HE1 PHE 96 HE1 PHE 96 -13.730 5.216 -1.341 792 HE2 PHE 96 HE2 PHE 96 -16.033 8.713 -2.147 793 HZ PHE 96 HZ PHE 96 -14.579 6.889 -2.937 794 H GLU 97 H GLU 97 -13.670 7.541 5.307 795 HA GLU 97 HA GLU 97 -15.695 8.843 6.950 796 1HB GLU 97 HB2 GLU 97 -14.937 5.935 7.191 797 2HB GLU 97 HB3 GLU 97 -15.653 6.833 8.521 798 1HG GLU 97 HG2 GLU 97 -16.928 6.518 5.814 799 2HG GLU 97 HG3 GLU 97 -17.265 5.483 7.202 800 H GLY 98 H GLY 98 -12.566 8.502 6.173 801 1HA GLY 98 HA3 GLY 98 -11.668 9.725 8.620 802 2HA GLY 98 HA2 GLY 98 -10.679 9.381 7.206 803 H ILE 99 H ILE 99 -9.331 8.912 9.314 804 HA ILE 99 HA ILE 99 -9.426 5.998 9.632 805 HB ILE 99 HB ILE 99 -7.056 7.682 10.341 806 1HG1 ILE 99 2HG1 ILE 99 -7.545 6.505 7.603 807 2HG1 ILE 99 3HG1 ILE 99 -7.872 8.192 7.985 808 1HG2 ILE 99 1HG2 ILE 99 -7.634 4.814 9.772 809 2HG2 ILE 99 3HG2 ILE 99 -6.021 5.442 9.426 810 3HG2 ILE 99 2HG2 ILE 99 -6.671 5.535 11.063 811 1HD1 ILE 99 2HD1 ILE 99 -5.514 8.506 8.559 812 2HD1 ILE 99 1HD1 ILE 99 -5.194 6.819 8.153 813 3HD1 ILE 99 3HD1 ILE 99 -5.719 7.946 6.899 814 H LYS 100 H LYS 100 -8.862 5.069 11.671 815 HA LYS 100 HA LYS 100 -9.193 6.802 14.007 816 1HB LYS 100 HB2 LYS 100 -10.784 4.290 13.480 817 2HB LYS 100 HB3 LYS 100 -10.792 5.182 14.984 818 1HG LYS 100 HG2 LYS 100 -11.850 7.050 13.985 819 2HG LYS 100 HG3 LYS 100 -11.587 6.412 12.361 820 1HD LYS 100 HD2 LYS 100 -13.213 4.887 14.362 821 2HD LYS 100 HD3 LYS 100 -13.934 6.194 13.422 822 1HE LYS 100 HE2 LYS 100 -13.384 5.082 11.358 823 2HE LYS 100 HE3 LYS 100 -12.493 3.831 12.227 824 1HZ LYS 100 HZ3 LYS 100 -14.562 3.133 13.265 825 2HZ LYS 100 HZ2 LYS 100 -15.413 4.332 12.431 826 3HZ LYS 100 HZ1 LYS 100 -14.687 3.064 11.579 827 HA PRO 101 HA PRO 101 -6.071 4.288 15.832 828 1HB PRO 101 HB2 PRO 101 -6.821 4.140 18.427 829 2HB PRO 101 HB3 PRO 101 -6.231 5.634 17.693 830 1HG PRO 101 HG2 PRO 101 -9.045 4.775 18.236 831 2HG PRO 101 HG3 PRO 101 -8.294 6.362 18.477 832 1HD PRO 101 HD2 PRO 101 -9.853 5.774 16.332 833 2HD PRO 101 HD3 PRO 101 -8.527 6.952 16.273 834 H GLU 102 H GLU 102 -9.366 3.301 16.650 835 HA GLU 102 HA GLU 102 -8.727 0.692 17.501 836 1HB GLU 102 HB2 GLU 102 -11.159 0.236 17.100 837 2HB GLU 102 HB3 GLU 102 -10.823 1.607 18.151 838 1HG GLU 102 HG2 GLU 102 -11.163 3.119 16.273 839 2HG GLU 102 HG3 GLU 102 -11.526 1.742 15.237 840 H ASN 103 H ASN 103 -9.141 2.106 14.369 841 HA ASN 103 HA ASN 103 -9.774 -0.152 12.853 842 1HB ASN 103 HB2 ASN 103 -8.108 2.253 12.088 843 2HB ASN 103 HB3 ASN 103 -8.744 1.072 10.948 844 1HD2 ASN 103 1HD2 ASN 103 -11.235 0.766 12.480 845 2HD2 ASN 103 2HD2 ASN 103 -12.166 2.179 12.137 846 H GLU 104 H GLU 104 -8.636 -1.815 12.010 847 HA GLU 104 HA GLU 104 -6.223 -2.606 13.193 848 1HB GLU 104 HB2 GLU 104 -7.990 -3.573 11.024 849 2HB GLU 104 HB3 GLU 104 -6.350 -4.188 11.053 850 1HG GLU 104 HG2 GLU 104 -7.747 -5.700 12.250 851 2HG GLU 104 HG3 GLU 104 -6.704 -4.879 13.405 852 H ARG 105 H ARG 105 -4.504 -3.528 11.407 853 HA ARG 105 HA ARG 105 -3.883 -1.679 9.316 854 1HB ARG 105 HB2 ARG 105 -1.755 -0.876 10.229 855 2HB ARG 105 HB3 ARG 105 -3.118 -0.342 11.203 856 1HG ARG 105 HG2 ARG 105 -1.879 -2.871 12.031 857 2HG ARG 105 HG3 ARG 105 -0.872 -1.429 12.226 858 1HD ARG 105 HD2 ARG 105 -1.987 -1.337 14.208 859 2HD ARG 105 HD3 ARG 105 -3.148 -0.469 13.202 860 HE ARG 105 HE ARG 105 -3.982 -3.017 12.988 861 1HH1 ARG 105 1HH1 ARG 105 -3.194 -1.020 15.732 862 2HH1 ARG 105 2HH1 ARG 105 -4.315 -1.808 16.791 863 1HH2 ARG 105 1HH2 ARG 105 -5.460 -4.061 14.376 864 2HH2 ARG 105 2HH2 ARG 105 -5.603 -3.537 16.020 865 H TYR 106 H TYR 106 -1.125 -2.115 9.252 866 HA TYR 106 HA TYR 106 -0.438 -4.862 9.498 867 1HB TYR 106 HB2 TYR 106 -1.859 -5.026 7.495 868 2HB TYR 106 HB3 TYR 106 -0.884 -3.792 6.697 869 HD1 TYR 106 HD1 TYR 106 1.187 -4.360 5.645 870 HD2 TYR 106 HD2 TYR 106 -0.889 -7.255 7.968 871 HE1 TYR 106 HE1 TYR 106 2.661 -6.118 4.761 872 HE2 TYR 106 HE2 TYR 106 0.580 -9.021 7.094 873 HH TYR 106 HH TYR 106 2.007 -9.425 5.132 874 H THR 107 H THR 107 1.025 -3.489 10.725 875 HA THR 107 HA THR 107 2.821 -1.702 9.447 876 HB THR 107 HB THR 107 3.518 -3.077 12.012 877 HG1 THR 107 HG1 THR 107 1.375 -1.274 11.562 878 1HG2 THR 107 1HG2 THR 107 4.995 -1.349 11.020 879 2HG2 THR 107 3HG2 THR 107 3.672 -0.191 11.145 880 3HG2 THR 107 2HG2 THR 107 4.369 -0.894 12.603 881 H LEU 108 H LEU 108 4.122 -2.424 7.894 882 HA LEU 108 HA LEU 108 5.576 -4.940 8.313 883 1HB LEU 108 HB2 LEU 108 4.354 -5.018 6.280 884 2HB LEU 108 HB3 LEU 108 4.858 -3.403 5.828 885 HG LEU 108 HG LEU 108 7.114 -4.173 5.392 886 1HD1 LEU 108 1HD1 LEU 108 6.116 -6.837 6.375 887 2HD1 LEU 108 3HD1 LEU 108 7.637 -6.599 5.513 888 3HD1 LEU 108 2HD1 LEU 108 7.386 -5.840 7.085 889 1HD2 LEU 108 2HD2 LEU 108 5.497 -4.358 3.586 890 2HD2 LEU 108 1HD2 LEU 108 6.681 -5.663 3.509 891 3HD2 LEU 108 3HD2 LEU 108 5.060 -5.978 4.130 892 H HIS 109 H HIS 109 7.298 -4.249 9.550 893 HA HIS 109 HA HIS 109 8.802 -1.926 8.827 894 1HB HIS 109 HB2 HIS 109 9.298 -4.084 10.824 895 2HB HIS 109 HB3 HIS 109 10.412 -2.756 10.574 896 HD1 HIS 109 HD1 HIS 109 10.069 -0.915 12.176 897 HD2 HIS 109 HD2 HIS 109 6.528 -2.961 11.402 898 HE1 HIS 109 HE1 HIS 109 8.322 0.202 13.598 899 HE2 HIS 109 HE2 HIS 109 6.174 -0.993 13.047 900 H LEU 110 H LEU 110 11.006 -1.919 8.183 901 HA LEU 110 HA LEU 110 12.020 -4.324 6.911 902 1HB LEU 110 HB2 LEU 110 11.377 -1.787 5.418 903 2HB LEU 110 HB3 LEU 110 12.405 -3.050 4.776 904 HG LEU 110 HG LEU 110 9.500 -3.402 5.530 905 1HD1 LEU 110 1HD1 LEU 110 9.760 -1.930 3.604 906 2HD1 LEU 110 3HD1 LEU 110 10.784 -3.133 2.818 907 3HD1 LEU 110 2HD1 LEU 110 9.086 -3.490 3.129 908 1HD2 LEU 110 2HD2 LEU 110 10.906 -5.438 5.718 909 2HD2 LEU 110 1HD2 LEU 110 9.656 -5.553 4.478 910 3HD2 LEU 110 3HD2 LEU 110 11.331 -5.253 4.016 911 H ASN 111 H ASN 111 13.854 -4.335 8.126 912 HA ASN 111 HA ASN 111 15.443 -1.997 8.576 913 1HB ASN 111 HB2 ASN 111 15.437 -3.941 10.134 914 2HB ASN 111 HB3 ASN 111 16.215 -4.910 8.888 915 1HD2 ASN 111 1HD2 ASN 111 18.069 -5.304 10.013 916 2HD2 ASN 111 2HD2 ASN 111 19.228 -4.080 10.393 917 H VAL 112 H VAL 112 15.356 -1.501 6.207 918 HA VAL 112 HA VAL 112 16.556 -2.920 4.189 919 HB VAL 112 HB VAL 112 16.964 0.048 4.349 920 1HG1 VAL 112 3HG1 VAL 112 17.762 -1.215 2.390 921 2HG1 VAL 112 2HG1 VAL 112 16.112 -1.767 2.102 922 3HG1 VAL 112 1HG1 VAL 112 16.501 -0.051 1.978 923 1HG2 VAL 112 2HG2 VAL 112 14.341 -1.387 4.002 924 2HG2 VAL 112 1HG2 VAL 112 14.751 -0.143 5.183 925 3HG2 VAL 112 3HG2 VAL 112 14.612 0.274 3.476 926 H LYS 113 H LYS 113 18.552 -3.648 3.875 927 HA LYS 113 HA LYS 113 20.733 -2.670 5.520 928 1HB LYS 113 HB2 LYS 113 20.693 -4.897 3.476 929 2HB LYS 113 HB3 LYS 113 21.975 -4.574 4.636 930 1HG LYS 113 HG2 LYS 113 19.155 -5.355 5.341 931 2HG LYS 113 HG3 LYS 113 20.540 -6.444 5.312 932 1HD LYS 113 HD2 LYS 113 20.348 -3.982 7.044 933 2HD LYS 113 HD3 LYS 113 19.945 -5.613 7.585 934 1HE LYS 113 HE2 LYS 113 22.223 -6.343 7.122 935 2HE LYS 113 HE3 LYS 113 22.633 -4.728 6.546 936 1HZ LYS 113 HZ3 LYS 113 21.785 -5.413 9.308 937 2HZ LYS 113 HZ2 LYS 113 23.366 -5.066 8.819 938 3HZ LYS 113 HZ1 LYS 113 22.179 -3.863 8.755 No H/Q in entry = 938 Start of MODEL 23 1 H1 GLY -2 HT2 GLY -2 -22.861 -5.788 20.081 2 H2 GLY -2 HT1 GLY -2 -22.196 -6.094 21.606 3 H3 GLY -2 HT3 GLY -2 -23.472 -4.995 21.443 4 1HA GLY -2 HA2 GLY -2 -21.390 -3.821 21.750 5 2HA GLY -2 HA3 GLY -2 -22.083 -3.499 20.167 6 H SER -1 H SER -1 -21.142 -6.539 19.815 7 HA SER -1 HA SER -1 -18.339 -5.890 19.203 8 1HB SER -1 HB2 SER -1 -17.964 -8.332 19.174 9 2HB SER -1 HB3 SER -1 -18.626 -7.793 20.717 10 HG SER -1 HG SER -1 -20.550 -8.683 20.221 11 H HIS 0 H HIS 0 -17.768 -5.633 17.152 12 HA HIS 0 HA HIS 0 -19.667 -6.181 15.043 13 1HB HIS 0 HB2 HIS 0 -18.369 -4.092 15.033 14 2HB HIS 0 HB3 HIS 0 -16.876 -5.017 14.918 15 HD1 HIS 0 HD1 HIS 0 -16.129 -5.728 12.623 16 HD2 HIS 0 HD2 HIS 0 -19.995 -4.205 12.657 17 HE1 HIS 0 HE1 HIS 0 -16.780 -5.493 10.206 18 HE2 HIS 0 HE2 HIS 0 -19.153 -4.647 10.252 19 H MET 1 H MET 1 -16.749 -7.568 16.327 20 HA MET 1 HA MET 1 -16.284 -9.269 14.041 21 1HB MET 1 HB2 MET 1 -15.044 -9.285 16.799 22 2HB MET 1 HB3 MET 1 -14.499 -10.254 15.436 23 1HG MET 1 HG2 MET 1 -13.954 -8.226 14.200 24 2HG MET 1 HG3 MET 1 -14.515 -7.247 15.555 25 1HE MET 1 HE2 MET 1 -12.504 -10.630 15.721 26 2HE MET 1 HE1 MET 1 -11.825 -9.821 14.308 27 3HE MET 1 HE3 MET 1 -10.843 -10.037 15.757 28 H ILE 2 H ILE 2 -15.901 -11.701 14.622 29 HA ILE 2 HA ILE 2 -18.410 -12.654 15.802 30 HB ILE 2 HB ILE 2 -17.978 -13.379 13.513 31 1HG1 ILE 2 2HG1 ILE 2 -18.156 -15.845 13.869 32 2HG1 ILE 2 3HG1 ILE 2 -17.739 -15.593 15.561 33 1HG2 ILE 2 1HG2 ILE 2 -15.552 -13.290 13.527 34 2HG2 ILE 2 3HG2 ILE 2 -15.493 -14.664 14.632 35 3HG2 ILE 2 2HG2 ILE 2 -16.109 -14.877 12.993 36 1HD1 ILE 2 3HD1 ILE 2 -20.165 -14.494 14.162 37 2HD1 ILE 2 2HD1 ILE 2 -20.131 -15.866 15.271 38 3HD1 ILE 2 1HD1 ILE 2 -19.749 -14.247 15.857 39 H ALA 3 H ALA 3 -14.932 -12.877 16.108 40 HA ALA 3 HA ALA 3 -15.278 -14.192 18.693 41 1HB ALA 3 HB1 ALA 3 -14.895 -16.015 17.107 42 2HB ALA 3 HB3 ALA 3 -13.396 -15.246 16.586 43 3HB ALA 3 HB2 ALA 3 -13.551 -15.846 18.237 44 HA PRO 4 HA PRO 4 -12.239 -10.818 19.130 45 1HB PRO 4 HB2 PRO 4 -12.719 -10.346 21.745 46 2HB PRO 4 HB3 PRO 4 -13.764 -9.722 20.465 47 1HG PRO 4 HG2 PRO 4 -14.135 -12.125 22.213 48 2HG PRO 4 HG3 PRO 4 -15.322 -10.899 21.733 49 1HD PRO 4 HD2 PRO 4 -15.147 -13.337 20.542 50 2HD PRO 4 HD3 PRO 4 -15.695 -11.882 19.688 51 H LEU 5 H LEU 5 -12.291 -13.962 20.096 52 HA LEU 5 HA LEU 5 -10.347 -14.023 22.153 53 1HB LEU 5 HB2 LEU 5 -11.263 -16.092 20.164 54 2HB LEU 5 HB3 LEU 5 -10.056 -16.430 21.389 55 HG LEU 5 HG LEU 5 -11.758 -15.813 23.130 56 1HD1 LEU 5 2HD1 LEU 5 -13.612 -15.828 20.753 57 2HD1 LEU 5 1HD1 LEU 5 -14.119 -15.816 22.442 58 3HD1 LEU 5 3HD1 LEU 5 -13.230 -14.446 21.778 59 1HD2 LEU 5 1HD2 LEU 5 -11.275 -18.137 22.562 60 2HD2 LEU 5 3HD2 LEU 5 -12.980 -17.917 22.960 61 3HD2 LEU 5 2HD2 LEU 5 -12.480 -18.078 21.276 62 H SER 6 H SER 6 -10.140 -13.518 18.772 63 HA SER 6 HA SER 6 -7.347 -14.301 18.600 64 1HB SER 6 HB2 SER 6 -7.538 -13.615 16.233 65 2HB SER 6 HB3 SER 6 -8.804 -14.755 16.686 66 HG SER 6 HG SER 6 -9.476 -12.117 17.056 67 H VAL 7 H VAL 7 -5.853 -12.684 17.465 68 HA VAL 7 HA VAL 7 -6.075 -10.123 18.889 69 HB VAL 7 HB VAL 7 -3.666 -9.899 18.605 70 1HG1 VAL 7 1HG1 VAL 7 -4.496 -11.096 20.564 71 2HG1 VAL 7 3HG1 VAL 7 -4.431 -12.615 19.670 72 3HG1 VAL 7 2HG1 VAL 7 -2.942 -11.744 20.036 73 1HG2 VAL 7 1HG2 VAL 7 -3.831 -12.544 17.165 74 2HG2 VAL 7 3HG2 VAL 7 -3.397 -10.988 16.458 75 3HG2 VAL 7 2HG2 VAL 7 -2.337 -11.741 17.649 76 H LYS 8 H LYS 8 -5.319 -8.178 17.792 77 HA LYS 8 HA LYS 8 -6.048 -8.216 14.956 78 1HB LYS 8 HB2 LYS 8 -6.073 -6.093 17.074 79 2HB LYS 8 HB3 LYS 8 -6.090 -5.667 15.376 80 1HG LYS 8 HG2 LYS 8 -8.340 -5.676 16.213 81 2HG LYS 8 HG3 LYS 8 -8.138 -7.026 15.093 82 1HD LYS 8 HD2 LYS 8 -9.345 -7.860 16.962 83 2HD LYS 8 HD3 LYS 8 -7.698 -8.483 17.097 84 1HE LYS 8 HE2 LYS 8 -7.162 -6.708 18.696 85 2HE LYS 8 HE3 LYS 8 -8.812 -6.098 18.569 86 1HZ LYS 8 HZ1 LYS 8 -9.616 -8.205 19.444 87 2HZ LYS 8 HZ3 LYS 8 -8.031 -8.782 19.573 88 3HZ LYS 8 HZ2 LYS 8 -8.537 -7.479 20.525 89 H ASP 9 H ASP 9 -3.398 -8.646 16.567 90 HA ASP 9 HA ASP 9 -1.470 -6.818 16.063 91 1HB ASP 9 HB2 ASP 9 -1.028 -8.976 17.151 92 2HB ASP 9 HB3 ASP 9 -1.205 -9.798 15.604 93 H ASN 10 H ASN 10 -0.064 -6.287 14.344 94 HA ASN 10 HA ASN 10 -1.289 -6.624 11.742 95 1HB ASN 10 HB2 ASN 10 0.617 -4.999 11.107 96 2HB ASN 10 HB3 ASN 10 -0.735 -4.398 12.054 97 1HD2 ASN 10 1HD2 ASN 10 0.517 -2.705 12.836 98 2HD2 ASN 10 2HD2 ASN 10 1.706 -2.940 14.065 99 H ASP 11 H ASP 11 2.148 -6.229 12.126 100 HA ASP 11 HA ASP 11 2.578 -8.952 11.129 101 1HB ASP 11 HB2 ASP 11 2.494 -7.338 9.220 102 2HB ASP 11 HB3 ASP 11 3.906 -6.539 9.899 103 H LYS 12 H LYS 12 5.402 -7.238 10.732 104 HA LYS 12 HA LYS 12 6.355 -7.357 13.444 105 1HB LYS 12 HB2 LYS 12 6.505 -9.685 12.959 106 2HB LYS 12 HB3 LYS 12 7.143 -9.379 11.350 107 1HG LYS 12 HG2 LYS 12 8.918 -10.183 12.693 108 2HG LYS 12 HG3 LYS 12 9.185 -8.464 12.408 109 1HD LYS 12 HD2 LYS 12 8.245 -7.964 14.625 110 2HD LYS 12 HD3 LYS 12 8.021 -9.691 14.907 111 1HE LYS 12 HE2 LYS 12 10.659 -8.314 14.419 112 2HE LYS 12 HE3 LYS 12 10.053 -8.848 15.986 113 1HZ LYS 12 HZ3 LYS 12 10.068 -11.125 15.173 114 2HZ LYS 12 HZ2 LYS 12 10.652 -10.611 13.672 115 3HZ LYS 12 HZ1 LYS 12 11.610 -10.438 15.055 116 H TRP 13 H TRP 13 8.814 -6.883 13.445 117 HA TRP 13 HA TRP 13 9.539 -5.134 11.203 118 1HB TRP 13 HB2 TRP 13 10.155 -4.729 14.139 119 2HB TRP 13 HB3 TRP 13 10.569 -3.639 12.825 120 HD1 TRP 13 HD1 TRP 13 7.923 -3.375 11.282 121 HE1 TRP 13 HE1 TRP 13 5.851 -2.276 12.336 122 HE3 TRP 13 HE3 TRP 13 9.121 -3.933 16.221 123 HZ2 TRP 13 HZ2 TRP 13 4.839 -1.726 14.905 124 HZ3 TRP 13 HZ3 TRP 13 7.545 -3.094 17.915 125 HH2 TRP 13 HH2 TRP 13 5.452 -2.013 17.271 126 H VAL 14 H VAL 14 11.397 -5.742 10.185 127 HA VAL 14 HA VAL 14 13.617 -6.870 11.681 128 HB VAL 14 HB VAL 14 13.818 -8.937 10.596 129 1HG1 VAL 14 2HG1 VAL 14 12.105 -9.002 12.314 130 2HG1 VAL 14 1HG1 VAL 14 10.872 -8.597 11.120 131 3HG1 VAL 14 3HG1 VAL 14 11.730 -10.134 11.015 132 1HG2 VAL 14 2HG2 VAL 14 11.812 -7.894 8.628 133 2HG2 VAL 14 1HG2 VAL 14 13.447 -8.479 8.339 134 3HG2 VAL 14 3HG2 VAL 14 12.166 -9.615 8.763 135 H ASP 15 H ASP 15 15.198 -7.753 9.696 136 HA ASP 15 HA ASP 15 15.894 -5.291 8.379 137 1HB ASP 15 HB2 ASP 15 17.936 -6.356 7.834 138 2HB ASP 15 HB3 ASP 15 17.501 -6.916 9.451 139 H THR 16 H THR 16 16.783 -5.588 6.014 140 HA THR 16 HA THR 16 15.430 -7.375 4.281 141 HB THR 16 HB THR 16 13.572 -5.753 5.037 142 HG1 THR 16 HG1 THR 16 14.148 -6.878 2.651 143 1HG2 THR 16 3HG2 THR 16 14.858 -3.681 4.790 144 2HG2 THR 16 2HG2 THR 16 14.998 -3.975 3.057 145 3HG2 THR 16 1HG2 THR 16 13.417 -3.671 3.774 146 H HIS 17 H HIS 17 15.358 -6.143 1.928 147 HA HIS 17 HA HIS 17 18.103 -5.153 1.562 148 1HB HIS 17 HB2 HIS 17 16.258 -6.653 -0.298 149 2HB HIS 17 HB3 HIS 17 17.763 -5.916 -0.832 150 HD1 HIS 17 HD1 HIS 17 16.436 -8.737 1.251 151 HD2 HIS 17 HD2 HIS 17 20.081 -7.292 -0.126 152 HE1 HIS 17 HE1 HIS 17 18.106 -10.551 1.742 153 HE2 HIS 17 HE2 HIS 17 20.318 -9.623 0.970 154 H VAL 18 H VAL 18 18.109 -3.930 -0.772 155 HA VAL 18 HA VAL 18 16.317 -1.659 -0.330 156 HB VAL 18 HB VAL 18 18.712 -1.167 -0.454 157 1HG1 VAL 18 3HG1 VAL 18 19.399 -2.960 -1.951 158 2HG1 VAL 18 2HG1 VAL 18 18.525 -2.202 -3.281 159 3HG1 VAL 18 1HG1 VAL 18 19.923 -1.395 -2.571 160 1HG2 VAL 18 1HG2 VAL 18 17.093 0.525 -1.157 161 2HG2 VAL 18 3HG2 VAL 18 18.594 0.651 -2.076 162 3HG2 VAL 18 2HG2 VAL 18 17.169 -0.086 -2.810 163 H GLY 19 H GLY 19 14.838 -0.972 -1.735 164 1HA GLY 19 HA3 GLY 19 14.725 -1.409 -4.483 165 2HA GLY 19 HA2 GLY 19 13.355 -1.011 -3.468 166 H LYS 20 H LYS 20 14.263 -3.721 -2.051 167 HA LYS 20 HA LYS 20 13.611 -5.750 -3.887 168 1HB LYS 20 HB2 LYS 20 14.541 -5.711 -1.323 169 2HB LYS 20 HB3 LYS 20 12.891 -6.243 -1.072 170 1HG LYS 20 HG2 LYS 20 14.033 -8.226 -1.314 171 2HG LYS 20 HG3 LYS 20 13.396 -7.946 -2.939 172 1HD LYS 20 HD2 LYS 20 15.477 -7.173 -3.727 173 2HD LYS 20 HD3 LYS 20 16.103 -7.002 -2.091 174 1HE LYS 20 HE2 LYS 20 15.457 -9.583 -3.513 175 2HE LYS 20 HE3 LYS 20 17.068 -8.960 -3.161 176 1HZ LYS 20 HZ1 LYS 20 16.587 -9.156 -0.801 177 2HZ LYS 20 HZ3 LYS 20 15.044 -9.760 -1.141 178 3HZ LYS 20 HZ2 LYS 20 16.415 -10.651 -1.573 179 H THR 21 H THR 21 11.823 -4.879 -4.988 180 HA THR 21 HA THR 21 9.470 -3.899 -4.144 181 HB THR 21 HB THR 21 9.556 -6.065 -6.239 182 HG1 THR 21 HG1 THR 21 9.956 -4.111 -7.622 183 1HG2 THR 21 3HG2 THR 21 7.334 -5.229 -5.631 184 2HG2 THR 21 2HG2 THR 21 7.869 -3.577 -5.938 185 3HG2 THR 21 1HG2 THR 21 7.774 -4.735 -7.267 186 H THR 22 H THR 22 8.562 -4.548 -2.285 187 HA THR 22 HA THR 22 8.013 -7.376 -1.839 188 HB THR 22 HB THR 22 7.606 -4.965 -0.055 189 HG1 THR 22 HG1 THR 22 9.280 -6.629 1.033 190 1HG2 THR 22 1HG2 THR 22 5.944 -6.729 0.406 191 2HG2 THR 22 3HG2 THR 22 7.256 -7.889 0.619 192 3HG2 THR 22 2HG2 THR 22 7.090 -6.528 1.733 193 H GLU 23 H GLU 23 6.374 -7.923 -3.169 194 HA GLU 23 HA GLU 23 4.004 -6.337 -3.416 195 1HB GLU 23 HB2 GLU 23 4.936 -7.729 -5.255 196 2HB GLU 23 HB3 GLU 23 4.538 -9.164 -4.320 197 1HG GLU 23 HG2 GLU 23 2.210 -8.725 -4.473 198 2HG GLU 23 HG3 GLU 23 2.506 -7.117 -5.139 199 H ILE 24 H ILE 24 2.166 -6.531 -2.301 200 HA ILE 24 HA ILE 24 1.831 -8.887 -0.583 201 HB ILE 24 HB ILE 24 1.249 -6.072 0.291 202 1HG1 ILE 24 2HG1 ILE 24 3.541 -7.888 1.060 203 2HG1 ILE 24 3HG1 ILE 24 3.667 -6.431 0.083 204 1HG2 ILE 24 2HG2 ILE 24 -0.183 -7.786 1.289 205 2HG2 ILE 24 1HG2 ILE 24 1.248 -8.671 1.820 206 3HG2 ILE 24 3HG2 ILE 24 0.900 -7.074 2.487 207 1HD1 ILE 24 1HD1 ILE 24 2.908 -5.102 1.998 208 2HD1 ILE 24 3HD1 ILE 24 2.859 -6.570 2.974 209 3HD1 ILE 24 2HD1 ILE 24 4.395 -5.990 2.331 210 H HIS 25 H HIS 25 0.146 -9.834 -1.552 211 HA HIS 25 HA HIS 25 -2.138 -8.292 -2.440 212 1HB HIS 25 HB2 HIS 25 -2.025 -11.290 -2.292 213 2HB HIS 25 HB3 HIS 25 -2.937 -10.280 -3.399 214 HD1 HIS 25 HD1 HIS 25 -0.065 -12.361 -3.341 215 HD2 HIS 25 HD2 HIS 25 -1.023 -8.762 -5.183 216 HE1 HIS 25 HE1 HIS 25 1.559 -12.127 -5.247 217 HE2 HIS 25 HE2 HIS 25 0.879 -10.003 -6.418 218 H LEU 26 H LEU 26 -3.207 -7.484 -0.718 219 HA LEU 26 HA LEU 26 -3.729 -9.165 1.608 220 1HB LEU 26 HB2 LEU 26 -4.516 -6.300 1.131 221 2HB LEU 26 HB3 LEU 26 -4.565 -7.154 2.658 222 HG LEU 26 HG LEU 26 -1.965 -6.754 1.208 223 1HD1 LEU 26 1HD1 LEU 26 -2.977 -4.545 1.413 224 2HD1 LEU 26 3HD1 LEU 26 -3.263 -4.827 3.131 225 3HD1 LEU 26 2HD1 LEU 26 -1.613 -4.720 2.517 226 1HD2 LEU 26 3HD2 LEU 26 -2.078 -8.350 3.084 227 2HD2 LEU 26 2HD2 LEU 26 -1.025 -6.975 3.424 228 3HD2 LEU 26 1HD2 LEU 26 -2.639 -7.047 4.133 229 H LYS 27 H LYS 27 -5.791 -9.703 2.300 230 HA LYS 27 HA LYS 27 -7.797 -9.675 0.177 231 1HB LYS 27 HB2 LYS 27 -7.962 -11.174 2.783 232 2HB LYS 27 HB3 LYS 27 -8.877 -11.463 1.313 233 1HG LYS 27 HG2 LYS 27 -6.729 -12.069 0.186 234 2HG LYS 27 HG3 LYS 27 -5.950 -11.976 1.768 235 1HD LYS 27 HD2 LYS 27 -7.468 -13.699 2.619 236 2HD LYS 27 HD3 LYS 27 -8.241 -13.797 1.036 237 1HE LYS 27 HE2 LYS 27 -5.353 -14.417 1.642 238 2HE LYS 27 HE3 LYS 27 -6.626 -15.600 1.343 239 1HZ LYS 27 HZ1 LYS 27 -6.883 -14.703 -0.888 240 2HZ LYS 27 HZ3 LYS 27 -5.653 -13.575 -0.601 241 3HZ LYS 27 HZ2 LYS 27 -5.295 -15.228 -0.631 242 H GLY 28 H GLY 28 -10.068 -9.325 0.799 243 1HA GLY 28 HA3 GLY 28 -10.327 -6.810 2.102 244 2HA GLY 28 HA2 GLY 28 -10.932 -8.103 3.122 245 H ASN 29 H ASN 29 -12.176 -5.797 1.562 246 HA ASN 29 HA ASN 29 -13.772 -6.840 -0.505 247 1HB ASN 29 HB2 ASN 29 -14.703 -8.168 1.405 248 2HB ASN 29 HB3 ASN 29 -15.203 -6.655 2.154 249 1HD2 ASN 29 1HD2 ASN 29 -17.367 -7.187 2.092 250 2HD2 ASN 29 2HD2 ASN 29 -18.276 -7.217 0.623 251 HA PRO 30 HA PRO 30 -13.486 -2.242 -0.304 252 1HB PRO 30 HB2 PRO 30 -14.344 -2.741 -3.113 253 2HB PRO 30 HB3 PRO 30 -13.096 -1.654 -2.494 254 1HG PRO 30 HG2 PRO 30 -12.422 -3.940 -3.661 255 2HG PRO 30 HG3 PRO 30 -11.555 -3.377 -2.219 256 1HD PRO 30 HD2 PRO 30 -13.630 -5.511 -2.472 257 2HD PRO 30 HD3 PRO 30 -12.176 -5.465 -1.455 258 H THR 31 H THR 31 -16.062 -4.415 -1.063 259 HA THR 31 HA THR 31 -18.043 -2.338 -1.411 260 HB THR 31 HB THR 31 -19.669 -4.154 -1.558 261 HG1 THR 31 HG1 THR 31 -19.200 -5.919 -0.499 262 1HG2 THR 31 1HG2 THR 31 -18.402 -3.576 -3.567 263 2HG2 THR 31 3HG2 THR 31 -17.150 -4.735 -3.118 264 3HG2 THR 31 2HG2 THR 31 -18.769 -5.300 -3.530 265 H THR 32 H THR 32 -16.431 -2.996 1.205 266 HA THR 32 HA THR 32 -18.696 -3.317 3.032 267 HB THR 32 HB THR 32 -16.970 -3.477 4.815 268 HG1 THR 32 HG1 THR 32 -15.072 -2.712 4.281 269 1HG2 THR 32 2HG2 THR 32 -16.604 -5.367 2.488 270 2HG2 THR 32 1HG2 THR 32 -16.112 -5.683 4.151 271 3HG2 THR 32 3HG2 THR 32 -17.821 -5.503 3.758 272 H GLY 33 H GLY 33 -15.782 -1.246 2.942 273 1HA GLY 33 HA3 GLY 33 -17.076 0.758 4.555 274 2HA GLY 33 HA2 GLY 33 -16.918 1.224 2.869 275 H TYR 34 H TYR 34 -14.629 -0.687 4.774 276 HA TYR 34 HA TYR 34 -12.840 1.567 5.069 277 1HB TYR 34 HB2 TYR 34 -12.606 -1.334 5.867 278 2HB TYR 34 HB3 TYR 34 -11.331 -0.152 6.138 279 HD1 TYR 34 HD1 TYR 34 -14.779 -1.099 7.046 280 HD2 TYR 34 HD2 TYR 34 -11.460 1.419 7.941 281 HE1 TYR 34 HE1 TYR 34 -15.840 -0.463 9.171 282 HE2 TYR 34 HE2 TYR 34 -12.517 2.058 10.067 283 HH TYR 34 HH TYR 34 -15.175 0.411 11.373 284 H MET 35 H MET 35 -10.384 0.800 4.684 285 HA MET 35 HA MET 35 -10.042 -0.465 2.106 286 1HB MET 35 HB2 MET 35 -10.253 1.652 1.225 287 2HB MET 35 HB3 MET 35 -9.693 2.432 2.698 288 1HG MET 35 HG2 MET 35 -7.406 1.539 2.153 289 2HG MET 35 HG3 MET 35 -8.060 1.100 0.591 290 1HE MET 35 HE3 MET 35 -6.172 2.502 -0.571 291 2HE MET 35 HE2 MET 35 -7.706 2.655 -1.425 292 3HE MET 35 HE1 MET 35 -6.693 4.075 -1.173 293 H TRP 36 H TRP 36 -7.945 -1.182 1.779 294 HA TRP 36 HA TRP 36 -6.235 -1.114 4.169 295 1HB TRP 36 HB2 TRP 36 -6.926 -3.189 2.252 296 2HB TRP 36 HB3 TRP 36 -5.190 -3.009 2.442 297 HD1 TRP 36 HD1 TRP 36 -7.945 -4.889 3.849 298 HE1 TRP 36 HE1 TRP 36 -7.382 -5.804 6.189 299 HE3 TRP 36 HE3 TRP 36 -3.813 -2.051 4.862 300 HZ2 TRP 36 HZ2 TRP 36 -5.449 -5.379 8.194 301 HZ3 TRP 36 HZ3 TRP 36 -2.668 -2.370 7.016 302 HH2 TRP 36 HH2 TRP 36 -3.470 -3.999 8.646 303 H THR 37 H THR 37 -5.292 0.898 3.707 304 HA THR 37 HA THR 37 -3.367 0.807 1.480 305 HB THR 37 HB THR 37 -5.292 2.288 0.920 306 HG1 THR 37 HG1 THR 37 -3.924 4.057 0.315 307 1HG2 THR 37 1HG2 THR 37 -5.807 3.081 3.180 308 2HG2 THR 37 3HG2 THR 37 -4.266 3.937 3.243 309 3HG2 THR 37 2HG2 THR 37 -5.506 4.435 2.092 310 H ARG 38 H ARG 38 -1.942 3.090 1.932 311 HA ARG 38 HA ARG 38 -0.406 2.386 4.232 312 1HB ARG 38 HB2 ARG 38 -0.121 4.129 1.936 313 2HB ARG 38 HB3 ARG 38 0.404 4.932 3.407 314 1HG ARG 38 HG2 ARG 38 2.278 3.750 3.499 315 2HG ARG 38 HG3 ARG 38 1.421 2.233 3.236 316 1HD ARG 38 HD2 ARG 38 2.269 4.179 1.095 317 2HD ARG 38 HD3 ARG 38 3.037 2.654 1.453 318 HE ARG 38 HE ARG 38 0.780 3.027 -0.174 319 1HH1 ARG 38 1HH1 ARG 38 2.097 0.858 2.207 320 2HH1 ARG 38 2HH1 ARG 38 1.195 -0.512 1.651 321 1HH2 ARG 38 1HH2 ARG 38 -0.416 1.214 -0.914 322 2HH2 ARG 38 2HH2 ARG 38 -0.228 -0.309 -0.116 323 H VAL 39 H VAL 39 -0.123 3.500 6.164 324 HA VAL 39 HA VAL 39 -2.385 4.714 7.290 325 HB VAL 39 HB VAL 39 0.490 4.740 8.224 326 1HG1 VAL 39 3HG1 VAL 39 -2.000 5.614 9.684 327 2HG1 VAL 39 2HG1 VAL 39 -0.419 5.383 10.430 328 3HG1 VAL 39 1HG1 VAL 39 -0.643 6.635 9.208 329 1HG2 VAL 39 1HG2 VAL 39 -0.721 2.541 8.068 330 2HG2 VAL 39 3HG2 VAL 39 -0.120 2.959 9.673 331 3HG2 VAL 39 2HG2 VAL 39 -1.833 3.150 9.293 332 H GLY 40 H GLY 40 -3.018 6.783 7.587 333 1HA GLY 40 HA3 GLY 40 -1.320 9.041 7.326 334 2HA GLY 40 HA2 GLY 40 -3.073 9.072 7.415 335 H PHE 41 H PHE 41 -2.301 7.045 4.929 336 HA PHE 41 HA PHE 41 -2.341 9.242 2.968 337 1HB PHE 41 HB2 PHE 41 -1.209 6.454 2.668 338 2HB PHE 41 HB3 PHE 41 -1.265 7.660 1.390 339 HD1 PHE 41 HD1 PHE 41 1.215 6.264 2.441 340 HD2 PHE 41 HD2 PHE 41 -0.629 9.958 3.485 341 HE1 PHE 41 HE1 PHE 41 3.390 7.138 3.185 342 HE2 PHE 41 HE2 PHE 41 1.546 10.837 4.225 343 HZ PHE 41 HZ PHE 41 3.558 9.426 4.078 344 H VAL 42 H VAL 42 -4.685 8.337 4.159 345 HA VAL 42 HA VAL 42 -5.977 6.447 2.407 346 HB VAL 42 HB VAL 42 -6.608 6.475 4.746 347 1HG1 VAL 42 3HG1 VAL 42 -6.157 8.838 5.205 348 2HG1 VAL 42 2HG1 VAL 42 -7.588 9.286 4.275 349 3HG1 VAL 42 1HG1 VAL 42 -7.759 8.356 5.764 350 1HG2 VAL 42 1HG2 VAL 42 -8.801 7.440 2.918 351 2HG2 VAL 42 3HG2 VAL 42 -8.315 5.770 3.210 352 3HG2 VAL 42 2HG2 VAL 42 -9.066 6.707 4.501 353 H GLY 43 H GLY 43 -7.089 6.891 0.615 354 1HA GLY 43 HA3 GLY 43 -8.542 9.323 0.240 355 2HA GLY 43 HA2 GLY 43 -8.325 8.048 -0.947 356 H LYS 44 H LYS 44 -5.362 9.109 0.290 357 HA LYS 44 HA LYS 44 -4.938 11.428 -1.246 358 1HB LYS 44 HB2 LYS 44 -3.033 9.425 -0.040 359 2HB LYS 44 HB3 LYS 44 -2.496 10.876 -0.869 360 1HG LYS 44 HG2 LYS 44 -3.921 12.179 0.765 361 2HG LYS 44 HG3 LYS 44 -4.070 10.674 1.675 362 1HD LYS 44 HD2 LYS 44 -1.656 10.553 1.916 363 2HD LYS 44 HD3 LYS 44 -1.466 12.012 0.943 364 1HE LYS 44 HE2 LYS 44 -2.883 11.829 3.598 365 2HE LYS 44 HE3 LYS 44 -1.272 12.496 3.331 366 1HZ LYS 44 HZ1 LYS 44 -2.256 14.193 1.912 367 2HZ LYS 44 HZ3 LYS 44 -3.801 13.559 2.191 368 3HZ LYS 44 HZ2 LYS 44 -2.923 14.242 3.465 369 H ASP 45 H ASP 45 -3.075 11.479 -2.900 370 HA ASP 45 HA ASP 45 -3.873 9.829 -5.114 371 1HB ASP 45 HB2 ASP 45 -1.973 12.127 -4.751 372 2HB ASP 45 HB3 ASP 45 -1.992 11.200 -6.242 373 H VAL 46 H VAL 46 -0.679 10.606 -3.767 374 HA VAL 46 HA VAL 46 0.244 7.929 -4.566 375 HB VAL 46 HB VAL 46 1.456 9.975 -5.433 376 1HG1 VAL 46 3HG1 VAL 46 1.361 11.307 -3.388 377 2HG1 VAL 46 2HG1 VAL 46 2.402 10.136 -2.577 378 3HG1 VAL 46 1HG1 VAL 46 3.024 11.080 -3.931 379 1HG2 VAL 46 2HG2 VAL 46 3.025 7.980 -3.803 380 2HG2 VAL 46 1HG2 VAL 46 2.466 7.763 -5.461 381 3HG2 VAL 46 3HG2 VAL 46 3.678 8.990 -5.093 382 H LEU 47 H LEU 47 0.898 6.507 -3.155 383 HA LEU 47 HA LEU 47 0.473 7.003 -0.343 384 1HB LEU 47 HB2 LEU 47 1.527 4.510 -1.671 385 2HB LEU 47 HB3 LEU 47 0.761 4.633 -0.100 386 HG LEU 47 HG LEU 47 -0.598 5.091 -2.765 387 1HD1 LEU 47 3HD1 LEU 47 -0.783 2.792 -0.834 388 2HD1 LEU 47 2HD1 LEU 47 -1.800 3.018 -2.258 389 3HD1 LEU 47 1HD1 LEU 47 -0.065 2.764 -2.443 390 1HD2 LEU 47 1HD2 LEU 47 -1.719 5.052 0.035 391 2HD2 LEU 47 3HD2 LEU 47 -1.591 6.457 -1.025 392 3HD2 LEU 47 2HD2 LEU 47 -2.672 5.128 -1.448 393 H SER 48 H SER 48 3.107 5.564 -2.208 394 HA SER 48 HA SER 48 5.139 5.709 -0.370 395 1HB SER 48 HB2 SER 48 6.649 5.524 -2.228 396 2HB SER 48 HB3 SER 48 5.199 4.616 -2.633 397 HG SER 48 HG SER 48 4.898 5.897 -4.259 398 H ASP 49 H ASP 49 7.194 7.169 -0.780 399 HA ASP 49 HA ASP 49 6.556 9.917 -1.423 400 1HB ASP 49 HB2 ASP 49 7.186 9.050 1.393 401 2HB ASP 49 HB3 ASP 49 7.447 10.701 0.837 402 H GLU 50 H GLU 50 9.053 9.017 0.841 403 HA GLU 50 HA GLU 50 11.076 9.239 -1.280 404 1HB GLU 50 HB2 GLU 50 12.432 10.634 0.166 405 2HB GLU 50 HB3 GLU 50 10.842 11.360 -0.035 406 1HG GLU 50 HG2 GLU 50 10.167 10.441 2.141 407 2HG GLU 50 HG3 GLU 50 11.798 9.803 2.354 408 H ILE 51 H ILE 51 10.117 7.973 1.826 409 HA ILE 51 HA ILE 51 12.537 6.595 2.412 410 HB ILE 51 HB ILE 51 9.790 5.894 3.430 411 1HG1 ILE 51 2HG1 ILE 51 10.249 8.329 3.649 412 2HG1 ILE 51 3HG1 ILE 51 10.105 7.506 5.195 413 1HG2 ILE 51 2HG2 ILE 51 12.547 5.552 4.602 414 2HG2 ILE 51 1HG2 ILE 51 11.035 5.159 5.421 415 3HG2 ILE 51 3HG2 ILE 51 11.506 4.277 3.969 416 1HD1 ILE 51 3HD1 ILE 51 12.705 8.228 3.864 417 2HD1 ILE 51 2HD1 ILE 51 11.927 9.154 5.148 418 3HD1 ILE 51 1HD1 ILE 51 12.504 7.517 5.466 419 H LEU 52 H LEU 52 9.363 5.109 1.850 420 HA LEU 52 HA LEU 52 10.739 2.964 0.366 421 1HB LEU 52 HB2 LEU 52 8.031 2.762 1.668 422 2HB LEU 52 HB3 LEU 52 9.024 1.457 1.054 423 HG LEU 52 HG LEU 52 9.620 3.131 3.491 424 1HD1 LEU 52 3HD1 LEU 52 8.761 0.255 3.213 425 2HD1 LEU 52 2HD1 LEU 52 9.206 1.057 4.719 426 3HD1 LEU 52 1HD1 LEU 52 7.775 1.579 3.832 427 1HD2 LEU 52 2HD2 LEU 52 11.112 0.788 2.324 428 2HD2 LEU 52 1HD2 LEU 52 11.669 2.460 2.364 429 3HD2 LEU 52 3HD2 LEU 52 11.460 1.563 3.868 430 H GLU 53 H GLU 53 10.359 2.853 -1.755 431 HA GLU 53 HA GLU 53 8.416 4.456 -3.060 432 1HB GLU 53 HB2 GLU 53 10.534 2.594 -3.808 433 2HB GLU 53 HB3 GLU 53 9.137 2.474 -4.866 434 1HG GLU 53 HG2 GLU 53 10.089 5.189 -4.259 435 2HG GLU 53 HG3 GLU 53 11.153 4.181 -5.238 436 H VAL 54 H VAL 54 6.582 3.678 -1.709 437 HA VAL 54 HA VAL 54 5.631 1.010 -2.123 438 HB VAL 54 HB VAL 54 3.745 3.057 -1.112 439 1HG1 VAL 54 2HG1 VAL 54 4.532 0.239 -0.425 440 2HG1 VAL 54 1HG1 VAL 54 3.416 1.182 0.559 441 3HG1 VAL 54 3HG1 VAL 54 3.017 0.818 -1.119 442 1HG2 VAL 54 3HG2 VAL 54 6.208 2.222 0.416 443 2HG2 VAL 54 2HG2 VAL 54 5.768 3.856 -0.081 444 3HG2 VAL 54 1HG2 VAL 54 4.799 3.012 1.124 445 H VAL 55 H VAL 55 5.293 0.722 -4.286 446 HA VAL 55 HA VAL 55 3.316 2.406 -5.614 447 HB VAL 55 HB VAL 55 4.817 0.068 -6.776 448 1HG1 VAL 55 2HG1 VAL 55 2.709 0.927 -7.872 449 2HG1 VAL 55 1HG1 VAL 55 3.589 2.420 -8.195 450 3HG1 VAL 55 3HG1 VAL 55 4.150 0.899 -8.891 451 1HG2 VAL 55 1HG2 VAL 55 5.569 2.994 -6.826 452 2HG2 VAL 55 3HG2 VAL 55 6.439 1.704 -5.994 453 3HG2 VAL 55 2HG2 VAL 55 6.361 1.722 -7.756 454 H CYS 56 H CYS 56 1.499 1.735 -4.474 455 HA CYS 56 HA CYS 56 0.755 -1.089 -4.775 456 1HB CYS 56 HB2 CYS 56 0.669 -0.603 -2.496 457 2HB CYS 56 HB3 CYS 56 -0.008 0.995 -2.763 458 HG CYS 56 HG CYS 56 -2.334 0.186 -2.046 459 H LYS 57 H LYS 57 -1.119 -1.697 -5.676 460 HA LYS 57 HA LYS 57 -2.751 0.408 -6.920 461 1HB LYS 57 HB2 LYS 57 -2.449 -2.377 -8.008 462 2HB LYS 57 HB3 LYS 57 -3.070 -0.953 -8.826 463 1HG LYS 57 HG2 LYS 57 -0.858 0.022 -8.889 464 2HG LYS 57 HG3 LYS 57 -0.207 -1.345 -7.982 465 1HD LYS 57 HD2 LYS 57 -0.877 -2.848 -9.821 466 2HD LYS 57 HD3 LYS 57 -1.442 -1.446 -10.734 467 1HE LYS 57 HE2 LYS 57 0.790 -2.135 -11.451 468 2HE LYS 57 HE3 LYS 57 0.812 -0.523 -10.737 469 1HZ LYS 57 HZ2 LYS 57 1.602 -3.032 -9.358 470 2HZ LYS 57 HZ1 LYS 57 2.664 -1.861 -9.959 471 3HZ LYS 57 HZ3 LYS 57 1.627 -1.484 -8.676 472 H TYR 58 H TYR 58 -4.662 0.516 -5.985 473 HA TYR 58 HA TYR 58 -5.685 -1.702 -4.451 474 1HB TYR 58 HB2 TYR 58 -5.919 0.702 -3.715 475 2HB TYR 58 HB3 TYR 58 -7.067 0.927 -5.033 476 HD1 TYR 58 HD1 TYR 58 -8.727 -1.448 -4.946 477 HD2 TYR 58 HD2 TYR 58 -7.074 0.792 -1.712 478 HE1 TYR 58 HE1 TYR 58 -10.538 -2.243 -3.504 479 HE2 TYR 58 HE2 TYR 58 -8.905 0.019 -0.262 480 HH TYR 58 HH TYR 58 -11.201 -0.844 -0.475 481 H THR 59 H THR 59 -6.341 -3.333 -5.703 482 HA THR 59 HA THR 59 -8.069 -2.771 -8.000 483 HB THR 59 HB THR 59 -7.348 -5.575 -7.370 484 HG1 THR 59 HG1 THR 59 -5.347 -3.922 -8.502 485 1HG2 THR 59 3HG2 THR 59 -8.528 -4.922 -9.431 486 2HG2 THR 59 2HG2 THR 59 -7.165 -3.896 -9.880 487 3HG2 THR 59 1HG2 THR 59 -6.958 -5.645 -9.786 488 HA PRO 60 HA PRO 60 -11.396 -4.103 -5.295 489 1HB PRO 60 HB2 PRO 60 -13.317 -2.678 -6.481 490 2HB PRO 60 HB3 PRO 60 -12.059 -1.898 -5.520 491 1HG PRO 60 HG2 PRO 60 -12.428 -1.960 -8.453 492 2HG PRO 60 HG3 PRO 60 -11.612 -0.755 -7.447 493 1HD PRO 60 HD2 PRO 60 -10.433 -2.888 -8.946 494 2HD PRO 60 HD3 PRO 60 -9.625 -1.687 -7.919 495 H THR 61 H THR 61 -13.880 -4.580 -6.010 496 HA THR 61 HA THR 61 -13.860 -7.074 -7.263 497 HB THR 61 HB THR 61 -16.340 -5.393 -7.219 498 HG1 THR 61 HG1 THR 61 -14.735 -5.996 -5.076 499 1HG2 THR 61 1HG2 THR 61 -16.489 -7.674 -8.081 500 2HG2 THR 61 3HG2 THR 61 -15.799 -8.293 -6.581 501 3HG2 THR 61 2HG2 THR 61 -17.382 -7.514 -6.568 502 HA PRO 62 HA PRO 62 -13.588 -6.293 -11.615 503 1HB PRO 62 HB2 PRO 62 -15.457 -8.270 -12.341 504 2HB PRO 62 HB3 PRO 62 -13.710 -8.478 -12.200 505 1HG PRO 62 HG2 PRO 62 -15.860 -9.107 -10.230 506 2HG PRO 62 HG3 PRO 62 -14.357 -9.983 -10.569 507 1HD PRO 62 HD2 PRO 62 -14.591 -8.477 -8.390 508 2HD PRO 62 HD3 PRO 62 -13.074 -8.487 -9.317 509 H SER 63 H SER 63 -14.810 -5.453 -13.340 510 HA SER 63 HA SER 63 -17.194 -4.037 -12.503 511 1HB SER 63 HB2 SER 63 -15.692 -3.985 -15.134 512 2HB SER 63 HB3 SER 63 -16.997 -2.891 -14.678 513 HG SER 63 HG SER 63 -14.710 -3.145 -13.057 514 H SER 64 H SER 64 -18.634 -3.814 -14.825 515 HA SER 64 HA SER 64 -20.103 -6.265 -14.817 516 1HB SER 64 HB2 SER 64 -21.241 -4.104 -15.032 517 2HB SER 64 HB3 SER 64 -20.414 -3.808 -16.560 518 HG SER 64 HG SER 64 -21.843 -4.999 -17.522 519 H THR 65 H THR 65 -17.298 -5.506 -16.313 520 HA THR 65 HA THR 65 -17.733 -6.465 -18.953 521 HB THR 65 HB THR 65 -15.265 -6.631 -19.087 522 HG1 THR 65 HG1 THR 65 -14.803 -7.227 -16.944 523 1HG2 THR 65 1HG2 THR 65 -16.283 -4.086 -17.816 524 2HG2 THR 65 3HG2 THR 65 -14.794 -4.245 -18.749 525 3HG2 THR 65 2HG2 THR 65 -16.355 -4.491 -19.531 526 HA PRO 66 HA PRO 66 -17.575 -10.837 -18.311 527 1HB PRO 66 HB2 PRO 66 -16.660 -11.712 -20.670 528 2HB PRO 66 HB3 PRO 66 -18.234 -10.913 -20.541 529 1HG PRO 66 HG2 PRO 66 -15.582 -9.740 -21.339 530 2HG PRO 66 HG3 PRO 66 -17.147 -9.597 -22.167 531 1HD PRO 66 HD2 PRO 66 -16.196 -7.672 -20.526 532 2HD PRO 66 HD3 PRO 66 -17.932 -8.029 -20.655 533 H MET 67 H MET 67 -15.006 -9.054 -17.982 534 HA MET 67 HA MET 67 -12.783 -10.679 -18.524 535 1HB MET 67 HB2 MET 67 -13.109 -8.579 -16.376 536 2HB MET 67 HB3 MET 67 -11.577 -9.254 -16.913 537 1HG MET 67 HG2 MET 67 -13.491 -7.663 -18.607 538 2HG MET 67 HG3 MET 67 -11.995 -7.064 -17.890 539 1HE MET 67 HE2 MET 67 -10.031 -9.524 -18.263 540 2HE MET 67 HE1 MET 67 -9.281 -9.122 -19.808 541 3HE MET 67 HE3 MET 67 -9.578 -7.856 -18.617 542 H VAL 68 H VAL 68 -15.134 -10.776 -16.030 543 HA VAL 68 HA VAL 68 -15.428 -12.034 -14.160 544 HB VAL 68 HB VAL 68 -13.940 -13.910 -15.968 545 1HG1 VAL 68 2HG1 VAL 68 -15.231 -14.539 -13.314 546 2HG1 VAL 68 1HG1 VAL 68 -14.726 -15.747 -14.495 547 3HG1 VAL 68 3HG1 VAL 68 -13.526 -14.708 -13.729 548 1HG2 VAL 68 1HG2 VAL 68 -16.130 -13.206 -16.732 549 2HG2 VAL 68 3HG2 VAL 68 -16.159 -14.907 -16.271 550 3HG2 VAL 68 2HG2 VAL 68 -16.843 -13.691 -15.193 551 H GLY 69 H GLY 69 -14.412 -11.177 -12.433 552 1HA GLY 69 HA3 GLY 69 -11.991 -12.428 -11.523 553 2HA GLY 69 HA2 GLY 69 -12.909 -11.195 -10.675 554 H VAL 70 H VAL 70 -12.374 -9.040 -10.923 555 HA VAL 70 HA VAL 70 -9.771 -8.573 -12.198 556 HB VAL 70 HB VAL 70 -12.081 -6.635 -12.410 557 1HG1 VAL 70 2HG1 VAL 70 -9.338 -6.643 -13.666 558 2HG1 VAL 70 1HG1 VAL 70 -10.615 -5.478 -14.010 559 3HG1 VAL 70 3HG1 VAL 70 -9.906 -5.557 -12.397 560 1HG2 VAL 70 2HG2 VAL 70 -10.943 -8.483 -14.506 561 2HG2 VAL 70 1HG2 VAL 70 -12.538 -8.604 -13.762 562 3HG2 VAL 70 3HG2 VAL 70 -12.147 -7.226 -14.791 563 H GLY 71 H GLY 71 -9.311 -8.917 -9.806 564 1HA GLY 71 HA3 GLY 71 -9.461 -6.292 -8.466 565 2HA GLY 71 HA2 GLY 71 -8.122 -7.415 -8.294 566 H GLY 72 H GLY 72 -10.119 -6.102 -6.399 567 1HA GLY 72 HA3 GLY 72 -11.320 -8.488 -5.200 568 2HA GLY 72 HA2 GLY 72 -11.664 -6.823 -4.759 569 H ILE 73 H ILE 73 -8.560 -6.512 -4.878 570 HA ILE 73 HA ILE 73 -8.190 -7.110 -2.062 571 HB ILE 73 HB ILE 73 -5.938 -8.073 -2.483 572 1HG1 ILE 73 2HG1 ILE 73 -6.807 -8.774 -5.249 573 2HG1 ILE 73 3HG1 ILE 73 -6.008 -7.232 -4.947 574 1HG2 ILE 73 1HG2 ILE 73 -7.910 -9.437 -1.898 575 2HG2 ILE 73 3HG2 ILE 73 -8.144 -9.754 -3.618 576 3HG2 ILE 73 2HG2 ILE 73 -6.673 -10.304 -2.808 577 1HD1 ILE 73 2HD1 ILE 73 -4.113 -8.436 -3.950 578 2HD1 ILE 73 1HD1 ILE 73 -4.906 -9.963 -4.335 579 3HD1 ILE 73 3HD1 ILE 73 -4.393 -8.886 -5.634 580 H TYR 74 H TYR 74 -5.495 -6.598 -1.891 581 HA TYR 74 HA TYR 74 -5.130 -3.924 -3.042 582 1HB TYR 74 HB2 TYR 74 -4.239 -4.433 -0.236 583 2HB TYR 74 HB3 TYR 74 -4.751 -2.927 -0.991 584 HD1 TYR 74 HD1 TYR 74 -6.960 -2.153 -0.750 585 HD2 TYR 74 HD2 TYR 74 -6.028 -6.149 0.363 586 HE1 TYR 74 HE1 TYR 74 -9.180 -2.386 0.288 587 HE2 TYR 74 HE2 TYR 74 -8.239 -6.388 1.396 588 HH TYR 74 HH TYR 74 -9.996 -4.953 2.341 589 H VAL 75 H VAL 75 -3.372 -4.246 -4.345 590 HA VAL 75 HA VAL 75 -1.228 -5.980 -3.354 591 HB VAL 75 HB VAL 75 -1.986 -6.568 -5.574 592 1HG1 VAL 75 3HG1 VAL 75 -1.305 -3.734 -6.326 593 2HG1 VAL 75 2HG1 VAL 75 -1.676 -5.018 -7.474 594 3HG1 VAL 75 1HG1 VAL 75 -2.905 -4.479 -6.328 595 1HG2 VAL 75 2HG2 VAL 75 0.376 -6.870 -5.079 596 2HG2 VAL 75 1HG2 VAL 75 0.141 -6.463 -6.779 597 3HG2 VAL 75 3HG2 VAL 75 0.718 -5.237 -5.652 598 H VAL 76 H VAL 76 0.424 -5.092 -2.413 599 HA VAL 76 HA VAL 76 1.093 -2.286 -3.021 600 HB VAL 76 HB VAL 76 1.740 -3.812 -0.502 601 1HG1 VAL 76 3HG1 VAL 76 3.209 -1.899 -1.052 602 2HG1 VAL 76 2HG1 VAL 76 1.792 -0.851 -1.050 603 3HG1 VAL 76 1HG1 VAL 76 2.287 -1.666 0.433 604 1HG2 VAL 76 1HG2 VAL 76 -0.696 -3.556 -0.834 605 2HG2 VAL 76 3HG2 VAL 76 -0.090 -2.664 0.561 606 3HG2 VAL 76 2HG2 VAL 76 -0.471 -1.810 -0.933 607 H LEU 77 H LEU 77 3.008 -1.858 -3.944 608 HA LEU 77 HA LEU 77 5.134 -3.891 -3.784 609 1HB LEU 77 HB2 LEU 77 4.615 -1.766 -5.862 610 2HB LEU 77 HB3 LEU 77 6.071 -2.740 -5.813 611 HG LEU 77 HG LEU 77 3.242 -3.714 -6.284 612 1HD1 LEU 77 3HD1 LEU 77 4.256 -2.607 -8.203 613 2HD1 LEU 77 2HD1 LEU 77 5.668 -3.656 -8.073 614 3HD1 LEU 77 1HD1 LEU 77 4.095 -4.341 -8.484 615 1HD2 LEU 77 1HD2 LEU 77 4.889 -5.205 -4.921 616 2HD2 LEU 77 3HD2 LEU 77 3.961 -5.900 -6.250 617 3HD2 LEU 77 2HD2 LEU 77 5.651 -5.462 -6.491 618 H VAL 78 H VAL 78 6.084 -3.207 -1.889 619 HA VAL 78 HA VAL 78 6.854 -0.390 -1.693 620 HB VAL 78 HB VAL 78 7.662 -2.207 0.482 621 1HG1 VAL 78 2HG1 VAL 78 7.813 0.317 0.463 622 2HG1 VAL 78 1HG1 VAL 78 6.050 0.348 0.557 623 3HG1 VAL 78 3HG1 VAL 78 6.995 -0.380 1.859 624 1HG2 VAL 78 1HG2 VAL 78 4.783 -1.766 -0.264 625 2HG2 VAL 78 3HG2 VAL 78 5.608 -3.293 0.049 626 3HG2 VAL 78 2HG2 VAL 78 5.288 -2.173 1.373 627 H LYS 79 H LYS 79 8.636 0.149 -2.684 628 HA LYS 79 HA LYS 79 10.936 -1.680 -2.661 629 1HB LYS 79 HB2 LYS 79 10.001 0.448 -4.548 630 2HB LYS 79 HB3 LYS 79 11.708 0.034 -4.495 631 1HG LYS 79 HG2 LYS 79 11.143 -2.301 -4.989 632 2HG LYS 79 HG3 LYS 79 9.426 -1.858 -5.092 633 1HD LYS 79 HD2 LYS 79 11.621 -0.700 -6.819 634 2HD LYS 79 HD3 LYS 79 10.548 -2.015 -7.304 635 1HE LYS 79 HE2 LYS 79 8.615 -0.538 -7.016 636 2HE LYS 79 HE3 LYS 79 9.692 0.776 -6.542 637 1HZ LYS 79 HZ3 LYS 79 10.719 0.670 -8.729 638 2HZ LYS 79 HZ2 LYS 79 9.677 -0.582 -9.183 639 3HZ LYS 79 HZ1 LYS 79 9.057 0.958 -8.859 640 HA PRO 80 HA PRO 80 12.226 1.270 0.611 641 1HB PRO 80 HB2 PRO 80 14.689 -0.128 0.770 642 2HB PRO 80 HB3 PRO 80 13.319 -0.239 1.874 643 1HG PRO 80 HG2 PRO 80 14.110 -2.032 -0.337 644 2HG PRO 80 HG3 PRO 80 13.196 -2.392 1.136 645 1HD PRO 80 HD2 PRO 80 12.021 -2.262 -1.289 646 2HD PRO 80 HD3 PRO 80 11.184 -1.771 0.199 647 H ARG 81 H ARG 81 12.698 3.157 -0.336 648 HA ARG 81 HA ARG 81 14.599 3.423 -2.459 649 1HB ARG 81 HB2 ARG 81 12.678 5.129 -1.079 650 2HB ARG 81 HB3 ARG 81 14.171 5.967 -1.480 651 1HG ARG 81 HG2 ARG 81 13.914 5.459 -3.800 652 2HG ARG 81 HG3 ARG 81 12.533 4.411 -3.464 653 1HD ARG 81 HD2 ARG 81 11.201 6.253 -2.776 654 2HD ARG 81 HD3 ARG 81 12.586 7.346 -2.804 655 HE ARG 81 HE ARG 81 12.149 6.200 -5.361 656 1HH1 ARG 81 1HH1 ARG 81 10.914 8.613 -3.173 657 2HH1 ARG 81 2HH1 ARG 81 10.250 9.599 -4.431 658 1HH2 ARG 81 1HH2 ARG 81 11.279 7.493 -7.024 659 2HH2 ARG 81 2HH2 ARG 81 10.457 8.963 -6.621 660 H LYS 82 H LYS 82 14.622 3.895 1.013 661 HA LYS 82 HA LYS 82 17.457 4.681 0.852 662 1HB LYS 82 HB2 LYS 82 15.532 5.282 3.100 663 2HB LYS 82 HB3 LYS 82 17.185 5.860 2.949 664 1HG LYS 82 HG2 LYS 82 16.506 7.084 0.895 665 2HG LYS 82 HG3 LYS 82 14.839 6.599 1.217 666 1HD LYS 82 HD2 LYS 82 14.900 7.752 3.360 667 2HD LYS 82 HD3 LYS 82 16.581 8.208 3.079 668 1HE LYS 82 HE2 LYS 82 15.890 9.477 1.092 669 2HE LYS 82 HE3 LYS 82 14.210 9.047 1.415 670 1HZ LYS 82 HZ1 LYS 82 15.962 10.627 3.219 671 2HZ LYS 82 HZ3 LYS 82 14.736 11.256 2.237 672 3HZ LYS 82 HZ2 LYS 82 14.347 10.223 3.518 673 H ARG 83 H ARG 83 18.656 4.116 2.951 674 HA ARG 83 HA ARG 83 17.991 1.337 3.652 675 1HB ARG 83 HB2 ARG 83 20.680 2.707 3.782 676 2HB ARG 83 HB3 ARG 83 20.360 1.006 4.084 677 1HG ARG 83 HG2 ARG 83 19.825 0.614 1.802 678 2HG ARG 83 HG3 ARG 83 19.829 2.342 1.444 679 1HD ARG 83 HD2 ARG 83 21.874 1.242 0.661 680 2HD ARG 83 HD3 ARG 83 22.208 2.458 1.894 681 HE ARG 83 HE ARG 83 21.925 -0.033 3.144 682 1HH1 ARG 83 1HH1 ARG 83 24.096 1.631 0.986 683 2HH1 ARG 83 2HH1 ARG 83 25.492 0.746 1.501 684 1HH2 ARG 83 1HH2 ARG 83 23.759 -1.202 3.830 685 2HH2 ARG 83 2HH2 ARG 83 25.300 -0.865 3.117 686 H GLY 84 H GLY 84 18.101 0.660 5.789 687 1HA GLY 84 HA3 GLY 84 18.075 2.853 7.765 688 2HA GLY 84 HA2 GLY 84 18.945 1.359 8.081 689 H HIS 85 H HIS 85 17.127 2.105 9.899 690 HA HIS 85 HA HIS 85 15.307 -0.086 9.908 691 1HB HIS 85 HB2 HIS 85 15.444 2.319 11.742 692 2HB HIS 85 HB3 HIS 85 14.529 0.846 12.050 693 HD1 HIS 85 HD1 HIS 85 18.022 2.191 11.999 694 HD2 HIS 85 HD2 HIS 85 16.027 -1.327 12.953 695 HE1 HIS 85 HE1 HIS 85 19.709 0.767 13.201 696 HE2 HIS 85 HE2 HIS 85 18.505 -1.391 13.691 697 H HIS 86 H HIS 86 13.651 -0.073 8.493 698 HA HIS 86 HA HIS 86 11.891 2.280 8.545 699 1HB HIS 86 HB2 HIS 86 12.613 0.687 6.082 700 2HB HIS 86 HB3 HIS 86 11.443 2.000 6.146 701 HD1 HIS 86 HD1 HIS 86 12.584 4.369 7.051 702 HD2 HIS 86 HD2 HIS 86 15.083 1.518 5.351 703 HE1 HIS 86 HE1 HIS 86 14.671 5.609 6.396 704 HE2 HIS 86 HE2 HIS 86 16.194 3.851 5.427 705 H THR 87 H THR 87 9.745 1.933 8.482 706 HA THR 87 HA THR 87 8.767 -0.818 8.297 707 HB THR 87 HB THR 87 8.130 1.086 10.558 708 HG1 THR 87 HG1 THR 87 10.138 -0.373 10.468 709 1HG2 THR 87 1HG2 THR 87 7.029 -1.659 9.959 710 2HG2 THR 87 3HG2 THR 87 6.721 -0.727 11.425 711 3HG2 THR 87 2HG2 THR 87 6.141 -0.138 9.867 712 H LEU 88 H LEU 88 6.995 -0.947 7.036 713 HA LEU 88 HA LEU 88 5.765 1.585 6.227 714 1HB LEU 88 HB2 LEU 88 6.522 -0.082 4.511 715 2HB LEU 88 HB3 LEU 88 5.245 -1.142 5.068 716 HG LEU 88 HG LEU 88 3.649 0.804 4.546 717 1HD1 LEU 88 2HD1 LEU 88 5.452 2.483 4.314 718 2HD1 LEU 88 1HD1 LEU 88 5.994 1.651 2.857 719 3HD1 LEU 88 3HD1 LEU 88 4.394 2.392 2.906 720 1HD2 LEU 88 1HD2 LEU 88 5.089 -0.760 2.421 721 2HD2 LEU 88 3HD2 LEU 88 3.580 -1.172 3.234 722 3HD2 LEU 88 2HD2 LEU 88 3.637 0.190 2.115 723 H GLU 89 H GLU 89 4.332 2.188 7.722 724 HA GLU 89 HA GLU 89 2.571 0.350 9.028 725 1HB GLU 89 HB2 GLU 89 2.533 3.371 8.937 726 2HB GLU 89 HB3 GLU 89 1.599 2.368 10.040 727 1HG GLU 89 HG2 GLU 89 3.561 1.607 11.130 728 2HG GLU 89 HG3 GLU 89 4.601 2.344 9.915 729 H LEU 90 H LEU 90 0.697 -0.381 8.322 730 HA LEU 90 HA LEU 90 -0.702 1.117 6.204 731 1HB LEU 90 HB2 LEU 90 -0.804 -1.855 6.743 732 2HB LEU 90 HB3 LEU 90 -1.646 -1.011 5.458 733 HG LEU 90 HG LEU 90 1.313 -1.498 5.720 734 1HD1 LEU 90 2HD1 LEU 90 -0.023 -3.296 4.750 735 2HD1 LEU 90 1HD1 LEU 90 -0.683 -2.169 3.565 736 3HD1 LEU 90 3HD1 LEU 90 1.037 -2.559 3.546 737 1HD2 LEU 90 1HD2 LEU 90 0.980 0.829 5.038 738 2HD2 LEU 90 3HD2 LEU 90 1.637 -0.149 3.726 739 3HD2 LEU 90 2HD2 LEU 90 -0.071 0.292 3.728 740 H VAL 91 H VAL 91 -3.148 0.709 6.241 741 HA VAL 91 HA VAL 91 -4.217 0.066 8.852 742 HB VAL 91 HB VAL 91 -3.463 2.403 9.118 743 1HG1 VAL 91 1HG1 VAL 91 -5.448 2.956 6.913 744 2HG1 VAL 91 3HG1 VAL 91 -4.675 4.187 7.914 745 3HG1 VAL 91 2HG1 VAL 91 -3.699 3.181 6.845 746 1HG2 VAL 91 3HG2 VAL 91 -6.456 2.034 9.139 747 2HG2 VAL 91 2HG2 VAL 91 -5.340 1.600 10.433 748 3HG2 VAL 91 1HG2 VAL 91 -5.573 3.294 10.001 749 H TYR 92 H TYR 92 -6.462 -0.059 8.957 750 HA TYR 92 HA TYR 92 -7.803 -0.338 6.361 751 1HB TYR 92 HB2 TYR 92 -7.623 -2.236 8.162 752 2HB TYR 92 HB3 TYR 92 -8.906 -1.344 8.970 753 HD1 TYR 92 HD1 TYR 92 -10.734 -2.787 8.790 754 HD2 TYR 92 HD2 TYR 92 -8.455 -1.877 5.314 755 HE1 TYR 92 HE1 TYR 92 -12.402 -3.941 7.402 756 HE2 TYR 92 HE2 TYR 92 -10.121 -3.027 3.916 757 HH TYR 92 HH TYR 92 -13.176 -3.938 5.068 758 H THR 93 H THR 93 -8.282 1.873 6.085 759 HA THR 93 HA THR 93 -10.135 3.049 8.061 760 HB THR 93 HB THR 93 -8.152 4.366 7.982 761 HG1 THR 93 HG1 THR 93 -9.241 6.195 6.482 762 1HG2 THR 93 1HG2 THR 93 -8.478 4.383 4.980 763 2HG2 THR 93 3HG2 THR 93 -7.258 5.280 5.884 764 3HG2 THR 93 2HG2 THR 93 -7.237 3.517 5.886 765 H ARG 94 H ARG 94 -11.643 4.700 7.135 766 HA ARG 94 HA ARG 94 -12.785 3.680 4.628 767 1HB ARG 94 HB2 ARG 94 -14.045 5.377 6.788 768 2HB ARG 94 HB3 ARG 94 -14.864 4.791 5.347 769 1HG ARG 94 HG2 ARG 94 -14.466 2.476 6.102 770 2HG ARG 94 HG3 ARG 94 -13.747 3.116 7.581 771 1HD ARG 94 HD2 ARG 94 -16.070 2.488 7.952 772 2HD ARG 94 HD3 ARG 94 -15.852 4.229 8.129 773 HE ARG 94 HE ARG 94 -16.608 3.732 5.493 774 1HH1 ARG 94 1HH1 ARG 94 -17.939 3.450 8.701 775 2HH1 ARG 94 2HH1 ARG 94 -19.575 3.679 8.180 776 1HH2 ARG 94 1HH2 ARG 94 -18.758 4.034 4.800 777 2HH2 ARG 94 2HH2 ARG 94 -20.041 4.010 5.964 778 HA PRO 95 HA PRO 95 -10.760 7.480 2.971 779 1HB PRO 95 HB2 PRO 95 -12.156 6.234 0.632 780 2HB PRO 95 HB3 PRO 95 -10.556 6.980 0.716 781 1HG PRO 95 HG2 PRO 95 -10.793 4.333 0.708 782 2HG PRO 95 HG3 PRO 95 -9.606 5.127 1.759 783 1HD PRO 95 HD2 PRO 95 -12.209 3.865 2.459 784 2HD PRO 95 HD3 PRO 95 -10.712 3.974 3.402 785 H PHE 96 H PHE 96 -14.055 6.303 2.637 786 HA PHE 96 HA PHE 96 -15.145 8.714 1.620 787 1HB PHE 96 HB2 PHE 96 -16.423 6.330 2.963 788 2HB PHE 96 HB3 PHE 96 -17.299 7.614 2.157 789 HD1 PHE 96 HD1 PHE 96 -17.630 7.593 -0.167 790 HD2 PHE 96 HD2 PHE 96 -14.847 4.911 1.614 791 HE1 PHE 96 HE1 PHE 96 -17.417 6.398 -2.308 792 HE2 PHE 96 HE2 PHE 96 -14.626 3.712 -0.522 793 HZ PHE 96 HZ PHE 96 -15.912 4.455 -2.488 794 H GLU 97 H GLU 97 -14.757 7.329 4.840 795 HA GLU 97 HA GLU 97 -16.002 9.727 6.002 796 1HB GLU 97 HB2 GLU 97 -15.403 7.059 7.294 797 2HB GLU 97 HB3 GLU 97 -16.199 8.418 8.075 798 1HG GLU 97 HG2 GLU 97 -17.250 6.889 5.704 799 2HG GLU 97 HG3 GLU 97 -17.795 6.719 7.372 800 H GLY 98 H GLY 98 -13.538 7.477 7.229 801 1HA GLY 98 HA3 GLY 98 -12.126 9.548 8.584 802 2HA GLY 98 HA2 GLY 98 -11.292 9.095 7.103 803 H ILE 99 H ILE 99 -9.883 8.748 9.257 804 HA ILE 99 HA ILE 99 -9.783 5.841 9.517 805 HB ILE 99 HB ILE 99 -7.686 7.736 10.513 806 1HG1 ILE 99 2HG1 ILE 99 -7.720 6.596 7.722 807 2HG1 ILE 99 3HG1 ILE 99 -8.364 8.196 8.079 808 1HG2 ILE 99 2HG2 ILE 99 -7.844 4.844 9.759 809 2HG2 ILE 99 1HG2 ILE 99 -6.294 5.690 9.709 810 3HG2 ILE 99 3HG2 ILE 99 -7.194 5.587 11.222 811 1HD1 ILE 99 2HD1 ILE 99 -5.533 7.281 8.563 812 2HD1 ILE 99 1HD1 ILE 99 -6.081 8.305 7.238 813 3HD1 ILE 99 3HD1 ILE 99 -6.174 8.890 8.899 814 H LYS 100 H LYS 100 -9.698 4.792 11.491 815 HA LYS 100 HA LYS 100 -10.261 6.413 13.884 816 1HB LYS 100 HB2 LYS 100 -11.566 3.753 13.646 817 2HB LYS 100 HB3 LYS 100 -12.125 5.207 14.456 818 1HG LYS 100 HG2 LYS 100 -12.629 6.206 12.259 819 2HG LYS 100 HG3 LYS 100 -12.165 4.684 11.493 820 1HD LYS 100 HD2 LYS 100 -14.149 3.775 11.929 821 2HD LYS 100 HD3 LYS 100 -14.057 4.242 13.628 822 1HE LYS 100 HE2 LYS 100 -14.835 6.488 13.047 823 2HE LYS 100 HE3 LYS 100 -14.946 6.011 11.352 824 1HZ LYS 100 HZ3 LYS 100 -16.500 4.821 13.588 825 2HZ LYS 100 HZ2 LYS 100 -17.099 5.911 12.442 826 3HZ LYS 100 HZ1 LYS 100 -16.607 4.366 11.962 827 HA PRO 101 HA PRO 101 -7.299 3.993 16.059 828 1HB PRO 101 HB2 PRO 101 -9.216 3.410 18.224 829 2HB PRO 101 HB3 PRO 101 -7.718 4.343 18.271 830 1HG PRO 101 HG2 PRO 101 -10.099 5.552 18.435 831 2HG PRO 101 HG3 PRO 101 -8.754 6.291 17.548 832 1HD PRO 101 HD2 PRO 101 -11.104 4.752 16.493 833 2HD PRO 101 HD3 PRO 101 -10.404 6.271 15.897 834 H GLU 102 H GLU 102 -10.517 2.506 16.292 835 HA GLU 102 HA GLU 102 -9.670 -0.109 16.805 836 1HB GLU 102 HB2 GLU 102 -11.921 -0.778 16.019 837 2HB GLU 102 HB3 GLU 102 -11.953 0.538 17.187 838 1HG GLU 102 HG2 GLU 102 -12.211 2.138 15.383 839 2HG GLU 102 HG3 GLU 102 -12.171 0.828 14.209 840 H ASN 103 H ASN 103 -9.429 1.726 13.974 841 HA ASN 103 HA ASN 103 -9.746 -0.176 11.957 842 1HB ASN 103 HB2 ASN 103 -7.980 2.264 12.128 843 2HB ASN 103 HB3 ASN 103 -8.152 1.307 10.661 844 1HD2 ASN 103 1HD2 ASN 103 -10.860 1.644 12.778 845 2HD2 ASN 103 2HD2 ASN 103 -11.759 2.741 11.793 846 H GLU 104 H GLU 104 -8.435 -1.674 11.028 847 HA GLU 104 HA GLU 104 -6.423 -2.868 12.585 848 1HB GLU 104 HB2 GLU 104 -7.972 -3.608 10.436 849 2HB GLU 104 HB3 GLU 104 -6.365 -3.508 9.729 850 1HG GLU 104 HG2 GLU 104 -5.504 -5.061 11.324 851 2HG GLU 104 HG3 GLU 104 -7.031 -5.083 12.202 852 H ARG 105 H ARG 105 -4.243 -3.463 11.449 853 HA ARG 105 HA ARG 105 -3.047 -1.302 9.941 854 1HB ARG 105 HB2 ARG 105 -2.753 -0.283 12.043 855 2HB ARG 105 HB3 ARG 105 -2.404 -1.812 12.838 856 1HG ARG 105 HG2 ARG 105 -0.237 -1.422 12.628 857 2HG ARG 105 HG3 ARG 105 -0.404 -1.390 10.875 858 1HD ARG 105 HD2 ARG 105 0.515 0.689 11.366 859 2HD ARG 105 HD3 ARG 105 -1.209 1.031 11.200 860 HE ARG 105 HE ARG 105 -0.250 0.481 13.889 861 1HH1 ARG 105 1HH1 ARG 105 -1.117 2.863 11.497 862 2HH1 ARG 105 2HH1 ARG 105 -1.340 4.132 12.654 863 1HH2 ARG 105 1HH2 ARG 105 -0.543 2.148 15.419 864 2HH2 ARG 105 2HH2 ARG 105 -1.013 3.726 14.883 865 H TYR 106 H TYR 106 -0.866 -1.798 9.238 866 HA TYR 106 HA TYR 106 0.193 -4.417 9.794 867 1HB TYR 106 HB2 TYR 106 -1.291 -5.058 8.078 868 2HB TYR 106 HB3 TYR 106 -0.803 -3.716 7.041 869 HD1 TYR 106 HD1 TYR 106 -0.199 -7.099 8.056 870 HD2 TYR 106 HD2 TYR 106 1.550 -3.772 6.069 871 HE1 TYR 106 HE1 TYR 106 1.450 -8.590 7.026 872 HE2 TYR 106 HE2 TYR 106 3.214 -5.255 5.036 873 HH TYR 106 HH TYR 106 2.924 -8.642 5.064 874 H THR 107 H THR 107 2.156 -3.908 10.334 875 HA THR 107 HA THR 107 3.582 -1.786 8.942 876 HB THR 107 HB THR 107 5.241 -2.477 10.897 877 HG1 THR 107 HG1 THR 107 4.348 -3.680 12.383 878 1HG2 THR 107 1HG2 THR 107 4.216 -0.267 10.612 879 2HG2 THR 107 3HG2 THR 107 2.723 -0.871 11.328 880 3HG2 THR 107 2HG2 THR 107 4.188 -0.766 12.303 881 H LEU 108 H LEU 108 5.257 -2.194 7.581 882 HA LEU 108 HA LEU 108 5.987 -4.976 7.147 883 1HB LEU 108 HB2 LEU 108 6.321 -2.467 5.594 884 2HB LEU 108 HB3 LEU 108 7.452 -3.770 5.309 885 HG LEU 108 HG LEU 108 4.464 -4.015 5.055 886 1HD1 LEU 108 1HD1 LEU 108 5.480 -2.542 3.358 887 2HD1 LEU 108 3HD1 LEU 108 6.565 -3.855 2.906 888 3HD1 LEU 108 2HD1 LEU 108 4.826 -4.030 2.675 889 1HD2 LEU 108 2HD2 LEU 108 5.640 -6.097 5.680 890 2HD2 LEU 108 1HD2 LEU 108 4.938 -6.172 4.065 891 3HD2 LEU 108 3HD2 LEU 108 6.670 -5.912 4.260 892 H HIS 109 H HIS 109 7.694 -5.889 7.849 893 HA HIS 109 HA HIS 109 9.570 -4.664 9.584 894 1HB HIS 109 HB2 HIS 109 10.634 -7.009 9.347 895 2HB HIS 109 HB3 HIS 109 9.018 -6.917 10.021 896 HD1 HIS 109 HD1 HIS 109 10.177 -7.012 6.397 897 HD2 HIS 109 HD2 HIS 109 7.753 -9.100 9.048 898 HE1 HIS 109 HE1 HIS 109 9.098 -8.829 5.033 899 HE2 HIS 109 HE2 HIS 109 7.571 -10.025 6.639 900 H LEU 110 H LEU 110 10.120 -3.057 7.511 901 HA LEU 110 HA LEU 110 12.268 -4.338 5.966 902 1HB LEU 110 HB2 LEU 110 10.858 -1.737 5.401 903 2HB LEU 110 HB3 LEU 110 12.054 -2.510 4.380 904 HG LEU 110 HG LEU 110 9.375 -3.728 5.057 905 1HD1 LEU 110 3HD1 LEU 110 10.241 -2.234 2.587 906 2HD1 LEU 110 2HD1 LEU 110 8.722 -3.110 2.778 907 3HD1 LEU 110 1HD1 LEU 110 9.055 -1.692 3.773 908 1HD2 LEU 110 2HD2 LEU 110 11.101 -5.351 4.480 909 2HD2 LEU 110 1HD2 LEU 110 9.882 -5.241 3.211 910 3HD2 LEU 110 3HD2 LEU 110 11.450 -4.462 2.998 911 H ASN 111 H ASN 111 13.766 -4.159 7.750 912 HA ASN 111 HA ASN 111 14.708 -1.453 8.334 913 1HB ASN 111 HB2 ASN 111 14.548 -2.833 10.295 914 2HB ASN 111 HB3 ASN 111 15.416 -4.149 9.515 915 1HD2 ASN 111 1HD2 ASN 111 16.942 -4.227 11.155 916 2HD2 ASN 111 2HD2 ASN 111 18.168 -3.023 11.327 917 H VAL 112 H VAL 112 15.063 -1.668 5.888 918 HA VAL 112 HA VAL 112 16.828 -3.041 4.474 919 HB VAL 112 HB VAL 112 17.149 -0.065 4.352 920 1HG1 VAL 112 3HG1 VAL 112 18.334 -1.501 2.752 921 2HG1 VAL 112 2HG1 VAL 112 16.788 -2.170 2.229 922 3HG1 VAL 112 1HG1 VAL 112 17.147 -0.465 1.959 923 1HG2 VAL 112 3HG2 VAL 112 14.663 -1.591 3.586 924 2HG2 VAL 112 2HG2 VAL 112 14.796 -0.295 4.775 925 3HG2 VAL 112 1HG2 VAL 112 15.026 0.054 3.063 926 H LYS 113 H LYS 113 18.938 -3.541 4.447 927 HA LYS 113 HA LYS 113 20.630 -2.557 6.566 928 1HB LYS 113 HB2 LYS 113 21.236 -4.531 4.361 929 2HB LYS 113 HB3 LYS 113 22.200 -4.250 5.799 930 1HG LYS 113 HG2 LYS 113 19.405 -5.362 5.740 931 2HG LYS 113 HG3 LYS 113 20.887 -6.281 6.006 932 1HD LYS 113 HD2 LYS 113 19.898 -4.051 7.780 933 2HD LYS 113 HD3 LYS 113 19.678 -5.772 8.102 934 1HE LYS 113 HE2 LYS 113 22.315 -4.329 7.861 935 2HE LYS 113 HE3 LYS 113 21.566 -4.882 9.358 936 1HZ LYS 113 HZ1 LYS 113 22.459 -6.629 7.128 937 2HZ LYS 113 HZ3 LYS 113 23.267 -6.417 8.600 938 3HZ LYS 113 HZ2 LYS 113 21.747 -7.157 8.568 No H/Q in entry = 938 Start of MODEL 24 1 H1 GLY -2 HT1 GLY -2 -10.956 -28.976 19.985 2 H2 GLY -2 HT3 GLY -2 -10.432 -27.496 20.615 3 H3 GLY -2 HT2 GLY -2 -11.033 -28.691 21.650 4 1HA GLY -2 HA2 GLY -2 -12.679 -26.962 21.322 5 2HA GLY -2 HA3 GLY -2 -13.224 -28.501 20.673 6 H SER -1 H SER -1 -10.886 -26.261 19.249 7 HA SER -1 HA SER -1 -12.542 -26.167 16.841 8 1HB SER -1 HB2 SER -1 -12.249 -23.722 16.651 9 2HB SER -1 HB3 SER -1 -13.156 -24.157 18.099 10 HG SER -1 HG SER -1 -11.707 -22.893 18.989 11 H HIS 0 H HIS 0 -9.539 -26.353 18.361 12 HA HIS 0 HA HIS 0 -7.410 -26.604 17.620 13 1HB HIS 0 HB2 HIS 0 -8.424 -28.238 16.085 14 2HB HIS 0 HB3 HIS 0 -8.722 -26.954 14.917 15 HD1 HIS 0 HD1 HIS 0 -6.853 -26.372 13.347 16 HD2 HIS 0 HD2 HIS 0 -5.621 -28.835 16.458 17 HE1 HIS 0 HE1 HIS 0 -4.501 -27.054 12.773 18 HE2 HIS 0 HE2 HIS 0 -3.742 -28.458 14.722 19 H MET 1 H MET 1 -8.543 -25.161 14.599 20 HA MET 1 HA MET 1 -6.472 -23.225 14.599 21 1HB MET 1 HB2 MET 1 -7.700 -22.269 12.642 22 2HB MET 1 HB3 MET 1 -7.331 -23.978 12.496 23 1HG MET 1 HG2 MET 1 -9.630 -24.517 13.168 24 2HG MET 1 HG3 MET 1 -9.989 -22.793 13.256 25 1HE MET 1 HE2 MET 1 -8.343 -21.666 10.779 26 2HE MET 1 HE1 MET 1 -9.572 -21.697 9.515 27 3HE MET 1 HE3 MET 1 -9.996 -21.172 11.144 28 H ILE 2 H ILE 2 -6.554 -21.004 14.877 29 HA ILE 2 HA ILE 2 -8.550 -20.096 16.771 30 HB ILE 2 HB ILE 2 -7.192 -18.038 16.892 31 1HG1 ILE 2 2HG1 ILE 2 -5.359 -19.441 14.934 32 2HG1 ILE 2 3HG1 ILE 2 -6.409 -18.088 14.527 33 1HG2 ILE 2 2HG2 ILE 2 -6.693 -19.916 18.361 34 2HG2 ILE 2 1HG2 ILE 2 -5.604 -20.588 17.150 35 3HG2 ILE 2 3HG2 ILE 2 -5.219 -19.052 17.925 36 1HD1 ILE 2 1HD1 ILE 2 -5.189 -16.677 16.107 37 2HD1 ILE 2 3HD1 ILE 2 -4.128 -18.033 16.487 38 3HD1 ILE 2 2HD1 ILE 2 -4.133 -17.345 14.863 39 H ALA 3 H ALA 3 -8.547 -20.380 13.550 40 HA ALA 3 HA ALA 3 -9.784 -19.489 11.864 41 1HB ALA 3 HB2 ALA 3 -11.600 -19.515 13.516 42 2HB ALA 3 HB1 ALA 3 -11.136 -17.897 14.039 43 3HB ALA 3 HB3 ALA 3 -11.740 -18.155 12.403 44 HA PRO 4 HA PRO 4 -7.634 -15.790 10.754 45 1HB PRO 4 HB2 PRO 4 -8.981 -15.054 8.540 46 2HB PRO 4 HB3 PRO 4 -7.955 -16.492 8.580 47 1HG PRO 4 HG2 PRO 4 -10.932 -16.277 8.827 48 2HG PRO 4 HG3 PRO 4 -9.968 -17.443 7.901 49 1HD PRO 4 HD2 PRO 4 -11.059 -17.998 10.340 50 2HD PRO 4 HD3 PRO 4 -9.576 -18.763 9.737 51 H LEU 5 H LEU 5 -10.800 -15.767 11.893 52 HA LEU 5 HA LEU 5 -11.445 -13.021 11.446 53 1HB LEU 5 HB2 LEU 5 -13.167 -14.719 11.846 54 2HB LEU 5 HB3 LEU 5 -12.544 -14.982 13.462 55 HG LEU 5 HG LEU 5 -13.179 -12.693 14.087 56 1HD1 LEU 5 3HD1 LEU 5 -14.282 -12.542 11.285 57 2HD1 LEU 5 2HD1 LEU 5 -14.572 -11.359 12.561 58 3HD1 LEU 5 1HD1 LEU 5 -12.940 -11.601 11.939 59 1HD2 LEU 5 1HD2 LEU 5 -14.763 -14.506 14.450 60 2HD2 LEU 5 3HD2 LEU 5 -15.601 -13.007 14.048 61 3HD2 LEU 5 2HD2 LEU 5 -15.420 -14.270 12.830 62 H SER 6 H SER 6 -10.779 -14.714 14.519 63 HA SER 6 HA SER 6 -10.025 -12.220 15.770 64 1HB SER 6 HB2 SER 6 -9.730 -13.591 17.803 65 2HB SER 6 HB3 SER 6 -11.300 -13.877 17.050 66 HG SER 6 HG SER 6 -10.501 -15.868 17.471 67 H VAL 7 H VAL 7 -8.013 -11.518 16.217 68 HA VAL 7 HA VAL 7 -5.744 -11.349 16.219 69 HB VAL 7 HB VAL 7 -5.730 -14.371 16.151 70 1HG1 VAL 7 1HG1 VAL 7 -3.619 -12.391 16.998 71 2HG1 VAL 7 3HG1 VAL 7 -3.500 -14.143 17.150 72 3HG1 VAL 7 2HG1 VAL 7 -3.583 -13.400 15.553 73 1HG2 VAL 7 3HG2 VAL 7 -7.028 -13.553 18.040 74 2HG2 VAL 7 2HG2 VAL 7 -5.500 -14.242 18.587 75 3HG2 VAL 7 1HG2 VAL 7 -5.700 -12.492 18.510 76 H LYS 8 H LYS 8 -4.065 -11.173 14.737 77 HA LYS 8 HA LYS 8 -3.878 -12.708 12.369 78 1HB LYS 8 HB2 LYS 8 -5.898 -11.399 11.793 79 2HB LYS 8 HB3 LYS 8 -4.988 -9.917 12.033 80 1HG LYS 8 HG2 LYS 8 -5.142 -10.390 9.686 81 2HG LYS 8 HG3 LYS 8 -3.469 -10.586 10.213 82 1HD LYS 8 HD2 LYS 8 -4.015 -12.401 8.744 83 2HD LYS 8 HD3 LYS 8 -3.874 -13.036 10.384 84 1HE LYS 8 HE2 LYS 8 -5.802 -13.993 9.254 85 2HE LYS 8 HE3 LYS 8 -6.309 -12.988 10.613 86 1HZ LYS 8 HZ3 LYS 8 -6.316 -12.164 7.759 87 2HZ LYS 8 HZ2 LYS 8 -7.678 -12.600 8.661 88 3HZ LYS 8 HZ1 LYS 8 -6.809 -11.205 9.064 89 H ASP 9 H ASP 9 -1.875 -12.534 11.602 90 HA ASP 9 HA ASP 9 0.029 -10.909 12.907 91 1HB ASP 9 HB2 ASP 9 0.305 -12.426 10.304 92 2HB ASP 9 HB3 ASP 9 1.617 -11.856 11.322 93 H ASN 10 H ASN 10 0.501 -8.836 12.533 94 HA ASN 10 HA ASN 10 -0.123 -7.730 9.889 95 1HB ASN 10 HB2 ASN 10 -0.342 -5.536 11.306 96 2HB ASN 10 HB3 ASN 10 -1.692 -6.648 11.173 97 1HD2 ASN 10 1HD2 ASN 10 -0.708 -4.645 13.201 98 2HD2 ASN 10 2HD2 ASN 10 -0.766 -5.511 14.689 99 H ASP 11 H ASP 11 1.298 -5.896 12.430 100 HA ASP 11 HA ASP 11 3.338 -4.833 10.935 101 1HB ASP 11 HB2 ASP 11 4.385 -4.430 13.300 102 2HB ASP 11 HB3 ASP 11 2.885 -3.627 12.847 103 H LYS 12 H LYS 12 4.645 -6.150 9.838 104 HA LYS 12 HA LYS 12 5.995 -8.349 11.168 105 1HB LYS 12 HB2 LYS 12 5.139 -7.964 8.581 106 2HB LYS 12 HB3 LYS 12 6.870 -7.685 8.454 107 1HG LYS 12 HG2 LYS 12 7.260 -9.865 9.553 108 2HG LYS 12 HG3 LYS 12 5.518 -10.140 9.534 109 1HD LYS 12 HD2 LYS 12 6.412 -11.278 7.649 110 2HD LYS 12 HD3 LYS 12 5.605 -9.832 7.036 111 1HE LYS 12 HE2 LYS 12 7.766 -8.686 6.916 112 2HE LYS 12 HE3 LYS 12 8.568 -10.135 7.518 113 1HZ LYS 12 HZ3 LYS 12 7.798 -11.323 5.552 114 2HZ LYS 12 HZ2 LYS 12 7.057 -9.918 4.970 115 3HZ LYS 12 HZ1 LYS 12 8.740 -9.984 5.123 116 H TRP 13 H TRP 13 7.366 -7.357 12.618 117 HA TRP 13 HA TRP 13 9.136 -5.248 11.901 118 1HB TRP 13 HB2 TRP 13 9.532 -7.038 14.276 119 2HB TRP 13 HB3 TRP 13 9.833 -5.313 14.118 120 HD1 TRP 13 HD1 TRP 13 6.937 -7.789 14.600 121 HE1 TRP 13 HE1 TRP 13 4.911 -6.520 15.550 122 HE3 TRP 13 HE3 TRP 13 8.793 -3.028 14.407 123 HZ2 TRP 13 HZ2 TRP 13 4.179 -3.850 16.132 124 HZ3 TRP 13 HZ3 TRP 13 7.373 -1.178 15.189 125 HH2 TRP 13 HH2 TRP 13 5.121 -1.582 16.038 126 H VAL 14 H VAL 14 10.554 -5.717 10.278 127 HA VAL 14 HA VAL 14 12.589 -7.728 10.888 128 HB VAL 14 HB VAL 14 12.461 -8.748 8.630 129 1HG1 VAL 14 3HG1 VAL 14 11.483 -9.893 10.545 130 2HG1 VAL 14 2HG1 VAL 14 9.959 -9.044 10.287 131 3HG1 VAL 14 1HG1 VAL 14 10.542 -10.194 9.084 132 1HG2 VAL 14 2HG2 VAL 14 9.877 -7.207 8.446 133 2HG2 VAL 14 1HG2 VAL 14 11.309 -7.000 7.436 134 3HG2 VAL 14 3HG2 VAL 14 10.369 -8.490 7.340 135 H ASP 15 H ASP 15 14.009 -7.829 8.650 136 HA ASP 15 HA ASP 15 14.778 -5.032 8.154 137 1HB ASP 15 HB2 ASP 15 17.040 -5.756 7.954 138 2HB ASP 15 HB3 ASP 15 16.390 -6.533 9.397 139 H THR 16 H THR 16 16.350 -5.178 5.987 140 HA THR 16 HA THR 16 15.450 -6.873 3.912 141 HB THR 16 HB THR 16 13.418 -5.348 4.356 142 HG1 THR 16 HG1 THR 16 13.051 -5.255 2.047 143 1HG2 THR 16 1HG2 THR 16 14.707 -3.243 4.461 144 2HG2 THR 16 3HG2 THR 16 15.109 -3.434 2.755 145 3HG2 THR 16 2HG2 THR 16 13.432 -3.201 3.242 146 H HIS 17 H HIS 17 15.858 -5.637 1.661 147 HA HIS 17 HA HIS 17 18.500 -4.359 1.911 148 1HB HIS 17 HB2 HIS 17 17.379 -5.996 -0.377 149 2HB HIS 17 HB3 HIS 17 18.969 -5.249 -0.345 150 HD1 HIS 17 HD1 HIS 17 17.002 -8.026 1.267 151 HD2 HIS 17 HD2 HIS 17 20.920 -6.672 0.993 152 HE1 HIS 17 HE1 HIS 17 18.414 -9.843 2.281 153 HE2 HIS 17 HE2 HIS 17 20.771 -8.961 2.186 154 H VAL 18 H VAL 18 18.608 -3.543 -0.847 155 HA VAL 18 HA VAL 18 16.801 -1.246 -0.653 156 HB VAL 18 HB VAL 18 19.163 -1.616 -2.500 157 1HG1 VAL 18 2HG1 VAL 18 17.531 0.823 -1.795 158 2HG1 VAL 18 1HG1 VAL 18 18.992 0.825 -2.782 159 3HG1 VAL 18 3HG1 VAL 18 17.547 -0.016 -3.347 160 1HG2 VAL 18 2HG2 VAL 18 19.874 -1.618 -0.168 161 2HG2 VAL 18 1HG2 VAL 18 20.365 -0.128 -0.972 162 3HG2 VAL 18 3HG2 VAL 18 18.978 -0.126 0.117 163 H GLY 19 H GLY 19 15.133 -0.964 -1.928 164 1HA GLY 19 HA3 GLY 19 15.024 -1.792 -4.655 165 2HA GLY 19 HA2 GLY 19 13.717 -1.095 -3.721 166 H LYS 20 H LYS 20 14.556 -3.594 -1.845 167 HA LYS 20 HA LYS 20 13.717 -5.885 -3.181 168 1HB LYS 20 HB2 LYS 20 14.541 -5.328 -0.641 169 2HB LYS 20 HB3 LYS 20 12.846 -5.684 -0.374 170 1HG LYS 20 HG2 LYS 20 13.619 -7.784 -0.186 171 2HG LYS 20 HG3 LYS 20 13.482 -7.749 -1.949 172 1HD LYS 20 HD2 LYS 20 15.797 -7.200 -2.182 173 2HD LYS 20 HD3 LYS 20 15.952 -6.968 -0.442 174 1HE LYS 20 HE2 LYS 20 15.572 -9.324 -0.052 175 2HE LYS 20 HE3 LYS 20 15.260 -9.587 -1.768 176 1HZ LYS 20 HZ1 LYS 20 17.844 -8.695 -0.608 177 2HZ LYS 20 HZ3 LYS 20 17.499 -10.260 -1.150 178 3HZ LYS 20 HZ2 LYS 20 17.541 -8.974 -2.248 179 H THR 21 H THR 21 12.005 -5.285 -4.540 180 HA THR 21 HA THR 21 9.646 -4.022 -3.760 181 HB THR 21 HB THR 21 9.700 -6.127 -5.908 182 HG1 THR 21 HG1 THR 21 10.733 -4.704 -7.239 183 1HG2 THR 21 2HG2 THR 21 7.565 -4.994 -5.339 184 2HG2 THR 21 1HG2 THR 21 8.315 -3.448 -5.734 185 3HG2 THR 21 3HG2 THR 21 8.101 -4.670 -6.989 186 H THR 22 H THR 22 8.820 -4.804 -1.854 187 HA THR 22 HA THR 22 8.178 -7.619 -1.601 188 HB THR 22 HB THR 22 7.644 -5.299 0.269 189 HG1 THR 22 HG1 THR 22 9.686 -7.243 0.061 190 1HG2 THR 22 2HG2 THR 22 7.303 -8.269 0.717 191 2HG2 THR 22 1HG2 THR 22 7.150 -7.020 1.955 192 3HG2 THR 22 3HG2 THR 22 6.007 -7.077 0.613 193 H GLU 23 H GLU 23 6.596 -8.176 -2.950 194 HA GLU 23 HA GLU 23 4.246 -6.571 -3.328 195 1HB GLU 23 HB2 GLU 23 5.250 -7.876 -5.157 196 2HB GLU 23 HB3 GLU 23 4.936 -9.358 -4.265 197 1HG GLU 23 HG2 GLU 23 2.578 -9.059 -4.457 198 2HG GLU 23 HG3 GLU 23 2.800 -7.445 -5.130 199 H ILE 24 H ILE 24 2.390 -6.747 -2.264 200 HA ILE 24 HA ILE 24 1.889 -9.181 -0.705 201 HB ILE 24 HB ILE 24 1.420 -6.387 0.302 202 1HG1 ILE 24 2HG1 ILE 24 3.506 -8.427 1.086 203 2HG1 ILE 24 3HG1 ILE 24 3.809 -6.922 0.229 204 1HG2 ILE 24 3HG2 ILE 24 -0.206 -8.041 1.099 205 2HG2 ILE 24 2HG2 ILE 24 1.118 -9.050 1.682 206 3HG2 ILE 24 1HG2 ILE 24 0.834 -7.466 2.404 207 1HD1 ILE 24 3HD1 ILE 24 2.775 -7.166 3.041 208 2HD1 ILE 24 2HD1 ILE 24 4.418 -6.740 2.564 209 3HD1 ILE 24 1HD1 ILE 24 3.080 -5.659 2.179 210 H HIS 25 H HIS 25 0.193 -10.024 -1.711 211 HA HIS 25 HA HIS 25 -1.973 -8.352 -2.672 212 1HB HIS 25 HB2 HIS 25 -2.010 -11.354 -2.634 213 2HB HIS 25 HB3 HIS 25 -2.791 -10.257 -3.759 214 HD1 HIS 25 HD1 HIS 25 -0.108 -12.537 -3.659 215 HD2 HIS 25 HD2 HIS 25 -0.623 -8.754 -5.297 216 HE1 HIS 25 HE1 HIS 25 1.658 -12.329 -5.435 217 HE2 HIS 25 HE2 HIS 25 1.237 -10.086 -6.502 218 H LEU 26 H LEU 26 -3.050 -7.552 -0.932 219 HA LEU 26 HA LEU 26 -3.796 -9.327 1.258 220 1HB LEU 26 HB2 LEU 26 -4.314 -6.383 0.891 221 2HB LEU 26 HB3 LEU 26 -4.614 -7.300 2.351 222 HG LEU 26 HG LEU 26 -1.851 -7.036 1.185 223 1HD1 LEU 26 2HD1 LEU 26 -3.177 -5.231 3.204 224 2HD1 LEU 26 1HD1 LEU 26 -1.470 -5.205 2.762 225 3HD1 LEU 26 3HD1 LEU 26 -2.696 -4.786 1.568 226 1HD2 LEU 26 2HD2 LEU 26 -2.338 -8.818 2.866 227 2HD2 LEU 26 1HD2 LEU 26 -1.122 -7.647 3.379 228 3HD2 LEU 26 3HD2 LEU 26 -2.765 -7.545 4.011 229 H LYS 27 H LYS 27 -5.946 -9.703 1.859 230 HA LYS 27 HA LYS 27 -7.846 -9.359 -0.350 231 1HB LYS 27 HB2 LYS 27 -8.243 -11.177 2.010 232 2HB LYS 27 HB3 LYS 27 -9.021 -11.245 0.438 233 1HG LYS 27 HG2 LYS 27 -6.804 -11.806 -0.559 234 2HG LYS 27 HG3 LYS 27 -6.164 -11.926 1.082 235 1HD LYS 27 HD2 LYS 27 -7.795 -13.677 1.594 236 2HD LYS 27 HD3 LYS 27 -8.433 -13.561 -0.047 237 1HE LYS 27 HE2 LYS 27 -5.624 -14.354 0.711 238 2HE LYS 27 HE3 LYS 27 -6.900 -15.448 0.177 239 1HZ LYS 27 HZ1 LYS 27 -5.723 -13.248 -1.435 240 2HZ LYS 27 HZ3 LYS 27 -5.394 -14.896 -1.627 241 3HZ LYS 27 HZ2 LYS 27 -6.943 -14.300 -1.949 242 H GLY 28 H GLY 28 -10.113 -8.960 0.241 243 1HA GLY 28 HA3 GLY 28 -10.319 -6.624 1.814 244 2HA GLY 28 HA2 GLY 28 -10.938 -7.991 2.721 245 H ASN 29 H ASN 29 -12.263 -5.576 1.584 246 HA ASN 29 HA ASN 29 -13.851 -6.258 -0.627 247 1HB ASN 29 HB2 ASN 29 -16.024 -6.578 0.742 248 2HB ASN 29 HB3 ASN 29 -14.939 -7.955 0.559 249 1HD2 ASN 29 1HD2 ASN 29 -16.191 -5.558 2.735 250 2HD2 ASN 29 2HD2 ASN 29 -15.626 -6.294 4.192 251 HA PRO 30 HA PRO 30 -13.971 -1.810 0.510 252 1HB PRO 30 HB2 PRO 30 -14.552 -1.032 -2.070 253 2HB PRO 30 HB3 PRO 30 -12.919 -1.216 -1.424 254 1HG PRO 30 HG2 PRO 30 -14.526 -3.110 -3.088 255 2HG PRO 30 HG3 PRO 30 -12.800 -2.716 -3.189 256 1HD PRO 30 HD2 PRO 30 -13.658 -4.982 -2.039 257 2HD PRO 30 HD3 PRO 30 -12.252 -4.099 -1.412 258 H THR 31 H THR 31 -16.252 -4.027 -0.670 259 HA THR 31 HA THR 31 -18.453 -2.389 -1.236 260 HB THR 31 HB THR 31 -19.847 -4.370 -0.760 261 HG1 THR 31 HG1 THR 31 -18.898 -5.409 0.912 262 1HG2 THR 31 2HG2 THR 31 -18.743 -4.173 -2.934 263 2HG2 THR 31 1HG2 THR 31 -17.320 -4.994 -2.294 264 3HG2 THR 31 3HG2 THR 31 -18.851 -5.860 -2.433 265 H THR 32 H THR 32 -16.962 -3.228 1.758 266 HA THR 32 HA THR 32 -19.267 -2.596 3.380 267 HB THR 32 HB THR 32 -17.609 -2.758 5.287 268 HG1 THR 32 HG1 THR 32 -15.561 -2.923 4.802 269 1HG2 THR 32 1HG2 THR 32 -17.859 -5.113 3.413 270 2HG2 THR 32 3HG2 THR 32 -17.405 -5.208 5.114 271 3HG2 THR 32 2HG2 THR 32 -19.013 -4.643 4.661 272 H GLY 33 H GLY 33 -15.977 -1.190 3.218 273 1HA GLY 33 HA3 GLY 33 -16.904 1.256 4.425 274 2HA GLY 33 HA2 GLY 33 -16.576 1.414 2.707 275 H TYR 34 H TYR 34 -14.692 -0.789 4.637 276 HA TYR 34 HA TYR 34 -12.609 1.127 5.170 277 1HB TYR 34 HB2 TYR 34 -12.746 -1.862 5.563 278 2HB TYR 34 HB3 TYR 34 -11.352 -0.884 6.008 279 HD1 TYR 34 HD1 TYR 34 -14.900 -1.556 6.742 280 HD2 TYR 34 HD2 TYR 34 -11.353 0.440 8.015 281 HE1 TYR 34 HE1 TYR 34 -15.942 -1.104 8.922 282 HE2 TYR 34 HE2 TYR 34 -12.395 0.891 10.196 283 HH TYR 34 HH TYR 34 -14.654 1.089 11.157 284 H MET 35 H MET 35 -10.279 0.221 4.658 285 HA MET 35 HA MET 35 -9.978 -0.890 2.022 286 1HB MET 35 HB2 MET 35 -10.137 1.224 1.139 287 2HB MET 35 HB3 MET 35 -9.677 1.996 2.651 288 1HG MET 35 HG2 MET 35 -7.344 1.261 2.255 289 2HG MET 35 HG3 MET 35 -7.855 0.657 0.696 290 1HE MET 35 HE2 MET 35 -9.984 2.805 -0.178 291 2HE MET 35 HE1 MET 35 -9.033 3.995 -1.066 292 3HE MET 35 HE3 MET 35 -8.750 2.273 -1.318 293 H TRP 36 H TRP 36 -7.812 -1.496 1.616 294 HA TRP 36 HA TRP 36 -6.124 -1.519 4.019 295 1HB TRP 36 HB2 TRP 36 -6.685 -3.485 1.915 296 2HB TRP 36 HB3 TRP 36 -4.987 -3.318 2.319 297 HD1 TRP 36 HD1 TRP 36 -7.851 -5.308 3.255 298 HE1 TRP 36 HE1 TRP 36 -7.575 -6.343 5.597 299 HE3 TRP 36 HE3 TRP 36 -3.958 -2.465 4.936 300 HZ2 TRP 36 HZ2 TRP 36 -5.922 -5.995 7.858 301 HZ3 TRP 36 HZ3 TRP 36 -3.085 -2.877 7.195 302 HH2 TRP 36 HH2 TRP 36 -4.051 -4.604 8.626 303 H THR 37 H THR 37 -5.256 0.549 3.642 304 HA THR 37 HA THR 37 -3.305 0.617 1.434 305 HB THR 37 HB THR 37 -5.306 2.069 0.961 306 HG1 THR 37 HG1 THR 37 -3.177 3.849 1.278 307 1HG2 THR 37 1HG2 THR 37 -4.218 3.635 3.309 308 2HG2 THR 37 3HG2 THR 37 -5.475 4.189 2.203 309 3HG2 THR 37 2HG2 THR 37 -5.768 2.796 3.244 310 H ARG 38 H ARG 38 -2.086 3.088 2.123 311 HA ARG 38 HA ARG 38 -0.697 2.241 4.532 312 1HB ARG 38 HB2 ARG 38 -0.046 3.993 2.238 313 2HB ARG 38 HB3 ARG 38 0.648 4.450 3.779 314 1HG ARG 38 HG2 ARG 38 1.810 2.430 3.987 315 2HG ARG 38 HG3 ARG 38 0.920 1.705 2.645 316 1HD ARG 38 HD2 ARG 38 3.259 2.488 2.148 317 2HD ARG 38 HD3 ARG 38 2.022 3.040 1.058 318 HE ARG 38 HE ARG 38 2.193 5.206 2.082 319 1HH1 ARG 38 1HH1 ARG 38 4.626 2.902 3.038 320 2HH1 ARG 38 2HH1 ARG 38 5.785 4.110 3.477 321 1HH2 ARG 38 1HH2 ARG 38 3.734 6.808 2.637 322 2HH2 ARG 38 2HH2 ARG 38 5.279 6.326 3.254 323 H VAL 39 H VAL 39 -0.293 3.630 6.314 324 HA VAL 39 HA VAL 39 -2.583 5.120 7.119 325 HB VAL 39 HB VAL 39 0.105 5.039 8.494 326 1HG1 VAL 39 3HG1 VAL 39 -1.398 6.761 9.325 327 2HG1 VAL 39 2HG1 VAL 39 -2.675 5.564 9.539 328 3HG1 VAL 39 1HG1 VAL 39 -1.211 5.473 10.517 329 1HG2 VAL 39 1HG2 VAL 39 -0.981 2.776 7.930 330 2HG2 VAL 39 3HG2 VAL 39 -0.474 3.071 9.593 331 3HG2 VAL 39 2HG2 VAL 39 -2.178 3.211 9.151 332 H GLY 40 H GLY 40 -2.947 7.265 7.123 333 1HA GLY 40 HA3 GLY 40 -0.779 9.165 6.878 334 2HA GLY 40 HA2 GLY 40 -2.487 9.543 7.039 335 H PHE 41 H PHE 41 -2.419 7.331 4.676 336 HA PHE 41 HA PHE 41 -2.242 9.384 2.576 337 1HB PHE 41 HB2 PHE 41 -1.340 6.513 2.295 338 2HB PHE 41 HB3 PHE 41 -1.219 7.777 1.074 339 HD1 PHE 41 HD1 PHE 41 0.254 9.780 1.581 340 HD2 PHE 41 HD2 PHE 41 0.333 6.195 3.860 341 HE1 PHE 41 HE1 PHE 41 2.459 10.408 2.475 342 HE2 PHE 41 HE2 PHE 41 2.540 6.811 4.764 343 HZ PHE 41 HZ PHE 41 3.606 8.921 4.070 344 H VAL 42 H VAL 42 -4.152 7.336 4.209 345 HA VAL 42 HA VAL 42 -5.680 5.960 2.353 346 HB VAL 42 HB VAL 42 -6.801 7.299 4.812 347 1HG1 VAL 42 3HG1 VAL 42 -8.366 6.220 3.189 348 2HG1 VAL 42 2HG1 VAL 42 -7.553 4.689 3.518 349 3HG1 VAL 42 1HG1 VAL 42 -8.400 5.535 4.814 350 1HG2 VAL 42 2HG2 VAL 42 -4.617 5.996 5.131 351 2HG2 VAL 42 1HG2 VAL 42 -5.988 5.579 6.159 352 3HG2 VAL 42 3HG2 VAL 42 -5.581 4.564 4.777 353 H GLY 43 H GLY 43 -6.536 6.785 0.558 354 1HA GLY 43 HA3 GLY 43 -8.146 9.243 0.805 355 2HA GLY 43 HA2 GLY 43 -8.430 7.969 -0.373 356 H LYS 44 H LYS 44 -5.220 9.118 0.333 357 HA LYS 44 HA LYS 44 -5.033 11.118 -1.633 358 1HB LYS 44 HB2 LYS 44 -2.856 9.376 -0.467 359 2HB LYS 44 HB3 LYS 44 -2.606 10.869 -1.349 360 1HG LYS 44 HG2 LYS 44 -3.936 12.040 0.419 361 2HG LYS 44 HG3 LYS 44 -3.906 10.532 1.338 362 1HD LYS 44 HD2 LYS 44 -2.136 11.938 2.135 363 2HD LYS 44 HD3 LYS 44 -1.419 10.598 1.239 364 1HE LYS 44 HE2 LYS 44 -0.320 12.700 0.685 365 2HE LYS 44 HE3 LYS 44 -1.161 12.039 -0.717 366 1HZ LYS 44 HZ3 LYS 44 -2.983 13.574 -0.300 367 2HZ LYS 44 HZ2 LYS 44 -2.169 14.212 1.039 368 3HZ LYS 44 HZ1 LYS 44 -1.529 14.412 -0.514 369 H ASP 45 H ASP 45 -3.362 10.904 -3.466 370 HA ASP 45 HA ASP 45 -4.274 8.796 -5.210 371 1HB ASP 45 HB2 ASP 45 -2.662 11.295 -5.510 372 2HB ASP 45 HB3 ASP 45 -2.554 10.058 -6.753 373 H VAL 46 H VAL 46 -1.501 9.528 -3.283 374 HA VAL 46 HA VAL 46 -0.288 6.982 -4.061 375 HB VAL 46 HB VAL 46 0.793 8.769 -5.430 376 1HG1 VAL 46 1HG1 VAL 46 0.639 10.597 -3.824 377 2HG1 VAL 46 3HG1 VAL 46 1.766 9.761 -2.754 378 3HG1 VAL 46 2HG1 VAL 46 2.308 10.341 -4.330 379 1HG2 VAL 46 1HG2 VAL 46 1.974 6.707 -4.906 380 2HG2 VAL 46 3HG2 VAL 46 3.092 8.071 -4.936 381 3HG2 VAL 46 2HG2 VAL 46 2.552 7.406 -3.394 382 H LEU 47 H LEU 47 0.794 5.965 -2.461 383 HA LEU 47 HA LEU 47 0.484 7.074 0.216 384 1HB LEU 47 HB2 LEU 47 1.590 4.363 -0.332 385 2HB LEU 47 HB3 LEU 47 0.617 4.910 1.016 386 HG LEU 47 HG LEU 47 -0.389 4.434 -1.791 387 1HD1 LEU 47 2HD1 LEU 47 -0.739 2.841 0.744 388 2HD1 LEU 47 1HD1 LEU 47 -1.593 2.543 -0.771 389 3HD1 LEU 47 3HD1 LEU 47 0.159 2.352 -0.693 390 1HD2 LEU 47 1HD2 LEU 47 -1.858 5.196 0.728 391 2HD2 LEU 47 3HD2 LEU 47 -1.633 6.205 -0.700 392 3HD2 LEU 47 2HD2 LEU 47 -2.615 4.742 -0.799 393 H SER 48 H SER 48 2.958 5.442 -1.703 394 HA SER 48 HA SER 48 5.179 5.775 -0.134 395 1HB SER 48 HB2 SER 48 5.126 4.510 -2.258 396 2HB SER 48 HB3 SER 48 5.072 6.029 -3.148 397 HG SER 48 HG SER 48 7.187 5.463 -3.092 398 H ASP 49 H ASP 49 7.133 7.235 -0.859 399 HA ASP 49 HA ASP 49 6.400 9.927 -1.602 400 1HB ASP 49 HB2 ASP 49 7.266 9.258 1.206 401 2HB ASP 49 HB3 ASP 49 7.462 10.870 0.521 402 H GLU 50 H GLU 50 9.076 9.051 0.491 403 HA GLU 50 HA GLU 50 10.924 9.159 -1.781 404 1HB GLU 50 HB2 GLU 50 12.378 10.681 -0.592 405 2HB GLU 50 HB3 GLU 50 10.769 11.384 -0.715 406 1HG GLU 50 HG2 GLU 50 10.297 10.678 1.585 407 2HG GLU 50 HG3 GLU 50 11.937 10.043 1.711 408 H ILE 51 H ILE 51 10.269 8.227 1.528 409 HA ILE 51 HA ILE 51 12.724 6.881 2.012 410 HB ILE 51 HB ILE 51 10.072 6.348 3.344 411 1HG1 ILE 51 2HG1 ILE 51 10.617 8.772 3.300 412 2HG1 ILE 51 3HG1 ILE 51 10.608 8.094 4.922 413 1HG2 ILE 51 3HG2 ILE 51 12.915 6.004 4.282 414 2HG2 ILE 51 2HG2 ILE 51 11.479 5.752 5.274 415 3HG2 ILE 51 1HG2 ILE 51 11.777 4.721 3.874 416 1HD1 ILE 51 3HD1 ILE 51 13.075 8.610 3.278 417 2HD1 ILE 51 2HD1 ILE 51 12.459 9.659 4.555 418 3HD1 ILE 51 1HD1 ILE 51 13.024 8.034 4.944 419 H LEU 52 H LEU 52 9.552 5.316 2.026 420 HA LEU 52 HA LEU 52 10.758 2.996 0.698 421 1HB LEU 52 HB2 LEU 52 8.505 3.395 2.581 422 2HB LEU 52 HB3 LEU 52 8.323 2.112 1.401 423 HG LEU 52 HG LEU 52 10.658 2.343 3.290 424 1HD1 LEU 52 1HD1 LEU 52 8.169 0.657 3.490 425 2HD1 LEU 52 3HD1 LEU 52 9.589 0.507 4.525 426 3HD1 LEU 52 2HD1 LEU 52 8.628 1.985 4.558 427 1HD2 LEU 52 1HD2 LEU 52 11.047 1.106 1.178 428 2HD2 LEU 52 3HD2 LEU 52 11.167 0.093 2.617 429 3HD2 LEU 52 2HD2 LEU 52 9.721 0.027 1.609 430 H GLU 53 H GLU 53 10.535 2.981 -1.461 431 HA GLU 53 HA GLU 53 8.534 4.363 -2.871 432 1HB GLU 53 HB2 GLU 53 10.872 2.979 -3.505 433 2HB GLU 53 HB3 GLU 53 9.594 2.084 -4.319 434 1HG GLU 53 HG2 GLU 53 8.815 4.169 -5.331 435 2HG GLU 53 HG3 GLU 53 10.153 5.016 -4.561 436 H VAL 54 H VAL 54 6.664 3.667 -1.684 437 HA VAL 54 HA VAL 54 5.827 0.910 -1.945 438 HB VAL 54 HB VAL 54 4.169 3.158 -0.830 439 1HG1 VAL 54 1HG1 VAL 54 3.003 1.072 -1.300 440 2HG1 VAL 54 3HG1 VAL 54 4.186 0.182 -0.340 441 3HG1 VAL 54 2HG1 VAL 54 3.116 1.348 0.438 442 1HG2 VAL 54 2HG2 VAL 54 6.428 1.646 0.415 443 2HG2 VAL 54 1HG2 VAL 54 6.059 3.367 0.490 444 3HG2 VAL 54 3HG2 VAL 54 5.084 2.218 1.404 445 H VAL 55 H VAL 55 5.502 0.639 -4.152 446 HA VAL 55 HA VAL 55 3.570 2.313 -5.516 447 HB VAL 55 HB VAL 55 4.827 -0.236 -6.513 448 1HG1 VAL 55 1HG1 VAL 55 2.768 0.624 -7.643 449 2HG1 VAL 55 3HG1 VAL 55 3.678 2.077 -8.060 450 3HG1 VAL 55 2HG1 VAL 55 4.185 0.508 -8.688 451 1HG2 VAL 55 2HG2 VAL 55 5.791 2.603 -6.841 452 2HG2 VAL 55 1HG2 VAL 55 6.592 1.326 -5.928 453 3HG2 VAL 55 3HG2 VAL 55 6.451 1.200 -7.681 454 H CYS 56 H CYS 56 1.750 1.931 -4.288 455 HA CYS 56 HA CYS 56 0.712 -0.805 -4.215 456 1HB CYS 56 HB2 CYS 56 0.745 0.216 -2.053 457 2HB CYS 56 HB3 CYS 56 -0.045 1.668 -2.661 458 HG CYS 56 HG CYS 56 -1.574 -1.391 -2.605 459 H LYS 57 H LYS 57 -0.821 -1.415 -5.529 460 HA LYS 57 HA LYS 57 -2.470 0.634 -6.845 461 1HB LYS 57 HB2 LYS 57 -2.043 -2.110 -7.966 462 2HB LYS 57 HB3 LYS 57 -2.503 -0.636 -8.803 463 1HG LYS 57 HG2 LYS 57 -0.274 0.248 -8.579 464 2HG LYS 57 HG3 LYS 57 0.213 -1.141 -7.606 465 1HD LYS 57 HD2 LYS 57 1.020 -1.489 -9.825 466 2HD LYS 57 HD3 LYS 57 -0.325 -2.601 -9.561 467 1HE LYS 57 HE2 LYS 57 -1.821 -1.056 -10.741 468 2HE LYS 57 HE3 LYS 57 -0.465 0.035 -11.022 469 1HZ LYS 57 HZ1 LYS 57 0.617 -1.705 -12.308 470 2HZ LYS 57 HZ3 LYS 57 -0.692 -2.744 -12.045 471 3HZ LYS 57 HZ2 LYS 57 -0.900 -1.335 -12.956 472 H TYR 58 H TYR 58 -4.379 0.673 -5.892 473 HA TYR 58 HA TYR 58 -5.467 -1.642 -4.575 474 1HB TYR 58 HB2 TYR 58 -5.741 0.719 -3.718 475 2HB TYR 58 HB3 TYR 58 -6.836 1.014 -5.067 476 HD1 TYR 58 HD1 TYR 58 -7.005 0.779 -1.786 477 HD2 TYR 58 HD2 TYR 58 -8.460 -1.425 -5.139 478 HE1 TYR 58 HE1 TYR 58 -8.890 -0.054 -0.442 479 HE2 TYR 58 HE2 TYR 58 -10.325 -2.281 -3.803 480 HH TYR 58 HH TYR 58 -11.141 -0.958 -0.766 481 H THR 59 H THR 59 -6.612 -3.149 -5.522 482 HA THR 59 HA THR 59 -8.121 -2.491 -7.972 483 HB THR 59 HB THR 59 -7.279 -5.304 -7.433 484 HG1 THR 59 HG1 THR 59 -5.557 -3.232 -8.361 485 1HG2 THR 59 1HG2 THR 59 -7.502 -3.627 -9.936 486 2HG2 THR 59 3HG2 THR 59 -7.131 -5.350 -9.883 487 3HG2 THR 59 2HG2 THR 59 -8.706 -4.771 -9.344 488 HA PRO 60 HA PRO 60 -11.425 -3.967 -5.324 489 1HB PRO 60 HB2 PRO 60 -13.406 -2.682 -6.573 490 2HB PRO 60 HB3 PRO 60 -12.218 -1.814 -5.601 491 1HG PRO 60 HG2 PRO 60 -12.502 -1.970 -8.547 492 2HG PRO 60 HG3 PRO 60 -11.827 -0.674 -7.549 493 1HD PRO 60 HD2 PRO 60 -10.411 -2.690 -8.965 494 2HD PRO 60 HD3 PRO 60 -9.748 -1.458 -7.876 495 H THR 61 H THR 61 -13.268 -5.333 -5.521 496 HA THR 61 HA THR 61 -13.073 -7.199 -7.715 497 HB THR 61 HB THR 61 -15.325 -7.558 -5.866 498 HG1 THR 61 HG1 THR 61 -14.188 -6.945 -4.172 499 1HG2 THR 61 3HG2 THR 61 -12.945 -9.249 -6.637 500 2HG2 THR 61 2HG2 THR 61 -14.291 -9.797 -5.639 501 3HG2 THR 61 1HG2 THR 61 -14.568 -9.341 -7.320 502 HA PRO 62 HA PRO 62 -16.252 -5.505 -10.288 503 1HB PRO 62 HB2 PRO 62 -16.969 -8.308 -10.922 504 2HB PRO 62 HB3 PRO 62 -16.460 -7.006 -12.000 505 1HG PRO 62 HG2 PRO 62 -14.811 -9.022 -11.416 506 2HG PRO 62 HG3 PRO 62 -14.205 -7.362 -11.577 507 1HD PRO 62 HD2 PRO 62 -14.770 -8.936 -9.095 508 2HD PRO 62 HD3 PRO 62 -13.409 -7.853 -9.459 509 H SER 63 H SER 63 -18.539 -5.357 -10.488 510 HA SER 63 HA SER 63 -19.987 -6.541 -8.212 511 1HB SER 63 HB2 SER 63 -19.731 -4.026 -8.268 512 2HB SER 63 HB3 SER 63 -20.744 -4.028 -9.713 513 HG SER 63 HG SER 63 -21.557 -3.979 -7.238 514 H SER 64 H SER 64 -22.582 -5.924 -9.043 515 HA SER 64 HA SER 64 -22.895 -7.849 -11.237 516 1HB SER 64 HB2 SER 64 -23.985 -8.465 -9.134 517 2HB SER 64 HB3 SER 64 -24.885 -6.949 -9.141 518 HG SER 64 HG SER 64 -26.274 -8.317 -10.058 519 H THR 65 H THR 65 -24.662 -4.983 -10.024 520 HA THR 65 HA THR 65 -25.928 -4.500 -12.507 521 HB THR 65 HB THR 65 -25.565 -2.583 -10.205 522 HG1 THR 65 HG1 THR 65 -27.137 -3.659 -9.285 523 1HG2 THR 65 2HG2 THR 65 -27.521 -2.562 -12.507 524 2HG2 THR 65 1HG2 THR 65 -27.534 -1.448 -11.141 525 3HG2 THR 65 3HG2 THR 65 -26.182 -1.439 -12.272 526 HA PRO 66 HA PRO 66 -22.660 -0.991 -13.076 527 1HB PRO 66 HB2 PRO 66 -20.463 -1.642 -11.262 528 2HB PRO 66 HB3 PRO 66 -21.364 -0.134 -11.421 529 1HG PRO 66 HG2 PRO 66 -21.594 -1.730 -9.254 530 2HG PRO 66 HG3 PRO 66 -22.946 -0.760 -9.870 531 1HD PRO 66 HD2 PRO 66 -22.375 -3.679 -10.270 532 2HD PRO 66 HD3 PRO 66 -23.917 -2.882 -9.895 533 H MET 67 H MET 67 -19.901 -1.157 -13.298 534 HA MET 67 HA MET 67 -19.280 -3.776 -14.422 535 1HB MET 67 HB2 MET 67 -19.239 -1.221 -16.042 536 2HB MET 67 HB3 MET 67 -18.493 -2.729 -16.554 537 1HG MET 67 HG2 MET 67 -20.700 -3.815 -16.481 538 2HG MET 67 HG3 MET 67 -21.423 -2.268 -16.045 539 1HE MET 67 HE1 MET 67 -19.717 -0.240 -17.809 540 2HE MET 67 HE3 MET 67 -20.725 -0.124 -19.253 541 3HE MET 67 HE2 MET 67 -21.472 -0.151 -17.655 542 H VAL 68 H VAL 68 -18.435 -1.805 -12.264 543 HA VAL 68 HA VAL 68 -15.661 -1.307 -13.019 544 HB VAL 68 HB VAL 68 -17.029 0.462 -11.889 545 1HG1 VAL 68 3HG1 VAL 68 -18.261 -0.962 -10.343 546 2HG1 VAL 68 2HG1 VAL 68 -16.765 -1.354 -9.495 547 3HG1 VAL 68 1HG1 VAL 68 -17.383 0.298 -9.475 548 1HG2 VAL 68 2HG2 VAL 68 -14.596 0.549 -11.887 549 2HG2 VAL 68 1HG2 VAL 68 -15.240 1.162 -10.363 550 3HG2 VAL 68 3HG2 VAL 68 -14.547 -0.458 -10.440 551 H GLY 69 H GLY 69 -13.918 -2.239 -12.012 552 1HA GLY 69 HA3 GLY 69 -14.538 -4.493 -10.201 553 2HA GLY 69 HA2 GLY 69 -13.130 -3.464 -9.980 554 H VAL 70 H VAL 70 -11.467 -4.835 -10.306 555 HA VAL 70 HA VAL 70 -11.528 -6.766 -12.458 556 HB VAL 70 HB VAL 70 -10.843 -4.582 -13.518 557 1HG1 VAL 70 2HG1 VAL 70 -9.518 -3.762 -11.593 558 2HG1 VAL 70 1HG1 VAL 70 -8.303 -4.990 -11.947 559 3HG1 VAL 70 3HG1 VAL 70 -8.633 -3.715 -13.119 560 1HG2 VAL 70 1HG2 VAL 70 -10.310 -6.765 -14.505 561 2HG2 VAL 70 3HG2 VAL 70 -9.066 -5.563 -14.843 562 3HG2 VAL 70 2HG2 VAL 70 -8.793 -6.791 -13.607 563 H GLY 71 H GLY 71 -10.969 -6.308 -9.425 564 1HA GLY 71 HA3 GLY 71 -8.501 -6.768 -8.552 565 2HA GLY 71 HA2 GLY 71 -8.872 -8.312 -9.296 566 H GLY 72 H GLY 72 -9.555 -6.140 -6.665 567 1HA GLY 72 HA3 GLY 72 -11.190 -8.244 -5.396 568 2HA GLY 72 HA2 GLY 72 -11.316 -6.532 -5.027 569 H ILE 73 H ILE 73 -8.280 -6.413 -5.153 570 HA ILE 73 HA ILE 73 -7.866 -7.184 -2.377 571 HB ILE 73 HB ILE 73 -5.628 -8.088 -2.888 572 1HG1 ILE 73 2HG1 ILE 73 -6.426 -8.504 -5.728 573 2HG1 ILE 73 3HG1 ILE 73 -5.694 -6.971 -5.255 574 1HG2 ILE 73 1HG2 ILE 73 -7.571 -9.544 -2.491 575 2HG2 ILE 73 3HG2 ILE 73 -7.800 -9.651 -4.238 576 3HG2 ILE 73 2HG2 ILE 73 -6.322 -10.278 -3.499 577 1HD1 ILE 73 1HD1 ILE 73 -3.768 -8.196 -4.349 578 2HD1 ILE 73 3HD1 ILE 73 -4.495 -9.708 -4.896 579 3HD1 ILE 73 2HD1 ILE 73 -4.005 -8.489 -6.074 580 H TYR 74 H TYR 74 -5.161 -6.623 -2.248 581 HA TYR 74 HA TYR 74 -4.898 -3.859 -3.184 582 1HB TYR 74 HB2 TYR 74 -4.035 -4.604 -0.409 583 2HB TYR 74 HB3 TYR 74 -4.441 -3.018 -1.056 584 HD1 TYR 74 HD1 TYR 74 -5.874 -6.221 0.123 585 HD2 TYR 74 HD2 TYR 74 -6.673 -2.187 -0.958 586 HE1 TYR 74 HE1 TYR 74 -8.132 -6.428 1.055 587 HE2 TYR 74 HE2 TYR 74 -8.938 -2.391 -0.017 588 HH TYR 74 HH TYR 74 -9.895 -4.960 1.955 589 H VAL 75 H VAL 75 -3.181 -4.039 -4.529 590 HA VAL 75 HA VAL 75 -1.002 -5.856 -3.873 591 HB VAL 75 HB VAL 75 -1.509 -4.165 -6.324 592 1HG1 VAL 75 3HG1 VAL 75 0.711 -6.132 -5.774 593 2HG1 VAL 75 2HG1 VAL 75 0.368 -5.396 -7.340 594 3HG1 VAL 75 1HG1 VAL 75 0.882 -4.390 -5.985 595 1HG2 VAL 75 1HG2 VAL 75 -3.023 -6.067 -6.062 596 2HG2 VAL 75 3HG2 VAL 75 -1.925 -6.301 -7.422 597 3HG2 VAL 75 2HG2 VAL 75 -1.638 -7.148 -5.902 598 H VAL 76 H VAL 76 0.354 -5.044 -2.398 599 HA VAL 76 HA VAL 76 1.231 -2.250 -2.698 600 HB VAL 76 HB VAL 76 1.577 -4.038 -0.291 601 1HG1 VAL 76 3HG1 VAL 76 1.965 -1.068 -0.657 602 2HG1 VAL 76 2HG1 VAL 76 2.102 -1.938 0.871 603 3HG1 VAL 76 1HG1 VAL 76 3.239 -2.266 -0.438 604 1HG2 VAL 76 1HG2 VAL 76 -0.789 -3.611 -0.705 605 2HG2 VAL 76 3HG2 VAL 76 -0.233 -2.746 0.728 606 3HG2 VAL 76 2HG2 VAL 76 -0.470 -1.878 -0.789 607 H LEU 77 H LEU 77 3.147 -1.906 -3.587 608 HA LEU 77 HA LEU 77 5.217 -3.989 -3.371 609 1HB LEU 77 HB2 LEU 77 4.804 -1.835 -5.441 610 2HB LEU 77 HB3 LEU 77 6.257 -2.812 -5.346 611 HG LEU 77 HG LEU 77 3.456 -3.830 -5.875 612 1HD1 LEU 77 1HD1 LEU 77 5.854 -3.591 -7.685 613 2HD1 LEU 77 3HD1 LEU 77 4.314 -4.337 -8.107 614 3HD1 LEU 77 2HD1 LEU 77 4.391 -2.609 -7.762 615 1HD2 LEU 77 2HD2 LEU 77 5.150 -5.307 -4.585 616 2HD2 LEU 77 1HD2 LEU 77 4.287 -5.986 -5.968 617 3HD2 LEU 77 3HD2 LEU 77 5.954 -5.444 -6.148 618 H VAL 78 H VAL 78 6.345 -3.446 -1.577 619 HA VAL 78 HA VAL 78 7.039 -0.634 -1.171 620 HB VAL 78 HB VAL 78 8.116 -2.405 0.838 621 1HG1 VAL 78 2HG1 VAL 78 7.764 -0.003 1.134 622 2HG1 VAL 78 1HG1 VAL 78 6.021 -0.220 0.932 623 3HG1 VAL 78 3HG1 VAL 78 6.847 -0.919 2.329 624 1HG2 VAL 78 1HG2 VAL 78 6.267 -3.869 0.163 625 2HG2 VAL 78 3HG2 VAL 78 6.033 -3.218 1.784 626 3HG2 VAL 78 2HG2 VAL 78 5.133 -2.544 0.426 627 H LYS 79 H LYS 79 8.711 -0.071 -2.403 628 HA LYS 79 HA LYS 79 11.048 -1.828 -2.550 629 1HB LYS 79 HB2 LYS 79 9.857 0.229 -4.327 630 2HB LYS 79 HB3 LYS 79 11.606 0.088 -4.329 631 1HG LYS 79 HG2 LYS 79 11.362 -2.331 -4.824 632 2HG LYS 79 HG3 LYS 79 9.611 -2.077 -4.971 633 1HD LYS 79 HD2 LYS 79 11.715 -0.661 -6.615 634 2HD LYS 79 HD3 LYS 79 10.795 -2.070 -7.150 635 1HE LYS 79 HE2 LYS 79 8.718 -0.816 -6.927 636 2HE LYS 79 HE3 LYS 79 9.615 0.587 -6.349 637 1HZ LYS 79 HZ1 LYS 79 9.898 -0.647 -9.035 638 2HZ LYS 79 HZ3 LYS 79 9.060 0.783 -8.693 639 3HZ LYS 79 HZ2 LYS 79 10.736 0.713 -8.479 640 HA PRO 80 HA PRO 80 12.706 0.986 0.630 641 1HB PRO 80 HB2 PRO 80 15.089 -0.683 0.002 642 2HB PRO 80 HB3 PRO 80 14.398 -0.249 1.568 643 1HG PRO 80 HG2 PRO 80 14.069 -2.693 0.537 644 2HG PRO 80 HG3 PRO 80 12.791 -1.898 1.469 645 1HD PRO 80 HD2 PRO 80 13.004 -2.339 -1.462 646 2HD PRO 80 HD3 PRO 80 11.564 -2.274 -0.430 647 H ARG 81 H ARG 81 12.781 2.885 -0.560 648 HA ARG 81 HA ARG 81 14.513 3.307 -2.764 649 1HB ARG 81 HB2 ARG 81 12.504 4.771 -1.343 650 2HB ARG 81 HB3 ARG 81 13.918 5.793 -1.557 651 1HG ARG 81 HG2 ARG 81 13.854 5.404 -3.953 652 2HG ARG 81 HG3 ARG 81 12.478 4.318 -3.749 653 1HD ARG 81 HD2 ARG 81 11.125 6.139 -2.905 654 2HD ARG 81 HD3 ARG 81 12.502 7.236 -2.993 655 HE ARG 81 HE ARG 81 12.284 6.384 -5.534 656 1HH1 ARG 81 1HH1 ARG 81 9.950 7.657 -3.284 657 2HH1 ARG 81 2HH1 ARG 81 8.966 8.377 -4.514 658 1HH2 ARG 81 1HH2 ARG 81 10.998 7.328 -7.159 659 2HH2 ARG 81 2HH2 ARG 81 9.562 8.191 -6.717 660 H LYS 82 H LYS 82 14.747 4.050 0.688 661 HA LYS 82 HA LYS 82 17.561 4.813 0.256 662 1HB LYS 82 HB2 LYS 82 15.779 5.640 2.552 663 2HB LYS 82 HB3 LYS 82 17.416 6.200 2.239 664 1HG LYS 82 HG2 LYS 82 16.605 7.207 0.118 665 2HG LYS 82 HG3 LYS 82 14.964 6.755 0.586 666 1HD LYS 82 HD2 LYS 82 15.141 8.123 2.592 667 2HD LYS 82 HD3 LYS 82 16.800 8.552 2.168 668 1HE LYS 82 HE2 LYS 82 15.971 9.594 0.094 669 2HE LYS 82 HE3 LYS 82 14.321 9.218 0.586 670 1HZ LYS 82 HZ1 LYS 82 14.628 10.610 2.541 671 2HZ LYS 82 HZ3 LYS 82 16.207 10.977 2.058 672 3HZ LYS 82 HZ2 LYS 82 14.895 11.495 1.125 673 H ARG 83 H ARG 83 18.996 4.363 2.145 674 HA ARG 83 HA ARG 83 18.416 1.688 3.193 675 1HB ARG 83 HB2 ARG 83 21.059 3.139 3.253 676 2HB ARG 83 HB3 ARG 83 20.769 1.416 3.446 677 1HG ARG 83 HG2 ARG 83 20.420 1.083 1.191 678 2HG ARG 83 HG3 ARG 83 20.006 2.774 0.902 679 1HD ARG 83 HD2 ARG 83 22.739 1.676 1.532 680 2HD ARG 83 HD3 ARG 83 22.182 2.280 -0.027 681 HE ARG 83 HE ARG 83 21.839 4.322 1.828 682 1HH1 ARG 83 1HH1 ARG 83 24.451 2.512 0.397 683 2HH1 ARG 83 2HH1 ARG 83 25.593 3.807 0.533 684 1HH2 ARG 83 1HH2 ARG 83 23.337 6.030 2.011 685 2HH2 ARG 83 2HH2 ARG 83 24.961 5.806 1.452 686 H GLY 84 H GLY 84 17.742 1.511 5.237 687 1HA GLY 84 HA3 GLY 84 17.998 3.762 7.049 688 2HA GLY 84 HA2 GLY 84 18.901 2.329 7.518 689 H HIS 85 H HIS 85 16.653 3.642 8.867 690 HA HIS 85 HA HIS 85 15.050 1.256 9.262 691 1HB HIS 85 HB2 HIS 85 15.906 2.518 11.199 692 2HB HIS 85 HB3 HIS 85 14.949 3.908 10.701 693 HD1 HIS 85 HD1 HIS 85 12.568 3.995 11.479 694 HD2 HIS 85 HD2 HIS 85 14.301 0.263 12.057 695 HE1 HIS 85 HE1 HIS 85 10.905 2.683 12.834 696 HE2 HIS 85 HE2 HIS 85 12.016 0.461 13.250 697 H HIS 86 H HIS 86 13.575 0.995 7.734 698 HA HIS 86 HA HIS 86 11.736 3.228 7.169 699 1HB HIS 86 HB2 HIS 86 12.479 0.911 5.368 700 2HB HIS 86 HB3 HIS 86 11.308 2.169 4.983 701 HD1 HIS 86 HD1 HIS 86 13.942 3.860 6.643 702 HD2 HIS 86 HD2 HIS 86 13.437 2.311 2.822 703 HE1 HIS 86 HE1 HIS 86 15.648 5.029 5.215 704 HE2 HIS 86 HE2 HIS 86 15.251 4.152 2.887 705 H THR 87 H THR 87 9.498 2.465 6.529 706 HA THR 87 HA THR 87 8.683 -0.117 7.508 707 HB THR 87 HB THR 87 7.750 2.338 9.001 708 HG1 THR 87 HG1 THR 87 9.029 1.629 10.645 709 1HG2 THR 87 1HG2 THR 87 6.034 0.595 8.746 710 2HG2 THR 87 3HG2 THR 87 7.146 -0.584 9.441 711 3HG2 THR 87 2HG2 THR 87 6.563 0.762 10.420 712 H LEU 88 H LEU 88 6.569 -0.675 6.954 713 HA LEU 88 HA LEU 88 5.218 1.208 5.137 714 1HB LEU 88 HB2 LEU 88 5.983 -0.648 3.871 715 2HB LEU 88 HB3 LEU 88 5.439 -1.791 5.079 716 HG LEU 88 HG LEU 88 3.060 -0.891 4.507 717 1HD1 LEU 88 1HD1 LEU 88 3.860 0.987 3.140 718 2HD1 LEU 88 3HD1 LEU 88 4.547 -0.162 1.992 719 3HD1 LEU 88 2HD1 LEU 88 2.803 -0.100 2.240 720 1HD2 LEU 88 2HD2 LEU 88 4.715 -2.707 2.786 721 2HD2 LEU 88 1HD2 LEU 88 3.579 -3.139 4.061 722 3HD2 LEU 88 3HD2 LEU 88 2.984 -2.483 2.535 723 H GLU 89 H GLU 89 3.862 2.137 6.635 724 HA GLU 89 HA GLU 89 2.321 0.579 8.465 725 1HB GLU 89 HB2 GLU 89 2.221 3.480 7.655 726 2HB GLU 89 HB3 GLU 89 1.179 2.779 8.886 727 1HG GLU 89 HG2 GLU 89 3.063 2.201 10.226 728 2HG GLU 89 HG3 GLU 89 4.180 2.745 8.978 729 H LEU 90 H LEU 90 0.960 -0.834 7.443 730 HA LEU 90 HA LEU 90 -1.005 0.340 5.591 731 1HB LEU 90 HB2 LEU 90 -0.087 -2.504 5.955 732 2HB LEU 90 HB3 LEU 90 -1.538 -2.096 5.066 733 HG LEU 90 HG LEU 90 1.270 -1.229 4.368 734 1HD1 LEU 90 3HD1 LEU 90 -0.601 -3.221 3.100 735 2HD1 LEU 90 2HD1 LEU 90 0.919 -2.671 2.394 736 3HD1 LEU 90 1HD1 LEU 90 0.925 -3.570 3.911 737 1HD2 LEU 90 1HD2 LEU 90 -1.341 -0.729 2.942 738 2HD2 LEU 90 3HD2 LEU 90 -0.351 0.481 3.759 739 3HD2 LEU 90 2HD2 LEU 90 0.262 -0.335 2.322 740 H VAL 91 H VAL 91 -3.077 0.482 6.181 741 HA VAL 91 HA VAL 91 -3.963 -1.003 8.558 742 HB VAL 91 HB VAL 91 -3.334 1.216 9.317 743 1HG1 VAL 91 1HG1 VAL 91 -5.219 2.215 7.183 744 2HG1 VAL 91 3HG1 VAL 91 -4.517 3.218 8.454 745 3HG1 VAL 91 2HG1 VAL 91 -3.471 2.452 7.259 746 1HG2 VAL 91 2HG2 VAL 91 -5.275 0.175 10.366 747 2HG2 VAL 91 1HG2 VAL 91 -5.446 1.928 10.317 748 3HG2 VAL 91 3HG2 VAL 91 -6.333 0.924 9.171 749 H TYR 92 H TYR 92 -6.247 -1.231 8.760 750 HA TYR 92 HA TYR 92 -7.675 -1.160 6.200 751 1HB TYR 92 HB2 TYR 92 -7.445 -3.292 7.616 752 2HB TYR 92 HB3 TYR 92 -8.579 -2.537 8.728 753 HD1 TYR 92 HD1 TYR 92 -10.569 -3.701 8.568 754 HD2 TYR 92 HD2 TYR 92 -8.522 -2.639 4.994 755 HE1 TYR 92 HE1 TYR 92 -12.445 -4.576 7.240 756 HE2 TYR 92 HE2 TYR 92 -10.393 -3.509 3.657 757 HH TYR 92 HH TYR 92 -12.239 -5.121 3.902 758 H THR 93 H THR 93 -8.197 1.054 6.215 759 HA THR 93 HA THR 93 -10.080 1.912 8.326 760 HB THR 93 HB THR 93 -8.055 3.191 8.478 761 HG1 THR 93 HG1 THR 93 -9.813 4.886 7.047 762 1HG2 THR 93 3HG2 THR 93 -8.326 3.252 5.522 763 2HG2 THR 93 2HG2 THR 93 -7.629 4.674 6.304 764 3HG2 THR 93 1HG2 THR 93 -6.882 3.089 6.524 765 H ARG 94 H ARG 94 -11.515 3.741 7.615 766 HA ARG 94 HA ARG 94 -12.626 3.131 4.971 767 1HB ARG 94 HB2 ARG 94 -13.835 4.649 7.291 768 2HB ARG 94 HB3 ARG 94 -14.652 4.276 5.780 769 1HG ARG 94 HG2 ARG 94 -14.453 1.885 6.274 770 2HG ARG 94 HG3 ARG 94 -13.668 2.281 7.804 771 1HD ARG 94 HD2 ARG 94 -16.039 1.791 8.124 772 2HD ARG 94 HD3 ARG 94 -15.665 3.463 8.541 773 HE ARG 94 HE ARG 94 -16.499 3.341 5.860 774 1HH1 ARG 94 1HH1 ARG 94 -17.764 2.989 9.088 775 2HH1 ARG 94 2HH1 ARG 94 -19.362 3.493 8.656 776 1HH2 ARG 94 1HH2 ARG 94 -18.601 4.007 5.282 777 2HH2 ARG 94 2HH2 ARG 94 -19.838 4.074 6.492 778 HA PRO 95 HA PRO 95 -10.228 6.881 3.770 779 1HB PRO 95 HB2 PRO 95 -11.880 6.149 1.378 780 2HB PRO 95 HB3 PRO 95 -10.205 6.707 1.454 781 1HG PRO 95 HG2 PRO 95 -10.763 4.120 1.121 782 2HG PRO 95 HG3 PRO 95 -9.410 4.637 2.141 783 1HD PRO 95 HD2 PRO 95 -12.032 3.505 2.918 784 2HD PRO 95 HD3 PRO 95 -10.477 3.449 3.765 785 H PHE 96 H PHE 96 -13.664 6.208 3.273 786 HA PHE 96 HA PHE 96 -14.447 8.857 2.727 787 1HB PHE 96 HB2 PHE 96 -16.027 6.507 3.777 788 2HB PHE 96 HB3 PHE 96 -16.712 7.986 3.134 789 HD1 PHE 96 HD1 PHE 96 -16.959 8.327 0.812 790 HD2 PHE 96 HD2 PHE 96 -14.733 5.005 2.269 791 HE1 PHE 96 HE1 PHE 96 -16.908 7.371 -1.455 792 HE2 PHE 96 HE2 PHE 96 -14.676 4.045 0.005 793 HZ PHE 96 HZ PHE 96 -15.765 5.228 -1.861 794 H GLU 97 H GLU 97 -14.428 6.914 5.702 795 HA GLU 97 HA GLU 97 -15.350 9.216 7.242 796 1HB GLU 97 HB2 GLU 97 -14.783 6.379 8.124 797 2HB GLU 97 HB3 GLU 97 -15.489 7.639 9.125 798 1HG GLU 97 HG2 GLU 97 -16.711 6.474 6.634 799 2HG GLU 97 HG3 GLU 97 -17.182 6.108 8.293 800 H GLY 98 H GLY 98 -12.970 6.760 8.161 801 1HA GLY 98 HA3 GLY 98 -11.397 8.645 9.607 802 2HA GLY 98 HA2 GLY 98 -10.634 8.242 8.074 803 H ILE 99 H ILE 99 -9.064 7.595 9.918 804 HA ILE 99 HA ILE 99 -9.251 4.695 10.081 805 HB ILE 99 HB ILE 99 -6.902 6.314 10.995 806 1HG1 ILE 99 2HG1 ILE 99 -7.261 5.363 8.158 807 2HG1 ILE 99 3HG1 ILE 99 -7.748 6.983 8.652 808 1HG2 ILE 99 2HG2 ILE 99 -7.459 3.502 10.178 809 2HG2 ILE 99 1HG2 ILE 99 -5.848 4.166 9.879 810 3HG2 ILE 99 3HG2 ILE 99 -6.493 4.120 11.520 811 1HD1 ILE 99 3HD1 ILE 99 -4.970 5.829 8.835 812 2HD1 ILE 99 2HD1 ILE 99 -5.542 6.988 7.634 813 3HD1 ILE 99 1HD1 ILE 99 -5.450 7.451 9.335 814 H LYS 100 H LYS 100 -8.906 3.531 12.005 815 HA LYS 100 HA LYS 100 -9.134 5.008 14.521 816 1HB LYS 100 HB2 LYS 100 -11.001 2.801 13.651 817 2HB LYS 100 HB3 LYS 100 -10.967 3.512 15.248 818 1HG LYS 100 HG2 LYS 100 -11.734 5.599 14.435 819 2HG LYS 100 HG3 LYS 100 -11.468 5.115 12.759 820 1HD LYS 100 HD2 LYS 100 -13.174 3.174 13.792 821 2HD LYS 100 HD3 LYS 100 -13.773 4.697 14.453 822 1HE LYS 100 HE2 LYS 100 -13.222 4.151 11.541 823 2HE LYS 100 HE3 LYS 100 -14.816 4.139 12.296 824 1HZ LYS 100 HZ1 LYS 100 -14.509 6.474 12.871 825 2HZ LYS 100 HZ3 LYS 100 -12.997 6.479 12.111 826 3HZ LYS 100 HZ2 LYS 100 -14.401 6.238 11.200 827 HA PRO 101 HA PRO 101 -6.422 1.969 16.185 828 1HB PRO 101 HB2 PRO 101 -7.473 1.485 18.655 829 2HB PRO 101 HB3 PRO 101 -6.597 2.962 18.243 830 1HG PRO 101 HG2 PRO 101 -9.547 2.487 18.394 831 2HG PRO 101 HG3 PRO 101 -8.607 3.883 18.951 832 1HD PRO 101 HD2 PRO 101 -10.001 3.901 16.636 833 2HD PRO 101 HD3 PRO 101 -8.487 4.805 16.847 834 H GLU 102 H GLU 102 -9.851 1.190 16.673 835 HA GLU 102 HA GLU 102 -9.537 -1.560 17.097 836 1HB GLU 102 HB2 GLU 102 -11.941 -1.703 16.390 837 2HB GLU 102 HB3 GLU 102 -11.610 -0.552 17.680 838 1HG GLU 102 HG2 GLU 102 -11.604 1.259 16.050 839 2HG GLU 102 HG3 GLU 102 -11.970 0.102 14.774 840 H ASN 103 H ASN 103 -9.561 0.357 14.212 841 HA ASN 103 HA ASN 103 -10.172 -1.531 12.270 842 1HB ASN 103 HB2 ASN 103 -8.296 0.831 12.215 843 2HB ASN 103 HB3 ASN 103 -8.658 -0.127 10.785 844 1HD2 ASN 103 1HD2 ASN 103 -11.112 0.319 13.169 845 2HD2 ASN 103 2HD2 ASN 103 -12.070 1.445 12.276 846 H GLU 104 H GLU 104 -8.920 -2.923 10.983 847 HA GLU 104 HA GLU 104 -7.008 -4.455 12.279 848 1HB GLU 104 HB2 GLU 104 -8.233 -4.334 9.666 849 2HB GLU 104 HB3 GLU 104 -6.542 -4.784 9.554 850 1HG GLU 104 HG2 GLU 104 -7.692 -6.802 9.744 851 2HG GLU 104 HG3 GLU 104 -7.043 -6.503 11.351 852 H ARG 105 H ARG 105 -4.754 -4.809 11.636 853 HA ARG 105 HA ARG 105 -3.411 -2.339 10.756 854 1HB ARG 105 HB2 ARG 105 -3.341 -2.583 13.234 855 2HB ARG 105 HB3 ARG 105 -2.520 -4.124 13.032 856 1HG ARG 105 HG2 ARG 105 -0.736 -2.742 13.432 857 2HG ARG 105 HG3 ARG 105 -0.814 -2.686 11.667 858 1HD ARG 105 HD2 ARG 105 -1.921 -0.586 11.681 859 2HD ARG 105 HD3 ARG 105 -2.185 -0.671 13.424 860 HE ARG 105 HE ARG 105 0.561 -0.798 12.954 861 1HH1 ARG 105 1HH1 ARG 105 -2.071 1.462 12.618 862 2HH1 ARG 105 2HH1 ARG 105 -1.070 2.859 12.833 863 1HH2 ARG 105 1HH2 ARG 105 1.887 1.038 13.240 864 2HH2 ARG 105 2HH2 ARG 105 1.180 2.618 13.186 865 H TYR 106 H TYR 106 -1.186 -2.683 10.023 866 HA TYR 106 HA TYR 106 -0.015 -5.193 9.617 867 1HB TYR 106 HB2 TYR 106 -1.929 -5.451 8.036 868 2HB TYR 106 HB3 TYR 106 -1.303 -4.082 7.117 869 HD1 TYR 106 HD1 TYR 106 -0.654 -7.566 8.134 870 HD2 TYR 106 HD2 TYR 106 0.553 -4.351 5.624 871 HE1 TYR 106 HE1 TYR 106 0.774 -9.107 6.857 872 HE2 TYR 106 HE2 TYR 106 1.985 -5.883 4.341 873 HH TYR 106 HH TYR 106 1.789 -9.263 4.636 874 H THR 107 H THR 107 1.392 -3.521 10.604 875 HA THR 107 HA THR 107 2.552 -1.602 8.746 876 HB THR 107 HB THR 107 3.343 -2.093 11.618 877 HG1 THR 107 HG1 THR 107 1.140 -1.552 11.558 878 1HG2 THR 107 1HG2 THR 107 3.644 0.298 9.801 879 2HG2 THR 107 3HG2 THR 107 4.119 0.233 11.498 880 3HG2 THR 107 2HG2 THR 107 4.933 -0.790 10.315 881 H LEU 108 H LEU 108 3.690 -2.884 7.292 882 HA LEU 108 HA LEU 108 5.484 -4.939 8.106 883 1HB LEU 108 HB2 LEU 108 4.480 -5.007 5.918 884 2HB LEU 108 HB3 LEU 108 5.176 -3.458 5.501 885 HG LEU 108 HG LEU 108 7.413 -4.419 5.497 886 1HD1 LEU 108 1HD1 LEU 108 7.083 -6.079 7.263 887 2HD1 LEU 108 3HD1 LEU 108 6.060 -7.025 6.180 888 3HD1 LEU 108 2HD1 LEU 108 7.770 -6.804 5.808 889 1HD2 LEU 108 1HD2 LEU 108 6.054 -4.505 3.451 890 2HD2 LEU 108 3HD2 LEU 108 7.205 -5.837 3.557 891 3HD2 LEU 108 2HD2 LEU 108 5.499 -6.115 3.909 892 H HIS 109 H HIS 109 6.989 -4.173 9.545 893 HA HIS 109 HA HIS 109 8.539 -1.815 8.998 894 1HB HIS 109 HB2 HIS 109 8.524 -3.875 11.150 895 2HB HIS 109 HB3 HIS 109 9.901 -2.794 10.990 896 HD1 HIS 109 HD1 HIS 109 9.666 -0.518 11.997 897 HD2 HIS 109 HD2 HIS 109 6.026 -2.492 11.657 898 HE1 HIS 109 HE1 HIS 109 8.001 0.934 13.199 899 HE2 HIS 109 HE2 HIS 109 5.818 -0.317 13.042 900 H LEU 110 H LEU 110 10.663 -1.685 8.399 901 HA LEU 110 HA LEU 110 12.082 -4.102 7.619 902 1HB LEU 110 HB2 LEU 110 11.457 -1.870 5.687 903 2HB LEU 110 HB3 LEU 110 12.548 -3.201 5.361 904 HG LEU 110 HG LEU 110 9.591 -3.505 5.905 905 1HD1 LEU 110 1HD1 LEU 110 11.121 -3.483 3.308 906 2HD1 LEU 110 3HD1 LEU 110 9.437 -3.980 3.483 907 3HD1 LEU 110 2HD1 LEU 110 9.907 -2.316 3.834 908 1HD2 LEU 110 1HD2 LEU 110 11.032 -5.453 6.475 909 2HD2 LEU 110 3HD2 LEU 110 9.865 -5.772 5.192 910 3HD2 LEU 110 2HD2 LEU 110 11.559 -5.494 4.792 911 H ASN 111 H ASN 111 13.864 -3.764 8.857 912 HA ASN 111 HA ASN 111 15.087 -1.174 9.103 913 1HB ASN 111 HB2 ASN 111 15.200 -2.808 10.950 914 2HB ASN 111 HB3 ASN 111 16.109 -3.910 9.921 915 1HD2 ASN 111 1HD2 ASN 111 17.875 -3.940 11.279 916 2HD2 ASN 111 2HD2 ASN 111 18.941 -2.591 11.449 917 H VAL 112 H VAL 112 15.130 -1.008 6.706 918 HA VAL 112 HA VAL 112 16.574 -2.538 4.954 919 HB VAL 112 HB VAL 112 16.675 0.454 4.755 920 1HG1 VAL 112 3HG1 VAL 112 17.742 -0.934 3.024 921 2HG1 VAL 112 2HG1 VAL 112 16.186 -1.704 2.716 922 3HG1 VAL 112 1HG1 VAL 112 16.397 0.016 2.393 923 1HG2 VAL 112 3HG2 VAL 112 14.254 -1.308 4.486 924 2HG2 VAL 112 2HG2 VAL 112 14.444 0.152 5.456 925 3HG2 VAL 112 1HG2 VAL 112 14.376 0.265 3.697 926 H LYS 113 H LYS 113 18.649 -3.006 4.661 927 HA LYS 113 HA LYS 113 20.648 -2.019 6.434 928 1HB LYS 113 HB2 LYS 113 20.887 -3.721 3.947 929 2HB LYS 113 HB3 LYS 113 22.185 -3.431 5.096 930 1HG LYS 113 HG2 LYS 113 19.571 -4.778 5.745 931 2HG LYS 113 HG3 LYS 113 21.093 -5.608 5.416 932 1HD LYS 113 HD2 LYS 113 22.118 -4.517 7.343 933 2HD LYS 113 HD3 LYS 113 20.615 -3.648 7.661 934 1HE LYS 113 HE2 LYS 113 19.463 -5.767 8.041 935 2HE LYS 113 HE3 LYS 113 20.956 -6.644 7.708 936 1HZ LYS 113 HZ1 LYS 113 20.549 -4.723 9.935 937 2HZ LYS 113 HZ3 LYS 113 20.567 -6.408 10.082 938 3HZ LYS 113 HZ2 LYS 113 21.970 -5.584 9.622 No H/Q in entry = 938 Start of MODEL 25 1 H1 GLY -2 HT1 GLY -2 -25.729 -7.972 9.787 2 H2 GLY -2 HT3 GLY -2 -26.625 -8.790 8.607 3 H3 GLY -2 HT2 GLY -2 -27.207 -8.688 10.192 4 1HA GLY -2 HA2 GLY -2 -24.769 -10.143 9.325 5 2HA GLY -2 HA3 GLY -2 -26.302 -10.885 9.752 6 H SER -1 H SER -1 -24.721 -12.035 11.226 7 HA SER -1 HA SER -1 -24.826 -10.724 13.830 8 1HB SER -1 HB2 SER -1 -24.345 -12.972 14.736 9 2HB SER -1 HB3 SER -1 -25.750 -12.986 13.670 10 HG SER -1 HG SER -1 -23.589 -13.439 12.196 11 H HIS 0 H HIS 0 -22.485 -12.357 11.721 12 HA HIS 0 HA HIS 0 -20.365 -10.674 12.700 13 1HB HIS 0 HB2 HIS 0 -18.910 -12.556 13.409 14 2HB HIS 0 HB3 HIS 0 -20.326 -12.364 14.438 15 HD1 HIS 0 HD1 HIS 0 -21.985 -14.288 14.531 16 HD2 HIS 0 HD2 HIS 0 -18.942 -14.873 11.763 17 HE1 HIS 0 HE1 HIS 0 -22.175 -16.694 13.823 18 HE2 HIS 0 HE2 HIS 0 -20.374 -17.002 12.087 19 H MET 1 H MET 1 -18.189 -11.512 11.681 20 HA MET 1 HA MET 1 -18.780 -12.348 8.917 21 1HB MET 1 HB2 MET 1 -16.658 -10.420 9.876 22 2HB MET 1 HB3 MET 1 -16.863 -10.955 8.213 23 1HG MET 1 HG2 MET 1 -18.868 -9.392 9.824 24 2HG MET 1 HG3 MET 1 -17.812 -8.744 8.570 25 1HE MET 1 HE3 MET 1 -19.912 -7.683 7.342 26 2HE MET 1 HE2 MET 1 -21.346 -8.601 6.884 27 3HE MET 1 HE1 MET 1 -20.979 -8.330 8.588 28 H ILE 2 H ILE 2 -17.138 -13.556 7.821 29 HA ILE 2 HA ILE 2 -15.622 -15.259 9.657 30 HB ILE 2 HB ILE 2 -15.358 -16.771 7.719 31 1HG1 ILE 2 2HG1 ILE 2 -17.196 -14.830 6.297 32 2HG1 ILE 2 3HG1 ILE 2 -15.473 -14.997 5.972 33 1HG2 ILE 2 1HG2 ILE 2 -17.221 -17.061 9.260 34 2HG2 ILE 2 3HG2 ILE 2 -18.203 -15.955 8.298 35 3HG2 ILE 2 2HG2 ILE 2 -17.691 -17.500 7.618 36 1HD1 ILE 2 1HD1 ILE 2 -15.830 -17.307 5.273 37 2HD1 ILE 2 3HD1 ILE 2 -17.556 -17.132 5.589 38 3HD1 ILE 2 2HD1 ILE 2 -16.791 -16.176 4.320 39 H ALA 3 H ALA 3 -14.928 -12.473 8.447 40 HA ALA 3 HA ALA 3 -12.740 -12.715 6.743 41 1HB ALA 3 HB1 ALA 3 -12.113 -10.475 7.463 42 2HB ALA 3 HB2 ALA 3 -13.204 -10.601 8.842 43 3HB ALA 3 HB3 ALA 3 -13.854 -10.590 7.203 44 HA PRO 4 HA PRO 4 -9.851 -12.881 10.596 45 1HB PRO 4 HB2 PRO 4 -10.915 -13.467 13.006 46 2HB PRO 4 HB3 PRO 4 -10.811 -11.811 12.397 47 1HG PRO 4 HG2 PRO 4 -13.148 -13.683 12.411 48 2HG PRO 4 HG3 PRO 4 -13.097 -11.956 12.810 49 1HD PRO 4 HD2 PRO 4 -13.945 -12.899 10.406 50 2HD PRO 4 HD3 PRO 4 -13.164 -11.317 10.603 51 H LEU 5 H LEU 5 -9.002 -14.697 11.996 52 HA LEU 5 HA LEU 5 -10.319 -17.262 11.499 53 1HB LEU 5 HB2 LEU 5 -8.544 -16.630 9.717 54 2HB LEU 5 HB3 LEU 5 -7.376 -16.959 10.982 55 HG LEU 5 HG LEU 5 -9.416 -18.988 10.079 56 1HD1 LEU 5 3HD1 LEU 5 -6.572 -18.636 9.142 57 2HD1 LEU 5 2HD1 LEU 5 -7.625 -19.996 8.753 58 3HD1 LEU 5 1HD1 LEU 5 -8.024 -18.377 8.177 59 1HD2 LEU 5 1HD2 LEU 5 -6.852 -19.207 11.649 60 2HD2 LEU 5 3HD2 LEU 5 -8.490 -19.419 12.269 61 3HD2 LEU 5 2HD2 LEU 5 -7.831 -20.570 11.106 62 H SER 6 H SER 6 -7.206 -16.063 12.769 63 HA SER 6 HA SER 6 -7.905 -16.930 15.442 64 1HB SER 6 HB2 SER 6 -5.602 -18.200 13.942 65 2HB SER 6 HB3 SER 6 -5.901 -18.381 15.670 66 HG SER 6 HG SER 6 -7.535 -19.685 15.269 67 H VAL 7 H VAL 7 -5.506 -15.594 13.235 68 HA VAL 7 HA VAL 7 -4.680 -13.749 15.368 69 HB VAL 7 HB VAL 7 -2.348 -13.857 14.601 70 1HG1 VAL 7 2HG1 VAL 7 -3.047 -15.232 16.487 71 2HG1 VAL 7 1HG1 VAL 7 -3.482 -16.539 15.387 72 3HG1 VAL 7 3HG1 VAL 7 -1.797 -16.046 15.547 73 1HG2 VAL 7 3HG2 VAL 7 -3.312 -16.119 12.853 74 2HG2 VAL 7 2HG2 VAL 7 -2.714 -14.553 12.303 75 3HG2 VAL 7 1HG2 VAL 7 -1.625 -15.677 13.115 76 H LYS 8 H LYS 8 -4.304 -11.664 14.744 77 HA LYS 8 HA LYS 8 -4.992 -11.007 11.970 78 1HB LYS 8 HB2 LYS 8 -5.237 -9.559 14.575 79 2HB LYS 8 HB3 LYS 8 -5.155 -8.655 13.077 80 1HG LYS 8 HG2 LYS 8 -7.461 -9.021 13.777 81 2HG LYS 8 HG3 LYS 8 -7.122 -9.821 12.242 82 1HD LYS 8 HD2 LYS 8 -8.378 -11.351 13.561 83 2HD LYS 8 HD3 LYS 8 -6.708 -11.929 13.545 84 1HE LYS 8 HE2 LYS 8 -6.338 -10.913 15.739 85 2HE LYS 8 HE3 LYS 8 -8.003 -10.337 15.756 86 1HZ LYS 8 HZ3 LYS 8 -8.757 -12.634 15.692 87 2HZ LYS 8 HZ2 LYS 8 -7.157 -13.182 15.687 88 3HZ LYS 8 HZ1 LYS 8 -7.765 -12.364 17.037 89 H ASP 9 H ASP 9 -2.445 -11.955 12.623 90 HA ASP 9 HA ASP 9 -0.356 -10.399 13.184 91 1HB ASP 9 HB2 ASP 9 -0.213 -12.711 12.253 92 2HB ASP 9 HB3 ASP 9 -0.465 -12.035 10.647 93 H ASN 10 H ASN 10 0.161 -8.383 12.736 94 HA ASN 10 HA ASN 10 -0.380 -7.339 10.048 95 1HB ASN 10 HB2 ASN 10 -0.436 -5.080 11.422 96 2HB ASN 10 HB3 ASN 10 -1.870 -6.074 11.232 97 1HD2 ASN 10 1HD2 ASN 10 -1.073 -4.129 13.284 98 2HD2 ASN 10 2HD2 ASN 10 -1.178 -4.981 14.777 99 H ASP 11 H ASP 11 1.176 -5.604 12.606 100 HA ASP 11 HA ASP 11 3.275 -4.619 11.193 101 1HB ASP 11 HB2 ASP 11 3.228 -5.330 14.130 102 2HB ASP 11 HB3 ASP 11 4.391 -4.255 13.363 103 H LYS 12 H LYS 12 4.529 -5.820 9.950 104 HA LYS 12 HA LYS 12 5.699 -8.288 10.974 105 1HB LYS 12 HB2 LYS 12 4.709 -8.485 8.799 106 2HB LYS 12 HB3 LYS 12 5.561 -7.061 8.219 107 1HG LYS 12 HG2 LYS 12 6.619 -8.981 7.306 108 2HG LYS 12 HG3 LYS 12 7.687 -8.285 8.525 109 1HD LYS 12 HD2 LYS 12 7.084 -9.967 10.117 110 2HD LYS 12 HD3 LYS 12 5.815 -10.583 9.056 111 1HE LYS 12 HE2 LYS 12 7.434 -11.349 7.463 112 2HE LYS 12 HE3 LYS 12 8.742 -10.575 8.355 113 1HZ LYS 12 HZ2 LYS 12 8.331 -12.088 10.196 114 2HZ LYS 12 HZ1 LYS 12 7.076 -12.828 9.339 115 3HZ LYS 12 HZ3 LYS 12 8.668 -12.949 8.780 116 H TRP 13 H TRP 13 7.270 -7.550 12.369 117 HA TRP 13 HA TRP 13 9.170 -5.539 11.586 118 1HB TRP 13 HB2 TRP 13 9.391 -7.272 14.029 119 2HB TRP 13 HB3 TRP 13 9.897 -5.605 13.804 120 HD1 TRP 13 HD1 TRP 13 6.636 -7.647 14.154 121 HE1 TRP 13 HE1 TRP 13 4.825 -6.121 15.156 122 HE3 TRP 13 HE3 TRP 13 9.270 -3.266 14.345 123 HZ2 TRP 13 HZ2 TRP 13 4.528 -3.417 15.914 124 HZ3 TRP 13 HZ3 TRP 13 8.153 -1.261 15.235 125 HH2 TRP 13 HH2 TRP 13 5.839 -1.338 16.008 126 H VAL 14 H VAL 14 10.603 -6.133 10.048 127 HA VAL 14 HA VAL 14 12.454 -8.291 10.728 128 HB VAL 14 HB VAL 14 12.306 -9.204 8.364 129 1HG1 VAL 14 1HG1 VAL 14 11.495 -10.345 10.425 130 2HG1 VAL 14 3HG1 VAL 14 9.893 -9.687 10.098 131 3HG1 VAL 14 2HG1 VAL 14 10.639 -10.805 8.955 132 1HG2 VAL 14 3HG2 VAL 14 9.642 -7.795 8.458 133 2HG2 VAL 14 2HG2 VAL 14 10.985 -7.426 7.374 134 3HG2 VAL 14 1HG2 VAL 14 10.139 -8.968 7.238 135 H ASP 15 H ASP 15 13.932 -8.536 8.580 136 HA ASP 15 HA ASP 15 15.071 -5.863 8.204 137 1HB ASP 15 HB2 ASP 15 16.137 -8.632 8.321 138 2HB ASP 15 HB3 ASP 15 16.990 -7.487 7.286 139 H THR 16 H THR 16 16.383 -5.784 5.997 140 HA THR 16 HA THR 16 15.378 -7.162 3.752 141 HB THR 16 HB THR 16 13.404 -5.619 4.511 142 HG1 THR 16 HG1 THR 16 12.751 -5.600 2.377 143 1HG2 THR 16 1HG2 THR 16 14.767 -3.566 4.652 144 2HG2 THR 16 3HG2 THR 16 15.063 -3.666 2.918 145 3HG2 THR 16 2HG2 THR 16 13.426 -3.407 3.519 146 H HIS 17 H HIS 17 15.740 -5.620 1.675 147 HA HIS 17 HA HIS 17 18.337 -4.284 2.071 148 1HB HIS 17 HB2 HIS 17 17.465 -5.845 -0.370 149 2HB HIS 17 HB3 HIS 17 19.030 -5.077 -0.123 150 HD1 HIS 17 HD1 HIS 17 20.800 -6.438 0.995 151 HD2 HIS 17 HD2 HIS 17 17.020 -8.114 1.399 152 HE1 HIS 17 HE1 HIS 17 21.175 -8.694 2.040 153 HE2 HIS 17 HE2 HIS 17 18.866 -9.656 2.349 154 H VAL 18 H VAL 18 18.615 -3.239 -0.508 155 HA VAL 18 HA VAL 18 16.685 -1.075 -0.347 156 HB VAL 18 HB VAL 18 19.023 -1.357 -2.235 157 1HG1 VAL 18 1HG1 VAL 18 17.382 1.039 -1.417 158 2HG1 VAL 18 3HG1 VAL 18 18.819 1.085 -2.440 159 3HG1 VAL 18 2HG1 VAL 18 17.368 0.250 -2.994 160 1HG2 VAL 18 2HG2 VAL 18 18.867 0.029 0.439 161 2HG2 VAL 18 1HG2 VAL 18 19.791 -1.429 0.071 162 3HG2 VAL 18 3HG2 VAL 18 20.229 0.106 -0.679 163 H GLY 19 H GLY 19 15.139 -0.590 -1.758 164 1HA GLY 19 HA3 GLY 19 14.971 -1.391 -4.443 165 2HA GLY 19 HA2 GLY 19 13.647 -0.788 -3.470 166 H LYS 20 H LYS 20 14.447 -3.277 -1.660 167 HA LYS 20 HA LYS 20 13.751 -5.566 -3.107 168 1HB LYS 20 HB2 LYS 20 14.558 -5.111 -0.568 169 2HB LYS 20 HB3 LYS 20 12.859 -5.427 -0.288 170 1HG LYS 20 HG2 LYS 20 13.778 -7.517 -0.071 171 2HG LYS 20 HG3 LYS 20 13.264 -7.519 -1.762 172 1HD LYS 20 HD2 LYS 20 15.440 -7.170 -2.541 173 2HD LYS 20 HD3 LYS 20 15.997 -6.632 -0.958 174 1HE LYS 20 HE2 LYS 20 15.729 -8.904 -0.089 175 2HE LYS 20 HE3 LYS 20 15.149 -9.441 -1.665 176 1HZ LYS 20 HZ3 LYS 20 17.296 -8.867 -2.613 177 2HZ LYS 20 HZ2 LYS 20 17.854 -8.354 -1.101 178 3HZ LYS 20 HZ1 LYS 20 17.478 -9.983 -1.353 179 H THR 21 H THR 21 12.046 -4.902 -4.480 180 HA THR 21 HA THR 21 9.634 -3.767 -3.721 181 HB THR 21 HB THR 21 9.788 -5.836 -5.898 182 HG1 THR 21 HG1 THR 21 11.579 -4.525 -6.242 183 1HG2 THR 21 2HG2 THR 21 7.608 -4.807 -5.400 184 2HG2 THR 21 1HG2 THR 21 8.308 -3.211 -5.664 185 3HG2 THR 21 3HG2 THR 21 8.193 -4.357 -7.001 186 H THR 22 H THR 22 8.649 -4.550 -1.934 187 HA THR 22 HA THR 22 8.065 -7.411 -1.774 188 HB THR 22 HB THR 22 7.657 -5.207 0.261 189 HG1 THR 22 HG1 THR 22 9.352 -6.519 1.329 190 1HG2 THR 22 3HG2 THR 22 7.236 -8.189 0.511 191 2HG2 THR 22 2HG2 THR 22 7.181 -7.036 1.845 192 3HG2 THR 22 1HG2 THR 22 5.981 -6.950 0.554 193 H GLU 23 H GLU 23 6.407 -7.867 -3.067 194 HA GLU 23 HA GLU 23 4.105 -6.169 -3.288 195 1HB GLU 23 HB2 GLU 23 5.065 -7.506 -5.171 196 2HB GLU 23 HB3 GLU 23 4.539 -8.963 -4.339 197 1HG GLU 23 HG2 GLU 23 2.256 -8.383 -4.574 198 2HG GLU 23 HG3 GLU 23 2.669 -6.755 -5.118 199 H ILE 24 H ILE 24 2.226 -6.364 -2.243 200 HA ILE 24 HA ILE 24 1.728 -8.807 -0.697 201 HB ILE 24 HB ILE 24 1.290 -6.020 0.341 202 1HG1 ILE 24 2HG1 ILE 24 3.374 -8.077 1.085 203 2HG1 ILE 24 3HG1 ILE 24 3.675 -6.565 0.238 204 1HG2 ILE 24 1HG2 ILE 24 -0.339 -7.651 1.150 205 2HG2 ILE 24 3HG2 ILE 24 0.974 -8.701 1.685 206 3HG2 ILE 24 2HG2 ILE 24 0.737 -7.127 2.446 207 1HD1 ILE 24 2HD1 ILE 24 2.926 -5.331 2.223 208 2HD1 ILE 24 1HD1 ILE 24 2.709 -6.862 3.070 209 3HD1 ILE 24 3HD1 ILE 24 4.318 -6.364 2.546 210 H HIS 25 H HIS 25 0.062 -9.587 -1.864 211 HA HIS 25 HA HIS 25 -2.103 -7.883 -2.723 212 1HB HIS 25 HB2 HIS 25 -2.170 -10.886 -2.750 213 2HB HIS 25 HB3 HIS 25 -2.961 -9.760 -3.837 214 HD1 HIS 25 HD1 HIS 25 -0.209 -12.003 -3.753 215 HD2 HIS 25 HD2 HIS 25 -0.886 -8.269 -5.443 216 HE1 HIS 25 HE1 HIS 25 1.518 -11.763 -5.563 217 HE2 HIS 25 HE2 HIS 25 1.004 -9.552 -6.655 218 H LEU 26 H LEU 26 -3.218 -7.109 -1.019 219 HA LEU 26 HA LEU 26 -3.977 -8.887 1.166 220 1HB LEU 26 HB2 LEU 26 -4.496 -5.942 0.809 221 2HB LEU 26 HB3 LEU 26 -4.771 -6.866 2.271 222 HG LEU 26 HG LEU 26 -2.016 -6.646 1.093 223 1HD1 LEU 26 3HD1 LEU 26 -2.834 -4.364 1.336 224 2HD1 LEU 26 2HD1 LEU 26 -3.315 -4.704 2.999 225 3HD1 LEU 26 1HD1 LEU 26 -1.608 -4.727 2.550 226 1HD2 LEU 26 2HD2 LEU 26 -2.589 -8.306 2.904 227 2HD2 LEU 26 1HD2 LEU 26 -1.283 -7.180 3.281 228 3HD2 LEU 26 3HD2 LEU 26 -2.892 -6.924 3.960 229 H LYS 27 H LYS 27 -6.142 -9.243 1.752 230 HA LYS 27 HA LYS 27 -8.018 -8.874 -0.475 231 1HB LYS 27 HB2 LYS 27 -8.466 -10.696 1.870 232 2HB LYS 27 HB3 LYS 27 -9.212 -10.756 0.282 233 1HG LYS 27 HG2 LYS 27 -6.984 -11.337 -0.674 234 2HG LYS 27 HG3 LYS 27 -6.370 -11.455 0.978 235 1HD LYS 27 HD2 LYS 27 -8.020 -13.195 1.471 236 2HD LYS 27 HD3 LYS 27 -8.631 -13.083 -0.182 237 1HE LYS 27 HE2 LYS 27 -6.438 -13.759 -1.035 238 2HE LYS 27 HE3 LYS 27 -5.835 -13.880 0.618 239 1HZ LYS 27 HZ1 LYS 27 -8.041 -15.499 -0.535 240 2HZ LYS 27 HZ3 LYS 27 -6.462 -16.041 -0.256 241 3HZ LYS 27 HZ2 LYS 27 -7.454 -15.618 1.047 242 H GLY 28 H GLY 28 -10.273 -8.426 0.078 243 1HA GLY 28 HA3 GLY 28 -10.390 -6.196 1.895 244 2HA GLY 28 HA2 GLY 28 -11.312 -7.582 2.443 245 H ASN 29 H ASN 29 -12.487 -5.115 1.899 246 HA ASN 29 HA ASN 29 -13.568 -4.963 -0.716 247 1HB ASN 29 HB2 ASN 29 -14.712 -7.030 0.150 248 2HB ASN 29 HB3 ASN 29 -15.475 -6.024 1.377 249 1HD2 ASN 29 1HD2 ASN 29 -17.518 -6.541 0.574 250 2HD2 ASN 29 2HD2 ASN 29 -18.126 -5.841 -0.883 251 HA PRO 30 HA PRO 30 -14.120 -0.975 1.276 252 1HB PRO 30 HB2 PRO 30 -14.860 0.402 -0.934 253 2HB PRO 30 HB3 PRO 30 -13.184 -0.058 -0.614 254 1HG PRO 30 HG2 PRO 30 -15.203 -1.376 -2.391 255 2HG PRO 30 HG3 PRO 30 -13.493 -1.031 -2.708 256 1HD PRO 30 HD2 PRO 30 -14.373 -3.482 -1.959 257 2HD PRO 30 HD3 PRO 30 -12.772 -2.862 -1.507 258 H THR 31 H THR 31 -16.509 -2.550 -0.770 259 HA THR 31 HA THR 31 -18.664 -0.844 0.113 260 HB THR 31 HB THR 31 -20.114 -2.351 -1.195 261 HG1 THR 31 HG1 THR 31 -19.028 -4.315 -0.925 262 1HG2 THR 31 2HG2 THR 31 -19.001 -0.491 -2.326 263 2HG2 THR 31 1HG2 THR 31 -17.602 -1.515 -2.648 264 3HG2 THR 31 3HG2 THR 31 -19.154 -1.879 -3.403 265 H THR 32 H THR 32 -17.030 -2.768 1.921 266 HA THR 32 HA THR 32 -19.383 -3.810 3.331 267 HB THR 32 HB THR 32 -16.872 -5.354 2.700 268 HG1 THR 32 HG1 THR 32 -19.187 -6.689 2.426 269 1HG2 THR 32 2HG2 THR 32 -19.025 -6.027 4.710 270 2HG2 THR 32 1HG2 THR 32 -17.755 -7.127 4.171 271 3HG2 THR 32 3HG2 THR 32 -17.334 -5.667 5.066 272 H GLY 33 H GLY 33 -15.829 -3.575 3.713 273 1HA GLY 33 HA3 GLY 33 -14.926 -3.529 5.991 274 2HA GLY 33 HA2 GLY 33 -16.332 -2.582 6.448 275 H TYR 34 H TYR 34 -13.134 -2.406 5.859 276 HA TYR 34 HA TYR 34 -13.291 0.457 5.188 277 1HB TYR 34 HB2 TYR 34 -11.193 -1.007 6.807 278 2HB TYR 34 HB3 TYR 34 -11.189 0.714 6.455 279 HD1 TYR 34 HD1 TYR 34 -13.725 -1.713 7.782 280 HD2 TYR 34 HD2 TYR 34 -11.700 1.998 8.300 281 HE1 TYR 34 HE1 TYR 34 -15.020 -1.295 9.828 282 HE2 TYR 34 HE2 TYR 34 -12.994 2.423 10.343 283 HH TYR 34 HH TYR 34 -15.121 1.735 11.355 284 H MET 35 H MET 35 -10.660 0.979 4.680 285 HA MET 35 HA MET 35 -10.151 -0.523 2.221 286 1HB MET 35 HB2 MET 35 -10.447 1.713 1.599 287 2HB MET 35 HB3 MET 35 -9.670 2.319 3.058 288 1HG MET 35 HG2 MET 35 -7.513 1.453 2.203 289 2HG MET 35 HG3 MET 35 -8.333 1.022 0.713 290 1HE MET 35 HE1 MET 35 -10.230 3.157 -0.069 291 2HE MET 35 HE3 MET 35 -9.282 4.413 -0.864 292 3HE MET 35 HE2 MET 35 -8.957 2.715 -1.206 293 H TRP 36 H TRP 36 -8.015 -1.075 1.711 294 HA TRP 36 HA TRP 36 -6.222 -1.201 4.037 295 1HB TRP 36 HB2 TRP 36 -6.916 -3.117 1.927 296 2HB TRP 36 HB3 TRP 36 -5.194 -2.971 2.234 297 HD1 TRP 36 HD1 TRP 36 -7.928 -5.042 3.255 298 HE1 TRP 36 HE1 TRP 36 -7.560 -6.074 5.586 299 HE3 TRP 36 HE3 TRP 36 -4.125 -2.044 4.870 300 HZ2 TRP 36 HZ2 TRP 36 -5.874 -5.664 7.816 301 HZ3 TRP 36 HZ3 TRP 36 -3.187 -2.425 7.106 302 HH2 TRP 36 HH2 TRP 36 -4.048 -4.197 8.551 303 H THR 37 H THR 37 -5.374 0.873 3.667 304 HA THR 37 HA THR 37 -3.506 0.985 1.390 305 HB THR 37 HB THR 37 -5.526 2.401 0.950 306 HG1 THR 37 HG1 THR 37 -4.082 4.411 0.719 307 1HG2 THR 37 2HG2 THR 37 -5.949 3.059 3.281 308 2HG2 THR 37 1HG2 THR 37 -4.465 4.012 3.274 309 3HG2 THR 37 3HG2 THR 37 -5.807 4.460 2.220 310 H ARG 38 H ARG 38 -2.295 3.440 2.002 311 HA ARG 38 HA ARG 38 -0.899 2.720 4.459 312 1HB ARG 38 HB2 ARG 38 -0.224 4.354 2.061 313 2HB ARG 38 HB3 ARG 38 0.534 4.778 3.578 314 1HG ARG 38 HG2 ARG 38 1.546 2.650 3.771 315 2HG ARG 38 HG3 ARG 38 0.642 2.045 2.380 316 1HD ARG 38 HD2 ARG 38 3.078 2.793 2.043 317 2HD ARG 38 HD3 ARG 38 1.890 3.285 0.873 318 HE ARG 38 HE ARG 38 1.952 5.483 1.849 319 1HH1 ARG 38 1HH1 ARG 38 4.408 3.271 2.952 320 2HH1 ARG 38 2HH1 ARG 38 5.525 4.521 3.386 321 1HH2 ARG 38 1HH2 ARG 38 3.434 7.139 2.400 322 2HH2 ARG 38 2HH2 ARG 38 4.972 6.716 3.073 323 H VAL 39 H VAL 39 -1.308 3.693 6.312 324 HA VAL 39 HA VAL 39 -3.261 5.604 6.715 325 HB VAL 39 HB VAL 39 -2.540 4.311 8.575 326 1HG1 VAL 39 3HG1 VAL 39 -0.229 3.969 7.776 327 2HG1 VAL 39 2HG1 VAL 39 0.173 5.594 8.330 328 3HG1 VAL 39 1HG1 VAL 39 -0.314 4.362 9.494 329 1HG2 VAL 39 1HG2 VAL 39 -3.312 6.567 9.125 330 2HG2 VAL 39 3HG2 VAL 39 -2.110 5.994 10.281 331 3HG2 VAL 39 2HG2 VAL 39 -1.653 7.157 9.036 332 H GLY 40 H GLY 40 -3.330 7.806 6.841 333 1HA GLY 40 HA3 GLY 40 -0.908 9.389 6.741 334 2HA GLY 40 HA2 GLY 40 -2.555 10.001 6.802 335 H PHE 41 H PHE 41 -2.393 7.679 4.465 336 HA PHE 41 HA PHE 41 -2.080 9.689 2.340 337 1HB PHE 41 HB2 PHE 41 -1.105 6.831 2.180 338 2HB PHE 41 HB3 PHE 41 -0.877 8.094 0.976 339 HD1 PHE 41 HD1 PHE 41 0.443 6.499 3.849 340 HD2 PHE 41 HD2 PHE 41 0.478 10.150 1.677 341 HE1 PHE 41 HE1 PHE 41 2.532 7.145 4.983 342 HE2 PHE 41 HE2 PHE 41 2.571 10.804 2.793 343 HZ PHE 41 HZ PHE 41 3.599 9.301 4.452 344 H VAL 42 H VAL 42 -4.096 7.752 3.892 345 HA VAL 42 HA VAL 42 -5.452 6.175 2.086 346 HB VAL 42 HB VAL 42 -6.804 7.833 4.214 347 1HG1 VAL 42 3HG1 VAL 42 -8.244 6.574 2.631 348 2HG1 VAL 42 2HG1 VAL 42 -7.460 5.088 3.165 349 3HG1 VAL 42 1HG1 VAL 42 -8.401 6.048 4.307 350 1HG2 VAL 42 1HG2 VAL 42 -4.700 6.624 4.961 351 2HG2 VAL 42 3HG2 VAL 42 -6.182 6.269 5.845 352 3HG2 VAL 42 2HG2 VAL 42 -5.579 5.129 4.644 353 H GLY 43 H GLY 43 -6.392 6.610 0.219 354 1HA GLY 43 HA3 GLY 43 -7.689 9.240 -0.132 355 2HA GLY 43 HA2 GLY 43 -8.202 7.763 -0.937 356 H LYS 44 H LYS 44 -4.828 8.407 -0.626 357 HA LYS 44 HA LYS 44 -4.501 9.791 -3.097 358 1HB LYS 44 HB2 LYS 44 -2.500 8.351 -1.346 359 2HB LYS 44 HB3 LYS 44 -2.092 9.397 -2.696 360 1HG LYS 44 HG2 LYS 44 -3.211 11.271 -1.533 361 2HG LYS 44 HG3 LYS 44 -3.478 10.204 -0.151 362 1HD LYS 44 HD2 LYS 44 -1.110 9.941 0.173 363 2HD LYS 44 HD3 LYS 44 -0.767 10.839 -1.307 364 1HE LYS 44 HE2 LYS 44 -0.428 12.229 0.672 365 2HE LYS 44 HE3 LYS 44 -1.740 12.847 -0.332 366 1HZ LYS 44 HZ3 LYS 44 -3.320 11.774 1.175 367 2HZ LYS 44 HZ2 LYS 44 -2.043 11.255 2.156 368 3HZ LYS 44 HZ1 LYS 44 -2.357 12.907 1.982 369 H ASP 45 H ASP 45 -2.247 8.379 -4.139 370 HA ASP 45 HA ASP 45 -3.558 5.961 -5.194 371 1HB ASP 45 HB2 ASP 45 -3.463 7.836 -6.829 372 2HB ASP 45 HB3 ASP 45 -1.708 7.813 -6.704 373 H VAL 46 H VAL 46 -0.370 7.511 -4.934 374 HA VAL 46 HA VAL 46 0.968 4.947 -5.023 375 HB VAL 46 HB VAL 46 2.221 7.631 -4.470 376 1HG1 VAL 46 1HG1 VAL 46 3.566 5.612 -3.985 377 2HG1 VAL 46 3HG1 VAL 46 3.378 5.116 -5.666 378 3HG1 VAL 46 2HG1 VAL 46 4.245 6.601 -5.276 379 1HG2 VAL 46 2HG2 VAL 46 0.914 7.726 -6.536 380 2HG2 VAL 46 1HG2 VAL 46 2.648 7.800 -6.855 381 3HG2 VAL 46 3HG2 VAL 46 1.764 6.300 -7.134 382 H LEU 47 H LEU 47 0.360 7.478 -2.645 383 HA LEU 47 HA LEU 47 0.329 7.425 -0.374 384 1HB LEU 47 HB2 LEU 47 1.290 4.601 -0.341 385 2HB LEU 47 HB3 LEU 47 0.280 5.437 0.814 386 HG LEU 47 HG LEU 47 -0.631 4.678 -1.957 387 1HD1 LEU 47 1HD1 LEU 47 -1.048 3.257 0.666 388 2HD1 LEU 47 3HD1 LEU 47 -1.907 2.891 -0.830 389 3HD1 LEU 47 2HD1 LEU 47 -0.161 2.658 -0.736 390 1HD2 LEU 47 3HD2 LEU 47 -2.132 5.634 0.476 391 2HD2 LEU 47 2HD2 LEU 47 -1.852 6.546 -1.007 392 3HD2 LEU 47 1HD2 LEU 47 -2.867 5.103 -1.036 393 H SER 48 H SER 48 3.009 5.692 -1.866 394 HA SER 48 HA SER 48 5.017 5.947 -0.037 395 1HB SER 48 HB2 SER 48 5.244 4.777 -2.185 396 2HB SER 48 HB3 SER 48 5.244 6.323 -3.030 397 HG SER 48 HG SER 48 7.337 6.028 -2.788 398 H ASP 49 H ASP 49 7.077 7.404 -0.560 399 HA ASP 49 HA ASP 49 6.397 10.160 -1.135 400 1HB ASP 49 HB2 ASP 49 7.283 9.280 1.613 401 2HB ASP 49 HB3 ASP 49 7.381 10.946 1.051 402 H GLU 50 H GLU 50 9.037 9.155 0.932 403 HA GLU 50 HA GLU 50 10.914 9.381 -1.309 404 1HB GLU 50 HB2 GLU 50 12.343 10.847 -0.038 405 2HB GLU 50 HB3 GLU 50 10.725 11.539 -0.101 406 1HG GLU 50 HG2 GLU 50 10.271 10.761 2.145 407 2HG GLU 50 HG3 GLU 50 11.862 10.006 2.224 408 H ILE 51 H ILE 51 10.180 8.196 1.895 409 HA ILE 51 HA ILE 51 12.659 6.850 2.328 410 HB ILE 51 HB ILE 51 10.007 6.220 3.613 411 1HG1 ILE 51 2HG1 ILE 51 10.533 8.652 3.700 412 2HG1 ILE 51 3HG1 ILE 51 10.498 7.884 5.281 413 1HG2 ILE 51 3HG2 ILE 51 12.854 5.856 4.535 414 2HG2 ILE 51 2HG2 ILE 51 11.421 5.540 5.516 415 3HG2 ILE 51 1HG2 ILE 51 11.724 4.585 4.064 416 1HD1 ILE 51 3HD1 ILE 51 12.991 8.506 3.716 417 2HD1 ILE 51 2HD1 ILE 51 12.346 9.479 5.038 418 3HD1 ILE 51 1HD1 ILE 51 12.914 7.838 5.347 419 H LEU 52 H LEU 52 9.453 5.361 2.131 420 HA LEU 52 HA LEU 52 10.663 3.090 0.711 421 1HB LEU 52 HB2 LEU 52 8.377 3.400 2.581 422 2HB LEU 52 HB3 LEU 52 8.243 2.162 1.348 423 HG LEU 52 HG LEU 52 10.572 2.340 3.244 424 1HD1 LEU 52 1HD1 LEU 52 8.049 0.711 3.495 425 2HD1 LEU 52 3HD1 LEU 52 9.483 0.541 4.509 426 3HD1 LEU 52 2HD1 LEU 52 8.549 2.036 4.547 427 1HD2 LEU 52 1HD2 LEU 52 10.853 1.092 1.108 428 2HD2 LEU 52 3HD2 LEU 52 11.032 0.098 2.553 429 3HD2 LEU 52 2HD2 LEU 52 9.541 0.029 1.614 430 H GLU 53 H GLU 53 10.422 3.143 -1.443 431 HA GLU 53 HA GLU 53 8.445 4.647 -2.792 432 1HB GLU 53 HB2 GLU 53 10.645 2.875 -3.496 433 2HB GLU 53 HB3 GLU 53 9.266 2.665 -4.565 434 1HG GLU 53 HG2 GLU 53 9.998 5.443 -4.019 435 2HG GLU 53 HG3 GLU 53 11.212 4.505 -4.887 436 H VAL 54 H VAL 54 6.637 3.813 -1.451 437 HA VAL 54 HA VAL 54 5.749 1.126 -1.838 438 HB VAL 54 HB VAL 54 4.070 3.394 -0.804 439 1HG1 VAL 54 2HG1 VAL 54 4.034 0.413 -0.377 440 2HG1 VAL 54 1HG1 VAL 54 2.995 1.562 0.462 441 3HG1 VAL 54 3HG1 VAL 54 2.862 1.368 -1.284 442 1HG2 VAL 54 2HG2 VAL 54 6.243 1.849 0.555 443 2HG2 VAL 54 1HG2 VAL 54 5.928 3.582 0.576 444 3HG2 VAL 54 3HG2 VAL 54 4.877 2.484 1.470 445 H VAL 55 H VAL 55 5.626 0.998 -4.142 446 HA VAL 55 HA VAL 55 3.684 2.616 -5.519 447 HB VAL 55 HB VAL 55 4.951 0.068 -6.502 448 1HG1 VAL 55 1HG1 VAL 55 2.920 1.078 -7.651 449 2HG1 VAL 55 3HG1 VAL 55 3.982 2.409 -8.115 450 3HG1 VAL 55 2HG1 VAL 55 4.333 0.768 -8.662 451 1HG2 VAL 55 1HG2 VAL 55 5.971 2.898 -6.753 452 2HG2 VAL 55 3HG2 VAL 55 6.718 1.596 -5.828 453 3HG2 VAL 55 2HG2 VAL 55 6.641 1.496 -7.587 454 H CYS 56 H CYS 56 1.894 2.195 -4.209 455 HA CYS 56 HA CYS 56 0.825 -0.518 -4.167 456 1HB CYS 56 HB2 CYS 56 0.788 0.615 -2.043 457 2HB CYS 56 HB3 CYS 56 -0.027 2.008 -2.747 458 HG CYS 56 HG CYS 56 -2.019 0.893 -1.336 459 H LYS 57 H LYS 57 -1.174 -1.071 -4.968 460 HA LYS 57 HA LYS 57 -2.595 0.916 -6.574 461 1HB LYS 57 HB2 LYS 57 -2.049 -1.837 -7.646 462 2HB LYS 57 HB3 LYS 57 -2.682 -0.445 -8.506 463 1HG LYS 57 HG2 LYS 57 -0.521 0.667 -8.328 464 2HG LYS 57 HG3 LYS 57 0.123 -0.720 -7.447 465 1HD LYS 57 HD2 LYS 57 -0.317 -2.149 -9.397 466 2HD LYS 57 HD3 LYS 57 -0.922 -0.744 -10.277 467 1HE LYS 57 HE2 LYS 57 1.381 -1.234 -10.898 468 2HE LYS 57 HE3 LYS 57 1.265 0.326 -10.084 469 1HZ LYS 57 HZ1 LYS 57 2.136 -2.220 -8.824 470 2HZ LYS 57 HZ3 LYS 57 3.152 -0.947 -9.286 471 3HZ LYS 57 HZ2 LYS 57 2.026 -0.724 -8.045 472 H TYR 58 H TYR 58 -4.547 0.954 -5.777 473 HA TYR 58 HA TYR 58 -5.706 -1.359 -4.475 474 1HB TYR 58 HB2 TYR 58 -5.934 0.991 -3.573 475 2HB TYR 58 HB3 TYR 58 -6.960 1.357 -4.957 476 HD1 TYR 58 HD1 TYR 58 -7.339 1.200 -1.743 477 HD2 TYR 58 HD2 TYR 58 -8.614 -1.124 -5.087 478 HE1 TYR 58 HE1 TYR 58 -9.323 0.452 -0.490 479 HE2 TYR 58 HE2 TYR 58 -10.570 -1.890 -3.833 480 HH TYR 58 HH TYR 58 -11.567 -0.429 -0.930 481 H THR 59 H THR 59 -6.413 -2.883 -5.840 482 HA THR 59 HA THR 59 -7.827 -2.071 -8.280 483 HB THR 59 HB THR 59 -6.818 -4.819 -7.519 484 HG1 THR 59 HG1 THR 59 -5.045 -4.345 -8.768 485 1HG2 THR 59 1HG2 THR 59 -7.796 -3.705 -10.153 486 2HG2 THR 59 3HG2 THR 59 -7.127 -5.318 -9.905 487 3HG2 THR 59 2HG2 THR 59 -8.648 -4.866 -9.135 488 HA PRO 60 HA PRO 60 -11.483 -3.621 -6.149 489 1HB PRO 60 HB2 PRO 60 -13.150 -1.740 -7.005 490 2HB PRO 60 HB3 PRO 60 -11.889 -1.341 -5.836 491 1HG PRO 60 HG2 PRO 60 -12.063 -0.704 -8.727 492 2HG PRO 60 HG3 PRO 60 -11.242 0.180 -7.430 493 1HD PRO 60 HD2 PRO 60 -10.115 -1.678 -9.296 494 2HD PRO 60 HD3 PRO 60 -9.294 -0.804 -7.987 495 H THR 61 H THR 61 -11.794 -5.556 -7.309 496 HA THR 61 HA THR 61 -13.236 -5.267 -9.864 497 HB THR 61 HB THR 61 -11.820 -7.812 -9.230 498 HG1 THR 61 HG1 THR 61 -10.074 -6.554 -8.962 499 1HG2 THR 61 3HG2 THR 61 -12.281 -6.263 -11.780 500 2HG2 THR 61 2HG2 THR 61 -11.524 -7.852 -11.664 501 3HG2 THR 61 1HG2 THR 61 -13.219 -7.650 -11.225 502 HA PRO 62 HA PRO 62 -16.611 -7.266 -7.768 503 1HB PRO 62 HB2 PRO 62 -18.064 -7.951 -9.960 504 2HB PRO 62 HB3 PRO 62 -17.978 -6.297 -9.343 505 1HG PRO 62 HG2 PRO 62 -16.446 -7.561 -11.590 506 2HG PRO 62 HG3 PRO 62 -17.244 -5.978 -11.537 507 1HD PRO 62 HD2 PRO 62 -14.588 -6.257 -11.186 508 2HD PRO 62 HD3 PRO 62 -15.525 -5.021 -10.321 509 H SER 63 H SER 63 -17.661 -9.354 -7.628 510 HA SER 63 HA SER 63 -15.829 -11.522 -8.126 511 1HB SER 63 HB2 SER 63 -18.591 -11.534 -6.879 512 2HB SER 63 HB3 SER 63 -17.455 -12.884 -6.871 513 HG SER 63 HG SER 63 -17.349 -11.692 -4.932 514 H SER 64 H SER 64 -17.562 -13.659 -8.562 515 HA SER 64 HA SER 64 -18.316 -13.166 -11.354 516 1HB SER 64 HB2 SER 64 -17.739 -15.771 -9.924 517 2HB SER 64 HB3 SER 64 -18.150 -15.616 -11.632 518 HG SER 64 HG SER 64 -15.771 -15.533 -10.626 519 H THR 65 H THR 65 -19.786 -13.242 -8.432 520 HA THR 65 HA THR 65 -22.169 -14.665 -9.371 521 HB THR 65 HB THR 65 -22.984 -14.422 -7.036 522 HG1 THR 65 HG1 THR 65 -20.516 -13.826 -6.002 523 1HG2 THR 65 2HG2 THR 65 -20.265 -15.708 -7.322 524 2HG2 THR 65 1HG2 THR 65 -21.434 -16.054 -6.048 525 3HG2 THR 65 3HG2 THR 65 -21.812 -16.453 -7.724 526 HA PRO 66 HA PRO 66 -24.398 -10.895 -10.017 527 1HB PRO 66 HB2 PRO 66 -26.925 -11.736 -9.789 528 2HB PRO 66 HB3 PRO 66 -25.886 -12.324 -11.095 529 1HG PRO 66 HG2 PRO 66 -26.540 -13.630 -8.468 530 2HG PRO 66 HG3 PRO 66 -26.576 -14.337 -10.095 531 1HD PRO 66 HD2 PRO 66 -24.488 -14.659 -8.389 532 2HD PRO 66 HD3 PRO 66 -24.286 -14.607 -10.152 533 H MET 67 H MET 67 -23.460 -11.392 -7.251 534 HA MET 67 HA MET 67 -25.378 -9.653 -5.897 535 1HB MET 67 HB2 MET 67 -24.333 -12.230 -4.709 536 2HB MET 67 HB3 MET 67 -25.250 -11.015 -3.830 537 1HG MET 67 HG2 MET 67 -27.161 -11.389 -5.296 538 2HG MET 67 HG3 MET 67 -26.241 -12.594 -6.194 539 1HE MET 67 HE1 MET 67 -28.171 -14.366 -5.859 540 2HE MET 67 HE3 MET 67 -28.854 -14.791 -4.290 541 3HE MET 67 HE2 MET 67 -29.121 -13.182 -4.961 542 H VAL 68 H VAL 68 -22.820 -9.155 -7.061 543 HA VAL 68 HA VAL 68 -21.323 -8.387 -4.645 544 HB VAL 68 HB VAL 68 -20.218 -10.291 -5.781 545 1HG1 VAL 68 3HG1 VAL 68 -20.966 -9.733 -8.068 546 2HG1 VAL 68 2HG1 VAL 68 -19.844 -8.373 -8.078 547 3HG1 VAL 68 1HG1 VAL 68 -19.229 -10.022 -7.967 548 1HG2 VAL 68 2HG2 VAL 68 -18.723 -7.672 -5.916 549 2HG2 VAL 68 1HG2 VAL 68 -18.880 -8.716 -4.503 550 3HG2 VAL 68 3HG2 VAL 68 -17.983 -9.273 -5.915 551 H GLY 69 H GLY 69 -20.160 -6.431 -4.771 552 1HA GLY 69 HA3 GLY 69 -20.424 -4.134 -5.267 553 2HA GLY 69 HA2 GLY 69 -21.231 -4.574 -6.765 554 H VAL 70 H VAL 70 -18.201 -3.944 -5.218 555 HA VAL 70 HA VAL 70 -16.593 -4.743 -7.464 556 HB VAL 70 HB VAL 70 -17.479 -2.689 -8.358 557 1HG1 VAL 70 2HG1 VAL 70 -18.081 -1.647 -6.196 558 2HG1 VAL 70 1HG1 VAL 70 -16.378 -1.261 -5.947 559 3HG1 VAL 70 3HG1 VAL 70 -17.254 -0.547 -7.300 560 1HG2 VAL 70 3HG2 VAL 70 -14.622 -2.424 -7.442 561 2HG2 VAL 70 2HG2 VAL 70 -15.198 -3.156 -8.938 562 3HG2 VAL 70 1HG2 VAL 70 -15.366 -1.419 -8.685 563 H GLY 71 H GLY 71 -15.490 -5.924 -5.864 564 1HA GLY 71 HA3 GLY 71 -14.534 -5.541 -3.490 565 2HA GLY 71 HA2 GLY 71 -13.622 -4.280 -4.302 566 H GLY 72 H GLY 72 -11.662 -4.817 -4.975 567 1HA GLY 72 HA3 GLY 72 -10.206 -6.231 -6.270 568 2HA GLY 72 HA2 GLY 72 -11.131 -7.616 -5.724 569 H ILE 73 H ILE 73 -8.330 -5.908 -5.311 570 HA ILE 73 HA ILE 73 -7.989 -6.680 -2.516 571 HB ILE 73 HB ILE 73 -5.755 -7.622 -3.011 572 1HG1 ILE 73 2HG1 ILE 73 -6.551 -8.044 -5.848 573 2HG1 ILE 73 3HG1 ILE 73 -5.808 -6.513 -5.385 574 1HG2 ILE 73 1HG2 ILE 73 -7.750 -9.028 -2.622 575 2HG2 ILE 73 3HG2 ILE 73 -7.939 -9.157 -4.372 576 3HG2 ILE 73 2HG2 ILE 73 -6.492 -9.799 -3.589 577 1HD1 ILE 73 2HD1 ILE 73 -3.908 -7.767 -4.437 578 2HD1 ILE 73 1HD1 ILE 73 -4.639 -9.261 -5.023 579 3HD1 ILE 73 3HD1 ILE 73 -4.116 -8.027 -6.172 580 H TYR 74 H TYR 74 -5.337 -6.179 -2.232 581 HA TYR 74 HA TYR 74 -4.911 -3.441 -3.192 582 1HB TYR 74 HB2 TYR 74 -4.209 -4.136 -0.366 583 2HB TYR 74 HB3 TYR 74 -4.595 -2.568 -1.065 584 HD1 TYR 74 HD1 TYR 74 -6.102 -5.783 0.031 585 HD2 TYR 74 HD2 TYR 74 -6.790 -1.706 -0.962 586 HE1 TYR 74 HE1 TYR 74 -8.387 -5.967 0.894 587 HE2 TYR 74 HE2 TYR 74 -9.085 -1.889 -0.092 588 HH TYR 74 HH TYR 74 -10.767 -3.629 0.317 589 H VAL 75 H VAL 75 -3.225 -4.026 -4.552 590 HA VAL 75 HA VAL 75 -1.098 -5.705 -3.523 591 HB VAL 75 HB VAL 75 -1.837 -6.095 -5.823 592 1HG1 VAL 75 1HG1 VAL 75 -2.448 -3.760 -6.357 593 2HG1 VAL 75 3HG1 VAL 75 -0.731 -3.367 -6.458 594 3HG1 VAL 75 2HG1 VAL 75 -1.441 -4.515 -7.592 595 1HG2 VAL 75 1HG2 VAL 75 0.448 -6.653 -5.214 596 2HG2 VAL 75 3HG2 VAL 75 0.368 -6.110 -6.890 597 3HG2 VAL 75 2HG2 VAL 75 0.975 -5.025 -5.639 598 H VAL 76 H VAL 76 0.388 -4.827 -2.325 599 HA VAL 76 HA VAL 76 1.188 -2.039 -2.824 600 HB VAL 76 HB VAL 76 1.608 -3.671 -0.321 601 1HG1 VAL 76 1HG1 VAL 76 1.981 -0.741 -0.921 602 2HG1 VAL 76 3HG1 VAL 76 2.046 -1.448 0.692 603 3HG1 VAL 76 2HG1 VAL 76 3.235 -1.915 -0.524 604 1HG2 VAL 76 1HG2 VAL 76 -0.772 -3.307 -0.747 605 2HG2 VAL 76 3HG2 VAL 76 -0.221 -2.376 0.645 606 3HG2 VAL 76 2HG2 VAL 76 -0.483 -1.575 -0.902 607 H LEU 77 H LEU 77 3.114 -1.678 -3.711 608 HA LEU 77 HA LEU 77 5.202 -3.740 -3.475 609 1HB LEU 77 HB2 LEU 77 4.804 -1.555 -5.518 610 2HB LEU 77 HB3 LEU 77 6.261 -2.528 -5.418 611 HG LEU 77 HG LEU 77 3.473 -3.563 -5.988 612 1HD1 LEU 77 1HD1 LEU 77 5.870 -3.244 -7.788 613 2HD1 LEU 77 3HD1 LEU 77 4.342 -4.006 -8.229 614 3HD1 LEU 77 2HD1 LEU 77 4.391 -2.285 -7.845 615 1HD2 LEU 77 1HD2 LEU 77 5.187 -5.038 -4.726 616 2HD2 LEU 77 3HD2 LEU 77 4.339 -5.701 -6.125 617 3HD2 LEU 77 2HD2 LEU 77 5.998 -5.130 -6.291 618 H VAL 78 H VAL 78 6.298 -3.209 -1.650 619 HA VAL 78 HA VAL 78 6.981 -0.402 -1.209 620 HB VAL 78 HB VAL 78 8.048 -2.139 0.808 621 1HG1 VAL 78 3HG1 VAL 78 7.545 0.237 1.102 622 2HG1 VAL 78 2HG1 VAL 78 5.824 -0.083 0.855 623 3HG1 VAL 78 1HG1 VAL 78 6.655 -0.738 2.269 624 1HG2 VAL 78 3HG2 VAL 78 6.336 -3.721 0.110 625 2HG2 VAL 78 2HG2 VAL 78 5.962 -3.049 1.696 626 3HG2 VAL 78 1HG2 VAL 78 5.103 -2.470 0.269 627 H LYS 79 H LYS 79 8.704 0.236 -2.307 628 HA LYS 79 HA LYS 79 11.044 -1.536 -2.445 629 1HB LYS 79 HB2 LYS 79 9.934 0.542 -4.266 630 2HB LYS 79 HB3 LYS 79 11.678 0.319 -4.239 631 1HG LYS 79 HG2 LYS 79 11.348 -2.076 -4.729 632 2HG LYS 79 HG3 LYS 79 9.602 -1.780 -4.864 633 1HD LYS 79 HD2 LYS 79 11.724 -0.430 -6.540 634 2HD LYS 79 HD3 LYS 79 10.767 -1.821 -7.055 635 1HE LYS 79 HE2 LYS 79 8.718 -0.504 -6.785 636 2HE LYS 79 HE3 LYS 79 9.681 0.887 -6.291 637 1HZ LYS 79 HZ1 LYS 79 9.820 -0.454 -8.937 638 2HZ LYS 79 HZ3 LYS 79 9.059 1.024 -8.619 639 3HZ LYS 79 HZ2 LYS 79 10.738 0.885 -8.461 640 HA PRO 80 HA PRO 80 12.586 1.266 0.799 641 1HB PRO 80 HB2 PRO 80 14.969 -0.428 0.213 642 2HB PRO 80 HB3 PRO 80 14.267 0.030 1.769 643 1HG PRO 80 HG2 PRO 80 13.898 -2.412 0.771 644 2HG PRO 80 HG3 PRO 80 12.610 -1.574 1.648 645 1HD PRO 80 HD2 PRO 80 12.907 -2.062 -1.272 646 2HD PRO 80 HD3 PRO 80 11.437 -1.958 -0.284 647 H ARG 81 H ARG 81 12.712 3.184 -0.353 648 HA ARG 81 HA ARG 81 14.485 3.653 -2.503 649 1HB ARG 81 HB2 ARG 81 12.503 5.106 -1.041 650 2HB ARG 81 HB3 ARG 81 13.948 6.097 -1.170 651 1HG ARG 81 HG2 ARG 81 13.916 5.883 -3.575 652 2HG ARG 81 HG3 ARG 81 12.537 4.784 -3.479 653 1HD ARG 81 HD2 ARG 81 11.170 6.548 -2.520 654 2HD ARG 81 HD3 ARG 81 12.547 7.651 -2.542 655 HE ARG 81 HE ARG 81 11.860 6.560 -5.120 656 1HH1 ARG 81 1HH1 ARG 81 11.300 9.129 -2.833 657 2HH1 ARG 81 2HH1 ARG 81 10.728 10.243 -4.029 658 1HH2 ARG 81 1HH2 ARG 81 11.109 8.021 -6.701 659 2HH2 ARG 81 2HH2 ARG 81 10.619 9.613 -6.227 660 H LYS 82 H LYS 82 14.742 4.092 0.979 661 HA LYS 82 HA LYS 82 17.574 4.825 0.619 662 1HB LYS 82 HB2 LYS 82 15.830 5.632 2.948 663 2HB LYS 82 HB3 LYS 82 17.460 6.186 2.597 664 1HG LYS 82 HG2 LYS 82 16.618 7.285 0.557 665 2HG LYS 82 HG3 LYS 82 14.982 6.782 0.994 666 1HD LYS 82 HD2 LYS 82 15.155 8.052 3.083 667 2HD LYS 82 HD3 LYS 82 16.781 8.568 2.629 668 1HE LYS 82 HE2 LYS 82 14.249 9.169 1.104 669 2HE LYS 82 HE3 LYS 82 15.115 10.298 2.148 670 1HZ LYS 82 HZ2 LYS 82 17.025 10.135 0.675 671 2HZ LYS 82 HZ1 LYS 82 16.193 9.054 -0.325 672 3HZ LYS 82 HZ3 LYS 82 15.658 10.653 -0.176 673 H ARG 83 H ARG 83 18.685 4.482 2.945 674 HA ARG 83 HA ARG 83 18.057 1.711 3.728 675 1HB ARG 83 HB2 ARG 83 20.734 3.113 3.805 676 2HB ARG 83 HB3 ARG 83 20.429 1.436 4.230 677 1HG ARG 83 HG2 ARG 83 19.938 0.862 1.984 678 2HG ARG 83 HG3 ARG 83 19.894 2.558 1.495 679 1HD ARG 83 HD2 ARG 83 22.276 2.767 1.998 680 2HD ARG 83 HD3 ARG 83 22.322 1.074 2.490 681 HE ARG 83 HE ARG 83 21.324 1.255 -0.134 682 1HH1 ARG 83 1HH1 ARG 83 24.286 1.659 1.657 683 2HH1 ARG 83 2HH1 ARG 83 25.304 1.253 0.316 684 1HH2 ARG 83 1HH2 ARG 83 22.656 0.718 -1.905 685 2HH2 ARG 83 2HH2 ARG 83 24.378 0.719 -1.709 686 H GLY 84 H GLY 84 17.435 1.402 5.772 687 1HA GLY 84 HA3 GLY 84 17.590 3.631 7.640 688 2HA GLY 84 HA2 GLY 84 18.468 2.181 8.104 689 H HIS 85 H HIS 85 16.045 3.600 9.216 690 HA HIS 85 HA HIS 85 14.508 1.184 9.688 691 1HB HIS 85 HB2 HIS 85 14.216 3.941 10.894 692 2HB HIS 85 HB3 HIS 85 13.379 2.489 11.430 693 HD1 HIS 85 HD1 HIS 85 16.513 4.357 11.825 694 HD2 HIS 85 HD2 HIS 85 15.113 0.535 12.658 695 HE1 HIS 85 HE1 HIS 85 18.169 3.372 13.441 696 HE2 HIS 85 HE2 HIS 85 17.343 1.031 13.869 697 H HIS 86 H HIS 86 13.372 0.849 7.802 698 HA HIS 86 HA HIS 86 11.402 2.913 7.070 699 1HB HIS 86 HB2 HIS 86 12.475 0.628 5.398 700 2HB HIS 86 HB3 HIS 86 11.289 1.818 4.870 701 HD1 HIS 86 HD1 HIS 86 13.903 3.387 6.844 702 HD2 HIS 86 HD2 HIS 86 13.359 2.326 2.866 703 HE1 HIS 86 HE1 HIS 86 15.615 4.702 5.560 704 HE2 HIS 86 HE2 HIS 86 15.189 4.129 3.145 705 H THR 87 H THR 87 9.241 2.201 6.541 706 HA THR 87 HA THR 87 8.474 -0.509 7.156 707 HB THR 87 HB THR 87 7.488 1.716 8.947 708 HG1 THR 87 HG1 THR 87 9.266 -0.464 9.385 709 1HG2 THR 87 2HG2 THR 87 5.782 0.020 8.444 710 2HG2 THR 87 1HG2 THR 87 6.891 -1.245 8.973 711 3HG2 THR 87 3HG2 THR 87 6.298 -0.054 10.131 712 H LEU 88 H LEU 88 6.433 -1.044 6.450 713 HA LEU 88 HA LEU 88 5.165 0.919 4.694 714 1HB LEU 88 HB2 LEU 88 5.677 -1.155 3.625 715 2HB LEU 88 HB3 LEU 88 4.948 -2.073 4.922 716 HG LEU 88 HG LEU 88 2.731 -1.089 4.266 717 1HD1 LEU 88 3HD1 LEU 88 3.642 0.867 3.073 718 2HD1 LEU 88 2HD1 LEU 88 4.238 -0.211 1.812 719 3HD1 LEU 88 1HD1 LEU 88 2.505 -0.064 2.097 720 1HD2 LEU 88 2HD2 LEU 88 4.243 -2.755 2.267 721 2HD2 LEU 88 1HD2 LEU 88 3.271 -3.331 3.620 722 3HD2 LEU 88 3HD2 LEU 88 2.496 -2.529 2.254 723 H GLU 89 H GLU 89 4.003 2.150 6.141 724 HA GLU 89 HA GLU 89 2.347 1.026 8.155 725 1HB GLU 89 HB2 GLU 89 2.470 3.789 6.958 726 2HB GLU 89 HB3 GLU 89 1.462 3.353 8.330 727 1HG GLU 89 HG2 GLU 89 3.389 2.773 9.623 728 2HG GLU 89 HG3 GLU 89 4.451 3.079 8.250 729 H LEU 90 H LEU 90 0.890 -0.406 7.284 730 HA LEU 90 HA LEU 90 -1.108 0.749 5.454 731 1HB LEU 90 HB2 LEU 90 -0.233 -2.101 5.864 732 2HB LEU 90 HB3 LEU 90 -1.734 -1.698 5.061 733 HG LEU 90 HG LEU 90 1.037 -0.938 4.142 734 1HD1 LEU 90 3HD1 LEU 90 -0.999 -2.867 3.043 735 2HD1 LEU 90 2HD1 LEU 90 0.509 -2.419 2.248 736 3HD1 LEU 90 1HD1 LEU 90 0.547 -3.278 3.786 737 1HD2 LEU 90 3HD2 LEU 90 -1.658 -0.338 2.931 738 2HD2 LEU 90 2HD2 LEU 90 -0.508 0.832 3.580 739 3HD2 LEU 90 1HD2 LEU 90 -0.107 -0.086 2.128 740 H VAL 91 H VAL 91 -3.093 1.058 6.189 741 HA VAL 91 HA VAL 91 -3.915 -0.347 8.645 742 HB VAL 91 HB VAL 91 -3.270 1.970 9.162 743 1HG1 VAL 91 2HG1 VAL 91 -5.400 2.680 7.149 744 2HG1 VAL 91 1HG1 VAL 91 -4.677 3.824 8.283 745 3HG1 VAL 91 3HG1 VAL 91 -3.674 3.043 7.061 746 1HG2 VAL 91 1HG2 VAL 91 -6.238 1.462 9.354 747 2HG2 VAL 91 3HG2 VAL 91 -5.007 0.931 10.500 748 3HG2 VAL 91 2HG2 VAL 91 -5.339 2.651 10.298 749 H TYR 92 H TYR 92 -6.216 -0.500 8.957 750 HA TYR 92 HA TYR 92 -7.688 -0.732 6.435 751 1HB TYR 92 HB2 TYR 92 -7.415 -2.634 8.193 752 2HB TYR 92 HB3 TYR 92 -8.638 -1.753 9.100 753 HD1 TYR 92 HD1 TYR 92 -10.563 -3.037 9.012 754 HD2 TYR 92 HD2 TYR 92 -8.354 -2.395 5.433 755 HE1 TYR 92 HE1 TYR 92 -12.328 -4.165 7.726 756 HE2 TYR 92 HE2 TYR 92 -10.114 -3.520 4.138 757 HH TYR 92 HH TYR 92 -13.175 -4.230 5.423 758 H THR 93 H THR 93 -8.122 1.537 6.235 759 HA THR 93 HA THR 93 -10.017 2.608 8.233 760 HB THR 93 HB THR 93 -7.936 3.869 8.177 761 HG1 THR 93 HG1 THR 93 -9.672 5.590 6.828 762 1HG2 THR 93 3HG2 THR 93 -8.466 3.804 5.256 763 2HG2 THR 93 2HG2 THR 93 -7.741 5.270 5.918 764 3HG2 THR 93 1HG2 THR 93 -6.936 3.711 6.129 765 H ARG 94 H ARG 94 -11.791 3.835 7.526 766 HA ARG 94 HA ARG 94 -12.691 3.207 4.827 767 1HB ARG 94 HB2 ARG 94 -14.016 4.101 7.343 768 2HB ARG 94 HB3 ARG 94 -14.787 4.513 5.819 769 1HG ARG 94 HG2 ARG 94 -14.800 2.136 5.202 770 2HG ARG 94 HG3 ARG 94 -14.098 1.747 6.771 771 1HD ARG 94 HD2 ARG 94 -16.511 1.415 6.781 772 2HD ARG 94 HD3 ARG 94 -16.039 2.698 7.892 773 HE ARG 94 HE ARG 94 -16.651 3.933 5.499 774 1HH1 ARG 94 1HH1 ARG 94 -18.301 1.956 7.847 775 2HH1 ARG 94 2HH1 ARG 94 -19.853 2.662 7.542 776 1HH2 ARG 94 1HH2 ARG 94 -18.691 4.868 5.090 777 2HH2 ARG 94 2HH2 ARG 94 -20.075 4.317 5.975 778 HA PRO 95 HA PRO 95 -10.860 7.125 3.418 779 1HB PRO 95 HB2 PRO 95 -12.854 6.451 1.297 780 2HB PRO 95 HB3 PRO 95 -11.193 7.023 1.133 781 1HG PRO 95 HG2 PRO 95 -11.861 4.432 0.807 782 2HG PRO 95 HG3 PRO 95 -10.300 4.933 1.472 783 1HD PRO 95 HD2 PRO 95 -12.563 3.640 2.813 784 2HD PRO 95 HD3 PRO 95 -10.872 3.764 3.322 785 H PHE 96 H PHE 96 -14.292 6.331 3.600 786 HA PHE 96 HA PHE 96 -15.156 9.049 3.302 787 1HB PHE 96 HB2 PHE 96 -16.789 7.578 2.579 788 2HB PHE 96 HB3 PHE 96 -16.493 6.439 3.888 789 HD1 PHE 96 HD1 PHE 96 -18.148 9.600 2.978 790 HD2 PHE 96 HD2 PHE 96 -17.614 6.616 5.959 791 HE1 PHE 96 HE1 PHE 96 -20.058 10.515 4.234 792 HE2 PHE 96 HE2 PHE 96 -19.509 7.522 7.225 793 HZ PHE 96 HZ PHE 96 -20.743 9.476 6.361 794 H GLU 97 H GLU 97 -15.348 6.773 6.063 795 HA GLU 97 HA GLU 97 -16.045 8.800 7.921 796 1HB GLU 97 HB2 GLU 97 -14.942 6.022 8.352 797 2HB GLU 97 HB3 GLU 97 -15.508 7.065 9.647 798 1HG GLU 97 HG2 GLU 97 -17.726 7.128 8.444 799 2HG GLU 97 HG3 GLU 97 -17.102 5.821 7.437 800 H GLY 98 H GLY 98 -13.051 6.865 7.777 801 1HA GLY 98 HA3 GLY 98 -11.660 9.023 9.197 802 2HA GLY 98 HA2 GLY 98 -11.021 8.511 7.641 803 H ILE 99 H ILE 99 -9.244 8.276 9.447 804 HA ILE 99 HA ILE 99 -9.075 5.403 9.895 805 HB ILE 99 HB ILE 99 -6.851 7.323 10.447 806 1HG1 ILE 99 2HG1 ILE 99 -7.249 6.120 7.725 807 2HG1 ILE 99 3HG1 ILE 99 -8.005 7.660 8.126 808 1HG2 ILE 99 2HG2 ILE 99 -7.148 4.424 9.758 809 2HG2 ILE 99 1HG2 ILE 99 -5.620 5.260 9.465 810 3HG2 ILE 99 3HG2 ILE 99 -6.278 5.170 11.099 811 1HD1 ILE 99 2HD1 ILE 99 -5.799 8.583 8.651 812 2HD1 ILE 99 1HD1 ILE 99 -5.059 7.043 8.210 813 3HD1 ILE 99 3HD1 ILE 99 -5.897 8.001 6.988 814 H LYS 100 H LYS 100 -8.547 4.481 11.874 815 HA LYS 100 HA LYS 100 -8.518 6.159 14.252 816 1HB LYS 100 HB2 LYS 100 -10.620 4.071 13.700 817 2HB LYS 100 HB3 LYS 100 -10.313 4.732 15.289 818 1HG LYS 100 HG2 LYS 100 -11.031 6.886 14.646 819 2HG LYS 100 HG3 LYS 100 -11.000 6.464 12.934 820 1HD LYS 100 HD2 LYS 100 -12.799 5.003 14.834 821 2HD LYS 100 HD3 LYS 100 -13.277 6.565 14.163 822 1HE LYS 100 HE2 LYS 100 -12.567 4.080 12.608 823 2HE LYS 100 HE3 LYS 100 -14.178 4.773 12.806 824 1HZ LYS 100 HZ1 LYS 100 -13.432 6.745 11.625 825 2HZ LYS 100 HZ3 LYS 100 -11.892 6.073 11.427 826 3HZ LYS 100 HZ2 LYS 100 -13.228 5.362 10.672 827 HA PRO 101 HA PRO 101 -5.806 3.108 15.887 828 1HB PRO 101 HB2 PRO 101 -6.592 2.922 18.488 829 2HB PRO 101 HB3 PRO 101 -5.703 4.304 17.843 830 1HG PRO 101 HG2 PRO 101 -8.638 4.008 18.347 831 2HG PRO 101 HG3 PRO 101 -7.580 5.391 18.678 832 1HD PRO 101 HD2 PRO 101 -9.208 5.295 16.523 833 2HD PRO 101 HD3 PRO 101 -7.636 6.120 16.494 834 H GLU 102 H GLU 102 -9.211 2.621 16.704 835 HA GLU 102 HA GLU 102 -9.048 -0.078 17.434 836 1HB GLU 102 HB2 GLU 102 -11.491 -0.134 16.915 837 2HB GLU 102 HB3 GLU 102 -11.006 1.163 18.000 838 1HG GLU 102 HG2 GLU 102 -11.013 2.723 16.133 839 2HG GLU 102 HG3 GLU 102 -11.518 1.424 15.056 840 H ASN 103 H ASN 103 -9.179 1.491 14.337 841 HA ASN 103 HA ASN 103 -10.001 -0.631 12.719 842 1HB ASN 103 HB2 ASN 103 -8.045 1.585 12.082 843 2HB ASN 103 HB3 ASN 103 -8.823 0.548 10.892 844 1HD2 ASN 103 1HD2 ASN 103 -11.329 0.521 12.473 845 2HD2 ASN 103 2HD2 ASN 103 -12.072 2.050 12.167 846 H GLU 104 H GLU 104 -8.783 -2.074 11.371 847 HA GLU 104 HA GLU 104 -6.824 -3.521 12.721 848 1HB GLU 104 HB2 GLU 104 -8.131 -3.584 10.110 849 2HB GLU 104 HB3 GLU 104 -6.498 -4.221 10.095 850 1HG GLU 104 HG2 GLU 104 -7.840 -6.071 10.524 851 2HG GLU 104 HG3 GLU 104 -7.208 -5.616 12.103 852 H ARG 105 H ARG 105 -4.639 -4.023 11.860 853 HA ARG 105 HA ARG 105 -3.303 -1.657 10.727 854 1HB ARG 105 HB2 ARG 105 -3.017 -1.679 13.181 855 2HB ARG 105 HB3 ARG 105 -2.348 -3.295 13.085 856 1HG ARG 105 HG2 ARG 105 -0.426 -2.065 13.242 857 2HG ARG 105 HG3 ARG 105 -0.617 -2.146 11.486 858 1HD ARG 105 HD2 ARG 105 -0.113 0.123 12.153 859 2HD ARG 105 HD3 ARG 105 -1.754 0.025 11.510 860 HE ARG 105 HE ARG 105 -1.950 -0.324 14.245 861 1HH1 ARG 105 1HH1 ARG 105 -0.887 2.163 12.045 862 2HH1 ARG 105 2HH1 ARG 105 -1.303 3.464 13.111 863 1HH2 ARG 105 1HH2 ARG 105 -2.501 1.386 15.654 864 2HH2 ARG 105 2HH2 ARG 105 -2.219 3.022 15.161 865 H TYR 106 H TYR 106 -1.112 -2.154 9.918 866 HA TYR 106 HA TYR 106 -0.118 -4.761 9.612 867 1HB TYR 106 HB2 TYR 106 -2.058 -4.972 8.074 868 2HB TYR 106 HB3 TYR 106 -1.409 -3.644 7.112 869 HD1 TYR 106 HD1 TYR 106 0.326 -4.024 5.528 870 HD2 TYR 106 HD2 TYR 106 -0.803 -7.115 8.223 871 HE1 TYR 106 HE1 TYR 106 1.658 -5.632 4.232 872 HE2 TYR 106 HE2 TYR 106 0.526 -8.733 6.936 873 HH TYR 106 HH TYR 106 2.771 -7.797 4.569 874 H THR 107 H THR 107 1.502 -3.307 10.476 875 HA THR 107 HA THR 107 2.742 -1.501 8.539 876 HB THR 107 HB THR 107 4.074 -1.655 11.112 877 HG1 THR 107 HG1 THR 107 1.268 -1.232 11.037 878 1HG2 THR 107 2HG2 THR 107 4.134 0.187 9.367 879 2HG2 THR 107 1HG2 THR 107 2.527 0.641 9.930 880 3HG2 THR 107 3HG2 THR 107 3.899 0.706 11.036 881 H LEU 108 H LEU 108 3.828 -2.877 7.145 882 HA LEU 108 HA LEU 108 5.462 -5.024 8.081 883 1HB LEU 108 HB2 LEU 108 4.608 -5.291 5.910 884 2HB LEU 108 HB3 LEU 108 5.101 -3.687 5.421 885 HG LEU 108 HG LEU 108 7.439 -4.382 5.389 886 1HD1 LEU 108 2HD1 LEU 108 7.360 -6.021 7.190 887 2HD1 LEU 108 1HD1 LEU 108 6.399 -7.098 6.175 888 3HD1 LEU 108 3HD1 LEU 108 8.061 -6.713 5.727 889 1HD2 LEU 108 3HD2 LEU 108 6.090 -4.657 3.370 890 2HD2 LEU 108 2HD2 LEU 108 7.338 -5.898 3.495 891 3HD2 LEU 108 1HD2 LEU 108 5.661 -6.289 3.881 892 H HIS 109 H HIS 109 6.951 -4.263 9.532 893 HA HIS 109 HA HIS 109 8.628 -2.013 8.964 894 1HB HIS 109 HB2 HIS 109 8.522 -4.049 11.146 895 2HB HIS 109 HB3 HIS 109 9.902 -2.970 11.004 896 HD1 HIS 109 HD1 HIS 109 9.602 -0.593 11.814 897 HD2 HIS 109 HD2 HIS 109 6.047 -2.745 11.733 898 HE1 HIS 109 HE1 HIS 109 7.913 0.856 12.983 899 HE2 HIS 109 HE2 HIS 109 5.790 -0.502 12.997 900 H LEU 110 H LEU 110 10.806 -1.998 8.494 901 HA LEU 110 HA LEU 110 12.087 -4.479 7.675 902 1HB LEU 110 HB2 LEU 110 11.647 -2.142 5.819 903 2HB LEU 110 HB3 LEU 110 12.690 -3.503 5.469 904 HG LEU 110 HG LEU 110 9.694 -3.641 5.860 905 1HD1 LEU 110 3HD1 LEU 110 11.371 -3.832 3.362 906 2HD1 LEU 110 2HD1 LEU 110 9.629 -4.091 3.456 907 3HD1 LEU 110 1HD1 LEU 110 10.303 -2.498 3.800 908 1HD2 LEU 110 1HD2 LEU 110 11.018 -5.677 6.530 909 2HD2 LEU 110 3HD2 LEU 110 9.822 -5.927 5.260 910 3HD2 LEU 110 2HD2 LEU 110 11.530 -5.797 4.848 911 H ASN 111 H ASN 111 14.074 -4.444 8.510 912 HA ASN 111 HA ASN 111 15.345 -1.924 9.184 913 1HB ASN 111 HB2 ASN 111 15.444 -3.856 10.754 914 2HB ASN 111 HB3 ASN 111 16.358 -4.758 9.550 915 1HD2 ASN 111 1HD2 ASN 111 18.497 -4.257 9.183 916 2HD2 ASN 111 2HD2 ASN 111 19.406 -3.219 10.221 917 H VAL 112 H VAL 112 15.182 -1.573 6.755 918 HA VAL 112 HA VAL 112 16.567 -2.836 4.791 919 HB VAL 112 HB VAL 112 16.717 0.153 4.911 920 1HG1 VAL 112 2HG1 VAL 112 17.590 -1.120 2.971 921 2HG1 VAL 112 1HG1 VAL 112 15.962 -1.745 2.701 922 3HG1 VAL 112 3HG1 VAL 112 16.278 -0.016 2.552 923 1HG2 VAL 112 3HG2 VAL 112 14.220 -1.503 4.635 924 2HG2 VAL 112 2HG2 VAL 112 14.534 -0.180 5.759 925 3HG2 VAL 112 1HG2 VAL 112 14.343 0.153 4.038 926 H LYS 113 H LYS 113 18.606 -3.366 4.455 927 HA LYS 113 HA LYS 113 20.697 -2.529 6.189 928 1HB LYS 113 HB2 LYS 113 20.841 -4.042 3.575 929 2HB LYS 113 HB3 LYS 113 22.141 -3.904 4.752 930 1HG LYS 113 HG2 LYS 113 19.490 -5.273 5.159 931 2HG LYS 113 HG3 LYS 113 21.058 -6.050 4.953 932 1HD LYS 113 HD2 LYS 113 20.287 -4.236 7.238 933 2HD LYS 113 HD3 LYS 113 20.362 -5.997 7.307 934 1HE LYS 113 HE2 LYS 113 22.763 -5.885 6.748 935 2HE LYS 113 HE3 LYS 113 22.665 -4.125 6.779 936 1HZ LYS 113 HZ3 LYS 113 22.021 -4.237 9.103 937 2HZ LYS 113 HZ2 LYS 113 22.115 -5.925 9.075 938 3HZ LYS 113 HZ1 LYS 113 23.513 -4.998 8.861 No H/Q in entry = 938 Start of MODEL 26 1 H1 GLY -2 HT1 GLY -2 -10.664 -24.467 23.696 2 H2 GLY -2 HT3 GLY -2 -11.926 -24.225 22.595 3 H3 GLY -2 HT2 GLY -2 -10.417 -24.755 22.048 4 1HA GLY -2 HA2 GLY -2 -10.713 -22.417 21.548 5 2HA GLY -2 HA3 GLY -2 -9.400 -22.669 22.688 6 H SER -1 H SER -1 -10.310 -22.749 25.078 7 HA SER -1 HA SER -1 -12.441 -20.822 25.509 8 1HB SER -1 HB2 SER -1 -12.359 -22.814 26.932 9 2HB SER -1 HB3 SER -1 -10.744 -22.370 27.484 10 HG SER -1 HG SER -1 -12.921 -20.605 27.788 11 H HIS 0 H HIS 0 -8.970 -20.994 25.610 12 HA HIS 0 HA HIS 0 -8.826 -18.307 26.787 13 1HB HIS 0 HB2 HIS 0 -6.643 -20.355 26.339 14 2HB HIS 0 HB3 HIS 0 -6.421 -18.781 27.096 15 HD1 HIS 0 HD1 HIS 0 -6.955 -18.589 29.551 16 HD2 HIS 0 HD2 HIS 0 -8.180 -22.204 27.912 17 HE1 HIS 0 HE1 HIS 0 -7.646 -20.011 31.505 18 HE2 HIS 0 HE2 HIS 0 -8.298 -22.226 30.496 19 H MET 1 H MET 1 -8.618 -16.645 25.453 20 HA MET 1 HA MET 1 -7.873 -17.073 22.685 21 1HB MET 1 HB2 MET 1 -8.749 -14.597 24.180 22 2HB MET 1 HB3 MET 1 -8.378 -14.629 22.462 23 1HG MET 1 HG2 MET 1 -10.735 -14.752 22.700 24 2HG MET 1 HG3 MET 1 -10.165 -16.335 22.173 25 1HE MET 1 HE3 MET 1 -12.497 -17.405 22.858 26 2HE MET 1 HE2 MET 1 -13.225 -17.222 24.453 27 3HE MET 1 HE1 MET 1 -13.073 -15.825 23.389 28 H ILE 2 H ILE 2 -6.891 -14.542 24.983 29 HA ILE 2 HA ILE 2 -4.861 -13.682 25.546 30 HB ILE 2 HB ILE 2 -3.633 -15.972 24.006 31 1HG1 ILE 2 2HG1 ILE 2 -4.175 -15.733 26.975 32 2HG1 ILE 2 3HG1 ILE 2 -5.140 -16.694 25.858 33 1HG2 ILE 2 3HG2 ILE 2 -2.099 -14.114 24.369 34 2HG2 ILE 2 2HG2 ILE 2 -2.468 -14.133 26.094 35 3HG2 ILE 2 1HG2 ILE 2 -1.644 -15.505 25.353 36 1HD1 ILE 2 2HD1 ILE 2 -3.184 -18.074 25.366 37 2HD1 ILE 2 1HD1 ILE 2 -2.234 -17.119 26.504 38 3HD1 ILE 2 3HD1 ILE 2 -3.588 -18.087 27.083 39 H ALA 3 H ALA 3 -5.482 -14.545 22.218 40 HA ALA 3 HA ALA 3 -3.982 -12.153 21.395 41 1HB ALA 3 HB1 ALA 3 -3.431 -13.260 19.281 42 2HB ALA 3 HB2 ALA 3 -4.210 -14.734 19.856 43 3HB ALA 3 HB3 ALA 3 -2.771 -14.123 20.669 44 HA PRO 4 HA PRO 4 -7.778 -12.385 18.485 45 1HB PRO 4 HB2 PRO 4 -9.610 -14.334 18.772 46 2HB PRO 4 HB3 PRO 4 -8.144 -14.563 17.813 47 1HG PRO 4 HG2 PRO 4 -8.739 -15.450 20.609 48 2HG PRO 4 HG3 PRO 4 -7.935 -16.338 19.301 49 1HD PRO 4 HD2 PRO 4 -6.593 -15.084 21.324 50 2HD PRO 4 HD3 PRO 4 -5.909 -15.345 19.709 51 H LEU 5 H LEU 5 -8.463 -10.568 19.568 52 HA LEU 5 HA LEU 5 -10.964 -10.681 20.883 53 1HB LEU 5 HB2 LEU 5 -9.327 -11.449 22.688 54 2HB LEU 5 HB3 LEU 5 -8.705 -9.811 22.677 55 HG LEU 5 HG LEU 5 -11.618 -10.374 23.177 56 1HD1 LEU 5 2HD1 LEU 5 -9.404 -10.258 25.220 57 2HD1 LEU 5 1HD1 LEU 5 -11.132 -10.296 25.573 58 3HD1 LEU 5 3HD1 LEU 5 -10.360 -11.679 24.799 59 1HD2 LEU 5 3HD2 LEU 5 -9.783 -8.080 23.855 60 2HD2 LEU 5 2HD2 LEU 5 -11.084 -8.081 22.664 61 3HD2 LEU 5 1HD2 LEU 5 -11.461 -8.218 24.381 62 H SER 6 H SER 6 -8.044 -8.646 21.128 63 HA SER 6 HA SER 6 -9.440 -6.518 19.689 64 1HB SER 6 HB2 SER 6 -8.764 -4.837 21.366 65 2HB SER 6 HB3 SER 6 -9.851 -6.042 22.058 66 HG SER 6 HG SER 6 -7.927 -5.502 23.326 67 H VAL 7 H VAL 7 -6.584 -8.171 20.596 68 HA VAL 7 HA VAL 7 -4.890 -6.244 19.166 69 HB VAL 7 HB VAL 7 -2.977 -7.417 20.137 70 1HG1 VAL 7 1HG1 VAL 7 -3.968 -5.565 21.374 71 2HG1 VAL 7 3HG1 VAL 7 -5.064 -6.682 22.187 72 3HG1 VAL 7 2HG1 VAL 7 -3.327 -6.784 22.475 73 1HG2 VAL 7 2HG2 VAL 7 -5.043 -9.158 21.476 74 2HG2 VAL 7 1HG2 VAL 7 -3.888 -9.662 20.241 75 3HG2 VAL 7 3HG2 VAL 7 -3.316 -9.164 21.834 76 H LYS 8 H LYS 8 -3.438 -6.964 17.545 77 HA LYS 8 HA LYS 8 -3.711 -9.641 16.493 78 1HB LYS 8 HB2 LYS 8 -4.537 -7.195 14.919 79 2HB LYS 8 HB3 LYS 8 -4.224 -8.764 14.199 80 1HG LYS 8 HG2 LYS 8 -6.327 -8.241 16.286 81 2HG LYS 8 HG3 LYS 8 -6.624 -8.289 14.547 82 1HD LYS 8 HD2 LYS 8 -5.846 -10.604 14.473 83 2HD LYS 8 HD3 LYS 8 -5.531 -10.558 16.208 84 1HE LYS 8 HE2 LYS 8 -8.219 -10.211 14.885 85 2HE LYS 8 HE3 LYS 8 -7.655 -11.661 15.716 86 1HZ LYS 8 HZ1 LYS 8 -7.505 -10.383 17.763 87 2HZ LYS 8 HZ3 LYS 8 -8.059 -8.997 16.964 88 3HZ LYS 8 HZ2 LYS 8 -9.077 -10.336 17.139 89 H ASP 9 H ASP 9 -1.892 -10.276 15.486 90 HA ASP 9 HA ASP 9 0.382 -8.515 15.625 91 1HB ASP 9 HB2 ASP 9 0.466 -10.965 16.215 92 2HB ASP 9 HB3 ASP 9 0.290 -11.310 14.497 93 H ASN 10 H ASN 10 0.491 -7.008 14.096 94 HA ASN 10 HA ASN 10 0.149 -7.819 11.293 95 1HB ASN 10 HB2 ASN 10 0.044 -5.040 11.367 96 2HB ASN 10 HB3 ASN 10 -1.318 -6.138 11.177 97 1HD2 ASN 10 1HD2 ASN 10 0.418 -4.055 13.316 98 2HD2 ASN 10 2HD2 ASN 10 -0.746 -4.041 14.593 99 H ASP 11 H ASP 11 1.529 -4.908 12.621 100 HA ASP 11 HA ASP 11 3.519 -4.333 11.004 101 1HB ASP 11 HB2 ASP 11 4.854 -3.848 13.296 102 2HB ASP 11 HB3 ASP 11 3.530 -2.845 12.713 103 H LYS 12 H LYS 12 4.819 -5.654 9.974 104 HA LYS 12 HA LYS 12 6.056 -7.915 11.298 105 1HB LYS 12 HB2 LYS 12 5.223 -7.458 8.713 106 2HB LYS 12 HB3 LYS 12 6.970 -7.306 8.586 107 1HG LYS 12 HG2 LYS 12 7.206 -9.516 9.657 108 2HG LYS 12 HG3 LYS 12 5.448 -9.662 9.672 109 1HD LYS 12 HD2 LYS 12 6.245 -10.858 7.770 110 2HD LYS 12 HD3 LYS 12 5.494 -9.373 7.182 111 1HE LYS 12 HE2 LYS 12 7.711 -8.335 7.010 112 2HE LYS 12 HE3 LYS 12 8.450 -9.835 7.566 113 1HZ LYS 12 HZ3 LYS 12 7.566 -10.952 5.614 114 2HZ LYS 12 HZ2 LYS 12 6.859 -9.511 5.079 115 3HZ LYS 12 HZ1 LYS 12 8.543 -9.646 5.164 116 H TRP 13 H TRP 13 7.525 -7.085 12.737 117 HA TRP 13 HA TRP 13 9.434 -5.083 12.037 118 1HB TRP 13 HB2 TRP 13 9.689 -6.917 14.398 119 2HB TRP 13 HB3 TRP 13 10.126 -5.221 14.252 120 HD1 TRP 13 HD1 TRP 13 7.037 -7.463 14.695 121 HE1 TRP 13 HE1 TRP 13 5.111 -6.046 15.645 122 HE3 TRP 13 HE3 TRP 13 9.275 -2.865 14.580 123 HZ2 TRP 13 HZ2 TRP 13 4.591 -3.333 16.254 124 HZ3 TRP 13 HZ3 TRP 13 8.001 -0.917 15.375 125 HH2 TRP 13 HH2 TRP 13 5.715 -1.148 16.201 126 H VAL 14 H VAL 14 10.778 -5.666 10.387 127 HA VAL 14 HA VAL 14 12.686 -7.809 10.972 128 HB VAL 14 HB VAL 14 12.451 -8.837 8.739 129 1HG1 VAL 14 1HG1 VAL 14 11.390 -9.879 10.668 130 2HG1 VAL 14 3HG1 VAL 14 9.939 -8.913 10.405 131 3HG1 VAL 14 2HG1 VAL 14 10.423 -10.119 9.213 132 1HG2 VAL 14 3HG2 VAL 14 9.992 -7.104 8.543 133 2HG2 VAL 14 2HG2 VAL 14 11.434 -7.010 7.534 134 3HG2 VAL 14 1HG2 VAL 14 10.388 -8.427 7.447 135 H ASP 15 H ASP 15 14.055 -8.026 8.740 136 HA ASP 15 HA ASP 15 15.043 -5.305 8.197 137 1HB ASP 15 HB2 ASP 15 16.376 -7.940 8.628 138 2HB ASP 15 HB3 ASP 15 17.157 -6.778 7.557 139 H THR 16 H THR 16 16.471 -5.439 6.015 140 HA THR 16 HA THR 16 15.661 -7.178 3.962 141 HB THR 16 HB THR 16 13.512 -5.825 4.435 142 HG1 THR 16 HG1 THR 16 13.466 -5.544 1.897 143 1HG2 THR 16 1HG2 THR 16 14.639 -3.615 4.459 144 2HG2 THR 16 3HG2 THR 16 14.974 -3.810 2.738 145 3HG2 THR 16 2HG2 THR 16 13.307 -3.707 3.306 146 H HIS 17 H HIS 17 15.838 -5.784 1.701 147 HA HIS 17 HA HIS 17 18.380 -4.310 1.912 148 1HB HIS 17 HB2 HIS 17 17.456 -6.387 -0.029 149 2HB HIS 17 HB3 HIS 17 18.583 -5.156 -0.576 150 HD1 HIS 17 HD1 HIS 17 21.002 -5.461 0.045 151 HD2 HIS 17 HD2 HIS 17 18.482 -8.066 2.078 152 HE1 HIS 17 HE1 HIS 17 22.521 -7.079 1.229 153 HE2 HIS 17 HE2 HIS 17 20.971 -8.698 2.380 154 H VAL 18 H VAL 18 18.593 -3.301 -0.610 155 HA VAL 18 HA VAL 18 16.598 -1.207 -0.522 156 HB VAL 18 HB VAL 18 18.945 -0.618 -0.866 157 1HG1 VAL 18 3HG1 VAL 18 19.667 -2.585 -2.100 158 2HG1 VAL 18 2HG1 VAL 18 18.682 -2.098 -3.480 159 3HG1 VAL 18 1HG1 VAL 18 20.061 -1.114 -2.990 160 1HG2 VAL 18 2HG2 VAL 18 17.220 0.875 -1.726 161 2HG2 VAL 18 1HG2 VAL 18 18.647 0.900 -2.764 162 3HG2 VAL 18 3HG2 VAL 18 17.213 0.000 -3.257 163 H GLY 19 H GLY 19 15.124 -0.679 -2.035 164 1HA GLY 19 HA3 GLY 19 14.866 -1.577 -4.641 165 2HA GLY 19 HA2 GLY 19 13.543 -1.016 -3.641 166 H LYS 20 H LYS 20 14.278 -3.372 -1.761 167 HA LYS 20 HA LYS 20 13.715 -5.735 -3.198 168 1HB LYS 20 HB2 LYS 20 14.481 -5.173 -0.633 169 2HB LYS 20 HB3 LYS 20 12.818 -5.668 -0.397 170 1HG LYS 20 HG2 LYS 20 13.963 -7.648 -0.171 171 2HG LYS 20 HG3 LYS 20 13.462 -7.694 -1.866 172 1HD LYS 20 HD2 LYS 20 15.595 -7.124 -2.629 173 2HD LYS 20 HD3 LYS 20 16.078 -6.522 -1.047 174 1HE LYS 20 HE2 LYS 20 15.558 -9.407 -1.758 175 2HE LYS 20 HE3 LYS 20 17.148 -8.669 -1.563 176 1HZ LYS 20 HZ1 LYS 20 15.089 -8.923 0.563 177 2HZ LYS 20 HZ3 LYS 20 16.483 -9.872 0.420 178 3HZ LYS 20 HZ2 LYS 20 16.615 -8.217 0.749 179 H THR 21 H THR 21 11.989 -5.032 -4.558 180 HA THR 21 HA THR 21 9.563 -3.978 -3.821 181 HB THR 21 HB THR 21 9.768 -6.120 -5.928 182 HG1 THR 21 HG1 THR 21 10.211 -3.920 -7.151 183 1HG2 THR 21 3HG2 THR 21 7.546 -5.175 -5.427 184 2HG2 THR 21 2HG2 THR 21 8.168 -3.561 -5.766 185 3HG2 THR 21 1HG2 THR 21 8.089 -4.763 -7.055 186 H THR 22 H THR 22 8.624 -4.714 -1.989 187 HA THR 22 HA THR 22 8.094 -7.572 -1.699 188 HB THR 22 HB THR 22 7.596 -5.288 0.226 189 HG1 THR 22 HG1 THR 22 9.714 -5.573 0.383 190 1HG2 THR 22 1HG2 THR 22 7.364 -8.274 0.636 191 2HG2 THR 22 3HG2 THR 22 7.216 -7.049 1.898 192 3HG2 THR 22 2HG2 THR 22 6.027 -7.124 0.597 193 H GLU 23 H GLU 23 6.412 -8.194 -2.871 194 HA GLU 23 HA GLU 23 4.072 -6.539 -3.168 195 1HB GLU 23 HB2 GLU 23 5.021 -7.888 -5.034 196 2HB GLU 23 HB3 GLU 23 4.594 -9.343 -4.146 197 1HG GLU 23 HG2 GLU 23 2.278 -8.879 -4.321 198 2HG GLU 23 HG3 GLU 23 2.595 -7.250 -4.923 199 H ILE 24 H ILE 24 2.271 -6.705 -2.020 200 HA ILE 24 HA ILE 24 1.836 -9.135 -0.430 201 HB ILE 24 HB ILE 24 1.365 -6.327 0.543 202 1HG1 ILE 24 2HG1 ILE 24 3.480 -8.343 1.316 203 2HG1 ILE 24 3HG1 ILE 24 3.754 -6.844 0.437 204 1HG2 ILE 24 3HG2 ILE 24 -0.237 -7.971 1.402 205 2HG2 ILE 24 2HG2 ILE 24 1.100 -8.971 1.969 206 3HG2 ILE 24 1HG2 ILE 24 0.830 -7.379 2.676 207 1HD1 ILE 24 2HD1 ILE 24 3.034 -5.570 2.393 208 2HD1 ILE 24 1HD1 ILE 24 2.788 -7.077 3.276 209 3HD1 ILE 24 3HD1 ILE 24 4.407 -6.616 2.753 210 H HIS 25 H HIS 25 0.141 -9.996 -1.462 211 HA HIS 25 HA HIS 25 -2.060 -8.365 -2.382 212 1HB HIS 25 HB2 HIS 25 -2.034 -11.372 -2.267 213 2HB HIS 25 HB3 HIS 25 -2.922 -10.328 -3.362 214 HD1 HIS 25 HD1 HIS 25 -0.070 -12.446 -3.307 215 HD2 HIS 25 HD2 HIS 25 -0.989 -8.826 -5.127 216 HE1 HIS 25 HE1 HIS 25 1.566 -12.213 -5.203 217 HE2 HIS 25 HE2 HIS 25 0.916 -10.069 -6.356 218 H LEU 26 H LEU 26 -3.091 -7.510 -0.646 219 HA LEU 26 HA LEU 26 -3.784 -9.183 1.632 220 1HB LEU 26 HB2 LEU 26 -4.394 -6.281 1.113 221 2HB LEU 26 HB3 LEU 26 -4.617 -7.120 2.632 222 HG LEU 26 HG LEU 26 -1.896 -6.872 1.378 223 1HD1 LEU 26 2HD1 LEU 26 -3.217 -4.914 3.251 224 2HD1 LEU 26 1HD1 LEU 26 -1.523 -4.892 2.762 225 3HD1 LEU 26 3HD1 LEU 26 -2.789 -4.614 1.567 226 1HD2 LEU 26 2HD2 LEU 26 -2.329 -8.494 3.242 227 2HD2 LEU 26 1HD2 LEU 26 -1.101 -7.275 3.588 228 3HD2 LEU 26 3HD2 LEU 26 -2.722 -7.111 4.266 229 H LYS 27 H LYS 27 -5.895 -9.641 2.255 230 HA LYS 27 HA LYS 27 -7.832 -9.481 0.066 231 1HB LYS 27 HB2 LYS 27 -8.159 -11.073 2.597 232 2HB LYS 27 HB3 LYS 27 -8.991 -11.286 1.066 233 1HG LYS 27 HG2 LYS 27 -6.811 -11.929 0.042 234 2HG LYS 27 HG3 LYS 27 -6.103 -11.883 1.659 235 1HD LYS 27 HD2 LYS 27 -7.685 -13.592 2.407 236 2HD LYS 27 HD3 LYS 27 -8.399 -13.638 0.794 237 1HE LYS 27 HE2 LYS 27 -5.547 -14.329 1.487 238 2HE LYS 27 HE3 LYS 27 -6.831 -15.483 1.132 239 1HZ LYS 27 HZ2 LYS 27 -5.771 -13.447 -0.754 240 2HZ LYS 27 HZ1 LYS 27 -5.427 -15.103 -0.793 241 3HZ LYS 27 HZ3 LYS 27 -7.001 -14.558 -1.093 242 H GLY 28 H GLY 28 -10.111 -9.081 0.654 243 1HA GLY 28 HA3 GLY 28 -10.312 -6.609 2.045 244 2HA GLY 28 HA2 GLY 28 -10.981 -7.915 3.005 245 H ASN 29 H ASN 29 -12.074 -5.500 1.444 246 HA ASN 29 HA ASN 29 -13.694 -6.451 -0.651 247 1HB ASN 29 HB2 ASN 29 -14.742 -7.734 1.213 248 2HB ASN 29 HB3 ASN 29 -15.134 -6.208 1.999 249 1HD2 ASN 29 1HD2 ASN 29 -17.330 -6.567 1.922 250 2HD2 ASN 29 2HD2 ASN 29 -18.234 -6.500 0.451 251 HA PRO 30 HA PRO 30 -13.378 -1.901 -0.565 252 1HB PRO 30 HB2 PRO 30 -14.237 -1.629 -3.169 253 2HB PRO 30 HB3 PRO 30 -12.555 -1.882 -2.690 254 1HG PRO 30 HG2 PRO 30 -14.570 -3.867 -3.665 255 2HG PRO 30 HG3 PRO 30 -12.850 -3.725 -4.069 256 1HD PRO 30 HD2 PRO 30 -13.729 -5.563 -2.331 257 2HD PRO 30 HD3 PRO 30 -12.175 -4.738 -2.094 258 H THR 31 H THR 31 -16.026 -3.987 -0.826 259 HA THR 31 HA THR 31 -17.932 -1.757 -0.975 260 HB THR 31 HB THR 31 -19.650 -3.469 -1.402 261 HG1 THR 31 HG1 THR 31 -19.119 -5.422 -0.780 262 1HG2 THR 31 1HG2 THR 31 -18.515 -2.416 -3.294 263 2HG2 THR 31 3HG2 THR 31 -17.260 -3.655 -3.238 264 3HG2 THR 31 2HG2 THR 31 -18.916 -4.095 -3.658 265 H THR 32 H THR 32 -16.294 -2.959 1.397 266 HA THR 32 HA THR 32 -18.530 -3.614 3.174 267 HB THR 32 HB THR 32 -16.420 -5.036 3.141 268 HG1 THR 32 HG1 THR 32 -17.766 -3.990 5.327 269 1HG2 THR 32 1HG2 THR 32 -14.859 -3.066 3.094 270 2HG2 THR 32 3HG2 THR 32 -15.287 -2.769 4.778 271 3HG2 THR 32 2HG2 THR 32 -14.487 -4.273 4.325 272 H GLY 33 H GLY 33 -16.094 -1.174 2.588 273 1HA GLY 33 HA3 GLY 33 -17.067 0.331 4.931 274 2HA GLY 33 HA2 GLY 33 -17.009 1.083 3.344 275 H TYR 34 H TYR 34 -14.645 -1.072 4.888 276 HA TYR 34 HA TYR 34 -12.818 1.143 5.302 277 1HB TYR 34 HB2 TYR 34 -12.618 -1.803 5.925 278 2HB TYR 34 HB3 TYR 34 -11.311 -0.663 6.226 279 HD1 TYR 34 HD1 TYR 34 -14.818 -1.469 7.117 280 HD2 TYR 34 HD2 TYR 34 -11.292 0.674 8.182 281 HE1 TYR 34 HE1 TYR 34 -15.806 -0.936 9.304 282 HE2 TYR 34 HE2 TYR 34 -12.276 1.210 10.370 283 HH TYR 34 HH TYR 34 -14.504 1.396 11.394 284 H MET 35 H MET 35 -10.394 0.383 4.809 285 HA MET 35 HA MET 35 -10.093 -0.788 2.187 286 1HB MET 35 HB2 MET 35 -10.340 1.333 1.319 287 2HB MET 35 HB3 MET 35 -9.815 2.111 2.807 288 1HG MET 35 HG2 MET 35 -7.501 1.422 2.312 289 2HG MET 35 HG3 MET 35 -8.063 0.755 0.794 290 1HE MET 35 HE1 MET 35 -10.237 2.784 -0.114 291 2HE MET 35 HE3 MET 35 -9.359 4.000 -1.041 292 3HE MET 35 HE2 MET 35 -8.999 2.289 -1.268 293 H TRP 36 H TRP 36 -7.931 -1.354 1.755 294 HA TRP 36 HA TRP 36 -6.185 -1.292 4.120 295 1HB TRP 36 HB2 TRP 36 -6.806 -3.350 2.140 296 2HB TRP 36 HB3 TRP 36 -5.084 -3.117 2.386 297 HD1 TRP 36 HD1 TRP 36 -7.743 -5.192 3.624 298 HE1 TRP 36 HE1 TRP 36 -7.247 -6.100 5.982 299 HE3 TRP 36 HE3 TRP 36 -3.916 -2.062 4.903 300 HZ2 TRP 36 HZ2 TRP 36 -5.465 -5.558 8.104 301 HZ3 TRP 36 HZ3 TRP 36 -2.866 -2.321 7.109 302 HH2 TRP 36 HH2 TRP 36 -3.629 -4.031 8.677 303 H THR 37 H THR 37 -5.319 0.754 3.682 304 HA THR 37 HA THR 37 -3.478 0.784 1.382 305 HB THR 37 HB THR 37 -5.456 2.203 0.895 306 HG1 THR 37 HG1 THR 37 -3.530 2.835 -0.062 307 1HG2 THR 37 3HG2 THR 37 -5.984 2.902 3.177 308 2HG2 THR 37 2HG2 THR 37 -4.480 3.818 3.258 309 3HG2 THR 37 1HG2 THR 37 -5.749 4.303 2.133 310 H ARG 38 H ARG 38 -2.144 3.139 1.844 311 HA ARG 38 HA ARG 38 -0.533 2.427 4.110 312 1HB ARG 38 HB2 ARG 38 -0.281 4.120 1.772 313 2HB ARG 38 HB3 ARG 38 0.278 4.946 3.217 314 1HG ARG 38 HG2 ARG 38 2.148 3.756 3.286 315 2HG ARG 38 HG3 ARG 38 1.273 2.239 3.092 316 1HD ARG 38 HD2 ARG 38 2.143 4.105 0.890 317 2HD ARG 38 HD3 ARG 38 2.815 2.537 1.251 318 HE ARG 38 HE ARG 38 0.440 3.071 -0.231 319 1HH1 ARG 38 1HH1 ARG 38 2.101 0.733 1.733 320 2HH1 ARG 38 2HH1 ARG 38 1.151 -0.605 1.180 321 1HH2 ARG 38 1HH2 ARG 38 -0.834 1.296 -0.954 322 2HH2 ARG 38 2HH2 ARG 38 -0.503 -0.286 -0.341 323 H VAL 39 H VAL 39 -0.379 3.411 6.069 324 HA VAL 39 HA VAL 39 -2.563 4.745 7.155 325 HB VAL 39 HB VAL 39 0.282 4.832 8.174 326 1HG1 VAL 39 1HG1 VAL 39 -2.346 5.247 9.593 327 2HG1 VAL 39 3HG1 VAL 39 -0.764 5.178 10.369 328 3HG1 VAL 39 2HG1 VAL 39 -1.138 6.483 9.244 329 1HG2 VAL 39 1HG2 VAL 39 -0.763 2.538 7.725 330 2HG2 VAL 39 3HG2 VAL 39 -0.091 2.838 9.329 331 3HG2 VAL 39 2HG2 VAL 39 -1.837 2.910 9.074 332 H GLY 40 H GLY 40 -3.127 6.842 7.419 333 1HA GLY 40 HA3 GLY 40 -1.303 9.019 7.170 334 2HA GLY 40 HA2 GLY 40 -3.052 9.139 7.285 335 H PHE 41 H PHE 41 -2.000 7.094 4.790 336 HA PHE 41 HA PHE 41 -2.131 9.263 2.813 337 1HB PHE 41 HB2 PHE 41 -1.090 6.440 2.494 338 2HB PHE 41 HB3 PHE 41 -1.023 7.708 1.276 339 HD1 PHE 41 HD1 PHE 41 -0.396 9.804 3.646 340 HD2 PHE 41 HD2 PHE 41 1.353 6.189 2.232 341 HE1 PHE 41 HE1 PHE 41 1.790 10.522 4.519 342 HE2 PHE 41 HE2 PHE 41 3.539 6.901 3.107 343 HZ PHE 41 HZ PHE 41 3.760 9.069 4.253 344 H VAL 42 H VAL 42 -4.346 7.839 4.228 345 HA VAL 42 HA VAL 42 -5.678 6.227 2.270 346 HB VAL 42 HB VAL 42 -6.933 7.543 4.676 347 1HG1 VAL 42 3HG1 VAL 42 -8.397 6.469 2.967 348 2HG1 VAL 42 2HG1 VAL 42 -7.586 4.941 3.313 349 3HG1 VAL 42 1HG1 VAL 42 -8.508 5.755 4.576 350 1HG2 VAL 42 3HG2 VAL 42 -4.767 6.266 5.130 351 2HG2 VAL 42 2HG2 VAL 42 -6.195 5.806 6.055 352 3HG2 VAL 42 1HG2 VAL 42 -5.675 4.822 4.688 353 H GLY 43 H GLY 43 -6.333 7.157 0.428 354 1HA GLY 43 HA3 GLY 43 -8.075 9.514 0.640 355 2HA GLY 43 HA2 GLY 43 -8.059 8.369 -0.693 356 H LYS 44 H LYS 44 -4.979 9.321 0.426 357 HA LYS 44 HA LYS 44 -4.623 11.707 -1.024 358 1HB LYS 44 HB2 LYS 44 -2.665 9.644 -0.020 359 2HB LYS 44 HB3 LYS 44 -2.172 11.147 -0.774 360 1HG LYS 44 HG2 LYS 44 -3.497 12.344 1.004 361 2HG LYS 44 HG3 LYS 44 -3.659 10.783 1.810 362 1HD LYS 44 HD2 LYS 44 -1.806 11.950 2.788 363 2HD LYS 44 HD3 LYS 44 -1.176 10.605 1.833 364 1HE LYS 44 HE2 LYS 44 -0.677 12.139 -0.003 365 2HE LYS 44 HE3 LYS 44 -1.318 13.483 0.942 366 1HZ LYS 44 HZ2 LYS 44 0.416 13.102 2.585 367 2HZ LYS 44 HZ1 LYS 44 1.032 11.820 1.671 368 3HZ LYS 44 HZ3 LYS 44 1.088 13.397 1.061 369 H ASP 45 H ASP 45 -2.831 11.819 -2.763 370 HA ASP 45 HA ASP 45 -3.759 10.348 -5.028 371 1HB ASP 45 HB2 ASP 45 -1.579 12.386 -4.605 372 2HB ASP 45 HB3 ASP 45 -1.856 11.617 -6.160 373 H VAL 46 H VAL 46 -0.475 10.754 -3.738 374 HA VAL 46 HA VAL 46 0.156 8.026 -4.652 375 HB VAL 46 HB VAL 46 1.517 9.944 -5.560 376 1HG1 VAL 46 1HG1 VAL 46 1.629 11.286 -3.531 377 2HG1 VAL 46 3HG1 VAL 46 2.576 10.026 -2.742 378 3HG1 VAL 46 2HG1 VAL 46 3.245 10.897 -4.121 379 1HG2 VAL 46 1HG2 VAL 46 2.961 7.809 -3.991 380 2HG2 VAL 46 3HG2 VAL 46 2.334 7.660 -5.633 381 3HG2 VAL 46 2HG2 VAL 46 3.663 8.768 -5.294 382 H LEU 47 H LEU 47 0.656 6.521 -3.295 383 HA LEU 47 HA LEU 47 0.363 6.914 -0.482 384 1HB LEU 47 HB2 LEU 47 1.463 4.484 -1.879 385 2HB LEU 47 HB3 LEU 47 0.639 4.550 -0.336 386 HG LEU 47 HG LEU 47 -0.611 5.039 -3.048 387 1HD1 LEU 47 3HD1 LEU 47 -0.089 2.699 -2.644 388 2HD1 LEU 47 2HD1 LEU 47 -0.958 2.765 -1.111 389 3HD1 LEU 47 1HD1 LEU 47 -1.831 2.979 -2.627 390 1HD2 LEU 47 3HD2 LEU 47 -1.832 5.056 -0.289 391 2HD2 LEU 47 2HD2 LEU 47 -1.692 6.424 -1.393 392 3HD2 LEU 47 1HD2 LEU 47 -2.746 5.070 -1.797 393 H SER 48 H SER 48 2.982 5.466 -2.341 394 HA SER 48 HA SER 48 5.026 5.615 -0.526 395 1HB SER 48 HB2 SER 48 6.505 5.322 -2.351 396 2HB SER 48 HB3 SER 48 4.995 4.582 -2.869 397 HG SER 48 HG SER 48 5.913 5.947 -4.475 398 H ASP 49 H ASP 49 7.067 7.068 -0.859 399 HA ASP 49 HA ASP 49 6.430 9.823 -1.512 400 1HB ASP 49 HB2 ASP 49 7.106 8.932 1.285 401 2HB ASP 49 HB3 ASP 49 7.361 10.588 0.738 402 H GLU 50 H GLU 50 8.976 9.066 0.718 403 HA GLU 50 HA GLU 50 10.948 9.244 -1.456 404 1HB GLU 50 HB2 GLU 50 12.317 10.682 -0.065 405 2HB GLU 50 HB3 GLU 50 10.714 11.384 -0.251 406 1HG GLU 50 HG2 GLU 50 10.090 10.527 1.957 407 2HG GLU 50 HG3 GLU 50 11.720 9.882 2.152 408 H ILE 51 H ILE 51 10.110 8.034 1.718 409 HA ILE 51 HA ILE 51 12.573 6.668 2.192 410 HB ILE 51 HB ILE 51 9.901 6.020 3.424 411 1HG1 ILE 51 2HG1 ILE 51 10.370 8.457 3.535 412 2HG1 ILE 51 3HG1 ILE 51 10.341 7.686 5.113 413 1HG2 ILE 51 2HG2 ILE 51 12.730 5.708 4.415 414 2HG2 ILE 51 1HG2 ILE 51 11.278 5.347 5.349 415 3HG2 ILE 51 3HG2 ILE 51 11.646 4.416 3.898 416 1HD1 ILE 51 3HD1 ILE 51 12.835 8.363 3.573 417 2HD1 ILE 51 2HD1 ILE 51 12.149 9.331 4.880 418 3HD1 ILE 51 1HD1 ILE 51 12.752 7.705 5.207 419 H LEU 52 H LEU 52 9.347 5.219 1.895 420 HA LEU 52 HA LEU 52 10.583 2.966 0.459 421 1HB LEU 52 HB2 LEU 52 8.014 3.117 2.036 422 2HB LEU 52 HB3 LEU 52 8.522 1.717 1.117 423 HG LEU 52 HG LEU 52 9.920 2.866 3.529 424 1HD1 LEU 52 1HD1 LEU 52 7.859 1.681 4.063 425 2HD1 LEU 52 3HD1 LEU 52 8.408 0.289 3.130 426 3HD1 LEU 52 2HD1 LEU 52 9.270 0.764 4.593 427 1HD2 LEU 52 3HD2 LEU 52 10.620 0.468 1.844 428 2HD2 LEU 52 2HD2 LEU 52 11.542 1.967 1.957 429 3HD2 LEU 52 1HD2 LEU 52 11.392 0.916 3.365 430 H GLU 53 H GLU 53 10.268 2.944 -1.678 431 HA GLU 53 HA GLU 53 8.278 4.494 -2.983 432 1HB GLU 53 HB2 GLU 53 10.466 2.713 -3.742 433 2HB GLU 53 HB3 GLU 53 9.078 2.571 -4.811 434 1HG GLU 53 HG2 GLU 53 9.913 5.307 -4.159 435 2HG GLU 53 HG3 GLU 53 11.054 4.358 -5.111 436 H VAL 54 H VAL 54 6.469 3.633 -1.650 437 HA VAL 54 HA VAL 54 5.639 0.930 -2.063 438 HB VAL 54 HB VAL 54 3.657 2.918 -1.108 439 1HG1 VAL 54 2HG1 VAL 54 4.492 0.112 -0.449 440 2HG1 VAL 54 1HG1 VAL 54 3.367 1.017 0.560 441 3HG1 VAL 54 3HG1 VAL 54 2.965 0.682 -1.124 442 1HG2 VAL 54 2HG2 VAL 54 6.089 2.128 0.495 443 2HG2 VAL 54 1HG2 VAL 54 5.647 3.754 -0.024 444 3HG2 VAL 54 3HG2 VAL 54 4.646 2.904 1.151 445 H VAL 55 H VAL 55 5.377 0.622 -4.240 446 HA VAL 55 HA VAL 55 3.388 2.215 -5.644 447 HB VAL 55 HB VAL 55 4.931 -0.153 -6.683 448 1HG1 VAL 55 3HG1 VAL 55 2.862 0.556 -7.886 449 2HG1 VAL 55 2HG1 VAL 55 3.626 2.118 -8.175 450 3HG1 VAL 55 1HG1 VAL 55 4.331 0.654 -8.861 451 1HG2 VAL 55 2HG2 VAL 55 6.504 1.561 -5.935 452 2HG2 VAL 55 1HG2 VAL 55 6.480 1.468 -7.696 453 3HG2 VAL 55 3HG2 VAL 55 5.638 2.779 -6.871 454 H CYS 56 H CYS 56 1.536 1.587 -4.553 455 HA CYS 56 HA CYS 56 0.806 -1.251 -4.779 456 1HB CYS 56 HB2 CYS 56 0.759 -0.666 -2.495 457 2HB CYS 56 HB3 CYS 56 -0.033 0.870 -2.822 458 HG CYS 56 HG CYS 56 -1.749 -0.986 -1.482 459 H LYS 57 H LYS 57 -1.120 -1.865 -5.605 460 HA LYS 57 HA LYS 57 -2.744 0.226 -6.881 461 1HB LYS 57 HB2 LYS 57 -2.389 -2.554 -7.973 462 2HB LYS 57 HB3 LYS 57 -3.088 -1.160 -8.778 463 1HG LYS 57 HG2 LYS 57 -0.898 -0.088 -8.847 464 2HG LYS 57 HG3 LYS 57 -0.190 -1.482 -8.028 465 1HD LYS 57 HD2 LYS 57 -0.858 -2.914 -9.903 466 2HD LYS 57 HD3 LYS 57 -1.546 -1.511 -10.724 467 1HE LYS 57 HE2 LYS 57 1.351 -1.873 -9.968 468 2HE LYS 57 HE3 LYS 57 0.676 -2.053 -11.587 469 1HZ LYS 57 HZ1 LYS 57 0.679 0.449 -9.986 470 2HZ LYS 57 HZ3 LYS 57 1.699 0.112 -11.294 471 3HZ LYS 57 HZ2 LYS 57 0.034 0.275 -11.539 472 H TYR 58 H TYR 58 -4.653 0.321 -5.959 473 HA TYR 58 HA TYR 58 -5.695 -1.931 -4.468 474 1HB TYR 58 HB2 TYR 58 -5.859 0.418 -3.595 475 2HB TYR 58 HB3 TYR 58 -6.959 0.787 -4.919 476 HD1 TYR 58 HD1 TYR 58 -7.241 0.804 -1.745 477 HD2 TYR 58 HD2 TYR 58 -8.581 -1.796 -4.853 478 HE1 TYR 58 HE1 TYR 58 -9.153 0.105 -0.361 479 HE2 TYR 58 HE2 TYR 58 -10.469 -2.515 -3.479 480 HH TYR 58 HH TYR 58 -11.087 -2.587 -1.094 481 H THR 59 H THR 59 -6.542 -3.491 -5.676 482 HA THR 59 HA THR 59 -8.230 -2.764 -7.965 483 HB THR 59 HB THR 59 -7.294 -5.555 -7.300 484 HG1 THR 59 HG1 THR 59 -5.903 -4.142 -9.237 485 1HG2 THR 59 2HG2 THR 59 -8.096 -4.201 -9.882 486 2HG2 THR 59 1HG2 THR 59 -7.575 -5.878 -9.722 487 3HG2 THR 59 3HG2 THR 59 -9.074 -5.345 -8.963 488 HA PRO 60 HA PRO 60 -11.641 -3.941 -5.349 489 1HB PRO 60 HB2 PRO 60 -13.500 -3.208 -7.361 490 2HB PRO 60 HB3 PRO 60 -12.945 -2.227 -6.006 491 1HG PRO 60 HG2 PRO 60 -12.427 -1.722 -8.696 492 2HG PRO 60 HG3 PRO 60 -11.571 -1.008 -7.320 493 1HD PRO 60 HD2 PRO 60 -10.767 -3.270 -9.077 494 2HD PRO 60 HD3 PRO 60 -9.773 -2.022 -8.298 495 H THR 61 H THR 61 -13.568 -5.286 -5.435 496 HA THR 61 HA THR 61 -13.110 -7.838 -6.387 497 HB THR 61 HB THR 61 -14.694 -7.512 -4.629 498 HG1 THR 61 HG1 THR 61 -16.565 -8.294 -6.488 499 1HG2 THR 61 3HG2 THR 61 -16.321 -5.956 -6.639 500 2HG2 THR 61 2HG2 THR 61 -16.897 -6.442 -5.044 501 3HG2 THR 61 1HG2 THR 61 -15.543 -5.321 -5.190 502 HA PRO 62 HA PRO 62 -14.124 -7.866 -10.673 503 1HB PRO 62 HB2 PRO 62 -15.272 -10.551 -10.291 504 2HB PRO 62 HB3 PRO 62 -13.873 -10.056 -11.247 505 1HG PRO 62 HG2 PRO 62 -13.582 -11.440 -8.974 506 2HG PRO 62 HG3 PRO 62 -12.431 -10.174 -9.439 507 1HD PRO 62 HD2 PRO 62 -14.695 -10.041 -7.478 508 2HD PRO 62 HD3 PRO 62 -13.038 -9.421 -7.321 509 H SER 63 H SER 63 -15.997 -8.626 -12.171 510 HA SER 63 HA SER 63 -18.303 -7.169 -11.452 511 1HB SER 63 HB2 SER 63 -17.908 -9.174 -13.685 512 2HB SER 63 HB3 SER 63 -19.263 -8.054 -13.554 513 HG SER 63 HG SER 63 -18.008 -6.440 -14.136 514 H SER 64 H SER 64 -20.555 -8.293 -11.862 515 HA SER 64 HA SER 64 -20.940 -10.078 -9.678 516 1HB SER 64 HB2 SER 64 -22.647 -8.434 -10.300 517 2HB SER 64 HB3 SER 64 -22.862 -9.230 -11.859 518 HG SER 64 HG SER 64 -23.212 -11.150 -10.238 519 H THR 65 H THR 65 -20.735 -10.462 -13.162 520 HA THR 65 HA THR 65 -21.524 -13.243 -13.064 521 HB THR 65 HB THR 65 -21.022 -13.248 -15.488 522 HG1 THR 65 HG1 THR 65 -20.477 -11.188 -16.432 523 1HG2 THR 65 3HG2 THR 65 -23.248 -12.592 -14.718 524 2HG2 THR 65 2HG2 THR 65 -22.714 -10.917 -14.572 525 3HG2 THR 65 1HG2 THR 65 -22.791 -11.684 -16.159 526 HA PRO 66 HA PRO 66 -17.466 -14.946 -12.634 527 1HB PRO 66 HB2 PRO 66 -17.735 -17.330 -13.823 528 2HB PRO 66 HB3 PRO 66 -18.624 -16.943 -12.342 529 1HG PRO 66 HG2 PRO 66 -19.555 -16.797 -15.199 530 2HG PRO 66 HG3 PRO 66 -20.363 -17.555 -13.811 531 1HD PRO 66 HD2 PRO 66 -21.012 -15.083 -14.692 532 2HD PRO 66 HD3 PRO 66 -21.081 -15.519 -12.971 533 H MET 67 H MET 67 -18.337 -13.498 -15.270 534 HA MET 67 HA MET 67 -16.366 -14.621 -17.104 535 1HB MET 67 HB2 MET 67 -18.352 -12.381 -17.498 536 2HB MET 67 HB3 MET 67 -17.293 -13.028 -18.743 537 1HG MET 67 HG2 MET 67 -18.391 -15.197 -18.560 538 2HG MET 67 HG3 MET 67 -19.446 -14.559 -17.300 539 1HE MET 67 HE3 MET 67 -18.205 -12.739 -20.568 540 2HE MET 67 HE2 MET 67 -18.456 -14.404 -21.091 541 3HE MET 67 HE1 MET 67 -19.514 -13.125 -21.686 542 H VAL 68 H VAL 68 -17.212 -11.246 -16.587 543 HA VAL 68 HA VAL 68 -14.597 -10.300 -17.025 544 HB VAL 68 HB VAL 68 -16.899 -8.924 -15.629 545 1HG1 VAL 68 2HG1 VAL 68 -14.353 -7.796 -16.789 546 2HG1 VAL 68 1HG1 VAL 68 -15.719 -6.839 -16.217 547 3HG1 VAL 68 3HG1 VAL 68 -14.807 -7.836 -15.084 548 1HG2 VAL 68 2HG2 VAL 68 -17.446 -9.617 -17.902 549 2HG2 VAL 68 1HG2 VAL 68 -17.295 -7.863 -17.798 550 3HG2 VAL 68 3HG2 VAL 68 -15.993 -8.819 -18.504 551 H GLY 69 H GLY 69 -12.881 -10.394 -15.742 552 1HA GLY 69 HA3 GLY 69 -11.972 -11.353 -13.681 553 2HA GLY 69 HA2 GLY 69 -13.325 -10.625 -12.830 554 H VAL 70 H VAL 70 -12.320 -9.264 -11.450 555 HA VAL 70 HA VAL 70 -10.520 -7.255 -12.625 556 HB VAL 70 HB VAL 70 -12.430 -6.814 -10.334 557 1HG1 VAL 70 1HG1 VAL 70 -10.608 -4.926 -11.823 558 2HG1 VAL 70 3HG1 VAL 70 -11.828 -4.434 -10.649 559 3HG1 VAL 70 2HG1 VAL 70 -10.464 -5.428 -10.139 560 1HG2 VAL 70 1HG2 VAL 70 -12.592 -5.883 -13.201 561 2HG2 VAL 70 3HG2 VAL 70 -13.636 -7.079 -12.432 562 3HG2 VAL 70 2HG2 VAL 70 -13.681 -5.398 -11.901 563 H GLY 71 H GLY 71 -11.239 -7.360 -9.249 564 1HA GLY 71 HA3 GLY 71 -8.787 -7.167 -8.218 565 2HA GLY 71 HA2 GLY 71 -8.861 -8.879 -8.588 566 H GLY 72 H GLY 72 -9.731 -6.398 -6.397 567 1HA GLY 72 HA3 GLY 72 -11.409 -8.276 -4.866 568 2HA GLY 72 HA2 GLY 72 -11.440 -6.528 -4.694 569 H ILE 73 H ILE 73 -8.391 -6.624 -4.878 570 HA ILE 73 HA ILE 73 -7.979 -7.153 -2.034 571 HB ILE 73 HB ILE 73 -5.746 -8.108 -2.524 572 1HG1 ILE 73 2HG1 ILE 73 -6.661 -8.719 -5.299 573 2HG1 ILE 73 3HG1 ILE 73 -5.846 -7.193 -4.959 574 1HG2 ILE 73 1HG2 ILE 73 -7.689 -9.498 -1.944 575 2HG2 ILE 73 3HG2 ILE 73 -7.980 -9.747 -3.667 576 3HG2 ILE 73 2HG2 ILE 73 -6.486 -10.332 -2.928 577 1HD1 ILE 73 2HD1 ILE 73 -3.953 -8.452 -4.015 578 2HD1 ILE 73 1HD1 ILE 73 -4.760 -9.955 -4.467 579 3HD1 ILE 73 3HD1 ILE 73 -4.245 -8.820 -5.717 580 H TYR 74 H TYR 74 -5.307 -6.624 -1.900 581 HA TYR 74 HA TYR 74 -4.946 -3.951 -3.047 582 1HB TYR 74 HB2 TYR 74 -4.110 -4.454 -0.219 583 2HB TYR 74 HB3 TYR 74 -4.576 -2.942 -0.996 584 HD1 TYR 74 HD1 TYR 74 -5.937 -6.133 0.340 585 HD2 TYR 74 HD2 TYR 74 -6.782 -2.130 -0.818 586 HE1 TYR 74 HE1 TYR 74 -8.177 -6.333 1.317 587 HE2 TYR 74 HE2 TYR 74 -9.031 -2.327 0.165 588 HH TYR 74 HH TYR 74 -10.644 -4.085 0.737 589 H VAL 75 H VAL 75 -3.275 -4.508 -4.410 590 HA VAL 75 HA VAL 75 -1.113 -6.167 -3.380 591 HB VAL 75 HB VAL 75 -1.839 -6.737 -5.600 592 1HG1 VAL 75 1HG1 VAL 75 -1.203 -3.891 -6.347 593 2HG1 VAL 75 3HG1 VAL 75 -1.596 -5.175 -7.487 594 3HG1 VAL 75 2HG1 VAL 75 -2.799 -4.643 -6.313 595 1HG2 VAL 75 3HG2 VAL 75 0.533 -6.997 -5.125 596 2HG2 VAL 75 2HG2 VAL 75 0.276 -6.582 -6.820 597 3HG2 VAL 75 1HG2 VAL 75 0.838 -5.353 -5.687 598 H VAL 76 H VAL 76 0.400 -5.218 -2.261 599 HA VAL 76 HA VAL 76 1.155 -2.446 -2.896 600 HB VAL 76 HB VAL 76 1.692 -4.009 -0.373 601 1HG1 VAL 76 1HG1 VAL 76 2.049 -1.090 -1.027 602 2HG1 VAL 76 3HG1 VAL 76 2.252 -1.810 0.571 603 3HG1 VAL 76 2HG1 VAL 76 3.330 -2.271 -0.748 604 1HG2 VAL 76 3HG2 VAL 76 -0.716 -3.571 -0.779 605 2HG2 VAL 76 2HG2 VAL 76 -0.083 -2.759 0.654 606 3HG2 VAL 76 1HG2 VAL 76 -0.355 -1.846 -0.830 607 H LEU 77 H LEU 77 3.059 -2.056 -3.848 608 HA LEU 77 HA LEU 77 5.201 -4.063 -3.603 609 1HB LEU 77 HB2 LEU 77 4.656 -2.023 -5.755 610 2HB LEU 77 HB3 LEU 77 6.154 -2.926 -5.651 611 HG LEU 77 HG LEU 77 3.387 -4.085 -6.073 612 1HD1 LEU 77 2HD1 LEU 77 4.249 -2.919 -8.033 613 2HD1 LEU 77 1HD1 LEU 77 5.745 -3.849 -7.938 614 3HD1 LEU 77 3HD1 LEU 77 4.221 -4.663 -8.295 615 1HD2 LEU 77 3HD2 LEU 77 5.160 -5.427 -4.743 616 2HD2 LEU 77 2HD2 LEU 77 4.303 -6.208 -6.074 617 3HD2 LEU 77 1HD2 LEU 77 5.945 -5.611 -6.312 618 H VAL 78 H VAL 78 6.180 -3.325 -1.741 619 HA VAL 78 HA VAL 78 6.879 -0.490 -1.606 620 HB VAL 78 HB VAL 78 7.870 -2.191 0.564 621 1HG1 VAL 78 1HG1 VAL 78 7.827 0.297 0.546 622 2HG1 VAL 78 3HG1 VAL 78 6.062 0.237 0.559 623 3HG1 VAL 78 2HG1 VAL 78 6.982 -0.403 1.923 624 1HG2 VAL 78 1HG2 VAL 78 5.830 -3.427 0.053 625 2HG2 VAL 78 3HG2 VAL 78 5.675 -2.559 1.580 626 3HG2 VAL 78 2HG2 VAL 78 4.897 -1.932 0.127 627 H LYS 79 H LYS 79 8.636 0.121 -2.614 628 HA LYS 79 HA LYS 79 10.958 -1.677 -2.686 629 1HB LYS 79 HB2 LYS 79 9.886 0.377 -4.554 630 2HB LYS 79 HB3 LYS 79 11.626 0.130 -4.515 631 1HG LYS 79 HG2 LYS 79 11.247 -2.279 -4.945 632 2HG LYS 79 HG3 LYS 79 9.511 -1.943 -5.115 633 1HD LYS 79 HD2 LYS 79 11.582 -0.506 -6.760 634 2HD LYS 79 HD3 LYS 79 10.929 -2.069 -7.252 635 1HE LYS 79 HE2 LYS 79 9.663 -0.376 -8.356 636 2HE LYS 79 HE3 LYS 79 8.643 -1.079 -7.104 637 1HZ LYS 79 HZ2 LYS 79 10.175 1.435 -6.747 638 2HZ LYS 79 HZ1 LYS 79 8.559 1.383 -7.243 639 3HZ LYS 79 HZ3 LYS 79 8.994 0.799 -5.717 640 HA PRO 80 HA PRO 80 12.484 1.145 0.550 641 1HB PRO 80 HB2 PRO 80 14.863 -0.550 -0.060 642 2HB PRO 80 HB3 PRO 80 14.197 -0.067 1.504 643 1HG PRO 80 HG2 PRO 80 13.794 -2.522 0.551 644 2HG PRO 80 HG3 PRO 80 12.519 -1.662 1.429 645 1HD PRO 80 HD2 PRO 80 12.774 -2.205 -1.484 646 2HD PRO 80 HD3 PRO 80 11.318 -2.056 -0.483 647 H ARG 81 H ARG 81 12.612 3.073 -0.582 648 HA ARG 81 HA ARG 81 14.411 3.538 -2.721 649 1HB ARG 81 HB2 ARG 81 12.388 4.983 -1.312 650 2HB ARG 81 HB3 ARG 81 13.828 5.986 -1.412 651 1HG ARG 81 HG2 ARG 81 13.862 5.738 -3.820 652 2HG ARG 81 HG3 ARG 81 12.477 4.646 -3.743 653 1HD ARG 81 HD2 ARG 81 11.084 6.411 -2.873 654 2HD ARG 81 HD3 ARG 81 12.460 7.513 -2.814 655 HE ARG 81 HE ARG 81 11.932 6.454 -5.435 656 1HH1 ARG 81 1HH1 ARG 81 11.155 8.965 -3.148 657 2HH1 ARG 81 2HH1 ARG 81 10.620 10.081 -4.359 658 1HH2 ARG 81 1HH2 ARG 81 11.230 7.917 -7.037 659 2HH2 ARG 81 2HH2 ARG 81 10.662 9.485 -6.570 660 H LYS 82 H LYS 82 14.647 3.803 0.750 661 HA LYS 82 HA LYS 82 17.438 4.701 0.457 662 1HB LYS 82 HB2 LYS 82 15.602 5.259 2.791 663 2HB LYS 82 HB3 LYS 82 17.246 5.846 2.592 664 1HG LYS 82 HG2 LYS 82 16.513 7.115 0.603 665 2HG LYS 82 HG3 LYS 82 14.858 6.587 0.916 666 1HD LYS 82 HD2 LYS 82 14.921 7.676 3.103 667 2HD LYS 82 HD3 LYS 82 16.575 8.206 2.794 668 1HE LYS 82 HE2 LYS 82 15.790 9.493 0.858 669 2HE LYS 82 HE3 LYS 82 14.137 8.982 1.198 670 1HZ LYS 82 HZ3 LYS 82 15.848 10.586 3.020 671 2HZ LYS 82 HZ2 LYS 82 14.593 11.195 2.064 672 3HZ LYS 82 HZ1 LYS 82 14.251 10.116 3.320 673 H ARG 83 H ARG 83 18.762 4.108 2.470 674 HA ARG 83 HA ARG 83 18.088 1.349 3.258 675 1HB ARG 83 HB2 ARG 83 20.826 2.594 2.947 676 2HB ARG 83 HB3 ARG 83 20.497 0.929 3.407 677 1HG ARG 83 HG2 ARG 83 19.583 0.441 1.255 678 2HG ARG 83 HG3 ARG 83 19.658 2.141 0.785 679 1HD ARG 83 HD2 ARG 83 22.096 2.078 0.952 680 2HD ARG 83 HD3 ARG 83 22.021 0.378 1.415 681 HE ARG 83 HE ARG 83 20.692 0.703 -1.030 682 1HH1 ARG 83 1HH1 ARG 83 23.911 0.854 0.297 683 2HH1 ARG 83 2HH1 ARG 83 24.682 0.402 -1.186 684 1HH2 ARG 83 1HH2 ARG 83 21.699 0.107 -2.987 685 2HH2 ARG 83 2HH2 ARG 83 23.426 -0.023 -3.053 686 H GLY 84 H GLY 84 17.864 0.936 5.368 687 1HA GLY 84 HA3 GLY 84 18.621 3.064 7.261 688 2HA GLY 84 HA2 GLY 84 19.083 1.399 7.581 689 H HIS 85 H HIS 85 17.413 3.132 9.204 690 HA HIS 85 HA HIS 85 15.349 1.296 9.806 691 1HB HIS 85 HB2 HIS 85 16.356 2.774 11.493 692 2HB HIS 85 HB3 HIS 85 15.642 4.168 10.693 693 HD1 HIS 85 HD1 HIS 85 13.266 4.749 11.283 694 HD2 HIS 85 HD2 HIS 85 14.433 1.047 12.764 695 HE1 HIS 85 HE1 HIS 85 11.407 4.020 12.810 696 HE2 HIS 85 HE2 HIS 85 12.175 1.818 13.762 697 H HIS 86 H HIS 86 13.760 0.946 8.445 698 HA HIS 86 HA HIS 86 12.132 3.216 7.562 699 1HB HIS 86 HB2 HIS 86 13.048 0.966 5.753 700 2HB HIS 86 HB3 HIS 86 11.896 2.225 5.313 701 HD1 HIS 86 HD1 HIS 86 13.437 4.654 6.498 702 HD2 HIS 86 HD2 HIS 86 15.131 1.698 4.122 703 HE1 HIS 86 HE1 HIS 86 15.486 5.700 5.484 704 HE2 HIS 86 HE2 HIS 86 16.545 3.862 4.125 705 H THR 87 H THR 87 9.942 2.562 6.872 706 HA THR 87 HA THR 87 9.034 -0.083 7.551 707 HB THR 87 HB THR 87 8.159 2.237 9.279 708 HG1 THR 87 HG1 THR 87 9.694 -0.097 9.846 709 1HG2 THR 87 3HG2 THR 87 6.333 0.671 8.777 710 2HG2 THR 87 2HG2 THR 87 7.331 -0.666 9.348 711 3HG2 THR 87 1HG2 THR 87 6.814 0.591 10.472 712 H LEU 88 H LEU 88 6.940 -0.519 6.860 713 HA LEU 88 HA LEU 88 5.721 1.573 5.186 714 1HB LEU 88 HB2 LEU 88 6.569 -0.598 4.129 715 2HB LEU 88 HB3 LEU 88 5.260 -1.389 4.967 716 HG LEU 88 HG LEU 88 5.217 -0.006 2.456 717 1HD1 LEU 88 3HD1 LEU 88 3.176 -1.607 3.970 718 2HD1 LEU 88 2HD1 LEU 88 3.053 -1.144 2.272 719 3HD1 LEU 88 1HD1 LEU 88 4.345 -2.221 2.801 720 1HD2 LEU 88 3HD2 LEU 88 4.449 1.928 3.717 721 2HD2 LEU 88 2HD2 LEU 88 3.166 1.255 2.713 722 3HD2 LEU 88 1HD2 LEU 88 3.179 0.947 4.448 723 H GLU 89 H GLU 89 4.250 2.526 6.482 724 HA GLU 89 HA GLU 89 2.675 1.058 8.370 725 1HB GLU 89 HB2 GLU 89 2.564 3.925 7.440 726 2HB GLU 89 HB3 GLU 89 1.591 3.268 8.748 727 1HG GLU 89 HG2 GLU 89 3.518 2.808 10.048 728 2HG GLU 89 HG3 GLU 89 4.591 3.229 8.716 729 H LEU 90 H LEU 90 0.986 -0.134 7.827 730 HA LEU 90 HA LEU 90 -0.836 0.894 5.749 731 1HB LEU 90 HB2 LEU 90 -0.401 -2.016 6.426 732 2HB LEU 90 HB3 LEU 90 -1.424 -1.375 5.157 733 HG LEU 90 HG LEU 90 1.586 -1.365 5.262 734 1HD1 LEU 90 2HD1 LEU 90 0.485 -3.444 4.533 735 2HD1 LEU 90 1HD1 LEU 90 -0.354 -2.539 3.275 736 3HD1 LEU 90 3HD1 LEU 90 1.404 -2.678 3.239 737 1HD2 LEU 90 2HD2 LEU 90 0.676 0.800 4.420 738 2HD2 LEU 90 1HD2 LEU 90 1.605 -0.110 3.231 739 3HD2 LEU 90 3HD2 LEU 90 -0.156 -0.102 3.156 740 H VAL 91 H VAL 91 -3.089 0.529 6.112 741 HA VAL 91 HA VAL 91 -3.895 -0.467 8.713 742 HB VAL 91 HB VAL 91 -3.262 1.818 9.247 743 1HG1 VAL 91 2HG1 VAL 91 -5.178 2.599 7.052 744 2HG1 VAL 91 1HG1 VAL 91 -4.464 3.722 8.212 745 3HG1 VAL 91 3HG1 VAL 91 -3.429 2.847 7.083 746 1HG2 VAL 91 2HG2 VAL 91 -6.243 1.389 9.189 747 2HG2 VAL 91 1HG2 VAL 91 -5.125 0.956 10.482 748 3HG2 VAL 91 3HG2 VAL 91 -5.435 2.652 10.116 749 H TYR 92 H TYR 92 -6.147 -0.753 8.930 750 HA TYR 92 HA TYR 92 -7.608 -0.849 6.386 751 1HB TYR 92 HB2 TYR 92 -7.292 -2.900 7.926 752 2HB TYR 92 HB3 TYR 92 -8.468 -2.124 8.980 753 HD1 TYR 92 HD1 TYR 92 -10.376 -3.437 8.864 754 HD2 TYR 92 HD2 TYR 92 -8.392 -2.363 5.257 755 HE1 TYR 92 HE1 TYR 92 -12.200 -4.452 7.566 756 HE2 TYR 92 HE2 TYR 92 -10.212 -3.374 3.948 757 HH TYR 92 HH TYR 92 -13.179 -4.288 5.326 758 H THR 93 H THR 93 -8.327 1.269 6.223 759 HA THR 93 HA THR 93 -10.160 2.187 8.350 760 HB THR 93 HB THR 93 -8.114 3.500 8.400 761 HG1 THR 93 HG1 THR 93 -9.837 5.283 7.130 762 1HG2 THR 93 2HG2 THR 93 -8.624 3.636 5.465 763 2HG2 THR 93 1HG2 THR 93 -7.860 5.021 6.252 764 3HG2 THR 93 3HG2 THR 93 -7.106 3.429 6.340 765 H ARG 94 H ARG 94 -11.711 3.851 7.625 766 HA ARG 94 HA ARG 94 -12.753 3.199 4.965 767 1HB ARG 94 HB2 ARG 94 -14.076 4.710 7.229 768 2HB ARG 94 HB3 ARG 94 -14.847 4.196 5.735 769 1HG ARG 94 HG2 ARG 94 -14.459 1.850 6.370 770 2HG ARG 94 HG3 ARG 94 -13.764 2.403 7.895 771 1HD ARG 94 HD2 ARG 94 -16.094 1.741 8.180 772 2HD ARG 94 HD3 ARG 94 -15.877 3.464 8.487 773 HE ARG 94 HE ARG 94 -16.596 3.129 5.804 774 1HH1 ARG 94 1HH1 ARG 94 -17.963 2.740 8.985 775 2HH1 ARG 94 2HH1 ARG 94 -19.588 3.039 8.464 776 1HH2 ARG 94 1HH2 ARG 94 -18.731 3.525 5.109 777 2HH2 ARG 94 2HH2 ARG 94 -20.023 3.485 6.261 778 HA PRO 95 HA PRO 95 -10.544 7.049 3.798 779 1HB PRO 95 HB2 PRO 95 -12.065 6.284 1.338 780 2HB PRO 95 HB3 PRO 95 -10.403 6.866 1.496 781 1HG PRO 95 HG2 PRO 95 -10.895 4.278 1.111 782 2HG PRO 95 HG3 PRO 95 -9.615 4.801 2.217 783 1HD PRO 95 HD2 PRO 95 -12.293 3.672 2.825 784 2HD PRO 95 HD3 PRO 95 -10.774 3.537 3.726 785 H PHE 96 H PHE 96 -13.937 6.287 3.013 786 HA PHE 96 HA PHE 96 -14.620 9.073 2.772 787 1HB PHE 96 HB2 PHE 96 -16.226 6.526 2.610 788 2HB PHE 96 HB3 PHE 96 -16.898 8.125 2.366 789 HD1 PHE 96 HD1 PHE 96 -14.511 5.663 1.037 790 HD2 PHE 96 HD2 PHE 96 -16.645 9.273 0.313 791 HE1 PHE 96 HE1 PHE 96 -13.866 5.562 -1.334 792 HE2 PHE 96 HE2 PHE 96 -16.004 9.179 -2.062 793 HZ PHE 96 HZ PHE 96 -14.613 7.322 -2.888 794 H GLU 97 H GLU 97 -13.806 7.689 5.427 795 HA GLU 97 HA GLU 97 -15.814 9.050 7.026 796 1HB GLU 97 HB2 GLU 97 -15.287 6.090 7.231 797 2HB GLU 97 HB3 GLU 97 -15.991 7.015 8.550 798 1HG GLU 97 HG2 GLU 97 -17.172 6.864 5.789 799 2HG GLU 97 HG3 GLU 97 -17.631 5.806 7.122 800 H GLY 98 H GLY 98 -12.660 8.410 6.408 801 1HA GLY 98 HA3 GLY 98 -11.841 9.497 8.972 802 2HA GLY 98 HA2 GLY 98 -10.810 9.246 7.570 803 H ILE 99 H ILE 99 -9.589 8.585 9.730 804 HA ILE 99 HA ILE 99 -9.739 5.652 9.810 805 HB ILE 99 HB ILE 99 -7.347 7.255 10.650 806 1HG1 ILE 99 2HG1 ILE 99 -7.863 6.210 7.859 807 2HG1 ILE 99 3HG1 ILE 99 -8.081 7.895 8.321 808 1HG2 ILE 99 1HG2 ILE 99 -7.963 4.417 9.996 809 2HG2 ILE 99 3HG2 ILE 99 -6.343 5.027 9.653 810 3HG2 ILE 99 2HG2 ILE 99 -6.978 5.090 11.297 811 1HD1 ILE 99 1HD1 ILE 99 -5.710 8.041 8.890 812 2HD1 ILE 99 3HD1 ILE 99 -5.494 6.355 8.422 813 3HD1 ILE 99 2HD1 ILE 99 -5.949 7.555 7.211 814 H LYS 100 H LYS 100 -9.415 4.545 11.761 815 HA LYS 100 HA LYS 100 -9.776 6.135 14.209 816 1HB LYS 100 HB2 LYS 100 -11.105 3.488 13.622 817 2HB LYS 100 HB3 LYS 100 -11.335 4.482 15.042 818 1HG LYS 100 HG2 LYS 100 -12.371 6.217 13.694 819 2HG LYS 100 HG3 LYS 100 -12.099 5.257 12.238 820 1HD LYS 100 HD2 LYS 100 -13.419 3.570 14.055 821 2HD LYS 100 HD3 LYS 100 -14.257 5.122 14.125 822 1HE LYS 100 HE2 LYS 100 -14.491 5.101 11.688 823 2HE LYS 100 HE3 LYS 100 -13.660 3.548 11.624 824 1HZ LYS 100 HZ2 LYS 100 -15.446 2.580 12.934 825 2HZ LYS 100 HZ1 LYS 100 -16.245 4.069 12.990 826 3HZ LYS 100 HZ3 LYS 100 -16.052 3.267 11.512 827 HA PRO 101 HA PRO 101 -6.590 3.669 16.017 828 1HB PRO 101 HB2 PRO 101 -8.023 3.246 18.507 829 2HB PRO 101 HB3 PRO 101 -6.663 4.318 18.184 830 1HG PRO 101 HG2 PRO 101 -9.181 5.202 18.730 831 2HG PRO 101 HG3 PRO 101 -8.016 6.101 17.746 832 1HD PRO 101 HD2 PRO 101 -10.332 4.418 16.876 833 2HD PRO 101 HD3 PRO 101 -9.749 5.960 16.219 834 H GLU 102 H GLU 102 -9.825 2.366 16.683 835 HA GLU 102 HA GLU 102 -9.037 -0.248 17.308 836 1HB GLU 102 HB2 GLU 102 -11.397 -0.849 16.730 837 2HB GLU 102 HB3 GLU 102 -11.231 0.460 17.895 838 1HG GLU 102 HG2 GLU 102 -11.589 2.081 16.118 839 2HG GLU 102 HG3 GLU 102 -11.770 0.768 14.959 840 H ASN 103 H ASN 103 -9.351 1.387 14.288 841 HA ASN 103 HA ASN 103 -9.813 -0.624 12.475 842 1HB ASN 103 HB2 ASN 103 -8.020 1.791 12.316 843 2HB ASN 103 HB3 ASN 103 -8.263 0.721 10.940 844 1HD2 ASN 103 1HD2 ASN 103 -10.859 1.175 13.162 845 2HD2 ASN 103 2HD2 ASN 103 -11.825 2.192 12.155 846 H GLU 104 H GLU 104 -8.522 -2.059 11.280 847 HA GLU 104 HA GLU 104 -6.573 -3.447 12.721 848 1HB GLU 104 HB2 GLU 104 -7.805 -3.585 10.072 849 2HB GLU 104 HB3 GLU 104 -6.170 -4.214 10.134 850 1HG GLU 104 HG2 GLU 104 -7.522 -6.057 10.566 851 2HG GLU 104 HG3 GLU 104 -6.946 -5.556 12.152 852 H ARG 105 H ARG 105 -4.359 -3.942 11.863 853 HA ARG 105 HA ARG 105 -3.050 -1.570 10.715 854 1HB ARG 105 HB2 ARG 105 -2.793 -1.439 13.140 855 2HB ARG 105 HB3 ARG 105 -2.178 -3.081 13.187 856 1HG ARG 105 HG2 ARG 105 -0.198 -1.978 13.290 857 2HG ARG 105 HG3 ARG 105 -0.383 -2.050 11.533 858 1HD ARG 105 HD2 ARG 105 0.213 0.191 12.142 859 2HD ARG 105 HD3 ARG 105 -1.463 0.174 11.588 860 HE ARG 105 HE ARG 105 -1.491 -0.153 14.348 861 1HH1 ARG 105 1HH1 ARG 105 -0.567 2.270 12.019 862 2HH1 ARG 105 2HH1 ARG 105 -0.894 3.600 13.079 863 1HH2 ARG 105 1HH2 ARG 105 -1.924 1.594 15.752 864 2HH2 ARG 105 2HH2 ARG 105 -1.665 3.217 15.201 865 H TYR 106 H TYR 106 -0.864 -2.008 9.932 866 HA TYR 106 HA TYR 106 0.242 -4.592 9.745 867 1HB TYR 106 HB2 TYR 106 -1.678 -4.854 8.148 868 2HB TYR 106 HB3 TYR 106 -0.948 -3.599 7.147 869 HD1 TYR 106 HD1 TYR 106 -0.974 -7.066 8.059 870 HD2 TYR 106 HD2 TYR 106 1.336 -4.056 6.140 871 HE1 TYR 106 HE1 TYR 106 0.363 -8.801 6.963 872 HE2 TYR 106 HE2 TYR 106 2.685 -5.788 5.035 873 HH TYR 106 HH TYR 106 3.291 -8.151 5.382 874 H THR 107 H THR 107 1.908 -3.243 10.545 875 HA THR 107 HA THR 107 3.038 -1.296 8.677 876 HB THR 107 HB THR 107 4.451 -1.653 11.212 877 HG1 THR 107 HG1 THR 107 1.665 -1.163 11.165 878 1HG2 THR 107 2HG2 THR 107 4.607 0.263 9.557 879 2HG2 THR 107 1HG2 THR 107 3.026 0.775 10.143 880 3HG2 THR 107 3HG2 THR 107 4.398 0.716 11.249 881 H LEU 108 H LEU 108 4.061 -2.571 7.139 882 HA LEU 108 HA LEU 108 5.724 -4.776 7.765 883 1HB LEU 108 HB2 LEU 108 4.707 -4.386 5.535 884 2HB LEU 108 HB3 LEU 108 5.779 -3.025 5.311 885 HG LEU 108 HG LEU 108 7.720 -4.553 5.435 886 1HD1 LEU 108 1HD1 LEU 108 5.611 -6.707 5.457 887 2HD1 LEU 108 3HD1 LEU 108 7.346 -6.963 5.264 888 3HD1 LEU 108 2HD1 LEU 108 6.712 -6.316 6.779 889 1HD2 LEU 108 3HD2 LEU 108 6.732 -3.894 3.285 890 2HD2 LEU 108 2HD2 LEU 108 7.430 -5.513 3.232 891 3HD2 LEU 108 1HD2 LEU 108 5.682 -5.309 3.347 892 H HIS 109 H HIS 109 7.044 -3.968 9.470 893 HA HIS 109 HA HIS 109 8.813 -1.775 9.102 894 1HB HIS 109 HB2 HIS 109 8.517 -3.930 11.131 895 2HB HIS 109 HB3 HIS 109 9.993 -2.972 11.106 896 HD1 HIS 109 HD1 HIS 109 9.863 -0.589 11.977 897 HD2 HIS 109 HD2 HIS 109 6.167 -2.478 11.800 898 HE1 HIS 109 HE1 HIS 109 8.275 0.930 13.197 899 HE2 HIS 109 HE2 HIS 109 6.062 -0.277 13.154 900 H LEU 110 H LEU 110 10.854 -1.689 8.425 901 HA LEU 110 HA LEU 110 12.265 -4.131 7.691 902 1HB LEU 110 HB2 LEU 110 11.678 -1.882 5.767 903 2HB LEU 110 HB3 LEU 110 12.770 -3.212 5.440 904 HG LEU 110 HG LEU 110 9.791 -3.459 5.920 905 1HD1 LEU 110 1HD1 LEU 110 10.293 -2.368 3.803 906 2HD1 LEU 110 3HD1 LEU 110 11.396 -3.677 3.377 907 3HD1 LEU 110 2HD1 LEU 110 9.669 -3.997 3.540 908 1HD2 LEU 110 1HD2 LEU 110 11.189 -5.414 6.628 909 2HD2 LEU 110 3HD2 LEU 110 10.008 -5.760 5.366 910 3HD2 LEU 110 2HD2 LEU 110 11.709 -5.563 4.951 911 H ASN 111 H ASN 111 14.112 -3.890 8.801 912 HA ASN 111 HA ASN 111 15.323 -1.280 9.140 913 1HB ASN 111 HB2 ASN 111 15.305 -2.977 10.980 914 2HB ASN 111 HB3 ASN 111 16.357 -3.992 10.003 915 1HD2 ASN 111 1HD2 ASN 111 18.009 -3.949 11.500 916 2HD2 ASN 111 2HD2 ASN 111 18.975 -2.543 11.775 917 H VAL 112 H VAL 112 15.187 -1.589 6.601 918 HA VAL 112 HA VAL 112 16.732 -3.026 4.979 919 HB VAL 112 HB VAL 112 16.873 -0.054 4.627 920 1HG1 VAL 112 2HG1 VAL 112 17.858 -1.538 2.944 921 2HG1 VAL 112 1HG1 VAL 112 16.290 -2.318 2.732 922 3HG1 VAL 112 3HG1 VAL 112 16.497 -0.622 2.298 923 1HG2 VAL 112 2HG2 VAL 112 14.392 -1.749 4.486 924 2HG2 VAL 112 1HG2 VAL 112 14.651 -0.271 5.411 925 3HG2 VAL 112 3HG2 VAL 112 14.548 -0.204 3.652 926 H LYS 113 H LYS 113 18.837 -3.330 4.471 927 HA LYS 113 HA LYS 113 20.832 -2.379 6.294 928 1HB LYS 113 HB2 LYS 113 21.096 -4.020 3.770 929 2HB LYS 113 HB3 LYS 113 22.383 -3.737 4.932 930 1HG LYS 113 HG2 LYS 113 19.830 -4.947 5.874 931 2HG LYS 113 HG3 LYS 113 20.982 -5.944 4.984 932 1HD LYS 113 HD2 LYS 113 21.566 -6.270 7.222 933 2HD LYS 113 HD3 LYS 113 22.728 -5.073 6.649 934 1HE LYS 113 HE2 LYS 113 21.428 -3.289 7.654 935 2HE LYS 113 HE3 LYS 113 20.196 -4.443 8.161 936 1HZ LYS 113 HZ1 LYS 113 21.836 -5.514 9.578 937 2HZ LYS 113 HZ3 LYS 113 23.017 -4.402 9.091 938 3HZ LYS 113 HZ2 LYS 113 21.677 -3.878 9.979 No H/Q in entry = 938 Start of MODEL 27 1 H1 GLY -2 HT2 GLY -2 -14.915 5.251 27.204 2 H2 GLY -2 HT1 GLY -2 -16.562 5.630 27.136 3 H3 GLY -2 HT3 GLY -2 -15.656 6.033 28.507 4 1HA GLY -2 HA2 GLY -2 -17.025 4.101 28.949 5 2HA GLY -2 HA3 GLY -2 -15.313 3.707 29.022 6 H SER -1 H SER -1 -14.439 3.126 26.690 7 HA SER -1 HA SER -1 -16.191 0.979 25.731 8 1HB SER -1 HB2 SER -1 -16.472 2.828 24.150 9 2HB SER -1 HB3 SER -1 -14.724 2.931 23.939 10 HG SER -1 HG SER -1 -16.405 1.432 22.594 11 H HIS 0 H HIS 0 -15.163 -0.903 25.718 12 HA HIS 0 HA HIS 0 -12.317 -1.007 26.176 13 1HB HIS 0 HB2 HIS 0 -14.331 -3.234 25.798 14 2HB HIS 0 HB3 HIS 0 -12.663 -3.446 26.321 15 HD1 HIS 0 HD1 HIS 0 -12.159 -3.101 28.769 16 HD2 HIS 0 HD2 HIS 0 -16.014 -1.945 27.733 17 HE1 HIS 0 HE1 HIS 0 -13.335 -2.654 30.946 18 HE2 HIS 0 HE2 HIS 0 -15.690 -2.038 30.298 19 H MET 1 H MET 1 -10.859 -2.322 24.883 20 HA MET 1 HA MET 1 -11.652 -2.587 22.067 21 1HB MET 1 HB2 MET 1 -9.096 -1.315 23.058 22 2HB MET 1 HB3 MET 1 -9.459 -1.677 21.377 23 1HG MET 1 HG2 MET 1 -11.348 -0.132 21.451 24 2HG MET 1 HG3 MET 1 -10.983 0.231 23.137 25 1HE MET 1 HE1 MET 1 -10.937 2.827 22.565 26 2HE MET 1 HE3 MET 1 -9.946 3.528 21.284 27 3HE MET 1 HE2 MET 1 -11.294 2.467 20.876 28 H ILE 2 H ILE 2 -10.016 -3.883 20.811 29 HA ILE 2 HA ILE 2 -9.210 -6.183 22.436 30 HB ILE 2 HB ILE 2 -9.445 -5.950 19.430 31 1HG1 ILE 2 2HG1 ILE 2 -11.396 -7.601 19.933 32 2HG1 ILE 2 3HG1 ILE 2 -11.322 -6.932 21.560 33 1HG2 ILE 2 1HG2 ILE 2 -8.969 -8.349 21.191 34 2HG2 ILE 2 3HG2 ILE 2 -9.278 -8.406 19.455 35 3HG2 ILE 2 2HG2 ILE 2 -7.819 -7.627 20.066 36 1HD1 ILE 2 1HD1 ILE 2 -11.757 -5.331 19.052 37 2HD1 ILE 2 3HD1 ILE 2 -13.020 -5.851 20.168 38 3HD1 ILE 2 2HD1 ILE 2 -11.778 -4.720 20.707 39 H ALA 3 H ALA 3 -7.934 -3.542 20.669 40 HA ALA 3 HA ALA 3 -5.823 -2.779 20.334 41 1HB ALA 3 HB2 ALA 3 -5.456 -3.435 22.673 42 2HB ALA 3 HB3 ALA 3 -4.005 -3.634 21.691 43 3HB ALA 3 HB1 ALA 3 -4.968 -5.043 22.135 44 HA PRO 4 HA PRO 4 -4.356 -4.926 16.778 45 1HB PRO 4 HB2 PRO 4 -1.650 -3.929 17.481 46 2HB PRO 4 HB3 PRO 4 -2.578 -3.710 15.995 47 1HG PRO 4 HG2 PRO 4 -2.281 -1.706 17.727 48 2HG PRO 4 HG3 PRO 4 -3.814 -1.954 16.872 49 1HD PRO 4 HD2 PRO 4 -3.087 -2.620 19.697 50 2HD PRO 4 HD3 PRO 4 -4.608 -1.975 19.045 51 H LEU 5 H LEU 5 -2.984 -6.658 16.092 52 HA LEU 5 HA LEU 5 -2.027 -8.704 16.332 53 1HB LEU 5 HB2 LEU 5 -0.099 -7.347 17.002 54 2HB LEU 5 HB3 LEU 5 -0.658 -7.364 18.664 55 HG LEU 5 HG LEU 5 -0.365 -9.844 18.679 56 1HD1 LEU 5 3HD1 LEU 5 0.943 -9.352 16.008 57 2HD1 LEU 5 2HD1 LEU 5 0.975 -10.868 16.910 58 3HD1 LEU 5 1HD1 LEU 5 -0.553 -10.245 16.286 59 1HD2 LEU 5 3HD2 LEU 5 2.084 -8.219 18.010 60 2HD2 LEU 5 2HD2 LEU 5 1.341 -8.377 19.603 61 3HD2 LEU 5 1HD2 LEU 5 2.075 -9.782 18.828 62 H SER 6 H SER 6 -3.819 -9.921 16.830 63 HA SER 6 HA SER 6 -3.852 -11.166 19.382 64 1HB SER 6 HB2 SER 6 -5.017 -9.114 20.037 65 2HB SER 6 HB3 SER 6 -6.183 -9.345 18.735 66 HG SER 6 HG SER 6 -6.779 -11.325 19.772 67 H VAL 7 H VAL 7 -5.560 -10.492 16.374 68 HA VAL 7 HA VAL 7 -6.104 -13.352 16.105 69 HB VAL 7 HB VAL 7 -8.145 -12.203 17.050 70 1HG1 VAL 7 3HG1 VAL 7 -7.953 -10.097 15.840 71 2HG1 VAL 7 2HG1 VAL 7 -8.229 -10.937 14.314 72 3HG1 VAL 7 1HG1 VAL 7 -9.508 -10.865 15.525 73 1HG2 VAL 7 2HG2 VAL 7 -8.245 -14.341 15.833 74 2HG2 VAL 7 1HG2 VAL 7 -9.699 -13.369 15.608 75 3HG2 VAL 7 3HG2 VAL 7 -8.490 -13.455 14.329 76 H LYS 8 H LYS 8 -4.400 -11.094 14.873 77 HA LYS 8 HA LYS 8 -4.601 -12.039 12.186 78 1HB LYS 8 HB2 LYS 8 -5.208 -10.089 11.088 79 2HB LYS 8 HB3 LYS 8 -6.285 -10.075 12.470 80 1HG LYS 8 HG2 LYS 8 -3.740 -8.495 12.175 81 2HG LYS 8 HG3 LYS 8 -5.387 -7.869 12.074 82 1HD LYS 8 HD2 LYS 8 -4.241 -9.212 14.512 83 2HD LYS 8 HD3 LYS 8 -4.260 -7.465 14.266 84 1HE LYS 8 HE2 LYS 8 -6.699 -7.510 14.118 85 2HE LYS 8 HE3 LYS 8 -6.684 -9.257 14.353 86 1HZ LYS 8 HZ2 LYS 8 -5.700 -8.914 16.537 87 2HZ LYS 8 HZ1 LYS 8 -5.728 -7.239 16.310 88 3HZ LYS 8 HZ3 LYS 8 -7.179 -8.102 16.410 89 H ASP 9 H ASP 9 -2.775 -11.550 10.984 90 HA ASP 9 HA ASP 9 -0.470 -10.757 12.586 91 1HB ASP 9 HB2 ASP 9 -0.383 -12.884 11.282 92 2HB ASP 9 HB3 ASP 9 -0.533 -11.944 9.802 93 H ASN 10 H ASN 10 0.211 -8.709 12.480 94 HA ASN 10 HA ASN 10 -0.205 -7.248 9.977 95 1HB ASN 10 HB2 ASN 10 -0.399 -5.220 11.605 96 2HB ASN 10 HB3 ASN 10 -1.793 -6.241 11.298 97 1HD2 ASN 10 1HD2 ASN 10 -1.125 -4.509 13.547 98 2HD2 ASN 10 2HD2 ASN 10 -1.181 -5.519 14.941 99 H ASP 11 H ASP 11 1.150 -5.788 12.772 100 HA ASP 11 HA ASP 11 3.316 -4.659 11.574 101 1HB ASP 11 HB2 ASP 11 3.224 -5.553 14.454 102 2HB ASP 11 HB3 ASP 11 4.186 -4.246 13.777 103 H LYS 12 H LYS 12 4.543 -5.903 10.278 104 HA LYS 12 HA LYS 12 5.908 -8.214 11.443 105 1HB LYS 12 HB2 LYS 12 4.934 -8.781 9.357 106 2HB LYS 12 HB3 LYS 12 5.496 -7.296 8.601 107 1HG LYS 12 HG2 LYS 12 7.783 -8.073 8.725 108 2HG LYS 12 HG3 LYS 12 7.258 -9.551 9.533 109 1HD LYS 12 HD2 LYS 12 6.098 -10.294 7.592 110 2HD LYS 12 HD3 LYS 12 6.301 -8.731 6.798 111 1HE LYS 12 HE2 LYS 12 7.878 -10.274 5.855 112 2HE LYS 12 HE3 LYS 12 8.756 -9.096 6.831 113 1HZ LYS 12 HZ2 LYS 12 8.863 -10.714 8.623 114 2HZ LYS 12 HZ1 LYS 12 8.023 -11.845 7.686 115 3HZ LYS 12 HZ3 LYS 12 9.567 -11.334 7.215 116 H TRP 13 H TRP 13 7.439 -7.225 12.691 117 HA TRP 13 HA TRP 13 9.141 -5.152 11.676 118 1HB TRP 13 HB2 TRP 13 9.618 -6.704 14.205 119 2HB TRP 13 HB3 TRP 13 9.965 -5.016 13.859 120 HD1 TRP 13 HD1 TRP 13 6.921 -7.306 14.507 121 HE1 TRP 13 HE1 TRP 13 5.019 -5.880 15.485 122 HE3 TRP 13 HE3 TRP 13 9.139 -2.702 14.255 123 HZ2 TRP 13 HZ2 TRP 13 4.506 -3.165 16.066 124 HZ3 TRP 13 HZ3 TRP 13 7.877 -0.746 15.054 125 HH2 TRP 13 HH2 TRP 13 5.617 -0.975 15.946 126 H VAL 14 H VAL 14 10.558 -5.725 10.111 127 HA VAL 14 HA VAL 14 12.540 -7.764 10.791 128 HB VAL 14 HB VAL 14 10.575 -8.866 9.557 129 1HG1 VAL 14 1HG1 VAL 14 11.863 -7.445 7.240 130 2HG1 VAL 14 3HG1 VAL 14 10.659 -8.725 7.110 131 3HG1 VAL 14 2HG1 VAL 14 10.231 -7.184 7.854 132 1HG2 VAL 14 2HG2 VAL 14 13.062 -9.636 9.828 133 2HG2 VAL 14 1HG2 VAL 14 11.949 -10.507 8.773 134 3HG2 VAL 14 3HG2 VAL 14 13.102 -9.365 8.086 135 H ASP 15 H ASP 15 14.033 -8.014 8.759 136 HA ASP 15 HA ASP 15 14.906 -5.305 8.071 137 1HB ASP 15 HB2 ASP 15 16.235 -7.958 8.383 138 2HB ASP 15 HB3 ASP 15 16.980 -6.774 7.309 139 H THR 16 H THR 16 16.272 -5.457 5.825 140 HA THR 16 HA THR 16 15.232 -7.115 3.787 141 HB THR 16 HB THR 16 13.251 -5.562 4.357 142 HG1 THR 16 HG1 THR 16 12.775 -5.425 2.056 143 1HG2 THR 16 1HG2 THR 16 14.564 -3.475 4.406 144 2HG2 THR 16 3HG2 THR 16 14.889 -3.662 2.683 145 3HG2 THR 16 2HG2 THR 16 13.239 -3.409 3.245 146 H HIS 17 H HIS 17 15.463 -5.741 1.542 147 HA HIS 17 HA HIS 17 18.155 -4.550 1.633 148 1HB HIS 17 HB2 HIS 17 16.864 -6.449 -0.280 149 2HB HIS 17 HB3 HIS 17 18.087 -5.341 -0.888 150 HD1 HIS 17 HD1 HIS 17 17.654 -8.491 0.949 151 HD2 HIS 17 HD2 HIS 17 20.688 -5.724 0.312 152 HE1 HIS 17 HE1 HIS 17 19.776 -9.651 1.636 153 HE2 HIS 17 HE2 HIS 17 21.607 -7.984 1.170 154 H VAL 18 H VAL 18 18.309 -3.498 -0.891 155 HA VAL 18 HA VAL 18 16.436 -1.273 -0.654 156 HB VAL 18 HB VAL 18 18.850 -1.546 -2.451 157 1HG1 VAL 18 1HG1 VAL 18 17.154 0.852 -1.759 158 2HG1 VAL 18 3HG1 VAL 18 18.646 0.892 -2.698 159 3HG1 VAL 18 2HG1 VAL 18 17.232 0.042 -3.323 160 1HG2 VAL 18 1HG2 VAL 18 18.533 -0.130 0.194 161 2HG2 VAL 18 3HG2 VAL 18 19.489 -1.582 -0.106 162 3HG2 VAL 18 2HG2 VAL 18 19.955 -0.050 -0.846 163 H GLY 19 H GLY 19 14.855 -0.825 -2.013 164 1HA GLY 19 HA3 GLY 19 14.741 -1.460 -4.748 165 2HA GLY 19 HA2 GLY 19 13.387 -0.969 -3.753 166 H LYS 20 H LYS 20 14.283 -3.514 -2.085 167 HA LYS 20 HA LYS 20 13.635 -5.721 -3.717 168 1HB LYS 20 HB2 LYS 20 14.572 -5.413 -1.164 169 2HB LYS 20 HB3 LYS 20 12.934 -5.961 -0.871 170 1HG LYS 20 HG2 LYS 20 14.131 -7.928 -0.926 171 2HG LYS 20 HG3 LYS 20 13.491 -7.818 -2.570 172 1HD LYS 20 HD2 LYS 20 15.546 -7.127 -3.444 173 2HD LYS 20 HD3 LYS 20 16.156 -6.684 -1.854 174 1HE LYS 20 HE2 LYS 20 17.199 -8.745 -2.674 175 2HE LYS 20 HE3 LYS 20 16.249 -9.035 -1.217 176 1HZ LYS 20 HZ3 LYS 20 14.451 -9.869 -2.601 177 2HZ LYS 20 HZ2 LYS 20 15.367 -9.598 -3.997 178 3HZ LYS 20 HZ1 LYS 20 15.870 -10.751 -2.867 179 H THR 21 H THR 21 11.819 -4.981 -4.888 180 HA THR 21 HA THR 21 9.448 -3.978 -3.982 181 HB THR 21 HB THR 21 9.532 -6.095 -6.124 182 HG1 THR 21 HG1 THR 21 11.059 -3.975 -6.059 183 1HG2 THR 21 3HG2 THR 21 7.323 -5.240 -5.497 184 2HG2 THR 21 2HG2 THR 21 7.878 -3.590 -5.776 185 3HG2 THR 21 1HG2 THR 21 7.764 -4.723 -7.124 186 H THR 22 H THR 22 8.580 -4.712 -2.125 187 HA THR 22 HA THR 22 8.087 -7.571 -1.799 188 HB THR 22 HB THR 22 7.743 -5.249 0.108 189 HG1 THR 22 HG1 THR 22 9.559 -6.043 1.048 190 1HG2 THR 22 1HG2 THR 22 6.016 -6.945 0.529 191 2HG2 THR 22 3HG2 THR 22 7.264 -8.187 0.625 192 3HG2 THR 22 2HG2 THR 22 7.207 -6.898 1.829 193 H GLU 23 H GLU 23 6.446 -8.063 -3.133 194 HA GLU 23 HA GLU 23 4.083 -6.506 -3.400 195 1HB GLU 23 HB2 GLU 23 4.991 -7.987 -5.163 196 2HB GLU 23 HB3 GLU 23 4.631 -9.380 -4.153 197 1HG GLU 23 HG2 GLU 23 2.308 -9.043 -4.343 198 2HG GLU 23 HG3 GLU 23 2.535 -7.432 -5.024 199 H ILE 24 H ILE 24 2.234 -6.606 -2.295 200 HA ILE 24 HA ILE 24 1.859 -8.835 -0.414 201 HB ILE 24 HB ILE 24 1.238 -5.964 0.214 202 1HG1 ILE 24 2HG1 ILE 24 3.545 -7.658 1.188 203 2HG1 ILE 24 3HG1 ILE 24 3.673 -6.336 0.033 204 1HG2 ILE 24 1HG2 ILE 24 -0.173 -7.593 1.357 205 2HG2 ILE 24 3HG2 ILE 24 1.263 -8.431 1.947 206 3HG2 ILE 24 2HG2 ILE 24 0.912 -6.790 2.493 207 1HD1 ILE 24 2HD1 ILE 24 2.781 -4.822 1.812 208 2HD1 ILE 24 1HD1 ILE 24 2.952 -6.166 2.939 209 3HD1 ILE 24 3HD1 ILE 24 4.374 -5.509 2.130 210 H HIS 25 H HIS 25 0.208 -9.858 -1.414 211 HA HIS 25 HA HIS 25 -2.069 -8.388 -2.425 212 1HB HIS 25 HB2 HIS 25 -1.934 -11.373 -2.095 213 2HB HIS 25 HB3 HIS 25 -2.852 -10.442 -3.263 214 HD1 HIS 25 HD1 HIS 25 -0.187 -12.637 -3.291 215 HD2 HIS 25 HD2 HIS 25 -0.719 -8.844 -4.902 216 HE1 HIS 25 HE1 HIS 25 1.491 -12.458 -5.154 217 HE2 HIS 25 HE2 HIS 25 1.037 -10.217 -6.211 218 H LEU 26 H LEU 26 -3.205 -7.489 -0.792 219 HA LEU 26 HA LEU 26 -3.792 -9.063 1.597 220 1HB LEU 26 HB2 LEU 26 -4.436 -6.191 0.967 221 2HB LEU 26 HB3 LEU 26 -4.674 -6.976 2.513 222 HG LEU 26 HG LEU 26 -1.955 -6.672 1.247 223 1HD1 LEU 26 3HD1 LEU 26 -3.303 -4.865 3.250 224 2HD1 LEU 26 2HD1 LEU 26 -1.617 -4.767 2.741 225 3HD1 LEU 26 1HD1 LEU 26 -2.907 -4.456 1.581 226 1HD2 LEU 26 2HD2 LEU 26 -2.253 -8.415 2.987 227 2HD2 LEU 26 1HD2 LEU 26 -1.132 -7.136 3.457 228 3HD2 LEU 26 3HD2 LEU 26 -2.771 -7.155 4.108 229 H LYS 27 H LYS 27 -5.882 -9.484 2.293 230 HA LYS 27 HA LYS 27 -7.870 -9.478 0.142 231 1HB LYS 27 HB2 LYS 27 -8.076 -10.975 2.746 232 2HB LYS 27 HB3 LYS 27 -8.953 -11.272 1.253 233 1HG LYS 27 HG2 LYS 27 -6.786 -11.895 0.186 234 2HG LYS 27 HG3 LYS 27 -6.035 -11.774 1.779 235 1HD LYS 27 HD2 LYS 27 -7.553 -13.492 2.632 236 2HD LYS 27 HD3 LYS 27 -8.311 -13.614 1.042 237 1HE LYS 27 HE2 LYS 27 -6.175 -14.325 0.081 238 2HE LYS 27 HE3 LYS 27 -5.420 -14.205 1.670 239 1HZ LYS 27 HZ3 LYS 27 -6.921 -15.923 2.471 240 2HZ LYS 27 HZ2 LYS 27 -7.639 -16.041 0.944 241 3HZ LYS 27 HZ1 LYS 27 -6.020 -16.482 1.153 242 H GLY 28 H GLY 28 -10.165 -9.160 0.843 243 1HA GLY 28 HA3 GLY 28 -10.365 -6.629 2.153 244 2HA GLY 28 HA2 GLY 28 -10.985 -7.925 3.158 245 H ASN 29 H ASN 29 -12.107 -5.560 1.486 246 HA ASN 29 HA ASN 29 -13.800 -6.646 -0.487 247 1HB ASN 29 HB2 ASN 29 -14.839 -7.768 1.454 248 2HB ASN 29 HB3 ASN 29 -15.112 -6.198 2.205 249 1HD2 ASN 29 1HD2 ASN 29 -17.325 -6.467 2.262 250 2HD2 ASN 29 2HD2 ASN 29 -18.307 -6.395 0.842 251 HA PRO 30 HA PRO 30 -13.110 -2.079 -0.701 252 1HB PRO 30 HB2 PRO 30 -14.225 -2.828 -3.374 253 2HB PRO 30 HB3 PRO 30 -12.912 -1.713 -2.977 254 1HG PRO 30 HG2 PRO 30 -12.366 -4.136 -3.902 255 2HG PRO 30 HG3 PRO 30 -11.397 -3.441 -2.591 256 1HD PRO 30 HD2 PRO 30 -13.494 -5.552 -2.485 257 2HD PRO 30 HD3 PRO 30 -12.016 -5.381 -1.521 258 H THR 31 H THR 31 -15.913 -4.077 -1.127 259 HA THR 31 HA THR 31 -17.666 -1.723 -1.138 260 HB THR 31 HB THR 31 -19.473 -3.310 -1.733 261 HG1 THR 31 HG1 THR 31 -18.412 -5.188 -0.797 262 1HG2 THR 31 1HG2 THR 31 -17.053 -3.424 -3.537 263 2HG2 THR 31 3HG2 THR 31 -18.716 -3.755 -4.025 264 3HG2 THR 31 2HG2 THR 31 -18.257 -2.135 -3.498 265 H THR 32 H THR 32 -16.257 -2.680 1.269 266 HA THR 32 HA THR 32 -18.554 -3.571 2.882 267 HB THR 32 HB THR 32 -16.445 -4.984 2.913 268 HG1 THR 32 HG1 THR 32 -16.686 -5.342 5.139 269 1HG2 THR 32 3HG2 THR 32 -14.854 -3.069 2.986 270 2HG2 THR 32 2HG2 THR 32 -15.403 -2.723 4.625 271 3HG2 THR 32 1HG2 THR 32 -14.590 -4.246 4.272 272 H GLY 33 H GLY 33 -16.029 -1.136 2.609 273 1HA GLY 33 HA3 GLY 33 -17.135 0.262 4.947 274 2HA GLY 33 HA2 GLY 33 -17.081 1.091 3.398 275 H TYR 34 H TYR 34 -14.592 -1.109 4.573 276 HA TYR 34 HA TYR 34 -12.853 1.179 5.146 277 1HB TYR 34 HB2 TYR 34 -12.628 -1.747 5.846 278 2HB TYR 34 HB3 TYR 34 -11.326 -0.594 6.120 279 HD1 TYR 34 HD1 TYR 34 -14.878 -1.285 6.970 280 HD2 TYR 34 HD2 TYR 34 -11.272 0.691 8.092 281 HE1 TYR 34 HE1 TYR 34 -15.877 -0.701 9.138 282 HE2 TYR 34 HE2 TYR 34 -12.268 1.276 10.260 283 HH TYR 34 HH TYR 34 -15.142 -0.114 11.408 284 H MET 35 H MET 35 -10.412 0.461 4.701 285 HA MET 35 HA MET 35 -10.079 -0.724 2.079 286 1HB MET 35 HB2 MET 35 -10.281 1.444 1.284 287 2HB MET 35 HB3 MET 35 -9.684 2.154 2.779 288 1HG MET 35 HG2 MET 35 -7.426 1.297 2.207 289 2HG MET 35 HG3 MET 35 -8.076 0.783 0.667 290 1HE MET 35 HE1 MET 35 -10.058 2.982 -0.151 291 2HE MET 35 HE3 MET 35 -9.086 4.191 -0.989 292 3HE MET 35 HE2 MET 35 -8.822 2.477 -1.304 293 H TRP 36 H TRP 36 -7.882 -1.276 1.663 294 HA TRP 36 HA TRP 36 -6.218 -1.334 4.086 295 1HB TRP 36 HB2 TRP 36 -6.832 -3.332 2.043 296 2HB TRP 36 HB3 TRP 36 -5.115 -3.164 2.365 297 HD1 TRP 36 HD1 TRP 36 -7.884 -5.178 3.455 298 HE1 TRP 36 HE1 TRP 36 -7.524 -6.125 5.825 299 HE3 TRP 36 HE3 TRP 36 -4.034 -2.176 4.947 300 HZ2 TRP 36 HZ2 TRP 36 -5.829 -5.656 8.029 301 HZ3 TRP 36 HZ3 TRP 36 -3.099 -2.490 7.196 302 HH2 TRP 36 HH2 TRP 36 -3.982 -4.193 8.704 303 H THR 37 H THR 37 -5.261 0.678 3.745 304 HA THR 37 HA THR 37 -3.306 0.715 1.542 305 HB THR 37 HB THR 37 -5.251 2.175 0.973 306 HG1 THR 37 HG1 THR 37 -3.922 3.713 0.172 307 1HG2 THR 37 1HG2 THR 37 -5.818 2.885 3.249 308 2HG2 THR 37 3HG2 THR 37 -4.299 3.775 3.353 309 3HG2 THR 37 2HG2 THR 37 -5.537 4.273 2.198 310 H ARG 38 H ARG 38 -2.126 3.230 2.224 311 HA ARG 38 HA ARG 38 -0.755 2.409 4.655 312 1HB ARG 38 HB2 ARG 38 -0.067 4.073 2.324 313 2HB ARG 38 HB3 ARG 38 0.560 4.649 3.856 314 1HG ARG 38 HG2 ARG 38 1.762 2.674 4.232 315 2HG ARG 38 HG3 ARG 38 0.943 1.847 2.907 316 1HD ARG 38 HD2 ARG 38 3.266 2.639 2.427 317 2HD ARG 38 HD3 ARG 38 2.055 3.146 1.281 318 HE ARG 38 HE ARG 38 2.150 5.345 2.347 319 1HH1 ARG 38 1HH1 ARG 38 4.730 3.100 3.017 320 2HH1 ARG 38 2HH1 ARG 38 5.892 4.335 3.368 321 1HH2 ARG 38 1HH2 ARG 38 3.693 6.983 2.791 322 2HH2 ARG 38 2HH2 ARG 38 5.302 6.537 3.243 323 H VAL 39 H VAL 39 -0.223 3.983 6.328 324 HA VAL 39 HA VAL 39 -2.574 5.405 7.152 325 HB VAL 39 HB VAL 39 0.133 5.407 8.488 326 1HG1 VAL 39 3HG1 VAL 39 -1.385 7.129 9.293 327 2HG1 VAL 39 2HG1 VAL 39 -2.639 5.918 9.560 328 3HG1 VAL 39 1HG1 VAL 39 -1.159 5.880 10.517 329 1HG2 VAL 39 1HG2 VAL 39 -0.945 3.116 7.997 330 2HG2 VAL 39 3HG2 VAL 39 -0.387 3.457 9.635 331 3HG2 VAL 39 2HG2 VAL 39 -2.106 3.569 9.245 332 H GLY 40 H GLY 40 -2.995 7.529 7.049 333 1HA GLY 40 HA3 GLY 40 -0.891 9.491 6.807 334 2HA GLY 40 HA2 GLY 40 -2.618 9.812 6.870 335 H PHE 41 H PHE 41 -2.552 7.580 4.606 336 HA PHE 41 HA PHE 41 -2.260 9.545 2.442 337 1HB PHE 41 HB2 PHE 41 -1.289 6.684 2.319 338 2HB PHE 41 HB3 PHE 41 -1.166 7.884 1.036 339 HD1 PHE 41 HD1 PHE 41 0.186 10.007 1.557 340 HD2 PHE 41 HD2 PHE 41 0.396 6.444 3.864 341 HE1 PHE 41 HE1 PHE 41 2.348 10.742 2.480 342 HE2 PHE 41 HE2 PHE 41 2.559 7.167 4.794 343 HZ PHE 41 HZ PHE 41 3.536 9.321 4.103 344 H VAL 42 H VAL 42 -4.182 7.482 4.066 345 HA VAL 42 HA VAL 42 -5.627 6.013 2.243 346 HB VAL 42 HB VAL 42 -6.862 7.520 4.546 347 1HG1 VAL 42 2HG1 VAL 42 -8.381 6.369 2.944 348 2HG1 VAL 42 1HG1 VAL 42 -7.591 4.849 3.364 349 3HG1 VAL 42 3HG1 VAL 42 -8.473 5.756 4.594 350 1HG2 VAL 42 1HG2 VAL 42 -4.722 6.242 5.074 351 2HG2 VAL 42 3HG2 VAL 42 -6.151 5.856 6.029 352 3HG2 VAL 42 2HG2 VAL 42 -5.649 4.783 4.724 353 H GLY 43 H GLY 43 -6.601 6.589 0.423 354 1HA GLY 43 HA3 GLY 43 -8.184 9.062 0.382 355 2HA GLY 43 HA2 GLY 43 -8.359 7.712 -0.730 356 H LYS 44 H LYS 44 -5.267 9.098 0.136 357 HA LYS 44 HA LYS 44 -5.033 10.911 -2.008 358 1HB LYS 44 HB2 LYS 44 -2.900 9.493 -0.405 359 2HB LYS 44 HB3 LYS 44 -2.614 10.852 -1.475 360 1HG LYS 44 HG2 LYS 44 -4.156 12.206 -0.064 361 2HG LYS 44 HG3 LYS 44 -4.226 10.846 1.061 362 1HD LYS 44 HD2 LYS 44 -1.806 10.975 1.377 363 2HD LYS 44 HD3 LYS 44 -1.727 12.326 0.242 364 1HE LYS 44 HE2 LYS 44 -3.231 12.300 2.854 365 2HE LYS 44 HE3 LYS 44 -1.685 13.095 2.563 366 1HZ LYS 44 HZ3 LYS 44 -2.766 14.512 0.927 367 2HZ LYS 44 HZ2 LYS 44 -4.249 13.752 1.214 368 3HZ LYS 44 HZ1 LYS 44 -3.515 14.660 2.437 369 H ASP 45 H ASP 45 -3.189 10.657 -3.652 370 HA ASP 45 HA ASP 45 -3.783 8.390 -5.287 371 1HB ASP 45 HB2 ASP 45 -1.965 10.771 -5.552 372 2HB ASP 45 HB3 ASP 45 -1.946 9.471 -6.733 373 H VAL 46 H VAL 46 -0.697 9.669 -4.072 374 HA VAL 46 HA VAL 46 0.428 6.959 -4.173 375 HB VAL 46 HB VAL 46 1.639 8.791 -5.348 376 1HG1 VAL 46 1HG1 VAL 46 2.068 9.842 -2.557 377 2HG1 VAL 46 3HG1 VAL 46 2.877 10.431 -4.008 378 3HG1 VAL 46 2HG1 VAL 46 1.132 10.618 -3.835 379 1HG2 VAL 46 1HG2 VAL 46 3.105 7.528 -3.033 380 2HG2 VAL 46 3HG2 VAL 46 2.827 6.799 -4.615 381 3HG2 VAL 46 2HG2 VAL 46 3.858 8.222 -4.469 382 H LEU 47 H LEU 47 1.262 5.962 -2.415 383 HA LEU 47 HA LEU 47 0.468 7.043 0.168 384 1HB LEU 47 HB2 LEU 47 1.678 4.354 -0.364 385 2HB LEU 47 HB3 LEU 47 0.737 4.850 1.023 386 HG LEU 47 HG LEU 47 -0.319 4.473 -1.782 387 1HD1 LEU 47 2HD1 LEU 47 -0.663 2.831 0.723 388 2HD1 LEU 47 1HD1 LEU 47 -1.541 2.579 -0.786 389 3HD1 LEU 47 3HD1 LEU 47 0.208 2.359 -0.735 390 1HD2 LEU 47 2HD2 LEU 47 -1.742 5.207 0.772 391 2HD2 LEU 47 1HD2 LEU 47 -1.522 6.238 -0.641 392 3HD2 LEU 47 3HD2 LEU 47 -2.527 4.793 -0.751 393 H SER 48 H SER 48 3.328 5.570 -1.320 394 HA SER 48 HA SER 48 5.128 6.117 0.747 395 1HB SER 48 HB2 SER 48 6.861 5.782 -1.013 396 2HB SER 48 HB3 SER 48 5.655 4.505 -0.968 397 HG SER 48 HG SER 48 5.019 6.590 -2.633 398 H ASP 49 H ASP 49 7.274 7.422 -0.257 399 HA ASP 49 HA ASP 49 6.482 10.034 -1.230 400 1HB ASP 49 HB2 ASP 49 7.593 9.603 1.539 401 2HB ASP 49 HB3 ASP 49 7.715 11.150 0.704 402 H GLU 50 H GLU 50 9.321 9.190 0.675 403 HA GLU 50 HA GLU 50 10.958 9.198 -1.758 404 1HB GLU 50 HB2 GLU 50 12.561 10.688 -0.720 405 2HB GLU 50 HB3 GLU 50 10.969 11.438 -0.723 406 1HG GLU 50 HG2 GLU 50 10.658 10.847 1.609 407 2HG GLU 50 HG3 GLU 50 12.238 10.063 1.631 408 H ILE 51 H ILE 51 10.503 8.229 1.563 409 HA ILE 51 HA ILE 51 12.985 6.842 1.846 410 HB ILE 51 HB ILE 51 10.457 6.429 3.433 411 1HG1 ILE 51 2HG1 ILE 51 11.117 8.821 3.300 412 2HG1 ILE 51 3HG1 ILE 51 11.215 8.154 4.922 413 1HG2 ILE 51 2HG2 ILE 51 13.360 5.887 4.008 414 2HG2 ILE 51 1HG2 ILE 51 12.094 5.852 5.236 415 3HG2 ILE 51 3HG2 ILE 51 12.045 4.718 3.887 416 1HD1 ILE 51 3HD1 ILE 51 13.556 8.504 3.066 417 2HD1 ILE 51 2HD1 ILE 51 13.109 9.624 4.354 418 3HD1 ILE 51 1HD1 ILE 51 13.613 7.980 4.749 419 H LEU 52 H LEU 52 9.915 5.255 2.408 420 HA LEU 52 HA LEU 52 10.873 2.970 0.862 421 1HB LEU 52 HB2 LEU 52 9.559 3.201 3.298 422 2HB LEU 52 HB3 LEU 52 8.320 2.624 2.199 423 HG LEU 52 HG LEU 52 10.966 1.314 2.784 424 1HD1 LEU 52 1HD1 LEU 52 9.275 1.035 4.527 425 2HD1 LEU 52 3HD1 LEU 52 8.136 0.428 3.325 426 3HD1 LEU 52 2HD1 LEU 52 9.600 -0.485 3.695 427 1HD2 LEU 52 3HD2 LEU 52 8.820 0.567 0.811 428 2HD2 LEU 52 2HD2 LEU 52 10.494 0.990 0.460 429 3HD2 LEU 52 1HD2 LEU 52 10.124 -0.507 1.315 430 H GLU 53 H GLU 53 10.338 3.025 -1.245 431 HA GLU 53 HA GLU 53 8.147 4.426 -2.321 432 1HB GLU 53 HB2 GLU 53 10.300 3.313 -3.443 433 2HB GLU 53 HB3 GLU 53 9.170 1.998 -3.723 434 1HG GLU 53 HG2 GLU 53 7.682 3.512 -4.908 435 2HG GLU 53 HG3 GLU 53 8.797 4.845 -4.619 436 H VAL 54 H VAL 54 6.061 3.772 -2.840 437 HA VAL 54 HA VAL 54 5.314 1.024 -2.174 438 HB VAL 54 HB VAL 54 3.864 3.424 -1.054 439 1HG1 VAL 54 3HG1 VAL 54 3.327 0.473 -0.741 440 2HG1 VAL 54 2HG1 VAL 54 2.479 1.766 0.108 441 3HG1 VAL 54 1HG1 VAL 54 2.339 1.622 -1.645 442 1HG2 VAL 54 1HG2 VAL 54 5.522 1.310 0.318 443 2HG2 VAL 54 3HG2 VAL 54 5.943 3.011 0.130 444 3HG2 VAL 54 2HG2 VAL 54 4.570 2.549 1.133 445 H VAL 55 H VAL 55 4.976 0.656 -4.377 446 HA VAL 55 HA VAL 55 3.223 2.301 -5.921 447 HB VAL 55 HB VAL 55 3.975 -0.560 -6.492 448 1HG1 VAL 55 1HG1 VAL 55 2.112 0.410 -7.796 449 2HG1 VAL 55 3HG1 VAL 55 3.202 1.679 -8.354 450 3HG1 VAL 55 2HG1 VAL 55 3.510 -0.002 -8.791 451 1HG2 VAL 55 2HG2 VAL 55 5.450 1.961 -7.246 452 2HG2 VAL 55 1HG2 VAL 55 6.007 0.723 -6.119 453 3HG2 VAL 55 3HG2 VAL 55 5.828 0.341 -7.833 454 H CYS 56 H CYS 56 1.294 2.488 -4.911 455 HA CYS 56 HA CYS 56 -0.128 0.298 -3.788 456 1HB CYS 56 HB2 CYS 56 -1.949 1.916 -3.505 457 2HB CYS 56 HB3 CYS 56 -0.417 2.565 -2.942 458 HG CYS 56 HG CYS 56 -1.956 3.362 -5.893 459 H LYS 57 H LYS 57 -1.079 -1.235 -4.913 460 HA LYS 57 HA LYS 57 -2.363 -0.534 -7.460 461 1HB LYS 57 HB2 LYS 57 -0.928 -3.059 -6.671 462 2HB LYS 57 HB3 LYS 57 -1.890 -2.897 -8.127 463 1HG LYS 57 HG2 LYS 57 -0.399 -1.135 -8.923 464 2HG LYS 57 HG3 LYS 57 0.564 -1.291 -7.452 465 1HD LYS 57 HD2 LYS 57 1.120 -3.584 -8.033 466 2HD LYS 57 HD3 LYS 57 0.107 -3.483 -9.474 467 1HE LYS 57 HE2 LYS 57 1.548 -1.698 -10.347 468 2HE LYS 57 HE3 LYS 57 2.570 -1.834 -8.916 469 1HZ LYS 57 HZ2 LYS 57 3.072 -4.117 -9.544 470 2HZ LYS 57 HZ1 LYS 57 2.103 -3.975 -10.922 471 3HZ LYS 57 HZ3 LYS 57 3.508 -3.043 -10.776 472 H TYR 58 H TYR 58 -3.676 -0.283 -5.081 473 HA TYR 58 HA TYR 58 -5.153 -2.565 -4.323 474 1HB TYR 58 HB2 TYR 58 -5.051 -0.725 -2.785 475 2HB TYR 58 HB3 TYR 58 -5.664 0.396 -3.989 476 HD1 TYR 58 HD1 TYR 58 -7.632 -2.506 -4.272 477 HD2 TYR 58 HD2 TYR 58 -6.991 0.852 -1.718 478 HE1 TYR 58 HE1 TYR 58 -9.907 -2.761 -3.409 479 HE2 TYR 58 HE2 TYR 58 -9.284 0.603 -0.847 480 HH TYR 58 HH TYR 58 -11.431 -0.362 -1.537 481 H THR 59 H THR 59 -6.283 -3.668 -5.763 482 HA THR 59 HA THR 59 -7.875 -2.232 -7.765 483 HB THR 59 HB THR 59 -7.411 -5.215 -7.652 484 HG1 THR 59 HG1 THR 59 -5.723 -3.151 -8.486 485 1HG2 THR 59 2HG2 THR 59 -9.242 -4.448 -9.085 486 2HG2 THR 59 1HG2 THR 59 -8.146 -3.336 -9.906 487 3HG2 THR 59 3HG2 THR 59 -7.910 -5.079 -10.054 488 HA PRO 60 HA PRO 60 -11.356 -3.475 -5.232 489 1HB PRO 60 HB2 PRO 60 -12.964 -1.463 -5.955 490 2HB PRO 60 HB3 PRO 60 -11.563 -1.191 -4.919 491 1HG PRO 60 HG2 PRO 60 -11.971 -0.489 -7.760 492 2HG PRO 60 HG3 PRO 60 -10.905 0.254 -6.559 493 1HD PRO 60 HD2 PRO 60 -10.229 -1.668 -8.571 494 2HD PRO 60 HD3 PRO 60 -9.169 -0.917 -7.364 495 H THR 61 H THR 61 -13.951 -3.019 -6.101 496 HA THR 61 HA THR 61 -14.601 -5.246 -7.552 497 HB THR 61 HB THR 61 -16.378 -2.950 -8.069 498 HG1 THR 61 HG1 THR 61 -15.651 -2.292 -6.052 499 1HG2 THR 61 2HG2 THR 61 -16.741 -5.658 -6.788 500 2HG2 THR 61 1HG2 THR 61 -18.044 -4.512 -7.106 501 3HG2 THR 61 3HG2 THR 61 -17.139 -5.213 -8.447 502 HA PRO 62 HA PRO 62 -13.386 -4.436 -11.733 503 1HB PRO 62 HB2 PRO 62 -15.594 -6.189 -12.573 504 2HB PRO 62 HB3 PRO 62 -13.853 -6.402 -12.775 505 1HG PRO 62 HG2 PRO 62 -15.270 -7.899 -11.052 506 2HG PRO 62 HG3 PRO 62 -13.602 -7.403 -10.710 507 1HD PRO 62 HD2 PRO 62 -16.168 -6.263 -9.666 508 2HD PRO 62 HD3 PRO 62 -14.644 -6.584 -8.811 509 H SER 63 H SER 63 -14.530 -4.056 -13.942 510 HA SER 63 HA SER 63 -16.454 -1.906 -13.518 511 1HB SER 63 HB2 SER 63 -15.936 -1.278 -15.839 512 2HB SER 63 HB3 SER 63 -14.461 -1.449 -14.890 513 HG SER 63 HG SER 63 -15.230 -3.774 -16.094 514 H SER 64 H SER 64 -17.714 -1.842 -15.974 515 HA SER 64 HA SER 64 -19.758 -3.794 -15.602 516 1HB SER 64 HB2 SER 64 -19.332 -1.818 -17.857 517 2HB SER 64 HB3 SER 64 -20.805 -2.747 -17.582 518 HG SER 64 HG SER 64 -20.792 -1.705 -15.434 519 H THR 65 H THR 65 -16.783 -4.091 -16.944 520 HA THR 65 HA THR 65 -17.172 -5.408 -19.372 521 HB THR 65 HB THR 65 -14.979 -6.533 -18.898 522 HG1 THR 65 HG1 THR 65 -15.607 -5.680 -16.374 523 1HG2 THR 65 1HG2 THR 65 -15.122 -3.555 -18.414 524 2HG2 THR 65 3HG2 THR 65 -13.666 -4.442 -18.865 525 3HG2 THR 65 2HG2 THR 65 -15.030 -4.359 -19.980 526 HA PRO 66 HA PRO 66 -18.847 -9.346 -18.270 527 1HB PRO 66 HB2 PRO 66 -17.940 -10.924 -20.235 528 2HB PRO 66 HB3 PRO 66 -19.074 -9.608 -20.570 529 1HG PRO 66 HG2 PRO 66 -16.078 -9.634 -20.838 530 2HG PRO 66 HG3 PRO 66 -17.290 -9.098 -22.023 531 1HD PRO 66 HD2 PRO 66 -15.973 -7.365 -20.422 532 2HD PRO 66 HD3 PRO 66 -17.658 -7.098 -20.913 533 H MET 67 H MET 67 -15.884 -8.583 -17.540 534 HA MET 67 HA MET 67 -15.140 -11.293 -16.668 535 1HB MET 67 HB2 MET 67 -12.753 -10.449 -16.716 536 2HB MET 67 HB3 MET 67 -13.516 -10.687 -18.281 537 1HG MET 67 HG2 MET 67 -13.955 -8.286 -18.430 538 2HG MET 67 HG3 MET 67 -13.174 -8.053 -16.867 539 1HE MET 67 HE1 MET 67 -10.756 -10.121 -17.047 540 2HE MET 67 HE3 MET 67 -9.473 -9.075 -17.658 541 3HE MET 67 HE2 MET 67 -10.586 -8.477 -16.427 542 H VAL 68 H VAL 68 -16.357 -10.884 -14.749 543 HA VAL 68 HA VAL 68 -15.600 -8.746 -12.982 544 HB VAL 68 HB VAL 68 -17.316 -11.182 -12.469 545 1HG1 VAL 68 3HG1 VAL 68 -16.947 -8.674 -10.832 546 2HG1 VAL 68 2HG1 VAL 68 -18.143 -9.933 -10.518 547 3HG1 VAL 68 1HG1 VAL 68 -16.423 -10.299 -10.391 548 1HG2 VAL 68 3HG2 VAL 68 -18.237 -9.733 -14.194 549 2HG2 VAL 68 2HG2 VAL 68 -19.198 -9.632 -12.718 550 3HG2 VAL 68 1HG2 VAL 68 -18.072 -8.337 -13.129 551 H GLY 69 H GLY 69 -13.558 -8.851 -12.219 552 1HA GLY 69 HA3 GLY 69 -12.519 -11.414 -11.255 553 2HA GLY 69 HA2 GLY 69 -12.671 -10.106 -10.092 554 H VAL 70 H VAL 70 -11.894 -7.948 -11.710 555 HA VAL 70 HA VAL 70 -9.357 -8.528 -12.908 556 HB VAL 70 HB VAL 70 -9.197 -6.041 -13.105 557 1HG1 VAL 70 2HG1 VAL 70 -11.710 -7.320 -14.160 558 2HG1 VAL 70 1HG1 VAL 70 -10.978 -5.842 -14.782 559 3HG1 VAL 70 3HG1 VAL 70 -10.116 -7.375 -14.911 560 1HG2 VAL 70 2HG2 VAL 70 -11.938 -6.133 -11.865 561 2HG2 VAL 70 1HG2 VAL 70 -10.491 -5.412 -11.159 562 3HG2 VAL 70 3HG2 VAL 70 -11.205 -4.715 -12.613 563 H GLY 71 H GLY 71 -10.380 -8.175 -9.781 564 1HA GLY 71 HA3 GLY 71 -8.423 -6.613 -8.578 565 2HA GLY 71 HA2 GLY 71 -7.803 -8.250 -8.677 566 H GLY 72 H GLY 72 -9.718 -6.080 -6.916 567 1HA GLY 72 HA3 GLY 72 -11.169 -8.209 -5.545 568 2HA GLY 72 HA2 GLY 72 -11.431 -6.486 -5.336 569 H ILE 73 H ILE 73 -8.223 -6.755 -5.306 570 HA ILE 73 HA ILE 73 -8.140 -7.023 -2.384 571 HB ILE 73 HB ILE 73 -5.872 -8.015 -2.600 572 1HG1 ILE 73 2HG1 ILE 73 -6.560 -8.734 -5.423 573 2HG1 ILE 73 3HG1 ILE 73 -5.702 -7.237 -5.064 574 1HG2 ILE 73 3HG2 ILE 73 -7.908 -9.342 -2.144 575 2HG2 ILE 73 2HG2 ILE 73 -8.001 -9.703 -3.870 576 3HG2 ILE 73 1HG2 ILE 73 -6.610 -10.247 -2.926 577 1HD1 ILE 73 1HD1 ILE 73 -3.955 -8.536 -3.930 578 2HD1 ILE 73 3HD1 ILE 73 -4.802 -10.022 -4.366 579 3HD1 ILE 73 2HD1 ILE 73 -4.138 -8.983 -5.628 580 H TYR 74 H TYR 74 -5.526 -6.494 -1.954 581 HA TYR 74 HA TYR 74 -5.108 -3.817 -3.094 582 1HB TYR 74 HB2 TYR 74 -4.247 -4.500 -0.307 583 2HB TYR 74 HB3 TYR 74 -4.648 -2.928 -0.993 584 HD1 TYR 74 HD1 TYR 74 -6.122 -6.110 0.233 585 HD2 TYR 74 HD2 TYR 74 -6.840 -2.059 -0.845 586 HE1 TYR 74 HE1 TYR 74 -8.378 -6.265 1.186 587 HE2 TYR 74 HE2 TYR 74 -9.103 -2.206 0.111 588 HH TYR 74 HH TYR 74 -10.103 -4.777 2.087 589 H VAL 75 H VAL 75 -3.411 -4.147 -4.473 590 HA VAL 75 HA VAL 75 -1.252 -5.932 -3.640 591 HB VAL 75 HB VAL 75 -1.755 -4.544 -6.277 592 1HG1 VAL 75 3HG1 VAL 75 0.427 -6.477 -5.499 593 2HG1 VAL 75 2HG1 VAL 75 0.085 -5.937 -7.143 594 3HG1 VAL 75 1HG1 VAL 75 0.632 -4.779 -5.932 595 1HG2 VAL 75 2HG2 VAL 75 -2.007 -7.425 -5.435 596 2HG2 VAL 75 1HG2 VAL 75 -3.323 -6.329 -5.859 597 3HG2 VAL 75 3HG2 VAL 75 -2.167 -6.836 -7.090 598 H VAL 76 H VAL 76 0.021 -4.898 -2.211 599 HA VAL 76 HA VAL 76 0.900 -2.167 -2.833 600 HB VAL 76 HB VAL 76 1.161 -3.716 -0.253 601 1HG1 VAL 76 3HG1 VAL 76 1.750 -0.824 -0.879 602 2HG1 VAL 76 2HG1 VAL 76 1.791 -1.556 0.726 603 3HG1 VAL 76 1HG1 VAL 76 2.938 -2.076 -0.511 604 1HG2 VAL 76 3HG2 VAL 76 -1.160 -3.178 -0.774 605 2HG2 VAL 76 2HG2 VAL 76 -0.582 -2.215 0.586 606 3HG2 VAL 76 1HG2 VAL 76 -0.725 -1.486 -1.015 607 H LEU 77 H LEU 77 2.802 -1.911 -3.780 608 HA LEU 77 HA LEU 77 4.878 -3.958 -3.420 609 1HB LEU 77 HB2 LEU 77 4.552 -1.802 -5.505 610 2HB LEU 77 HB3 LEU 77 5.976 -2.815 -5.378 611 HG LEU 77 HG LEU 77 3.160 -3.756 -5.978 612 1HD1 LEU 77 1HD1 LEU 77 5.615 -3.588 -7.720 613 2HD1 LEU 77 3HD1 LEU 77 4.067 -4.295 -8.184 614 3HD1 LEU 77 2HD1 LEU 77 4.181 -2.570 -7.840 615 1HD2 LEU 77 2HD2 LEU 77 4.784 -5.282 -4.642 616 2HD2 LEU 77 1HD2 LEU 77 3.921 -5.936 -6.037 617 3HD2 LEU 77 3HD2 LEU 77 5.609 -5.452 -6.191 618 H VAL 78 H VAL 78 6.111 -3.470 -1.720 619 HA VAL 78 HA VAL 78 6.742 -0.664 -1.192 620 HB VAL 78 HB VAL 78 7.903 -2.433 0.734 621 1HG1 VAL 78 3HG1 VAL 78 5.614 -0.465 0.897 622 2HG1 VAL 78 2HG1 VAL 78 6.484 -1.145 2.274 623 3HG1 VAL 78 1HG1 VAL 78 7.324 -0.098 1.134 624 1HG2 VAL 78 2HG2 VAL 78 6.207 -4.041 -0.008 625 2HG2 VAL 78 1HG2 VAL 78 5.909 -3.482 1.637 626 3HG2 VAL 78 3HG2 VAL 78 4.951 -2.844 0.301 627 H LYS 79 H LYS 79 8.372 -0.049 -2.482 628 HA LYS 79 HA LYS 79 10.748 -1.749 -2.684 629 1HB LYS 79 HB2 LYS 79 9.400 0.179 -4.459 630 2HB LYS 79 HB3 LYS 79 11.153 0.241 -4.477 631 1HG LYS 79 HG2 LYS 79 11.156 -2.221 -4.919 632 2HG LYS 79 HG3 LYS 79 9.391 -2.126 -5.095 633 1HD LYS 79 HD2 LYS 79 11.360 -0.514 -6.724 634 2HD LYS 79 HD3 LYS 79 10.646 -2.039 -7.252 635 1HE LYS 79 HE2 LYS 79 8.415 -1.061 -7.086 636 2HE LYS 79 HE3 LYS 79 9.117 0.461 -6.542 637 1HZ LYS 79 HZ2 LYS 79 10.260 0.649 -8.663 638 2HZ LYS 79 HZ1 LYS 79 9.584 -0.811 -9.185 639 3HZ LYS 79 HZ3 LYS 79 8.589 0.526 -8.894 640 HA PRO 80 HA PRO 80 12.355 1.226 0.379 641 1HB PRO 80 HB2 PRO 80 14.743 -0.495 -0.007 642 2HB PRO 80 HB3 PRO 80 13.948 0.013 1.485 643 1HG PRO 80 HG2 PRO 80 13.690 -2.480 0.562 644 2HG PRO 80 HG3 PRO 80 12.348 -1.644 1.357 645 1HD PRO 80 HD2 PRO 80 12.797 -2.181 -1.543 646 2HD PRO 80 HD3 PRO 80 11.283 -2.164 -0.617 647 H ARG 81 H ARG 81 12.530 3.042 -0.941 648 HA ARG 81 HA ARG 81 14.239 3.281 -3.153 649 1HB ARG 81 HB2 ARG 81 12.788 5.189 -1.398 650 2HB ARG 81 HB3 ARG 81 14.054 5.824 -2.432 651 1HG ARG 81 HG2 ARG 81 12.933 4.972 -4.392 652 2HG ARG 81 HG3 ARG 81 11.701 4.206 -3.385 653 1HD ARG 81 HD2 ARG 81 11.067 6.419 -2.528 654 2HD ARG 81 HD3 ARG 81 12.247 7.162 -3.605 655 HE ARG 81 HE ARG 81 10.363 5.502 -4.983 656 1HH1 ARG 81 1HH1 ARG 81 10.916 8.677 -3.662 657 2HH1 ARG 81 2HH1 ARG 81 9.780 9.453 -4.714 658 1HH2 ARG 81 1HH2 ARG 81 8.865 6.514 -6.372 659 2HH2 ARG 81 2HH2 ARG 81 8.613 8.224 -6.254 660 H LYS 82 H LYS 82 14.731 3.790 0.276 661 HA LYS 82 HA LYS 82 17.590 4.271 -0.250 662 1HB LYS 82 HB2 LYS 82 16.087 5.344 2.136 663 2HB LYS 82 HB3 LYS 82 17.708 5.768 1.603 664 1HG LYS 82 HG2 LYS 82 16.729 6.792 -0.425 665 2HG LYS 82 HG3 LYS 82 15.122 6.445 0.218 666 1HD LYS 82 HD2 LYS 82 15.612 7.825 2.180 667 2HD LYS 82 HD3 LYS 82 17.212 8.183 1.526 668 1HE LYS 82 HE2 LYS 82 16.169 9.236 -0.427 669 2HE LYS 82 HE3 LYS 82 14.575 8.892 0.243 670 1HZ LYS 82 HZ1 LYS 82 15.108 10.297 2.137 671 2HZ LYS 82 HZ3 LYS 82 16.634 10.631 1.488 672 3HZ LYS 82 HZ2 LYS 82 15.243 11.165 0.691 673 H ARG 83 H ARG 83 18.803 3.910 2.004 674 HA ARG 83 HA ARG 83 17.872 1.317 3.049 675 1HB ARG 83 HB2 ARG 83 20.368 0.941 3.502 676 2HB ARG 83 HB3 ARG 83 19.816 0.828 1.837 677 1HG ARG 83 HG2 ARG 83 20.564 3.164 1.485 678 2HG ARG 83 HG3 ARG 83 21.229 3.155 3.120 679 1HD ARG 83 HD2 ARG 83 22.653 1.243 2.496 680 2HD ARG 83 HD3 ARG 83 22.025 1.341 0.851 681 HE ARG 83 HE ARG 83 23.014 3.844 1.424 682 1HH1 ARG 83 1HH1 ARG 83 24.277 0.600 1.276 683 2HH1 ARG 83 2HH1 ARG 83 25.870 1.104 0.820 684 1HH2 ARG 83 1HH2 ARG 83 25.108 4.515 0.824 685 2HH2 ARG 83 2HH2 ARG 83 26.343 3.329 0.564 686 H GLY 84 H GLY 84 18.020 0.930 5.243 687 1HA GLY 84 HA3 GLY 84 18.411 3.343 6.882 688 2HA GLY 84 HA2 GLY 84 19.241 1.858 7.322 689 H HIS 85 H HIS 85 16.494 3.701 7.792 690 HA HIS 85 HA HIS 85 15.077 1.397 8.960 691 1HB HIS 85 HB2 HIS 85 15.114 4.262 9.926 692 2HB HIS 85 HB3 HIS 85 14.187 2.953 10.650 693 HD1 HIS 85 HD1 HIS 85 17.504 4.521 10.656 694 HD2 HIS 85 HD2 HIS 85 15.818 0.943 11.926 695 HE1 HIS 85 HE1 HIS 85 19.180 3.511 12.236 696 HE2 HIS 85 HE2 HIS 85 18.097 1.391 13.062 697 H HIS 86 H HIS 86 13.656 0.943 7.348 698 HA HIS 86 HA HIS 86 11.818 3.102 6.539 699 1HB HIS 86 HB2 HIS 86 12.594 0.595 5.032 700 2HB HIS 86 HB3 HIS 86 11.382 1.754 4.501 701 HD1 HIS 86 HD1 HIS 86 14.655 2.864 5.969 702 HD2 HIS 86 HD2 HIS 86 12.805 2.549 2.263 703 HE1 HIS 86 HE1 HIS 86 16.131 4.125 4.373 704 HE2 HIS 86 HE2 HIS 86 14.940 4.004 2.157 705 H THR 87 H THR 87 9.572 2.349 6.043 706 HA THR 87 HA THR 87 8.698 -0.125 7.227 707 HB THR 87 HB THR 87 7.808 2.449 8.538 708 HG1 THR 87 HG1 THR 87 9.176 1.958 10.164 709 1HG2 THR 87 3HG2 THR 87 6.102 0.694 8.512 710 2HG2 THR 87 2HG2 THR 87 7.253 -0.439 9.222 711 3HG2 THR 87 1HG2 THR 87 6.713 0.964 10.144 712 H LEU 88 H LEU 88 6.407 -0.505 6.970 713 HA LEU 88 HA LEU 88 5.111 1.265 5.004 714 1HB LEU 88 HB2 LEU 88 5.845 -0.659 3.799 715 2HB LEU 88 HB3 LEU 88 5.254 -1.742 5.040 716 HG LEU 88 HG LEU 88 2.916 -0.901 4.454 717 1HD1 LEU 88 1HD1 LEU 88 3.617 1.098 3.239 718 2HD1 LEU 88 3HD1 LEU 88 4.371 0.084 2.010 719 3HD1 LEU 88 2HD1 LEU 88 2.623 0.040 2.237 720 1HD2 LEU 88 1HD2 LEU 88 4.553 -2.481 2.488 721 2HD2 LEU 88 3HD2 LEU 88 3.596 -3.103 3.832 722 3HD2 LEU 88 2HD2 LEU 88 2.795 -2.368 2.442 723 H GLU 89 H GLU 89 3.890 2.255 6.626 724 HA GLU 89 HA GLU 89 2.343 0.773 8.497 725 1HB GLU 89 HB2 GLU 89 2.328 3.658 7.637 726 2HB GLU 89 HB3 GLU 89 1.236 3.025 8.861 727 1HG GLU 89 HG2 GLU 89 3.096 2.365 10.228 728 2HG GLU 89 HG3 GLU 89 4.234 2.914 9.001 729 H LEU 90 H LEU 90 0.989 -0.663 7.421 730 HA LEU 90 HA LEU 90 -1.028 0.540 5.654 731 1HB LEU 90 HB2 LEU 90 -0.186 -2.326 6.054 732 2HB LEU 90 HB3 LEU 90 -1.623 -1.879 5.160 733 HG LEU 90 HG LEU 90 1.214 -1.129 4.448 734 1HD1 LEU 90 1HD1 LEU 90 -0.739 -3.078 3.244 735 2HD1 LEU 90 3HD1 LEU 90 0.749 -2.553 2.457 736 3HD1 LEU 90 2HD1 LEU 90 0.822 -3.438 3.979 737 1HD2 LEU 90 2HD2 LEU 90 -1.385 -0.511 3.050 738 2HD2 LEU 90 1HD2 LEU 90 -0.301 0.650 3.817 739 3HD2 LEU 90 3HD2 LEU 90 0.223 -0.231 2.382 740 H VAL 91 H VAL 91 -3.133 0.628 6.227 741 HA VAL 91 HA VAL 91 -3.983 -0.771 8.661 742 HB VAL 91 HB VAL 91 -3.294 1.468 9.358 743 1HG1 VAL 91 3HG1 VAL 91 -5.293 2.424 7.309 744 2HG1 VAL 91 2HG1 VAL 91 -4.544 3.449 8.534 745 3HG1 VAL 91 1HG1 VAL 91 -3.546 2.682 7.298 746 1HG2 VAL 91 1HG2 VAL 91 -6.282 1.060 9.374 747 2HG2 VAL 91 3HG2 VAL 91 -5.123 0.472 10.568 748 3HG2 VAL 91 2HG2 VAL 91 -5.415 2.202 10.399 749 H TYR 92 H TYR 92 -6.257 -1.009 8.885 750 HA TYR 92 HA TYR 92 -7.722 -0.923 6.351 751 1HB TYR 92 HB2 TYR 92 -7.504 -3.012 7.896 752 2HB TYR 92 HB3 TYR 92 -8.713 -2.205 8.887 753 HD1 TYR 92 HD1 TYR 92 -10.607 -3.544 8.654 754 HD2 TYR 92 HD2 TYR 92 -8.478 -2.339 5.173 755 HE1 TYR 92 HE1 TYR 92 -12.383 -4.495 7.245 756 HE2 TYR 92 HE2 TYR 92 -10.250 -3.285 3.755 757 HH TYR 92 HH TYR 92 -12.019 -4.985 3.910 758 H THR 93 H THR 93 -8.292 1.254 6.265 759 HA THR 93 HA THR 93 -10.034 2.238 8.442 760 HB THR 93 HB THR 93 -7.980 3.503 8.362 761 HG1 THR 93 HG1 THR 93 -9.472 5.407 7.108 762 1HG2 THR 93 3HG2 THR 93 -8.536 3.472 5.445 763 2HG2 THR 93 2HG2 THR 93 -7.767 4.914 6.114 764 3HG2 THR 93 1HG2 THR 93 -7.003 3.333 6.306 765 H ARG 94 H ARG 94 -11.442 4.114 7.680 766 HA ARG 94 HA ARG 94 -12.746 3.346 5.164 767 1HB ARG 94 HB2 ARG 94 -13.783 4.978 7.489 768 2HB ARG 94 HB3 ARG 94 -14.696 4.602 6.034 769 1HG ARG 94 HG2 ARG 94 -14.503 2.201 6.576 770 2HG ARG 94 HG3 ARG 94 -13.686 2.639 8.078 771 1HD ARG 94 HD2 ARG 94 -16.048 2.200 8.470 772 2HD ARG 94 HD3 ARG 94 -15.657 3.889 8.793 773 HE ARG 94 HE ARG 94 -16.522 3.730 6.157 774 1HH1 ARG 94 1HH1 ARG 94 -17.807 3.201 9.352 775 2HH1 ARG 94 2HH1 ARG 94 -19.429 3.611 8.908 776 1HH2 ARG 94 1HH2 ARG 94 -18.655 4.273 5.563 777 2HH2 ARG 94 2HH2 ARG 94 -19.911 4.220 6.754 778 HA PRO 95 HA PRO 95 -10.389 7.010 3.695 779 1HB PRO 95 HB2 PRO 95 -11.989 6.156 1.318 780 2HB PRO 95 HB3 PRO 95 -10.300 6.661 1.411 781 1HG PRO 95 HG2 PRO 95 -10.935 4.084 1.193 782 2HG PRO 95 HG3 PRO 95 -9.599 4.606 2.232 783 1HD PRO 95 HD2 PRO 95 -12.317 3.662 2.976 784 2HD PRO 95 HD3 PRO 95 -10.781 3.490 3.845 785 H PHE 96 H PHE 96 -13.817 6.270 3.390 786 HA PHE 96 HA PHE 96 -14.605 8.896 2.635 787 1HB PHE 96 HB2 PHE 96 -16.548 7.082 3.952 788 2HB PHE 96 HB3 PHE 96 -16.692 8.013 2.471 789 HD1 PHE 96 HD1 PHE 96 -16.631 4.812 3.688 790 HD2 PHE 96 HD2 PHE 96 -14.931 7.173 0.581 791 HE1 PHE 96 HE1 PHE 96 -16.230 2.777 2.365 792 HE2 PHE 96 HE2 PHE 96 -14.528 5.141 -0.747 793 HZ PHE 96 HZ PHE 96 -15.179 2.940 0.144 794 H GLU 97 H GLU 97 -14.376 7.135 5.683 795 HA GLU 97 HA GLU 97 -15.381 9.477 7.132 796 1HB GLU 97 HB2 GLU 97 -14.804 6.678 8.125 797 2HB GLU 97 HB3 GLU 97 -15.493 7.979 9.086 798 1HG GLU 97 HG2 GLU 97 -16.755 6.729 6.655 799 2HG GLU 97 HG3 GLU 97 -17.198 6.413 8.332 800 H GLY 98 H GLY 98 -12.995 7.064 8.147 801 1HA GLY 98 HA3 GLY 98 -11.412 8.983 9.516 802 2HA GLY 98 HA2 GLY 98 -10.669 8.582 7.974 803 H ILE 99 H ILE 99 -9.073 7.984 9.836 804 HA ILE 99 HA ILE 99 -9.224 5.078 10.035 805 HB ILE 99 HB ILE 99 -6.842 6.722 10.807 806 1HG1 ILE 99 2HG1 ILE 99 -7.317 5.707 8.010 807 2HG1 ILE 99 3HG1 ILE 99 -7.793 7.334 8.488 808 1HG2 ILE 99 2HG2 ILE 99 -7.416 3.893 10.060 809 2HG2 ILE 99 1HG2 ILE 99 -5.819 4.560 9.708 810 3HG2 ILE 99 3HG2 ILE 99 -6.419 4.535 11.365 811 1HD1 ILE 99 1HD1 ILE 99 -5.468 7.821 9.078 812 2HD1 ILE 99 3HD1 ILE 99 -5.006 6.197 8.571 813 3HD1 ILE 99 2HD1 ILE 99 -5.636 7.343 7.387 814 H LYS 100 H LYS 100 -8.674 3.977 11.978 815 HA LYS 100 HA LYS 100 -8.881 5.520 14.456 816 1HB LYS 100 HB2 LYS 100 -10.586 3.101 13.858 817 2HB LYS 100 HB3 LYS 100 -10.598 4.040 15.335 818 1HG LYS 100 HG2 LYS 100 -11.525 5.933 14.210 819 2HG LYS 100 HG3 LYS 100 -11.315 5.160 12.636 820 1HD LYS 100 HD2 LYS 100 -12.818 3.366 14.183 821 2HD LYS 100 HD3 LYS 100 -13.507 4.963 14.488 822 1HE LYS 100 HE2 LYS 100 -13.721 5.332 12.078 823 2HE LYS 100 HE3 LYS 100 -13.023 3.741 11.773 824 1HZ LYS 100 HZ3 LYS 100 -15.566 4.260 13.218 825 2HZ LYS 100 HZ2 LYS 100 -15.434 3.701 11.627 826 3HZ LYS 100 HZ1 LYS 100 -14.900 2.735 12.909 827 HA PRO 101 HA PRO 101 -5.877 2.699 16.005 828 1HB PRO 101 HB2 PRO 101 -6.605 2.397 18.599 829 2HB PRO 101 HB3 PRO 101 -5.910 3.895 17.970 830 1HG PRO 101 HG2 PRO 101 -8.777 3.208 18.495 831 2HG PRO 101 HG3 PRO 101 -7.905 4.712 18.845 832 1HD PRO 101 HD2 PRO 101 -9.530 4.416 16.692 833 2HD PRO 101 HD3 PRO 101 -8.110 5.480 16.690 834 H GLU 102 H GLU 102 -9.208 1.862 16.881 835 HA GLU 102 HA GLU 102 -8.726 -0.843 17.481 836 1HB GLU 102 HB2 GLU 102 -11.189 -1.110 17.135 837 2HB GLU 102 HB3 GLU 102 -10.739 0.163 18.264 838 1HG GLU 102 HG2 GLU 102 -11.038 1.820 16.510 839 2HG GLU 102 HG3 GLU 102 -11.500 0.545 15.386 840 H ASN 103 H ASN 103 -9.203 0.854 14.492 841 HA ASN 103 HA ASN 103 -10.009 -1.192 12.800 842 1HB ASN 103 HB2 ASN 103 -8.154 1.125 12.232 843 2HB ASN 103 HB3 ASN 103 -8.874 0.102 10.995 844 1HD2 ASN 103 1HD2 ASN 103 -11.377 -0.131 12.580 845 2HD2 ASN 103 2HD2 ASN 103 -12.200 1.366 12.337 846 H GLU 104 H GLU 104 -8.875 -2.576 11.371 847 HA GLU 104 HA GLU 104 -6.876 -4.114 12.483 848 1HB GLU 104 HB2 GLU 104 -8.439 -4.322 10.289 849 2HB GLU 104 HB3 GLU 104 -6.900 -3.957 9.529 850 1HG GLU 104 HG2 GLU 104 -5.891 -5.881 10.389 851 2HG GLU 104 HG3 GLU 104 -7.182 -6.146 11.560 852 H ARG 105 H ARG 105 -4.664 -4.419 11.869 853 HA ARG 105 HA ARG 105 -3.337 -1.979 10.882 854 1HB ARG 105 HB2 ARG 105 -3.174 -2.209 13.367 855 2HB ARG 105 HB3 ARG 105 -2.365 -3.747 13.138 856 1HG ARG 105 HG2 ARG 105 -0.557 -2.386 13.457 857 2HG ARG 105 HG3 ARG 105 -0.715 -2.302 11.699 858 1HD ARG 105 HD2 ARG 105 -0.406 -0.083 12.630 859 2HD ARG 105 HD3 ARG 105 -2.003 -0.243 11.896 860 HE ARG 105 HE ARG 105 -2.308 -0.877 14.564 861 1HH1 ARG 105 1HH1 ARG 105 -1.298 1.888 12.697 862 2HH1 ARG 105 2HH1 ARG 105 -1.853 3.041 13.864 863 1HH2 ARG 105 1HH2 ARG 105 -3.042 0.636 16.106 864 2HH2 ARG 105 2HH2 ARG 105 -2.844 2.330 15.801 865 H TYR 106 H TYR 106 -1.113 -2.390 10.108 866 HA TYR 106 HA TYR 106 -0.046 -4.945 9.694 867 1HB TYR 106 HB2 TYR 106 -2.008 -5.116 8.152 868 2HB TYR 106 HB3 TYR 106 -1.327 -3.790 7.210 869 HD1 TYR 106 HD1 TYR 106 -0.852 -7.298 8.240 870 HD2 TYR 106 HD2 TYR 106 0.492 -4.164 5.699 871 HE1 TYR 106 HE1 TYR 106 0.471 -8.920 6.950 872 HE2 TYR 106 HE2 TYR 106 1.819 -5.776 4.402 873 HH TYR 106 HH TYR 106 1.438 -9.134 4.701 874 H THR 107 H THR 107 1.337 -3.175 10.682 875 HA THR 107 HA THR 107 2.576 -1.379 8.771 876 HB THR 107 HB THR 107 3.401 -1.845 11.639 877 HG1 THR 107 HG1 THR 107 1.235 -1.234 11.670 878 1HG2 THR 107 1HG2 THR 107 3.731 0.507 9.775 879 2HG2 THR 107 3HG2 THR 107 4.243 0.455 11.462 880 3HG2 THR 107 2HG2 THR 107 5.001 -0.608 10.277 881 H LEU 108 H LEU 108 3.665 -2.685 7.330 882 HA LEU 108 HA LEU 108 5.406 -4.790 8.175 883 1HB LEU 108 HB2 LEU 108 4.337 -4.917 6.020 884 2HB LEU 108 HB3 LEU 108 5.057 -3.405 5.522 885 HG LEU 108 HG LEU 108 7.249 -4.400 5.427 886 1HD1 LEU 108 1HD1 LEU 108 5.940 -6.903 6.476 887 2HD1 LEU 108 3HD1 LEU 108 7.603 -6.779 5.901 888 3HD1 LEU 108 2HD1 LEU 108 7.098 -5.888 7.335 889 1HD2 LEU 108 2HD2 LEU 108 5.201 -6.172 4.113 890 2HD2 LEU 108 1HD2 LEU 108 5.847 -4.664 3.464 891 3HD2 LEU 108 3HD2 LEU 108 6.905 -6.060 3.671 892 H HIS 109 H HIS 109 6.987 -4.040 9.521 893 HA HIS 109 HA HIS 109 8.569 -1.735 8.835 894 1HB HIS 109 HB2 HIS 109 8.533 -3.676 11.091 895 2HB HIS 109 HB3 HIS 109 9.962 -2.686 10.834 896 HD1 HIS 109 HD1 HIS 109 9.874 -0.321 11.664 897 HD2 HIS 109 HD2 HIS 109 6.143 -2.150 11.634 898 HE1 HIS 109 HE1 HIS 109 8.330 1.282 12.836 899 HE2 HIS 109 HE2 HIS 109 6.097 0.116 12.881 900 H LEU 110 H LEU 110 10.681 -1.688 8.205 901 HA LEU 110 HA LEU 110 12.006 -4.168 7.457 902 1HB LEU 110 HB2 LEU 110 11.448 -1.943 5.497 903 2HB LEU 110 HB3 LEU 110 12.460 -3.337 5.179 904 HG LEU 110 HG LEU 110 9.503 -3.476 5.789 905 1HD1 LEU 110 1HD1 LEU 110 10.951 -3.628 3.149 906 2HD1 LEU 110 3HD1 LEU 110 9.235 -3.948 3.398 907 3HD1 LEU 110 2HD1 LEU 110 9.882 -2.331 3.682 908 1HD2 LEU 110 2HD2 LEU 110 10.834 -5.486 6.369 909 2HD2 LEU 110 1HD2 LEU 110 9.655 -5.768 5.088 910 3HD2 LEU 110 3HD2 LEU 110 11.361 -5.577 4.689 911 H ASN 111 H ASN 111 13.847 -3.913 8.601 912 HA ASN 111 HA ASN 111 15.125 -1.331 8.830 913 1HB ASN 111 HB2 ASN 111 15.142 -2.887 10.740 914 2HB ASN 111 HB3 ASN 111 16.028 -4.064 9.777 915 1HD2 ASN 111 1HD2 ASN 111 17.766 -4.103 11.170 916 2HD2 ASN 111 2HD2 ASN 111 18.879 -2.788 11.306 917 H VAL 112 H VAL 112 15.154 -1.352 6.391 918 HA VAL 112 HA VAL 112 16.589 -2.923 4.720 919 HB VAL 112 HB VAL 112 16.959 0.039 4.468 920 1HG1 VAL 112 2HG1 VAL 112 16.305 -2.157 2.516 921 2HG1 VAL 112 1HG1 VAL 112 16.543 -0.460 2.103 922 3HG1 VAL 112 3HG1 VAL 112 17.884 -1.406 2.752 923 1HG2 VAL 112 3HG2 VAL 112 14.358 -1.449 4.191 924 2HG2 VAL 112 2HG2 VAL 112 14.703 -0.043 5.198 925 3HG2 VAL 112 1HG2 VAL 112 14.663 0.118 3.442 926 H LYS 113 H LYS 113 18.681 -3.340 4.234 927 HA LYS 113 HA LYS 113 20.688 -2.602 6.146 928 1HB LYS 113 HB2 LYS 113 20.908 -4.159 3.565 929 2HB LYS 113 HB3 LYS 113 22.176 -4.013 4.774 930 1HG LYS 113 HG2 LYS 113 19.475 -5.232 5.289 931 2HG LYS 113 HG3 LYS 113 20.929 -6.145 4.881 932 1HD LYS 113 HD2 LYS 113 22.040 -5.273 6.877 933 2HD LYS 113 HD3 LYS 113 20.593 -4.350 7.283 934 1HE LYS 113 HE2 LYS 113 20.702 -6.400 8.585 935 2HE LYS 113 HE3 LYS 113 19.324 -6.429 7.484 936 1HZ LYS 113 HZ3 LYS 113 20.607 -7.809 5.972 937 2HZ LYS 113 HZ2 LYS 113 21.927 -7.783 7.028 938 3HZ LYS 113 HZ1 LYS 113 20.489 -8.541 7.493 No H/Q in entry = 938 Start of MODEL 28 1 H1 GLY -2 HT2 GLY -2 -2.940 -21.308 9.740 2 H2 GLY -2 HT1 GLY -2 -3.592 -21.797 11.222 3 H3 GLY -2 HT3 GLY -2 -1.983 -22.161 10.843 4 1HA GLY -2 HA2 GLY -2 -3.362 -24.119 10.596 5 2HA GLY -2 HA3 GLY -2 -2.684 -23.613 9.056 6 H SER -1 H SER -1 -4.993 -21.402 9.942 7 HA SER -1 HA SER -1 -6.888 -22.528 8.041 8 1HB SER -1 HB2 SER -1 -8.805 -22.203 9.567 9 2HB SER -1 HB3 SER -1 -7.676 -23.409 10.185 10 HG SER -1 HG SER -1 -7.638 -20.683 10.961 11 H HIS 0 H HIS 0 -8.644 -20.946 7.523 12 HA HIS 0 HA HIS 0 -7.488 -18.262 7.408 13 1HB HIS 0 HB2 HIS 0 -9.817 -19.467 5.898 14 2HB HIS 0 HB3 HIS 0 -9.176 -17.847 5.649 15 HD1 HIS 0 HD1 HIS 0 -7.201 -17.610 4.112 16 HD2 HIS 0 HD2 HIS 0 -8.021 -21.568 5.073 17 HE1 HIS 0 HE1 HIS 0 -5.726 -18.986 2.610 18 HE2 HIS 0 HE2 HIS 0 -6.304 -21.378 3.148 19 H MET 1 H MET 1 -8.269 -16.602 8.537 20 HA MET 1 HA MET 1 -10.536 -17.043 10.293 21 1HB MET 1 HB2 MET 1 -8.685 -14.667 10.017 22 2HB MET 1 HB3 MET 1 -9.912 -14.859 11.263 23 1HG MET 1 HG2 MET 1 -7.511 -16.628 10.858 24 2HG MET 1 HG3 MET 1 -7.698 -15.395 12.104 25 1HE MET 1 HE2 MET 1 -7.069 -17.192 13.964 26 2HE MET 1 HE1 MET 1 -7.887 -18.745 14.136 27 3HE MET 1 HE3 MET 1 -6.890 -18.426 12.717 28 H ILE 2 H ILE 2 -12.542 -16.428 9.857 29 HA ILE 2 HA ILE 2 -13.055 -14.776 7.517 30 HB ILE 2 HB ILE 2 -15.415 -15.376 7.848 31 1HG1 ILE 2 2HG1 ILE 2 -14.416 -17.026 10.182 32 2HG1 ILE 2 3HG1 ILE 2 -15.318 -15.520 10.333 33 1HG2 ILE 2 1HG2 ILE 2 -13.983 -16.816 6.504 34 2HG2 ILE 2 3HG2 ILE 2 -13.536 -17.733 7.943 35 3HG2 ILE 2 2HG2 ILE 2 -15.200 -17.764 7.359 36 1HD1 ILE 2 3HD1 ILE 2 -17.222 -16.553 9.204 37 2HD1 ILE 2 2HD1 ILE 2 -16.319 -18.062 9.073 38 3HD1 ILE 2 1HD1 ILE 2 -16.761 -17.434 10.661 39 H ALA 3 H ALA 3 -12.275 -14.023 10.527 40 HA ALA 3 HA ALA 3 -14.172 -11.770 10.671 41 1HB ALA 3 HB1 ALA 3 -12.800 -13.154 12.973 42 2HB ALA 3 HB2 ALA 3 -14.495 -13.331 12.522 43 3HB ALA 3 HB3 ALA 3 -13.893 -11.775 13.093 44 HA PRO 4 HA PRO 4 -9.986 -9.930 10.070 45 1HB PRO 4 HB2 PRO 4 -11.338 -7.978 8.397 46 2HB PRO 4 HB3 PRO 4 -10.085 -9.138 7.952 47 1HG PRO 4 HG2 PRO 4 -12.656 -9.316 7.081 48 2HG PRO 4 HG3 PRO 4 -11.602 -10.724 7.300 49 1HD PRO 4 HD2 PRO 4 -13.757 -9.673 9.095 50 2HD PRO 4 HD3 PRO 4 -13.366 -11.353 8.665 51 H LEU 5 H LEU 5 -12.351 -9.332 12.007 52 HA LEU 5 HA LEU 5 -12.654 -6.588 12.330 53 1HB LEU 5 HB2 LEU 5 -13.995 -8.272 13.512 54 2HB LEU 5 HB3 LEU 5 -12.595 -8.721 14.466 55 HG LEU 5 HG LEU 5 -12.566 -6.405 15.406 56 1HD1 LEU 5 1HD1 LEU 5 -13.751 -5.282 13.590 57 2HD1 LEU 5 3HD1 LEU 5 -15.219 -6.172 13.993 58 3HD1 LEU 5 2HD1 LEU 5 -14.548 -5.012 15.140 59 1HD2 LEU 5 1HD2 LEU 5 -15.106 -7.980 15.799 60 2HD2 LEU 5 3HD2 LEU 5 -13.575 -8.244 16.635 61 3HD2 LEU 5 2HD2 LEU 5 -14.476 -6.751 16.896 62 H SER 6 H SER 6 -10.499 -8.671 14.272 63 HA SER 6 HA SER 6 -8.472 -6.569 14.223 64 1HB SER 6 HB2 SER 6 -9.552 -7.765 16.787 65 2HB SER 6 HB3 SER 6 -8.168 -6.678 16.670 66 HG SER 6 HG SER 6 -10.879 -6.137 16.472 67 H VAL 7 H VAL 7 -9.414 -9.873 14.742 68 HA VAL 7 HA VAL 7 -6.773 -10.821 15.363 69 HB VAL 7 HB VAL 7 -9.247 -12.344 14.530 70 1HG1 VAL 7 2HG1 VAL 7 -6.621 -13.330 15.637 71 2HG1 VAL 7 1HG1 VAL 7 -8.074 -14.314 15.454 72 3HG1 VAL 7 3HG1 VAL 7 -7.277 -13.646 14.030 73 1HG2 VAL 7 3HG2 VAL 7 -9.521 -11.152 16.639 74 2HG2 VAL 7 2HG2 VAL 7 -9.436 -12.893 16.908 75 3HG2 VAL 7 1HG2 VAL 7 -8.035 -11.876 17.252 76 H LYS 8 H LYS 8 -5.290 -10.472 13.801 77 HA LYS 8 HA LYS 8 -5.209 -12.108 11.532 78 1HB LYS 8 HB2 LYS 8 -6.922 -10.555 10.671 79 2HB LYS 8 HB3 LYS 8 -5.825 -9.207 10.934 80 1HG LYS 8 HG2 LYS 8 -5.812 -9.797 8.611 81 2HG LYS 8 HG3 LYS 8 -4.253 -10.216 9.322 82 1HD LYS 8 HD2 LYS 8 -4.971 -12.551 9.518 83 2HD LYS 8 HD3 LYS 8 -6.524 -12.130 8.793 84 1HE LYS 8 HE2 LYS 8 -5.031 -13.119 7.142 85 2HE LYS 8 HE3 LYS 8 -5.387 -11.438 6.746 86 1HZ LYS 8 HZ3 LYS 8 -3.255 -10.802 7.688 87 2HZ LYS 8 HZ2 LYS 8 -2.913 -12.415 8.065 88 3HZ LYS 8 HZ1 LYS 8 -3.046 -11.936 6.449 89 H ASP 9 H ASP 9 -3.153 -12.275 10.862 90 HA ASP 9 HA ASP 9 -1.096 -11.010 12.310 91 1HB ASP 9 HB2 ASP 9 -0.863 -13.237 11.242 92 2HB ASP 9 HB3 ASP 9 -0.886 -12.458 9.662 93 H ASN 10 H ASN 10 -0.214 -9.065 12.068 94 HA ASN 10 HA ASN 10 -0.415 -7.755 9.457 95 1HB ASN 10 HB2 ASN 10 -0.453 -5.604 10.963 96 2HB ASN 10 HB3 ASN 10 -1.930 -6.487 10.620 97 1HD2 ASN 10 1HD2 ASN 10 -1.270 -4.709 12.801 98 2HD2 ASN 10 2HD2 ASN 10 -1.485 -5.622 14.246 99 H ASP 11 H ASP 11 1.234 -7.410 12.567 100 HA ASP 11 HA ASP 11 3.388 -5.939 11.693 101 1HB ASP 11 HB2 ASP 11 4.521 -6.677 13.725 102 2HB ASP 11 HB3 ASP 11 2.849 -6.243 14.050 103 H LYS 12 H LYS 12 4.417 -6.523 9.909 104 HA LYS 12 HA LYS 12 5.724 -9.156 9.845 105 1HB LYS 12 HB2 LYS 12 4.125 -8.866 8.010 106 2HB LYS 12 HB3 LYS 12 4.893 -7.351 7.557 107 1HG LYS 12 HG2 LYS 12 5.664 -8.944 6.022 108 2HG LYS 12 HG3 LYS 12 6.986 -8.679 7.159 109 1HD LYS 12 HD2 LYS 12 5.079 -10.871 7.757 110 2HD LYS 12 HD3 LYS 12 6.215 -11.116 6.431 111 1HE LYS 12 HE2 LYS 12 8.075 -10.590 7.952 112 2HE LYS 12 HE3 LYS 12 6.925 -10.405 9.274 113 1HZ LYS 12 HZ1 LYS 12 6.290 -12.719 9.001 114 2HZ LYS 12 HZ3 LYS 12 7.395 -12.898 7.732 115 3HZ LYS 12 HZ2 LYS 12 7.949 -12.587 9.300 116 H TRP 13 H TRP 13 7.024 -7.685 11.379 117 HA TRP 13 HA TRP 13 8.719 -5.715 10.197 118 1HB TRP 13 HB2 TRP 13 8.981 -7.020 12.910 119 2HB TRP 13 HB3 TRP 13 9.560 -5.437 12.418 120 HD1 TRP 13 HD1 TRP 13 6.218 -5.663 11.012 121 HE1 TRP 13 HE1 TRP 13 4.468 -4.527 12.501 122 HE3 TRP 13 HE3 TRP 13 8.956 -5.217 15.319 123 HZ2 TRP 13 HZ2 TRP 13 4.241 -3.570 15.121 124 HZ3 TRP 13 HZ3 TRP 13 7.885 -4.174 17.276 125 HH2 TRP 13 HH2 TRP 13 5.581 -3.368 17.181 126 H VAL 14 H VAL 14 10.519 -6.100 9.072 127 HA VAL 14 HA VAL 14 12.316 -8.258 9.844 128 HB VAL 14 HB VAL 14 12.404 -9.158 7.494 129 1HG1 VAL 14 2HG1 VAL 14 11.347 -10.394 9.315 130 2HG1 VAL 14 1HG1 VAL 14 9.822 -9.567 8.996 131 3HG1 VAL 14 3HG1 VAL 14 10.504 -10.656 7.789 132 1HG2 VAL 14 1HG2 VAL 14 11.258 -7.314 6.383 133 2HG2 VAL 14 3HG2 VAL 14 10.442 -8.847 6.075 134 3HG2 VAL 14 2HG2 VAL 14 9.771 -7.712 7.245 135 H ASP 15 H ASP 15 13.998 -8.436 7.878 136 HA ASP 15 HA ASP 15 15.188 -5.780 7.691 137 1HB ASP 15 HB2 ASP 15 16.137 -8.584 7.640 138 2HB ASP 15 HB3 ASP 15 17.054 -7.437 6.663 139 H THR 16 H THR 16 16.582 -5.567 5.526 140 HA THR 16 HA THR 16 15.597 -6.723 3.154 141 HB THR 16 HB THR 16 13.655 -5.174 3.999 142 HG1 THR 16 HG1 THR 16 12.974 -5.265 1.953 143 1HG2 THR 16 1HG2 THR 16 15.057 -3.173 4.274 144 2HG2 THR 16 3HG2 THR 16 15.397 -3.189 2.544 145 3HG2 THR 16 2HG2 THR 16 13.751 -2.915 3.117 146 H HIS 17 H HIS 17 16.126 -5.254 1.183 147 HA HIS 17 HA HIS 17 18.714 -3.938 1.682 148 1HB HIS 17 HB2 HIS 17 17.757 -5.482 -0.739 149 2HB HIS 17 HB3 HIS 17 19.258 -4.564 -0.685 150 HD1 HIS 17 HD1 HIS 17 21.240 -5.914 -0.117 151 HD2 HIS 17 HD2 HIS 17 17.760 -7.555 1.452 152 HE1 HIS 17 HE1 HIS 17 21.948 -8.057 0.992 153 HE2 HIS 17 HE2 HIS 17 19.840 -8.988 2.008 154 H VAL 18 H VAL 18 18.803 -2.963 -1.107 155 HA VAL 18 HA VAL 18 17.061 -0.656 -0.702 156 HB VAL 18 HB VAL 18 19.217 -1.018 -2.783 157 1HG1 VAL 18 1HG1 VAL 18 17.676 1.404 -1.848 158 2HG1 VAL 18 3HG1 VAL 18 19.091 1.464 -2.901 159 3HG1 VAL 18 2HG1 VAL 18 17.621 0.655 -3.444 160 1HG2 VAL 18 1HG2 VAL 18 19.331 0.359 -0.101 161 2HG2 VAL 18 3HG2 VAL 18 20.165 -1.129 -0.546 162 3HG2 VAL 18 2HG2 VAL 18 20.599 0.392 -1.325 163 H GLY 19 H GLY 19 15.299 -0.258 -1.821 164 1HA GLY 19 HA3 GLY 19 14.873 -0.898 -4.536 165 2HA GLY 19 HA2 GLY 19 13.651 -0.376 -3.396 166 H LYS 20 H LYS 20 14.671 -2.906 -1.792 167 HA LYS 20 HA LYS 20 13.938 -5.172 -3.231 168 1HB LYS 20 HB2 LYS 20 14.880 -4.771 -0.749 169 2HB LYS 20 HB3 LYS 20 13.201 -5.079 -0.359 170 1HG LYS 20 HG2 LYS 20 14.152 -7.171 -0.220 171 2HG LYS 20 HG3 LYS 20 13.467 -7.161 -1.852 172 1HD LYS 20 HD2 LYS 20 15.557 -6.800 -2.843 173 2HD LYS 20 HD3 LYS 20 16.275 -6.300 -1.312 174 1HE LYS 20 HE2 LYS 20 15.394 -9.083 -2.079 175 2HE LYS 20 HE3 LYS 20 17.054 -8.520 -1.892 176 1HZ LYS 20 HZ1 LYS 20 16.586 -8.109 0.460 177 2HZ LYS 20 HZ3 LYS 20 15.020 -8.719 0.263 178 3HZ LYS 20 HZ2 LYS 20 16.357 -9.734 0.053 179 H THR 21 H THR 21 12.140 -4.637 -4.503 180 HA THR 21 HA THR 21 9.741 -3.553 -3.612 181 HB THR 21 HB THR 21 9.840 -5.614 -5.799 182 HG1 THR 21 HG1 THR 21 11.227 -4.380 -6.806 183 1HG2 THR 21 2HG2 THR 21 7.672 -4.591 -5.111 184 2HG2 THR 21 1HG2 THR 21 8.324 -3.015 -5.558 185 3HG2 THR 21 3HG2 THR 21 8.111 -4.262 -6.788 186 H THR 22 H THR 22 8.908 -4.382 -1.755 187 HA THR 22 HA THR 22 8.494 -7.247 -1.498 188 HB THR 22 HB THR 22 7.709 -5.017 0.395 189 HG1 THR 22 HG1 THR 22 9.701 -5.128 1.102 190 1HG2 THR 22 3HG2 THR 22 7.867 -8.006 0.809 191 2HG2 THR 22 2HG2 THR 22 7.521 -6.814 2.060 192 3HG2 THR 22 1HG2 THR 22 6.390 -7.047 0.728 193 H GLU 23 H GLU 23 6.902 -8.005 -2.705 194 HA GLU 23 HA GLU 23 4.454 -6.525 -3.095 195 1HB GLU 23 HB2 GLU 23 5.481 -7.673 -4.983 196 2HB GLU 23 HB3 GLU 23 5.398 -9.202 -4.121 197 1HG GLU 23 HG2 GLU 23 2.993 -9.156 -4.172 198 2HG GLU 23 HG3 GLU 23 3.023 -7.550 -4.897 199 H ILE 24 H ILE 24 2.637 -6.849 -2.023 200 HA ILE 24 HA ILE 24 2.203 -9.392 -0.644 201 HB ILE 24 HB ILE 24 1.779 -6.738 0.710 202 1HG1 ILE 24 2HG1 ILE 24 3.993 -8.767 1.069 203 2HG1 ILE 24 3HG1 ILE 24 4.168 -7.129 0.449 204 1HG2 ILE 24 1HG2 ILE 24 0.299 -8.667 1.329 205 2HG2 ILE 24 3HG2 ILE 24 1.744 -9.513 1.882 206 3HG2 ILE 24 2HG2 ILE 24 1.253 -8.008 2.658 207 1HD1 ILE 24 2HD1 ILE 24 3.453 -6.261 2.641 208 2HD1 ILE 24 1HD1 ILE 24 3.404 -7.915 3.247 209 3HD1 ILE 24 3HD1 ILE 24 4.933 -7.216 2.717 210 H HIS 25 H HIS 25 0.415 -10.102 -1.559 211 HA HIS 25 HA HIS 25 -1.673 -8.307 -2.436 212 1HB HIS 25 HB2 HIS 25 -1.928 -11.291 -2.417 213 2HB HIS 25 HB3 HIS 25 -2.585 -10.131 -3.559 214 HD1 HIS 25 HD1 HIS 25 -0.078 -12.617 -3.363 215 HD2 HIS 25 HD2 HIS 25 -0.279 -8.831 -5.063 216 HE1 HIS 25 HE1 HIS 25 1.752 -12.556 -5.087 217 HE2 HIS 25 HE2 HIS 25 1.541 -10.294 -6.175 218 H LEU 26 H LEU 26 -3.096 -7.571 -1.021 219 HA LEU 26 HA LEU 26 -3.832 -9.240 1.282 220 1HB LEU 26 HB2 LEU 26 -3.640 -6.328 0.830 221 2HB LEU 26 HB3 LEU 26 -4.946 -6.866 1.861 222 HG LEU 26 HG LEU 26 -2.943 -8.208 3.018 223 1HD1 LEU 26 3HD1 LEU 26 -1.661 -5.756 1.836 224 2HD1 LEU 26 2HD1 LEU 26 -0.974 -6.725 3.142 225 3HD1 LEU 26 1HD1 LEU 26 -1.211 -7.436 1.542 226 1HD2 LEU 26 3HD2 LEU 26 -4.498 -6.656 4.107 227 2HD2 LEU 26 2HD2 LEU 26 -2.841 -6.417 4.660 228 3HD2 LEU 26 1HD2 LEU 26 -3.554 -5.295 3.501 229 H LYS 27 H LYS 27 -6.083 -9.118 1.987 230 HA LYS 27 HA LYS 27 -7.920 -8.852 -0.296 231 1HB LYS 27 HB2 LYS 27 -8.456 -10.690 2.003 232 2HB LYS 27 HB3 LYS 27 -9.077 -10.760 0.360 233 1HG LYS 27 HG2 LYS 27 -7.579 -12.492 0.354 234 2HG LYS 27 HG3 LYS 27 -6.583 -11.181 -0.275 235 1HD LYS 27 HD2 LYS 27 -5.657 -10.821 1.962 236 2HD LYS 27 HD3 LYS 27 -6.667 -12.123 2.594 237 1HE LYS 27 HE2 LYS 27 -5.537 -13.715 1.124 238 2HE LYS 27 HE3 LYS 27 -4.530 -12.415 0.487 239 1HZ LYS 27 HZ2 LYS 27 -3.619 -12.089 2.705 240 2HZ LYS 27 HZ1 LYS 27 -4.577 -13.347 3.306 241 3HZ LYS 27 HZ3 LYS 27 -3.363 -13.675 2.174 242 H GLY 28 H GLY 28 -10.144 -8.325 0.262 243 1HA GLY 28 HA3 GLY 28 -10.338 -6.034 1.838 244 2HA GLY 28 HA2 GLY 28 -10.883 -7.382 2.822 245 H ASN 29 H ASN 29 -12.248 -4.985 1.544 246 HA ASN 29 HA ASN 29 -13.999 -5.937 -0.460 247 1HB ASN 29 HB2 ASN 29 -14.798 -7.328 1.443 248 2HB ASN 29 HB3 ASN 29 -15.187 -5.851 2.323 249 1HD2 ASN 29 1HD2 ASN 29 -17.363 -6.466 2.423 250 2HD2 ASN 29 2HD2 ASN 29 -18.405 -6.340 1.051 251 HA PRO 30 HA PRO 30 -13.916 -1.385 -0.359 252 1HB PRO 30 HB2 PRO 30 -15.400 -1.823 -2.887 253 2HB PRO 30 HB3 PRO 30 -13.972 -0.833 -2.579 254 1HG PRO 30 HG2 PRO 30 -13.790 -3.148 -3.894 255 2HG PRO 30 HG3 PRO 30 -12.528 -2.633 -2.763 256 1HD PRO 30 HD2 PRO 30 -14.692 -4.656 -2.396 257 2HD PRO 30 HD3 PRO 30 -13.012 -4.687 -1.832 258 H THR 31 H THR 31 -16.692 -3.450 -1.100 259 HA THR 31 HA THR 31 -18.630 -1.384 -0.662 260 HB THR 31 HB THR 31 -20.295 -3.200 -0.784 261 HG1 THR 31 HG1 THR 31 -18.669 -5.197 -1.550 262 1HG2 THR 31 3HG2 THR 31 -18.161 -3.345 -2.916 263 2HG2 THR 31 2HG2 THR 31 -19.828 -3.893 -3.092 264 3HG2 THR 31 1HG2 THR 31 -19.484 -2.180 -2.851 265 H THR 32 H THR 32 -16.629 -2.449 1.503 266 HA THR 32 HA THR 32 -18.547 -3.128 3.600 267 HB THR 32 HB THR 32 -15.526 -3.091 3.611 268 HG1 THR 32 HG1 THR 32 -15.927 -5.403 3.853 269 1HG2 THR 32 1HG2 THR 32 -17.466 -3.872 5.786 270 2HG2 THR 32 3HG2 THR 32 -15.741 -4.237 5.801 271 3HG2 THR 32 2HG2 THR 32 -16.288 -2.560 5.837 272 H GLY 33 H GLY 33 -16.356 -0.565 2.624 273 1HA GLY 33 HA3 GLY 33 -17.261 1.014 4.949 274 2HA GLY 33 HA2 GLY 33 -17.273 1.682 3.325 275 H TYR 34 H TYR 34 -14.723 -0.389 4.574 276 HA TYR 34 HA TYR 34 -12.977 1.945 4.875 277 1HB TYR 34 HB2 TYR 34 -12.583 -0.922 5.743 278 2HB TYR 34 HB3 TYR 34 -11.424 0.374 6.007 279 HD1 TYR 34 HD1 TYR 34 -14.877 -0.719 6.822 280 HD2 TYR 34 HD2 TYR 34 -11.592 1.769 7.899 281 HE1 TYR 34 HE1 TYR 34 -15.992 -0.174 8.944 282 HE2 TYR 34 HE2 TYR 34 -12.703 2.317 10.022 283 HH TYR 34 HH TYR 34 -14.972 2.356 10.960 284 H MET 35 H MET 35 -10.533 1.091 4.415 285 HA MET 35 HA MET 35 -10.378 -0.245 1.846 286 1HB MET 35 HB2 MET 35 -10.466 1.864 0.928 287 2HB MET 35 HB3 MET 35 -9.820 2.631 2.371 288 1HG MET 35 HG2 MET 35 -7.602 1.710 1.825 289 2HG MET 35 HG3 MET 35 -8.279 1.051 0.353 290 1HE MET 35 HE2 MET 35 -10.290 3.272 -0.533 291 2HE MET 35 HE1 MET 35 -9.335 4.358 -1.541 292 3HE MET 35 HE3 MET 35 -9.166 2.613 -1.720 293 H TRP 36 H TRP 36 -8.380 -1.138 1.456 294 HA TRP 36 HA TRP 36 -6.596 -1.260 3.775 295 1HB TRP 36 HB2 TRP 36 -7.389 -3.116 1.693 296 2HB TRP 36 HB3 TRP 36 -5.645 -3.023 1.850 297 HD1 TRP 36 HD1 TRP 36 -8.276 -5.101 3.008 298 HE1 TRP 36 HE1 TRP 36 -7.756 -6.193 5.281 299 HE3 TRP 36 HE3 TRP 36 -4.410 -2.102 4.489 300 HZ2 TRP 36 HZ2 TRP 36 -5.950 -5.834 7.409 301 HZ3 TRP 36 HZ3 TRP 36 -3.343 -2.545 6.661 302 HH2 TRP 36 HH2 TRP 36 -4.103 -4.373 8.088 303 H THR 37 H THR 37 -5.726 0.853 3.378 304 HA THR 37 HA THR 37 -3.822 0.886 1.125 305 HB THR 37 HB THR 37 -5.693 2.501 0.832 306 HG1 THR 37 HG1 THR 37 -3.908 3.200 -0.194 307 1HG2 THR 37 1HG2 THR 37 -4.513 3.777 3.311 308 2HG2 THR 37 3HG2 THR 37 -5.742 4.503 2.274 309 3HG2 THR 37 2HG2 THR 37 -6.106 3.033 3.178 310 H ARG 38 H ARG 38 -2.291 3.069 1.803 311 HA ARG 38 HA ARG 38 -0.801 2.003 4.035 312 1HB ARG 38 HB2 ARG 38 -0.173 3.501 1.715 313 2HB ARG 38 HB3 ARG 38 0.281 4.478 3.096 314 1HG ARG 38 HG2 ARG 38 1.696 2.782 3.942 315 2HG ARG 38 HG3 ARG 38 1.125 1.642 2.728 316 1HD ARG 38 HD2 ARG 38 2.789 4.105 2.285 317 2HD ARG 38 HD3 ARG 38 3.235 2.446 2.032 318 HE ARG 38 HE ARG 38 2.086 4.066 0.134 319 1HH1 ARG 38 1HH1 ARG 38 1.548 0.880 1.464 320 2HH1 ARG 38 2HH1 ARG 38 1.007 0.212 -0.038 321 1HH2 ARG 38 1HH2 ARG 38 1.415 3.173 -1.842 322 2HH2 ARG 38 2HH2 ARG 38 0.937 1.512 -1.914 323 H VAL 39 H VAL 39 -0.526 2.873 6.021 324 HA VAL 39 HA VAL 39 -2.510 4.424 7.177 325 HB VAL 39 HB VAL 39 0.328 3.963 8.100 326 1HG1 VAL 39 2HG1 VAL 39 -1.991 5.169 9.605 327 2HG1 VAL 39 1HG1 VAL 39 -0.470 4.655 10.334 328 3HG1 VAL 39 3HG1 VAL 39 -0.485 5.974 9.164 329 1HG2 VAL 39 1HG2 VAL 39 -1.168 1.982 7.874 330 2HG2 VAL 39 3HG2 VAL 39 -0.606 2.275 9.519 331 3HG2 VAL 39 2HG2 VAL 39 -2.247 2.723 9.056 332 H GLY 40 H GLY 40 -2.787 6.547 7.659 333 1HA GLY 40 HA3 GLY 40 -0.831 8.556 7.528 334 2HA GLY 40 HA2 GLY 40 -2.567 8.823 7.492 335 H PHE 41 H PHE 41 -2.096 6.824 5.001 336 HA PHE 41 HA PHE 41 -1.650 9.033 3.110 337 1HB PHE 41 HB2 PHE 41 -0.764 6.151 2.863 338 2HB PHE 41 HB3 PHE 41 -0.634 7.349 1.578 339 HD1 PHE 41 HD1 PHE 41 0.101 9.679 3.389 340 HD2 PHE 41 HD2 PHE 41 1.563 5.696 3.118 341 HE1 PHE 41 HE1 PHE 41 2.275 10.421 4.283 342 HE2 PHE 41 HE2 PHE 41 3.734 6.424 4.017 343 HZ PHE 41 HZ PHE 41 4.093 8.789 4.601 344 H VAL 42 H VAL 42 -4.098 7.890 4.286 345 HA VAL 42 HA VAL 42 -5.447 6.330 2.339 346 HB VAL 42 HB VAL 42 -6.247 6.351 4.620 347 1HG1 VAL 42 3HG1 VAL 42 -5.609 8.618 5.232 348 2HG1 VAL 42 2HG1 VAL 42 -6.869 9.270 4.185 349 3HG1 VAL 42 1HG1 VAL 42 -7.306 8.323 5.607 350 1HG2 VAL 42 3HG2 VAL 42 -7.888 5.911 2.876 351 2HG2 VAL 42 2HG2 VAL 42 -8.633 6.749 4.237 352 3HG2 VAL 42 1HG2 VAL 42 -8.246 7.634 2.760 353 H GLY 43 H GLY 43 -6.481 6.894 0.522 354 1HA GLY 43 HA3 GLY 43 -7.239 9.697 0.114 355 2HA GLY 43 HA2 GLY 43 -7.815 8.326 -0.821 356 H LYS 44 H LYS 44 -4.427 8.808 -0.088 357 HA LYS 44 HA LYS 44 -3.694 10.249 -2.375 358 1HB LYS 44 HB2 LYS 44 -2.110 8.323 -0.670 359 2HB LYS 44 HB3 LYS 44 -1.410 9.347 -1.911 360 1HG LYS 44 HG2 LYS 44 -2.216 11.331 -0.691 361 2HG LYS 44 HG3 LYS 44 -2.829 10.268 0.578 362 1HD LYS 44 HD2 LYS 44 -0.582 9.463 1.024 363 2HD LYS 44 HD3 LYS 44 0.054 10.450 -0.293 364 1HE LYS 44 HE2 LYS 44 0.441 11.504 1.876 365 2HE LYS 44 HE3 LYS 44 -0.634 12.474 0.870 366 1HZ LYS 44 HZ2 LYS 44 -2.519 11.571 2.098 367 2HZ LYS 44 HZ1 LYS 44 -1.474 10.670 3.075 368 3HZ LYS 44 HZ3 LYS 44 -1.440 12.361 3.133 369 H ASP 45 H ASP 45 -2.145 9.304 -4.054 370 HA ASP 45 HA ASP 45 -3.511 7.062 -5.323 371 1HB ASP 45 HB2 ASP 45 -3.085 9.123 -6.627 372 2HB ASP 45 HB3 ASP 45 -1.355 8.884 -6.413 373 H VAL 46 H VAL 46 -0.136 8.061 -4.832 374 HA VAL 46 HA VAL 46 0.801 5.344 -5.194 375 HB VAL 46 HB VAL 46 2.409 7.747 -4.337 376 1HG1 VAL 46 2HG1 VAL 46 3.468 5.572 -3.999 377 2HG1 VAL 46 1HG1 VAL 46 3.210 5.180 -5.699 378 3HG1 VAL 46 3HG1 VAL 46 4.288 6.503 -5.253 379 1HG2 VAL 46 1HG2 VAL 46 1.191 8.201 -6.420 380 2HG2 VAL 46 3HG2 VAL 46 2.936 8.113 -6.662 381 3HG2 VAL 46 2HG2 VAL 46 1.910 6.758 -7.134 382 H LEU 47 H LEU 47 0.187 7.586 -2.639 383 HA LEU 47 HA LEU 47 -0.030 7.314 -0.402 384 1HB LEU 47 HB2 LEU 47 0.921 4.487 -0.628 385 2HB LEU 47 HB3 LEU 47 -0.108 5.202 0.591 386 HG LEU 47 HG LEU 47 -0.952 4.835 -2.279 387 1HD1 LEU 47 3HD1 LEU 47 -1.131 3.007 0.068 388 2HD1 LEU 47 2HD1 LEU 47 -2.433 3.026 -1.125 389 3HD1 LEU 47 1HD1 LEU 47 -0.783 2.644 -1.622 390 1HD2 LEU 47 3HD2 LEU 47 -2.489 5.505 0.220 391 2HD2 LEU 47 2HD2 LEU 47 -2.171 6.575 -1.145 392 3HD2 LEU 47 1HD2 LEU 47 -3.207 5.163 -1.353 393 H SER 48 H SER 48 2.820 5.624 -1.718 394 HA SER 48 HA SER 48 4.537 6.017 0.434 395 1HB SER 48 HB2 SER 48 6.314 5.554 -1.119 396 2HB SER 48 HB3 SER 48 4.941 4.546 -1.553 397 HG SER 48 HG SER 48 6.054 5.717 -3.309 398 H ASP 49 H ASP 49 6.765 7.349 -0.324 399 HA ASP 49 HA ASP 49 6.105 10.010 -1.231 400 1HB ASP 49 HB2 ASP 49 6.785 9.452 1.646 401 2HB ASP 49 HB3 ASP 49 7.120 11.016 0.907 402 H GLU 50 H GLU 50 8.692 9.399 1.031 403 HA GLU 50 HA GLU 50 10.616 9.357 -1.189 404 1HB GLU 50 HB2 GLU 50 12.045 10.891 0.031 405 2HB GLU 50 HB3 GLU 50 10.454 11.606 -0.202 406 1HG GLU 50 HG2 GLU 50 9.849 11.032 2.084 407 2HG GLU 50 HG3 GLU 50 11.439 10.308 2.325 408 H ILE 51 H ILE 51 9.861 8.467 2.121 409 HA ILE 51 HA ILE 51 12.287 7.218 2.773 410 HB ILE 51 HB ILE 51 9.531 6.558 3.791 411 1HG1 ILE 51 2HG1 ILE 51 10.115 8.949 3.983 412 2HG1 ILE 51 3HG1 ILE 51 10.009 8.164 5.545 413 1HG2 ILE 51 2HG2 ILE 51 12.261 6.054 4.972 414 2HG2 ILE 51 1HG2 ILE 51 10.726 5.765 5.790 415 3HG2 ILE 51 3HG2 ILE 51 11.146 4.837 4.351 416 1HD1 ILE 51 1HD1 ILE 51 12.436 8.025 5.660 417 2HD1 ILE 51 3HD1 ILE 51 12.547 8.810 4.085 418 3HD1 ILE 51 2HD1 ILE 51 11.886 9.689 5.462 419 H LEU 52 H LEU 52 9.198 5.614 1.970 420 HA LEU 52 HA LEU 52 10.760 3.443 0.728 421 1HB LEU 52 HB2 LEU 52 8.152 3.206 2.235 422 2HB LEU 52 HB3 LEU 52 8.974 1.892 1.420 423 HG LEU 52 HG LEU 52 9.971 3.396 3.837 424 1HD1 LEU 52 3HD1 LEU 52 8.151 1.837 4.306 425 2HD1 LEU 52 2HD1 LEU 52 9.048 0.548 3.503 426 3HD1 LEU 52 1HD1 LEU 52 9.677 1.269 4.984 427 1HD2 LEU 52 2HD2 LEU 52 11.236 1.150 2.278 428 2HD2 LEU 52 1HD2 LEU 52 11.847 2.797 2.442 429 3HD2 LEU 52 3HD2 LEU 52 11.792 1.733 3.847 430 H GLU 53 H GLU 53 10.362 3.178 -1.375 431 HA GLU 53 HA GLU 53 8.293 4.591 -2.716 432 1HB GLU 53 HB2 GLU 53 10.573 2.929 -3.441 433 2HB GLU 53 HB3 GLU 53 9.183 2.633 -4.476 434 1HG GLU 53 HG2 GLU 53 9.549 5.440 -4.078 435 2HG GLU 53 HG3 GLU 53 11.044 4.701 -4.653 436 H VAL 54 H VAL 54 6.599 3.611 -1.239 437 HA VAL 54 HA VAL 54 5.837 0.895 -1.770 438 HB VAL 54 HB VAL 54 3.783 2.620 -0.589 439 1HG1 VAL 54 1HG1 VAL 54 5.109 0.017 0.123 440 2HG1 VAL 54 3HG1 VAL 54 3.862 0.769 1.116 441 3HG1 VAL 54 2HG1 VAL 54 3.494 0.271 -0.535 442 1HG2 VAL 54 3HG2 VAL 54 6.486 2.364 0.705 443 2HG2 VAL 54 2HG2 VAL 54 5.563 3.830 0.377 444 3HG2 VAL 54 1HG2 VAL 54 5.012 2.703 1.612 445 H VAL 55 H VAL 55 4.427 0.156 -3.194 446 HA VAL 55 HA VAL 55 2.737 2.073 -4.631 447 HB VAL 55 HB VAL 55 4.210 -0.203 -5.944 448 1HG1 VAL 55 3HG1 VAL 55 2.019 0.394 -6.918 449 2HG1 VAL 55 2HG1 VAL 55 2.596 2.044 -7.142 450 3HG1 VAL 55 1HG1 VAL 55 3.362 0.716 -8.015 451 1HG2 VAL 55 3HG2 VAL 55 5.769 1.565 -5.284 452 2HG2 VAL 55 2HG2 VAL 55 5.570 1.524 -7.037 453 3HG2 VAL 55 1HG2 VAL 55 4.755 2.765 -6.085 454 H CYS 56 H CYS 56 1.058 1.391 -3.331 455 HA CYS 56 HA CYS 56 0.207 -1.397 -3.562 456 1HB CYS 56 HB2 CYS 56 0.196 -0.704 -1.302 457 2HB CYS 56 HB3 CYS 56 -0.601 0.817 -1.687 458 HG CYS 56 HG CYS 56 -2.922 -0.818 -2.624 459 H LYS 57 H LYS 57 -1.042 -1.823 -5.201 460 HA LYS 57 HA LYS 57 -2.795 0.255 -6.270 461 1HB LYS 57 HB2 LYS 57 -2.349 -2.475 -7.440 462 2HB LYS 57 HB3 LYS 57 -2.939 -1.033 -8.249 463 1HG LYS 57 HG2 LYS 57 -0.745 0.010 -8.007 464 2HG LYS 57 HG3 LYS 57 -0.147 -1.439 -7.196 465 1HD LYS 57 HD2 LYS 57 -0.614 -2.753 -9.215 466 2HD LYS 57 HD3 LYS 57 -1.188 -1.293 -10.025 467 1HE LYS 57 HE2 LYS 57 1.106 -1.809 -10.670 468 2HE LYS 57 HE3 LYS 57 1.022 -0.285 -9.786 469 1HZ LYS 57 HZ2 LYS 57 1.754 -1.442 -7.794 470 2HZ LYS 57 HZ1 LYS 57 1.840 -2.902 -8.645 471 3HZ LYS 57 HZ3 LYS 57 2.880 -1.628 -9.042 472 H TYR 58 H TYR 58 -4.732 0.358 -5.458 473 HA TYR 58 HA TYR 58 -6.010 -1.906 -4.206 474 1HB TYR 58 HB2 TYR 58 -6.175 0.464 -3.340 475 2HB TYR 58 HB3 TYR 58 -7.161 0.844 -4.747 476 HD1 TYR 58 HD1 TYR 58 -8.725 -1.844 -4.717 477 HD2 TYR 58 HD2 TYR 58 -7.788 1.018 -1.693 478 HE1 TYR 58 HE1 TYR 58 -10.740 -2.515 -3.501 479 HE2 TYR 58 HE2 TYR 58 -9.828 0.369 -0.470 480 HH TYR 58 HH TYR 58 -11.612 -2.425 -1.194 481 H THR 59 H THR 59 -6.834 -3.412 -5.504 482 HA THR 59 HA THR 59 -8.372 -2.541 -7.865 483 HB THR 59 HB THR 59 -6.906 -5.167 -7.552 484 HG1 THR 59 HG1 THR 59 -5.613 -4.042 -9.327 485 1HG2 THR 59 1HG2 THR 59 -8.225 -3.871 -9.943 486 2HG2 THR 59 3HG2 THR 59 -7.320 -5.384 -9.967 487 3HG2 THR 59 2HG2 THR 59 -8.827 -5.272 -9.057 488 HA PRO 60 HA PRO 60 -11.628 -4.836 -5.789 489 1HB PRO 60 HB2 PRO 60 -13.424 -3.882 -7.817 490 2HB PRO 60 HB3 PRO 60 -13.260 -3.295 -6.166 491 1HG PRO 60 HG2 PRO 60 -12.628 -1.820 -8.372 492 2HG PRO 60 HG3 PRO 60 -11.838 -1.605 -6.798 493 1HD PRO 60 HD2 PRO 60 -10.910 -3.197 -9.168 494 2HD PRO 60 HD3 PRO 60 -10.012 -2.029 -8.180 495 H THR 61 H THR 61 -13.857 -5.632 -7.505 496 HA THR 61 HA THR 61 -12.544 -7.755 -9.080 497 HB THR 61 HB THR 61 -15.280 -8.078 -7.896 498 HG1 THR 61 HG1 THR 61 -13.672 -9.412 -6.371 499 1HG2 THR 61 1HG2 THR 61 -13.135 -10.039 -8.709 500 2HG2 THR 61 3HG2 THR 61 -14.719 -10.461 -8.055 501 3HG2 THR 61 2HG2 THR 61 -14.596 -9.659 -9.622 502 HA PRO 62 HA PRO 62 -14.552 -6.078 -12.665 503 1HB PRO 62 HB2 PRO 62 -14.661 -8.472 -14.063 504 2HB PRO 62 HB3 PRO 62 -13.269 -7.386 -14.024 505 1HG PRO 62 HG2 PRO 62 -13.796 -9.850 -12.405 506 2HG PRO 62 HG3 PRO 62 -12.286 -9.313 -13.167 507 1HD PRO 62 HD2 PRO 62 -12.691 -9.006 -10.548 508 2HD PRO 62 HD3 PRO 62 -11.875 -7.742 -11.495 509 H SER 63 H SER 63 -16.543 -6.329 -13.874 510 HA SER 63 HA SER 63 -18.482 -8.288 -13.106 511 1HB SER 63 HB2 SER 63 -18.584 -6.746 -11.157 512 2HB SER 63 HB3 SER 63 -18.998 -5.429 -12.257 513 HG SER 63 HG SER 63 -20.849 -6.687 -12.867 514 H SER 64 H SER 64 -20.531 -8.016 -14.256 515 HA SER 64 HA SER 64 -20.426 -6.131 -16.496 516 1HB SER 64 HB2 SER 64 -21.064 -7.916 -18.082 517 2HB SER 64 HB3 SER 64 -19.486 -8.218 -17.354 518 HG SER 64 HG SER 64 -21.173 -9.377 -15.764 519 H THR 65 H THR 65 -22.126 -7.331 -13.960 520 HA THR 65 HA THR 65 -24.566 -6.142 -14.856 521 HB THR 65 HB THR 65 -24.606 -9.112 -14.321 522 HG1 THR 65 HG1 THR 65 -25.512 -8.989 -16.569 523 1HG2 THR 65 3HG2 THR 65 -26.854 -7.202 -14.974 524 2HG2 THR 65 2HG2 THR 65 -27.000 -8.955 -14.841 525 3HG2 THR 65 1HG2 THR 65 -26.584 -7.995 -13.422 526 HA PRO 66 HA PRO 66 -25.009 -7.547 -10.252 527 1HB PRO 66 HB2 PRO 66 -22.394 -8.663 -9.536 528 2HB PRO 66 HB3 PRO 66 -24.003 -9.354 -9.312 529 1HG PRO 66 HG2 PRO 66 -22.262 -10.358 -11.104 530 2HG PRO 66 HG3 PRO 66 -24.012 -10.347 -11.396 531 1HD PRO 66 HD2 PRO 66 -21.910 -8.469 -12.429 532 2HD PRO 66 HD3 PRO 66 -23.263 -9.220 -13.300 533 H MET 67 H MET 67 -24.424 -6.426 -8.325 534 HA MET 67 HA MET 67 -22.052 -4.735 -8.396 535 1HB MET 67 HB2 MET 67 -24.860 -3.621 -8.211 536 2HB MET 67 HB3 MET 67 -23.398 -2.700 -7.890 537 1HG MET 67 HG2 MET 67 -22.670 -3.039 -10.192 538 2HG MET 67 HG3 MET 67 -24.130 -3.972 -10.517 539 1HE MET 67 HE1 MET 67 -23.207 -1.482 -12.279 540 2HE MET 67 HE3 MET 67 -24.673 -2.408 -12.602 541 3HE MET 67 HE2 MET 67 -24.745 -0.649 -12.506 542 H VAL 68 H VAL 68 -23.503 -6.951 -6.835 543 HA VAL 68 HA VAL 68 -23.457 -5.664 -4.193 544 HB VAL 68 HB VAL 68 -25.581 -6.808 -4.993 545 1HG1 VAL 68 3HG1 VAL 68 -24.530 -8.752 -6.029 546 2HG1 VAL 68 2HG1 VAL 68 -23.968 -9.295 -4.448 547 3HG1 VAL 68 1HG1 VAL 68 -25.695 -9.231 -4.795 548 1HG2 VAL 68 1HG2 VAL 68 -25.200 -6.248 -2.654 549 2HG2 VAL 68 3HG2 VAL 68 -26.054 -7.784 -2.796 550 3HG2 VAL 68 2HG2 VAL 68 -24.332 -7.765 -2.419 551 H GLY 69 H GLY 69 -21.185 -6.690 -5.806 552 1HA GLY 69 HA3 GLY 69 -20.201 -9.127 -4.888 553 2HA GLY 69 HA2 GLY 69 -19.730 -7.914 -3.708 554 H VAL 70 H VAL 70 -18.207 -6.355 -4.254 555 HA VAL 70 HA VAL 70 -16.576 -7.051 -6.576 556 HB VAL 70 HB VAL 70 -17.880 -5.226 -7.407 557 1HG1 VAL 70 2HG1 VAL 70 -18.658 -4.337 -5.266 558 2HG1 VAL 70 1HG1 VAL 70 -17.056 -3.664 -4.964 559 3HG1 VAL 70 3HG1 VAL 70 -18.026 -3.062 -6.308 560 1HG2 VAL 70 3HG2 VAL 70 -15.431 -5.243 -7.887 561 2HG2 VAL 70 2HG2 VAL 70 -16.185 -3.655 -8.010 562 3HG2 VAL 70 1HG2 VAL 70 -15.223 -4.067 -6.591 563 H GLY 71 H GLY 71 -15.251 -8.018 -4.932 564 1HA GLY 71 HA3 GLY 71 -14.081 -7.516 -2.751 565 2HA GLY 71 HA2 GLY 71 -13.597 -6.019 -3.527 566 H GLY 72 H GLY 72 -11.715 -5.982 -4.564 567 1HA GLY 72 HA3 GLY 72 -10.036 -6.825 -5.983 568 2HA GLY 72 HA2 GLY 72 -10.624 -8.450 -5.684 569 H ILE 73 H ILE 73 -8.082 -6.492 -5.175 570 HA ILE 73 HA ILE 73 -7.517 -7.343 -2.466 571 HB ILE 73 HB ILE 73 -5.381 -8.341 -3.002 572 1HG1 ILE 73 2HG1 ILE 73 -6.001 -8.644 -5.877 573 2HG1 ILE 73 3HG1 ILE 73 -5.412 -7.071 -5.342 574 1HG2 ILE 73 1HG2 ILE 73 -7.370 -9.757 -2.776 575 2HG2 ILE 73 3HG2 ILE 73 -7.559 -9.721 -4.531 576 3HG2 ILE 73 2HG2 ILE 73 -6.126 -10.459 -3.810 577 1HD1 ILE 73 1HD1 ILE 73 -3.469 -8.181 -4.318 578 2HD1 ILE 73 3HD1 ILE 73 -4.044 -9.722 -4.959 579 3HD1 ILE 73 2HD1 ILE 73 -3.563 -8.431 -6.065 580 H TYR 74 H TYR 74 -4.798 -6.828 -2.435 581 HA TYR 74 HA TYR 74 -4.490 -4.083 -3.395 582 1HB TYR 74 HB2 TYR 74 -3.839 -4.783 -0.537 583 2HB TYR 74 HB3 TYR 74 -4.041 -3.187 -1.260 584 HD1 TYR 74 HD1 TYR 74 -6.246 -2.259 -1.622 585 HD2 TYR 74 HD2 TYR 74 -5.787 -6.130 0.070 586 HE1 TYR 74 HE1 TYR 74 -8.607 -2.258 -0.966 587 HE2 TYR 74 HE2 TYR 74 -8.151 -6.130 0.729 588 HH TYR 74 HH TYR 74 -9.936 -4.504 1.189 589 H VAL 75 H VAL 75 -2.770 -4.415 -4.699 590 HA VAL 75 HA VAL 75 -0.607 -6.166 -3.885 591 HB VAL 75 HB VAL 75 -0.893 -4.483 -6.380 592 1HG1 VAL 75 3HG1 VAL 75 1.061 -6.682 -5.706 593 2HG1 VAL 75 2HG1 VAL 75 0.899 -5.902 -7.279 594 3HG1 VAL 75 1HG1 VAL 75 1.438 -4.969 -5.884 595 1HG2 VAL 75 3HG2 VAL 75 -1.402 -7.419 -5.920 596 2HG2 VAL 75 2HG2 VAL 75 -2.620 -6.184 -6.241 597 3HG2 VAL 75 1HG2 VAL 75 -1.442 -6.606 -7.484 598 H VAL 76 H VAL 76 0.413 -5.169 -2.179 599 HA VAL 76 HA VAL 76 1.304 -2.413 -2.422 600 HB VAL 76 HB VAL 76 1.872 -4.353 -0.182 601 1HG1 VAL 76 3HG1 VAL 76 1.907 -1.339 -0.305 602 2HG1 VAL 76 2HG1 VAL 76 2.172 -2.308 1.144 603 3HG1 VAL 76 1HG1 VAL 76 3.313 -2.399 -0.198 604 1HG2 VAL 76 1HG2 VAL 76 -0.576 -4.049 -0.678 605 2HG2 VAL 76 3HG2 VAL 76 -0.068 -3.580 0.944 606 3HG2 VAL 76 2HG2 VAL 76 -0.367 -2.344 -0.278 607 H LEU 77 H LEU 77 3.225 -1.833 -3.196 608 HA LEU 77 HA LEU 77 5.413 -3.804 -3.190 609 1HB LEU 77 HB2 LEU 77 4.755 -1.669 -5.212 610 2HB LEU 77 HB3 LEU 77 6.267 -2.554 -5.200 611 HG LEU 77 HG LEU 77 3.505 -3.722 -5.603 612 1HD1 LEU 77 3HD1 LEU 77 4.316 -2.468 -7.529 613 2HD1 LEU 77 2HD1 LEU 77 5.820 -3.389 -7.508 614 3HD1 LEU 77 1HD1 LEU 77 4.294 -4.199 -7.866 615 1HD2 LEU 77 1HD2 LEU 77 5.269 -5.128 -4.365 616 2HD2 LEU 77 3HD2 LEU 77 4.453 -5.841 -5.759 617 3HD2 LEU 77 2HD2 LEU 77 6.088 -5.203 -5.926 618 H VAL 78 H VAL 78 6.403 -3.146 -1.316 619 HA VAL 78 HA VAL 78 7.039 -0.307 -1.004 620 HB VAL 78 HB VAL 78 8.116 -2.182 0.995 621 1HG1 VAL 78 1HG1 VAL 78 8.150 0.303 1.191 622 2HG1 VAL 78 3HG1 VAL 78 6.386 0.287 1.281 623 3HG1 VAL 78 2HG1 VAL 78 7.343 -0.496 2.539 624 1HG2 VAL 78 3HG2 VAL 78 5.141 -1.840 0.642 625 2HG2 VAL 78 2HG2 VAL 78 6.053 -3.345 0.516 626 3HG2 VAL 78 1HG2 VAL 78 5.919 -2.522 2.070 627 H LYS 79 H LYS 79 8.684 0.310 -2.231 628 HA LYS 79 HA LYS 79 11.073 -1.383 -2.412 629 1HB LYS 79 HB2 LYS 79 9.892 0.759 -4.120 630 2HB LYS 79 HB3 LYS 79 11.634 0.528 -4.162 631 1HG LYS 79 HG2 LYS 79 11.294 -1.825 -4.767 632 2HG LYS 79 HG3 LYS 79 9.539 -1.559 -4.774 633 1HD LYS 79 HD2 LYS 79 11.525 -0.094 -6.520 634 2HD LYS 79 HD3 LYS 79 10.559 -1.478 -7.035 635 1HE LYS 79 HE2 LYS 79 8.511 -0.216 -6.582 636 2HE LYS 79 HE3 LYS 79 9.477 1.169 -6.074 637 1HZ LYS 79 HZ1 LYS 79 9.484 -0.035 -8.790 638 2HZ LYS 79 HZ3 LYS 79 8.716 1.408 -8.352 639 3HZ LYS 79 HZ2 LYS 79 10.402 1.298 -8.300 640 HA PRO 80 HA PRO 80 12.535 1.362 0.939 641 1HB PRO 80 HB2 PRO 80 15.077 0.130 0.726 642 2HB PRO 80 HB3 PRO 80 13.832 -0.184 1.936 643 1HG PRO 80 HG2 PRO 80 14.487 -1.679 -0.534 644 2HG PRO 80 HG3 PRO 80 13.792 -2.263 0.987 645 1HD PRO 80 HD2 PRO 80 12.308 -1.997 -1.236 646 2HD PRO 80 HD3 PRO 80 11.639 -1.672 0.378 647 H ARG 81 H ARG 81 12.756 3.344 0.104 648 HA ARG 81 HA ARG 81 14.489 3.911 -2.117 649 1HB ARG 81 HB2 ARG 81 12.409 5.264 -0.631 650 2HB ARG 81 HB3 ARG 81 13.784 6.327 -0.894 651 1HG ARG 81 HG2 ARG 81 13.651 5.954 -3.281 652 2HG ARG 81 HG3 ARG 81 12.339 4.796 -3.047 653 1HD ARG 81 HD2 ARG 81 10.897 6.518 -2.197 654 2HD ARG 81 HD3 ARG 81 12.212 7.692 -2.228 655 HE ARG 81 HE ARG 81 11.492 6.486 -4.771 656 1HH1 ARG 81 1HH1 ARG 81 11.216 9.202 -2.609 657 2HH1 ARG 81 2HH1 ARG 81 10.689 10.297 -3.843 658 1HH2 ARG 81 1HH2 ARG 81 10.801 7.919 -6.404 659 2HH2 ARG 81 2HH2 ARG 81 10.454 9.568 -6.000 660 H LYS 82 H LYS 82 14.481 4.707 1.349 661 HA LYS 82 HA LYS 82 17.260 5.618 1.103 662 1HB LYS 82 HB2 LYS 82 15.366 5.966 3.431 663 2HB LYS 82 HB3 LYS 82 16.940 6.722 3.238 664 1HG LYS 82 HG2 LYS 82 16.117 7.977 1.320 665 2HG LYS 82 HG3 LYS 82 14.539 7.204 1.486 666 1HD LYS 82 HD2 LYS 82 14.374 8.164 3.774 667 2HD LYS 82 HD3 LYS 82 15.878 9.036 3.472 668 1HE LYS 82 HE2 LYS 82 13.314 9.316 1.910 669 2HE LYS 82 HE3 LYS 82 13.945 10.468 3.086 670 1HZ LYS 82 HZ1 LYS 82 15.271 9.702 0.540 671 2HZ LYS 82 HZ3 LYS 82 14.438 11.149 0.821 672 3HZ LYS 82 HZ2 LYS 82 15.865 10.817 1.666 673 H ARG 83 H ARG 83 18.813 4.957 2.712 674 HA ARG 83 HA ARG 83 18.416 2.171 3.502 675 1HB ARG 83 HB2 ARG 83 20.923 3.863 3.482 676 2HB ARG 83 HB3 ARG 83 20.852 2.144 3.843 677 1HG ARG 83 HG2 ARG 83 20.144 1.650 1.597 678 2HG ARG 83 HG3 ARG 83 20.043 3.371 1.217 679 1HD ARG 83 HD2 ARG 83 22.447 3.596 1.588 680 2HD ARG 83 HD3 ARG 83 22.551 1.880 1.977 681 HE ARG 83 HE ARG 83 21.397 2.158 -0.561 682 1HH1 ARG 83 1HH1 ARG 83 24.450 2.641 1.048 683 2HH1 ARG 83 2HH1 ARG 83 25.393 2.359 -0.377 684 1HH2 ARG 83 1HH2 ARG 83 22.630 1.786 -2.442 685 2HH2 ARG 83 2HH2 ARG 83 24.358 1.873 -2.361 686 H GLY 84 H GLY 84 17.954 1.630 5.534 687 1HA GLY 84 HA3 GLY 84 18.094 3.674 7.608 688 2HA GLY 84 HA2 GLY 84 19.080 2.242 7.863 689 H HIS 85 H HIS 85 16.895 3.192 9.491 690 HA HIS 85 HA HIS 85 15.331 0.738 9.520 691 1HB HIS 85 HB2 HIS 85 15.474 3.022 11.499 692 2HB HIS 85 HB3 HIS 85 14.550 1.541 11.730 693 HD1 HIS 85 HD1 HIS 85 17.889 2.976 12.164 694 HD2 HIS 85 HD2 HIS 85 16.209 -0.821 11.998 695 HE1 HIS 85 HE1 HIS 85 19.626 1.430 13.122 696 HE2 HIS 85 HE2 HIS 85 18.620 -0.873 12.931 697 H HIS 86 H HIS 86 13.663 0.778 8.137 698 HA HIS 86 HA HIS 86 11.834 3.084 8.277 699 1HB HIS 86 HB2 HIS 86 12.414 1.346 5.868 700 2HB HIS 86 HB3 HIS 86 11.249 2.667 5.925 701 HD1 HIS 86 HD1 HIS 86 13.193 4.622 7.533 702 HD2 HIS 86 HD2 HIS 86 14.080 2.582 4.025 703 HE1 HIS 86 HE1 HIS 86 15.055 5.920 6.455 704 HE2 HIS 86 HE2 HIS 86 15.656 4.598 4.396 705 H THR 87 H THR 87 9.603 2.304 7.200 706 HA THR 87 HA THR 87 8.888 -0.403 7.865 707 HB THR 87 HB THR 87 7.812 1.860 9.554 708 HG1 THR 87 HG1 THR 87 9.077 1.070 11.082 709 1HG2 THR 87 1HG2 THR 87 7.020 -1.054 9.471 710 2HG2 THR 87 3HG2 THR 87 6.480 0.114 10.678 711 3HG2 THR 87 2HG2 THR 87 6.020 0.317 8.986 712 H LEU 88 H LEU 88 6.741 -0.958 7.293 713 HA LEU 88 HA LEU 88 5.280 1.037 5.716 714 1HB LEU 88 HB2 LEU 88 6.532 -0.398 4.178 715 2HB LEU 88 HB3 LEU 88 5.824 -1.822 4.904 716 HG LEU 88 HG LEU 88 4.901 -0.818 2.634 717 1HD1 LEU 88 3HD1 LEU 88 4.098 -2.823 3.895 718 2HD1 LEU 88 2HD1 LEU 88 2.980 -1.755 4.746 719 3HD1 LEU 88 1HD1 LEU 88 2.852 -1.954 3.000 720 1HD2 LEU 88 1HD2 LEU 88 4.449 1.401 3.608 721 2HD2 LEU 88 3HD2 LEU 88 3.016 0.634 2.920 722 3HD2 LEU 88 2HD2 LEU 88 3.249 0.658 4.667 723 H GLU 89 H GLU 89 3.747 1.320 7.283 724 HA GLU 89 HA GLU 89 2.272 -1.059 8.152 725 1HB GLU 89 HB2 GLU 89 1.248 0.839 9.725 726 2HB GLU 89 HB3 GLU 89 2.729 -0.022 10.126 727 1HG GLU 89 HG2 GLU 89 4.082 1.766 9.488 728 2HG GLU 89 HG3 GLU 89 2.780 2.537 8.585 729 H LEU 90 H LEU 90 0.425 -1.484 7.244 730 HA LEU 90 HA LEU 90 -0.978 0.606 5.752 731 1HB LEU 90 HB2 LEU 90 -1.539 -2.357 5.743 732 2HB LEU 90 HB3 LEU 90 -2.117 -1.162 4.599 733 HG LEU 90 HG LEU 90 0.760 -2.033 4.921 734 1HD1 LEU 90 1HD1 LEU 90 -0.635 -3.772 3.943 735 2HD1 LEU 90 3HD1 LEU 90 -1.247 -2.626 2.752 736 3HD1 LEU 90 2HD1 LEU 90 0.455 -3.085 2.739 737 1HD2 LEU 90 3HD2 LEU 90 0.415 0.342 4.201 738 2HD2 LEU 90 2HD2 LEU 90 1.265 -0.669 3.031 739 3HD2 LEU 90 1HD2 LEU 90 -0.440 -0.274 2.788 740 H VAL 91 H VAL 91 -3.490 0.276 5.822 741 HA VAL 91 HA VAL 91 -4.501 -0.653 8.354 742 HB VAL 91 HB VAL 91 -3.565 1.480 9.049 743 1HG1 VAL 91 3HG1 VAL 91 -5.275 2.649 6.860 744 2HG1 VAL 91 2HG1 VAL 91 -4.472 3.595 8.112 745 3HG1 VAL 91 1HG1 VAL 91 -3.513 2.662 6.963 746 1HG2 VAL 91 3HG2 VAL 91 -6.574 1.476 8.895 747 2HG2 VAL 91 2HG2 VAL 91 -5.567 0.822 10.186 748 3HG2 VAL 91 1HG2 VAL 91 -5.630 2.562 9.914 749 H TYR 92 H TYR 92 -6.750 -0.711 8.479 750 HA TYR 92 HA TYR 92 -8.137 -0.456 5.921 751 1HB TYR 92 HB2 TYR 92 -8.189 -2.470 7.679 752 2HB TYR 92 HB3 TYR 92 -9.482 -1.502 8.373 753 HD1 TYR 92 HD1 TYR 92 -11.381 -2.788 7.940 754 HD2 TYR 92 HD2 TYR 92 -8.665 -1.967 4.767 755 HE1 TYR 92 HE1 TYR 92 -12.969 -3.762 6.336 756 HE2 TYR 92 HE2 TYR 92 -10.249 -2.935 3.155 757 HH TYR 92 HH TYR 92 -13.476 -3.628 3.935 758 H THR 93 H THR 93 -8.279 1.829 5.871 759 HA THR 93 HA THR 93 -9.894 3.094 7.986 760 HB THR 93 HB THR 93 -7.775 4.173 7.736 761 HG1 THR 93 HG1 THR 93 -8.875 6.163 6.400 762 1HG2 THR 93 1HG2 THR 93 -7.226 3.341 5.495 763 2HG2 THR 93 3HG2 THR 93 -8.428 4.428 4.796 764 3HG2 THR 93 2HG2 THR 93 -7.004 5.088 5.603 765 H ARG 94 H ARG 94 -11.184 5.045 7.161 766 HA ARG 94 HA ARG 94 -12.731 4.188 4.814 767 1HB ARG 94 HB2 ARG 94 -13.492 6.061 7.061 768 2HB ARG 94 HB3 ARG 94 -14.529 5.622 5.712 769 1HG ARG 94 HG2 ARG 94 -14.426 3.266 6.447 770 2HG ARG 94 HG3 ARG 94 -13.489 3.783 7.851 771 1HD ARG 94 HD2 ARG 94 -15.849 3.515 8.413 772 2HD ARG 94 HD3 ARG 94 -15.334 5.192 8.583 773 HE ARG 94 HE ARG 94 -16.367 4.923 6.024 774 1HH1 ARG 94 1HH1 ARG 94 -17.496 4.640 9.308 775 2HH1 ARG 94 2HH1 ARG 94 -19.118 5.109 8.927 776 1HH2 ARG 94 1HH2 ARG 94 -18.501 5.542 5.513 777 2HH2 ARG 94 2HH2 ARG 94 -19.689 5.621 6.770 778 HA PRO 95 HA PRO 95 -10.331 7.641 2.932 779 1HB PRO 95 HB2 PRO 95 -11.997 6.601 0.682 780 2HB PRO 95 HB3 PRO 95 -10.293 7.064 0.697 781 1HG PRO 95 HG2 PRO 95 -11.003 4.500 0.721 782 2HG PRO 95 HG3 PRO 95 -9.630 5.073 1.685 783 1HD PRO 95 HD2 PRO 95 -12.366 4.294 2.559 784 2HD PRO 95 HD3 PRO 95 -10.817 4.123 3.403 785 H PHE 96 H PHE 96 -13.766 6.893 2.782 786 HA PHE 96 HA PHE 96 -14.574 9.434 1.802 787 1HB PHE 96 HB2 PHE 96 -16.091 7.199 3.151 788 2HB PHE 96 HB3 PHE 96 -16.834 8.606 2.420 789 HD1 PHE 96 HD1 PHE 96 -17.183 8.749 0.087 790 HD2 PHE 96 HD2 PHE 96 -14.851 5.587 1.721 791 HE1 PHE 96 HE1 PHE 96 -17.217 7.603 -2.090 792 HE2 PHE 96 HE2 PHE 96 -14.880 4.436 -0.453 793 HZ PHE 96 HZ PHE 96 -16.065 5.445 -2.363 794 H GLU 97 H GLU 97 -14.208 7.987 4.991 795 HA GLU 97 HA GLU 97 -15.136 10.497 6.214 796 1HB GLU 97 HB2 GLU 97 -14.783 7.794 7.523 797 2HB GLU 97 HB3 GLU 97 -15.483 9.229 8.260 798 1HG GLU 97 HG2 GLU 97 -16.621 7.707 5.927 799 2HG GLU 97 HG3 GLU 97 -17.196 7.641 7.592 800 H GLY 98 H GLY 98 -12.971 7.973 7.438 801 1HA GLY 98 HA3 GLY 98 -11.270 9.796 8.757 802 2HA GLY 98 HA2 GLY 98 -10.541 9.345 7.222 803 H ILE 99 H ILE 99 -9.116 8.736 9.320 804 HA ILE 99 HA ILE 99 -9.299 5.824 9.396 805 HB ILE 99 HB ILE 99 -7.007 7.447 10.442 806 1HG1 ILE 99 2HG1 ILE 99 -7.211 6.468 7.600 807 2HG1 ILE 99 3HG1 ILE 99 -7.707 8.097 8.055 808 1HG2 ILE 99 3HG2 ILE 99 -7.448 4.633 9.519 809 2HG2 ILE 99 2HG2 ILE 99 -5.827 5.334 9.511 810 3HG2 ILE 99 1HG2 ILE 99 -6.730 5.215 11.023 811 1HD1 ILE 99 1HD1 ILE 99 -4.957 6.918 8.402 812 2HD1 ILE 99 3HD1 ILE 99 -5.449 8.072 7.163 813 3HD1 ILE 99 2HD1 ILE 99 -5.447 8.548 8.862 814 H LYS 100 H LYS 100 -9.163 4.644 11.319 815 HA LYS 100 HA LYS 100 -9.572 6.149 13.809 816 1HB LYS 100 HB2 LYS 100 -11.130 3.643 13.398 817 2HB LYS 100 HB3 LYS 100 -11.530 5.067 14.347 818 1HG LYS 100 HG2 LYS 100 -11.981 6.308 12.287 819 2HG LYS 100 HG3 LYS 100 -11.641 4.851 11.350 820 1HD LYS 100 HD2 LYS 100 -13.686 4.043 11.719 821 2HD LYS 100 HD3 LYS 100 -13.557 4.335 13.455 822 1HE LYS 100 HE2 LYS 100 -14.154 6.684 13.093 823 2HE LYS 100 HE3 LYS 100 -14.314 6.373 11.363 824 1HZ LYS 100 HZ2 LYS 100 -16.093 4.807 11.851 825 2HZ LYS 100 HZ1 LYS 100 -15.944 5.118 13.507 826 3HZ LYS 100 HZ3 LYS 100 -16.461 6.342 12.458 827 HA PRO 101 HA PRO 101 -6.915 3.085 15.575 828 1HB PRO 101 HB2 PRO 101 -7.843 2.726 18.075 829 2HB PRO 101 HB3 PRO 101 -7.147 4.257 17.538 830 1HG PRO 101 HG2 PRO 101 -9.982 3.527 17.999 831 2HG PRO 101 HG3 PRO 101 -9.182 5.096 18.169 832 1HD PRO 101 HD2 PRO 101 -10.759 4.228 16.000 833 2HD PRO 101 HD3 PRO 101 -9.749 5.682 16.053 834 H GLU 102 H GLU 102 -10.316 2.219 16.080 835 HA GLU 102 HA GLU 102 -9.878 -0.505 16.649 836 1HB GLU 102 HB2 GLU 102 -12.286 -0.775 16.077 837 2HB GLU 102 HB3 GLU 102 -11.970 0.505 17.242 838 1HG GLU 102 HG2 GLU 102 -12.111 2.157 15.466 839 2HG GLU 102 HG3 GLU 102 -12.432 0.876 14.301 840 H ASN 103 H ASN 103 -9.451 1.216 13.825 841 HA ASN 103 HA ASN 103 -10.312 -0.605 11.857 842 1HB ASN 103 HB2 ASN 103 -8.205 1.556 11.843 843 2HB ASN 103 HB3 ASN 103 -8.631 0.630 10.407 844 1HD2 ASN 103 1HD2 ASN 103 -11.114 1.295 12.693 845 2HD2 ASN 103 2HD2 ASN 103 -11.917 2.526 11.787 846 H GLU 104 H GLU 104 -8.886 -1.846 10.396 847 HA GLU 104 HA GLU 104 -7.234 -3.620 11.889 848 1HB GLU 104 HB2 GLU 104 -8.730 -4.178 9.899 849 2HB GLU 104 HB3 GLU 104 -7.465 -3.494 8.891 850 1HG GLU 104 HG2 GLU 104 -7.376 -5.951 9.089 851 2HG GLU 104 HG3 GLU 104 -5.905 -5.133 9.598 852 H ARG 105 H ARG 105 -5.040 -4.263 11.020 853 HA ARG 105 HA ARG 105 -3.497 -2.010 9.968 854 1HB ARG 105 HB2 ARG 105 -3.345 -1.767 12.388 855 2HB ARG 105 HB3 ARG 105 -2.879 -3.449 12.557 856 1HG ARG 105 HG2 ARG 105 -0.771 -2.724 12.564 857 2HG ARG 105 HG3 ARG 105 -0.985 -2.449 10.832 858 1HD ARG 105 HD2 ARG 105 -0.129 -0.444 11.847 859 2HD ARG 105 HD3 ARG 105 -1.789 -0.172 11.315 860 HE ARG 105 HE ARG 105 -1.873 -0.993 13.973 861 1HH1 ARG 105 1HH1 ARG 105 -0.706 1.705 12.099 862 2HH1 ARG 105 2HH1 ARG 105 -0.904 2.849 13.384 863 1HH2 ARG 105 1HH2 ARG 105 -2.137 0.509 15.670 864 2HH2 ARG 105 2HH2 ARG 105 -1.717 2.169 15.414 865 H TYR 106 H TYR 106 -1.391 -2.617 9.197 866 HA TYR 106 HA TYR 106 -0.581 -5.364 9.177 867 1HB TYR 106 HB2 TYR 106 -2.216 -5.395 7.353 868 2HB TYR 106 HB3 TYR 106 -1.344 -4.091 6.544 869 HD1 TYR 106 HD1 TYR 106 -1.347 -7.646 7.404 870 HD2 TYR 106 HD2 TYR 106 0.801 -4.536 5.451 871 HE1 TYR 106 HE1 TYR 106 0.076 -9.325 6.310 872 HE2 TYR 106 HE2 TYR 106 2.232 -6.205 4.352 873 HH TYR 106 HH TYR 106 1.493 -9.519 4.314 874 H THR 107 H THR 107 1.134 -4.372 10.264 875 HA THR 107 HA THR 107 2.724 -2.358 8.997 876 HB THR 107 HB THR 107 3.669 -4.057 11.284 877 HG1 THR 107 HG1 THR 107 2.241 -3.152 12.582 878 1HG2 THR 107 1HG2 THR 107 4.060 -1.156 10.533 879 2HG2 THR 107 3HG2 THR 107 4.727 -1.936 11.968 880 3HG2 THR 107 2HG2 THR 107 5.248 -2.449 10.363 881 H LEU 108 H LEU 108 4.958 -2.593 8.448 882 HA LEU 108 HA LEU 108 6.028 -5.221 7.949 883 1HB LEU 108 HB2 LEU 108 4.698 -5.082 5.989 884 2HB LEU 108 HB3 LEU 108 5.139 -3.412 5.712 885 HG LEU 108 HG LEU 108 7.475 -4.177 5.227 886 1HD1 LEU 108 3HD1 LEU 108 6.185 -6.891 5.421 887 2HD1 LEU 108 2HD1 LEU 108 7.748 -6.585 4.664 888 3HD1 LEU 108 1HD1 LEU 108 7.524 -6.269 6.385 889 1HD2 LEU 108 3HD2 LEU 108 5.275 -5.318 3.511 890 2HD2 LEU 108 2HD2 LEU 108 5.924 -3.682 3.429 891 3HD2 LEU 108 1HD2 LEU 108 6.943 -5.056 2.999 892 H HIS 109 H HIS 109 7.597 -4.359 9.410 893 HA HIS 109 HA HIS 109 9.057 -2.009 8.833 894 1HB HIS 109 HB2 HIS 109 9.562 -4.311 10.645 895 2HB HIS 109 HB3 HIS 109 10.746 -3.036 10.458 896 HD1 HIS 109 HD1 HIS 109 10.539 -1.274 12.169 897 HD2 HIS 109 HD2 HIS 109 6.880 -3.097 11.394 898 HE1 HIS 109 HE1 HIS 109 8.897 -0.173 13.723 899 HE2 HIS 109 HE2 HIS 109 6.674 -1.220 13.165 900 H LEU 110 H LEU 110 11.298 -1.879 8.240 901 HA LEU 110 HA LEU 110 12.395 -4.106 6.735 902 1HB LEU 110 HB2 LEU 110 11.720 -1.440 5.495 903 2HB LEU 110 HB3 LEU 110 12.778 -2.617 4.746 904 HG LEU 110 HG LEU 110 9.864 -3.083 5.411 905 1HD1 LEU 110 2HD1 LEU 110 10.147 -1.417 3.646 906 2HD1 LEU 110 1HD1 LEU 110 11.186 -2.531 2.758 907 3HD1 LEU 110 3HD1 LEU 110 9.486 -2.923 3.011 908 1HD2 LEU 110 2HD2 LEU 110 11.303 -5.108 5.413 909 2HD2 LEU 110 1HD2 LEU 110 10.070 -5.113 4.151 910 3HD2 LEU 110 3HD2 LEU 110 11.746 -4.744 3.745 911 H ASN 111 H ASN 111 14.309 -4.239 7.764 912 HA ASN 111 HA ASN 111 15.739 -1.884 8.612 913 1HB ASN 111 HB2 ASN 111 15.773 -4.111 9.833 914 2HB ASN 111 HB3 ASN 111 16.782 -4.718 8.525 915 1HD2 ASN 111 1HD2 ASN 111 18.480 -5.103 9.964 916 2HD2 ASN 111 2HD2 ASN 111 19.450 -3.817 10.587 917 H VAL 112 H VAL 112 15.498 -1.232 6.231 918 HA VAL 112 HA VAL 112 16.825 -2.259 4.097 919 HB VAL 112 HB VAL 112 16.937 0.695 4.668 920 1HG1 VAL 112 2HG1 VAL 112 17.959 -0.301 2.594 921 2HG1 VAL 112 1HG1 VAL 112 16.325 -0.759 2.109 922 3HG1 VAL 112 3HG1 VAL 112 16.738 0.942 2.318 923 1HG2 VAL 112 1HG2 VAL 112 14.529 -0.955 3.923 924 2HG2 VAL 112 3HG2 VAL 112 14.721 0.115 5.314 925 3HG2 VAL 112 2HG2 VAL 112 14.625 0.789 3.688 926 H LYS 113 H LYS 113 18.864 -2.807 3.717 927 HA LYS 113 HA LYS 113 20.982 -2.166 5.495 928 1HB LYS 113 HB2 LYS 113 21.001 -3.424 2.749 929 2HB LYS 113 HB3 LYS 113 22.411 -3.311 3.793 930 1HG LYS 113 HG2 LYS 113 19.865 -4.746 4.509 931 2HG LYS 113 HG3 LYS 113 21.311 -5.518 3.856 932 1HD LYS 113 HD2 LYS 113 22.597 -4.758 5.790 933 2HD LYS 113 HD3 LYS 113 21.159 -3.967 6.440 934 1HE LYS 113 HE2 LYS 113 20.034 -6.131 6.591 935 2HE LYS 113 HE3 LYS 113 21.464 -6.925 5.931 936 1HZ LYS 113 HZ3 LYS 113 22.720 -6.184 7.857 937 2HZ LYS 113 HZ2 LYS 113 21.349 -5.424 8.491 938 3HZ LYS 113 HZ1 LYS 113 21.385 -7.108 8.335 No H/Q in entry = 938 Start of MODEL 29 1 H1 GLY -2 HT2 GLY -2 -15.815 -18.904 21.493 2 H2 GLY -2 HT1 GLY -2 -15.654 -18.050 22.944 3 H3 GLY -2 HT3 GLY -2 -16.425 -17.332 21.620 4 1HA GLY -2 HA2 GLY -2 -13.557 -18.086 21.763 5 2HA GLY -2 HA3 GLY -2 -14.191 -16.452 21.894 6 H SER -1 H SER -1 -15.851 -18.495 19.716 7 HA SER -1 HA SER -1 -14.252 -17.624 17.429 8 1HB SER -1 HB2 SER -1 -16.592 -19.541 17.579 9 2HB SER -1 HB3 SER -1 -15.647 -19.196 16.131 10 HG SER -1 HG SER -1 -14.169 -20.514 16.816 11 H HIS 0 H HIS 0 -14.773 -15.845 16.361 12 HA HIS 0 HA HIS 0 -17.308 -14.540 16.806 13 1HB HIS 0 HB2 HIS 0 -14.991 -13.768 15.020 14 2HB HIS 0 HB3 HIS 0 -16.377 -12.749 15.393 15 HD1 HIS 0 HD1 HIS 0 -13.080 -13.762 16.654 16 HD2 HIS 0 HD2 HIS 0 -16.469 -11.867 18.136 17 HE1 HIS 0 HE1 HIS 0 -12.353 -12.662 18.796 18 HE2 HIS 0 HE2 HIS 0 -14.397 -11.449 19.628 19 H MET 1 H MET 1 -15.558 -15.368 13.809 20 HA MET 1 HA MET 1 -18.119 -16.191 12.628 21 1HB MET 1 HB2 MET 1 -16.045 -14.434 11.305 22 2HB MET 1 HB3 MET 1 -17.459 -15.103 10.503 23 1HG MET 1 HG2 MET 1 -17.484 -13.171 12.811 24 2HG MET 1 HG3 MET 1 -17.798 -12.777 11.122 25 1HE MET 1 HE1 MET 1 -19.771 -12.011 13.511 26 2HE MET 1 HE3 MET 1 -20.089 -11.616 11.822 27 3HE MET 1 HE2 MET 1 -21.329 -12.412 12.790 28 H ILE 2 H ILE 2 -17.158 -16.840 10.099 29 HA ILE 2 HA ILE 2 -15.790 -19.316 10.701 30 HB ILE 2 HB ILE 2 -17.672 -19.339 9.145 31 1HG1 ILE 2 2HG1 ILE 2 -16.570 -20.559 7.269 32 2HG1 ILE 2 3HG1 ILE 2 -15.011 -19.995 7.860 33 1HG2 ILE 2 3HG2 ILE 2 -15.934 -17.605 7.397 34 2HG2 ILE 2 2HG2 ILE 2 -17.466 -18.333 6.915 35 3HG2 ILE 2 1HG2 ILE 2 -17.429 -17.122 8.197 36 1HD1 ILE 2 1HD1 ILE 2 -16.929 -21.757 9.364 37 2HD1 ILE 2 3HD1 ILE 2 -15.453 -22.279 8.552 38 3HD1 ILE 2 2HD1 ILE 2 -15.359 -21.202 9.945 39 H ALA 3 H ALA 3 -15.053 -16.249 9.188 40 HA ALA 3 HA ALA 3 -12.673 -17.081 7.884 41 1HB ALA 3 HB3 ALA 3 -12.209 -14.719 7.580 42 2HB ALA 3 HB2 ALA 3 -13.900 -15.067 7.222 43 3HB ALA 3 HB1 ALA 3 -13.462 -14.301 8.748 44 HA PRO 4 HA PRO 4 -10.436 -15.136 11.770 45 1HB PRO 4 HB2 PRO 4 -12.488 -15.522 13.861 46 2HB PRO 4 HB3 PRO 4 -11.425 -14.142 13.571 47 1HG PRO 4 HG2 PRO 4 -14.038 -14.015 13.020 48 2HG PRO 4 HG3 PRO 4 -12.837 -13.219 11.986 49 1HD PRO 4 HD2 PRO 4 -14.295 -15.801 11.558 50 2HD PRO 4 HD3 PRO 4 -13.918 -14.514 10.395 51 H LEU 5 H LEU 5 -9.376 -16.273 13.529 52 HA LEU 5 HA LEU 5 -10.299 -18.931 14.195 53 1HB LEU 5 HB2 LEU 5 -8.386 -20.113 13.356 54 2HB LEU 5 HB3 LEU 5 -9.144 -19.251 12.034 55 HG LEU 5 HG LEU 5 -6.712 -18.217 13.489 56 1HD1 LEU 5 2HD1 LEU 5 -6.179 -20.364 12.471 57 2HD1 LEU 5 1HD1 LEU 5 -6.847 -19.813 10.934 58 3HD1 LEU 5 3HD1 LEU 5 -5.406 -19.043 11.596 59 1HD2 LEU 5 1HD2 LEU 5 -7.998 -17.494 10.860 60 2HD2 LEU 5 3HD2 LEU 5 -7.949 -16.505 12.320 61 3HD2 LEU 5 2HD2 LEU 5 -6.460 -16.859 11.443 62 H SER 6 H SER 6 -7.788 -16.470 14.404 63 HA SER 6 HA SER 6 -7.606 -16.838 17.253 64 1HB SER 6 HB2 SER 6 -5.190 -17.414 15.520 65 2HB SER 6 HB3 SER 6 -5.163 -17.251 17.276 66 HG SER 6 HG SER 6 -6.148 -19.144 17.492 67 H VAL 7 H VAL 7 -5.286 -15.578 14.872 68 HA VAL 7 HA VAL 7 -5.958 -12.843 15.678 69 HB VAL 7 HB VAL 7 -3.587 -12.246 15.917 70 1HG1 VAL 7 3HG1 VAL 7 -4.875 -12.796 17.909 71 2HG1 VAL 7 2HG1 VAL 7 -4.446 -14.497 17.731 72 3HG1 VAL 7 1HG1 VAL 7 -3.197 -13.306 18.090 73 1HG2 VAL 7 2HG2 VAL 7 -3.093 -15.211 15.661 74 2HG2 VAL 7 1HG2 VAL 7 -2.603 -13.966 14.512 75 3HG2 VAL 7 3HG2 VAL 7 -1.889 -14.009 16.124 76 H LYS 8 H LYS 8 -4.060 -11.454 14.314 77 HA LYS 8 HA LYS 8 -4.120 -12.430 11.557 78 1HB LYS 8 HB2 LYS 8 -4.869 -9.601 12.286 79 2HB LYS 8 HB3 LYS 8 -4.936 -10.348 10.701 80 1HG LYS 8 HG2 LYS 8 -6.629 -11.229 13.023 81 2HG LYS 8 HG3 LYS 8 -7.146 -10.049 11.816 82 1HD LYS 8 HD2 LYS 8 -6.872 -11.708 10.054 83 2HD LYS 8 HD3 LYS 8 -6.305 -12.889 11.236 84 1HE LYS 8 HE2 LYS 8 -9.035 -11.610 11.175 85 2HE LYS 8 HE3 LYS 8 -8.652 -13.257 10.673 86 1HZ LYS 8 HZ3 LYS 8 -7.962 -13.746 12.937 87 2HZ LYS 8 HZ2 LYS 8 -8.334 -12.168 13.419 88 3HZ LYS 8 HZ1 LYS 8 -9.566 -13.207 12.904 89 H ASP 9 H ASP 9 -2.077 -12.484 10.953 90 HA ASP 9 HA ASP 9 0.034 -11.218 12.249 91 1HB ASP 9 HB2 ASP 9 -0.032 -12.180 9.383 92 2HB ASP 9 HB3 ASP 9 1.395 -11.950 10.380 93 H ASN 10 H ASN 10 0.603 -9.149 12.275 94 HA ASN 10 HA ASN 10 0.054 -7.507 9.915 95 1HB ASN 10 HB2 ASN 10 -0.247 -5.630 11.701 96 2HB ASN 10 HB3 ASN 10 -1.584 -6.704 11.323 97 1HD2 ASN 10 1HD2 ASN 10 -1.033 -5.126 13.685 98 2HD2 ASN 10 2HD2 ASN 10 -0.998 -6.234 15.002 99 H ASP 11 H ASP 11 1.375 -6.300 12.870 100 HA ASP 11 HA ASP 11 3.501 -4.973 11.784 101 1HB ASP 11 HB2 ASP 11 4.454 -5.098 14.143 102 2HB ASP 11 HB3 ASP 11 2.852 -4.397 13.970 103 H LYS 12 H LYS 12 4.762 -6.056 10.377 104 HA LYS 12 HA LYS 12 6.195 -8.426 11.328 105 1HB LYS 12 HB2 LYS 12 5.056 -8.826 9.255 106 2HB LYS 12 HB3 LYS 12 5.698 -7.348 8.552 107 1HG LYS 12 HG2 LYS 12 7.048 -8.906 7.578 108 2HG LYS 12 HG3 LYS 12 7.997 -8.485 9.003 109 1HD LYS 12 HD2 LYS 12 6.066 -10.786 9.010 110 2HD LYS 12 HD3 LYS 12 7.727 -10.970 8.448 111 1HE LYS 12 HE2 LYS 12 8.520 -10.132 10.633 112 2HE LYS 12 HE3 LYS 12 6.847 -10.064 11.185 113 1HZ LYS 12 HZ2 LYS 12 6.676 -12.451 10.836 114 2HZ LYS 12 HZ1 LYS 12 8.286 -12.513 10.321 115 3HZ LYS 12 HZ3 LYS 12 7.925 -12.089 11.919 116 H TRP 13 H TRP 13 7.796 -7.507 12.532 117 HA TRP 13 HA TRP 13 9.422 -5.357 11.513 118 1HB TRP 13 HB2 TRP 13 10.019 -6.942 13.994 119 2HB TRP 13 HB3 TRP 13 10.303 -5.237 13.671 120 HD1 TRP 13 HD1 TRP 13 7.346 -7.633 14.358 121 HE1 TRP 13 HE1 TRP 13 5.443 -6.287 15.442 122 HE3 TRP 13 HE3 TRP 13 9.435 -2.965 14.179 123 HZ2 TRP 13 HZ2 TRP 13 4.878 -3.608 16.121 124 HZ3 TRP 13 HZ3 TRP 13 8.151 -1.069 15.079 125 HH2 TRP 13 HH2 TRP 13 5.926 -1.385 16.035 126 H VAL 14 H VAL 14 10.828 -5.867 9.917 127 HA VAL 14 HA VAL 14 12.762 -8.001 10.474 128 HB VAL 14 HB VAL 14 12.531 -8.977 8.217 129 1HG1 VAL 14 2HG1 VAL 14 10.033 -9.099 9.901 130 2HG1 VAL 14 1HG1 VAL 14 10.498 -10.271 8.667 131 3HG1 VAL 14 3HG1 VAL 14 11.485 -10.076 10.116 132 1HG2 VAL 14 3HG2 VAL 14 10.072 -7.242 8.067 133 2HG2 VAL 14 2HG2 VAL 14 11.507 -7.136 7.048 134 3HG2 VAL 14 1HG2 VAL 14 10.455 -8.548 6.945 135 H ASP 15 H ASP 15 14.156 -8.174 8.281 136 HA ASP 15 HA ASP 15 15.171 -5.452 7.822 137 1HB ASP 15 HB2 ASP 15 16.432 -8.137 8.096 138 2HB ASP 15 HB3 ASP 15 17.222 -6.965 7.042 139 H THR 16 H THR 16 16.563 -5.521 5.611 140 HA THR 16 HA THR 16 15.629 -7.095 3.476 141 HB THR 16 HB THR 16 13.559 -5.668 4.064 142 HG1 THR 16 HG1 THR 16 13.514 -5.196 1.550 143 1HG2 THR 16 3HG2 THR 16 14.773 -3.526 4.245 144 2HG2 THR 16 2HG2 THR 16 15.142 -3.615 2.523 145 3HG2 THR 16 1HG2 THR 16 13.470 -3.466 3.058 146 H HIS 17 H HIS 17 15.894 -5.676 1.293 147 HA HIS 17 HA HIS 17 18.463 -4.256 1.551 148 1HB HIS 17 HB2 HIS 17 17.508 -5.910 -0.798 149 2HB HIS 17 HB3 HIS 17 19.067 -5.102 -0.656 150 HD1 HIS 17 HD1 HIS 17 20.917 -6.372 0.455 151 HD2 HIS 17 HD2 HIS 17 17.201 -8.142 1.029 152 HE1 HIS 17 HE1 HIS 17 21.389 -8.588 1.546 153 HE2 HIS 17 HE2 HIS 17 19.121 -9.601 1.964 154 H VAL 18 H VAL 18 18.632 -3.257 -1.043 155 HA VAL 18 HA VAL 18 16.653 -1.139 -0.873 156 HB VAL 18 HB VAL 18 18.925 -1.411 -2.844 157 1HG1 VAL 18 1HG1 VAL 18 17.268 0.966 -2.002 158 2HG1 VAL 18 3HG1 VAL 18 18.658 1.021 -3.085 159 3HG1 VAL 18 2HG1 VAL 18 17.204 0.145 -3.562 160 1HG2 VAL 18 1HG2 VAL 18 18.848 0.020 -0.190 161 2HG2 VAL 18 3HG2 VAL 18 19.788 -1.423 -0.570 162 3HG2 VAL 18 2HG2 VAL 18 20.161 0.107 -1.364 163 H GLY 19 H GLY 19 15.037 -0.743 -2.227 164 1HA GLY 19 HA3 GLY 19 14.800 -1.640 -4.885 165 2HA GLY 19 HA2 GLY 19 13.503 -1.011 -3.893 166 H LYS 20 H LYS 20 14.416 -3.414 -2.018 167 HA LYS 20 HA LYS 20 13.694 -5.771 -3.335 168 1HB LYS 20 HB2 LYS 20 14.612 -5.206 -0.863 169 2HB LYS 20 HB3 LYS 20 12.930 -5.511 -0.484 170 1HG LYS 20 HG2 LYS 20 13.905 -7.581 -0.210 171 2HG LYS 20 HG3 LYS 20 13.244 -7.673 -1.848 172 1HD LYS 20 HD2 LYS 20 15.340 -7.364 -2.832 173 2HD LYS 20 HD3 LYS 20 16.030 -6.734 -1.338 174 1HE LYS 20 HE2 LYS 20 15.855 -8.957 -0.323 175 2HE LYS 20 HE3 LYS 20 15.153 -9.582 -1.815 176 1HZ LYS 20 HZ1 LYS 20 17.883 -8.447 -1.533 177 2HZ LYS 20 HZ3 LYS 20 17.506 -10.092 -1.666 178 3HZ LYS 20 HZ2 LYS 20 17.210 -9.048 -2.964 179 H THR 21 H THR 21 11.918 -5.192 -4.659 180 HA THR 21 HA THR 21 9.524 -4.063 -3.829 181 HB THR 21 HB THR 21 9.626 -6.197 -5.947 182 HG1 THR 21 HG1 THR 21 11.348 -4.863 -6.443 183 1HG2 THR 21 2HG2 THR 21 7.439 -5.230 -5.389 184 2HG2 THR 21 1HG2 THR 21 8.073 -3.615 -5.699 185 3HG2 THR 21 3HG2 THR 21 7.943 -4.780 -7.017 186 H THR 22 H THR 22 8.680 -4.815 -1.949 187 HA THR 22 HA THR 22 8.129 -7.670 -1.688 188 HB THR 22 HB THR 22 7.822 -5.401 0.291 189 HG1 THR 22 HG1 THR 22 9.933 -6.733 -0.426 190 1HG2 THR 22 3HG2 THR 22 7.357 -8.359 0.689 191 2HG2 THR 22 2HG2 THR 22 7.344 -7.136 1.959 192 3HG2 THR 22 1HG2 THR 22 6.115 -7.107 0.694 193 H GLU 23 H GLU 23 6.450 -8.138 -2.953 194 HA GLU 23 HA GLU 23 4.130 -6.505 -3.195 195 1HB GLU 23 HB2 GLU 23 5.002 -8.019 -4.968 196 2HB GLU 23 HB3 GLU 23 4.554 -9.394 -3.968 197 1HG GLU 23 HG2 GLU 23 2.261 -8.940 -4.185 198 2HG GLU 23 HG3 GLU 23 2.572 -7.327 -4.826 199 H ILE 24 H ILE 24 2.271 -6.590 -2.090 200 HA ILE 24 HA ILE 24 1.868 -8.819 -0.220 201 HB ILE 24 HB ILE 24 1.345 -5.941 0.456 202 1HG1 ILE 24 2HG1 ILE 24 3.615 -7.714 1.368 203 2HG1 ILE 24 3HG1 ILE 24 3.765 -6.381 0.229 204 1HG2 ILE 24 3HG2 ILE 24 -0.090 -7.571 1.590 205 2HG2 ILE 24 2HG2 ILE 24 1.344 -8.416 2.176 206 3HG2 ILE 24 1HG2 ILE 24 1.005 -6.772 2.718 207 1HD1 ILE 24 2HD1 ILE 24 2.880 -4.900 2.087 208 2HD1 ILE 24 1HD1 ILE 24 3.180 -6.266 3.161 209 3HD1 ILE 24 3HD1 ILE 24 4.514 -5.536 2.269 210 H HIS 25 H HIS 25 0.191 -9.774 -1.239 211 HA HIS 25 HA HIS 25 -2.081 -8.220 -2.136 212 1HB HIS 25 HB2 HIS 25 -2.099 -11.205 -1.956 213 2HB HIS 25 HB3 HIS 25 -2.859 -10.160 -3.143 214 HD1 HIS 25 HD1 HIS 25 -0.215 -12.478 -2.897 215 HD2 HIS 25 HD2 HIS 25 -0.676 -8.801 -4.774 216 HE1 HIS 25 HE1 HIS 25 1.541 -12.417 -4.694 217 HE2 HIS 25 HE2 HIS 25 1.129 -10.256 -5.919 218 H LEU 26 H LEU 26 -3.443 -7.518 -0.628 219 HA LEU 26 HA LEU 26 -3.952 -9.215 1.723 220 1HB LEU 26 HB2 LEU 26 -4.460 -6.266 1.385 221 2HB LEU 26 HB3 LEU 26 -4.676 -7.185 2.858 222 HG LEU 26 HG LEU 26 -1.999 -6.840 1.510 223 1HD1 LEU 26 1HD1 LEU 26 -3.197 -5.245 3.772 224 2HD1 LEU 26 3HD1 LEU 26 -1.532 -5.134 3.200 225 3HD1 LEU 26 2HD1 LEU 26 -2.861 -4.652 2.145 226 1HD2 LEU 26 3HD2 LEU 26 -2.286 -8.766 3.054 227 2HD2 LEU 26 2HD2 LEU 26 -1.091 -7.590 3.602 228 3HD2 LEU 26 1HD2 LEU 26 -2.696 -7.626 4.336 229 H LYS 27 H LYS 27 -6.094 -9.551 2.400 230 HA LYS 27 HA LYS 27 -8.035 -9.249 0.226 231 1HB LYS 27 HB2 LYS 27 -8.431 -10.920 2.692 232 2HB LYS 27 HB3 LYS 27 -9.240 -11.058 1.139 233 1HG LYS 27 HG2 LYS 27 -7.074 -11.741 0.129 234 2HG LYS 27 HG3 LYS 27 -6.379 -11.756 1.752 235 1HD LYS 27 HD2 LYS 27 -8.029 -13.433 2.441 236 2HD LYS 27 HD3 LYS 27 -8.706 -13.429 0.812 237 1HE LYS 27 HE2 LYS 27 -6.566 -14.199 -0.082 238 2HE LYS 27 HE3 LYS 27 -5.884 -14.197 1.543 239 1HZ LYS 27 HZ1 LYS 27 -8.155 -15.878 0.631 240 2HZ LYS 27 HZ3 LYS 27 -6.567 -16.413 0.870 241 3HZ LYS 27 HZ2 LYS 27 -7.489 -15.882 2.186 242 H GLY 28 H GLY 28 -10.274 -8.761 0.812 243 1HA GLY 28 HA3 GLY 28 -10.426 -6.331 2.233 244 2HA GLY 28 HA2 GLY 28 -11.046 -7.624 3.244 245 H ASN 29 H ASN 29 -12.082 -5.225 1.438 246 HA ASN 29 HA ASN 29 -13.884 -6.336 -0.409 247 1HB ASN 29 HB2 ASN 29 -15.996 -5.877 0.979 248 2HB ASN 29 HB3 ASN 29 -15.105 -7.356 1.324 249 1HD2 ASN 29 1HD2 ASN 29 -16.019 -4.224 2.478 250 2HD2 ASN 29 2HD2 ASN 29 -15.474 -4.436 4.104 251 HA PRO 30 HA PRO 30 -13.293 -1.782 -0.755 252 1HB PRO 30 HB2 PRO 30 -13.630 -1.779 -3.474 253 2HB PRO 30 HB3 PRO 30 -12.077 -2.042 -2.676 254 1HG PRO 30 HG2 PRO 30 -14.005 -4.048 -3.777 255 2HG PRO 30 HG3 PRO 30 -12.238 -4.002 -3.919 256 1HD PRO 30 HD2 PRO 30 -13.455 -5.617 -2.164 257 2HD PRO 30 HD3 PRO 30 -11.920 -4.817 -1.768 258 H THR 31 H THR 31 -14.722 -0.115 -1.599 259 HA THR 31 HA THR 31 -16.776 0.865 -1.526 260 HB THR 31 HB THR 31 -18.153 0.348 -3.363 261 HG1 THR 31 HG1 THR 31 -18.511 -1.847 -3.090 262 1HG2 THR 31 3HG2 THR 31 -15.343 -0.477 -4.083 263 2HG2 THR 31 2HG2 THR 31 -16.578 0.061 -5.222 264 3HG2 THR 31 1HG2 THR 31 -15.952 1.177 -4.008 265 H THR 32 H THR 32 -16.368 -1.313 0.442 266 HA THR 32 HA THR 32 -19.205 -1.851 0.977 267 HB THR 32 HB THR 32 -16.955 -3.850 1.221 268 HG1 THR 32 HG1 THR 32 -19.061 -3.439 -0.542 269 1HG2 THR 32 2HG2 THR 32 -19.819 -4.061 2.154 270 2HG2 THR 32 1HG2 THR 32 -18.665 -5.393 2.103 271 3HG2 THR 32 3HG2 THR 32 -18.384 -4.024 3.178 272 H GLY 33 H GLY 33 -16.150 -2.644 2.633 273 1HA GLY 33 HA3 GLY 33 -16.079 -2.612 5.054 274 2HA GLY 33 HA2 GLY 33 -17.226 -1.283 5.017 275 H TYR 34 H TYR 34 -14.025 -2.108 5.380 276 HA TYR 34 HA TYR 34 -13.236 0.702 5.201 277 1HB TYR 34 HB2 TYR 34 -11.862 -1.656 6.506 278 2HB TYR 34 HB3 TYR 34 -11.261 -0.006 6.532 279 HD1 TYR 34 HD1 TYR 34 -14.614 -1.559 7.188 280 HD2 TYR 34 HD2 TYR 34 -11.467 0.924 8.627 281 HE1 TYR 34 HE1 TYR 34 -15.895 -1.131 9.241 282 HE2 TYR 34 HE2 TYR 34 -12.742 1.356 10.682 283 HH TYR 34 HH TYR 34 -15.482 -0.444 11.561 284 H MET 35 H MET 35 -10.508 0.445 4.946 285 HA MET 35 HA MET 35 -10.045 -0.892 2.392 286 1HB MET 35 HB2 MET 35 -10.313 1.219 1.518 287 2HB MET 35 HB3 MET 35 -9.874 2.012 3.026 288 1HG MET 35 HG2 MET 35 -7.503 1.286 2.591 289 2HG MET 35 HG3 MET 35 -8.044 0.783 1.004 290 1HE MET 35 HE3 MET 35 -10.080 2.866 0.059 291 2HE MET 35 HE2 MET 35 -9.089 4.113 -0.698 292 3HE MET 35 HE1 MET 35 -8.714 2.410 -0.958 293 H TRP 36 H TRP 36 -7.824 -1.307 1.975 294 HA TRP 36 HA TRP 36 -6.148 -1.258 4.390 295 1HB TRP 36 HB2 TRP 36 -6.679 -3.314 2.368 296 2HB TRP 36 HB3 TRP 36 -4.980 -3.080 2.730 297 HD1 TRP 36 HD1 TRP 36 -7.813 -5.063 3.849 298 HE1 TRP 36 HE1 TRP 36 -7.430 -5.999 6.219 299 HE3 TRP 36 HE3 TRP 36 -3.849 -2.160 5.229 300 HZ2 TRP 36 HZ2 TRP 36 -5.674 -5.559 8.381 301 HZ3 TRP 36 HZ3 TRP 36 -2.875 -2.480 7.459 302 HH2 TRP 36 HH2 TRP 36 -3.773 -4.142 9.003 303 H THR 37 H THR 37 -5.017 0.610 4.138 304 HA THR 37 HA THR 37 -3.202 0.712 1.838 305 HB THR 37 HB THR 37 -5.160 2.107 1.243 306 HG1 THR 37 HG1 THR 37 -3.897 3.735 0.483 307 1HG2 THR 37 1HG2 THR 37 -5.783 2.796 3.518 308 2HG2 THR 37 3HG2 THR 37 -4.319 3.773 3.621 309 3HG2 THR 37 2HG2 THR 37 -5.574 4.185 2.452 310 H ARG 38 H ARG 38 -2.003 3.210 2.401 311 HA ARG 38 HA ARG 38 -0.570 2.516 4.834 312 1HB ARG 38 HB2 ARG 38 -0.015 4.238 2.471 313 2HB ARG 38 HB3 ARG 38 0.748 4.677 3.987 314 1HG ARG 38 HG2 ARG 38 1.892 2.644 4.128 315 2HG ARG 38 HG3 ARG 38 0.939 1.938 2.823 316 1HD ARG 38 HD2 ARG 38 3.304 2.749 2.307 317 2HD ARG 38 HD3 ARG 38 2.035 3.168 1.190 318 HE ARG 38 HE ARG 38 2.064 5.400 2.213 319 1HH1 ARG 38 1HH1 ARG 38 4.776 3.290 2.791 320 2HH1 ARG 38 2HH1 ARG 38 5.898 4.584 3.048 321 1HH2 ARG 38 1HH2 ARG 38 3.551 7.116 2.533 322 2HH2 ARG 38 2HH2 ARG 38 5.202 6.754 2.906 323 H VAL 39 H VAL 39 -0.075 4.117 6.469 324 HA VAL 39 HA VAL 39 -2.414 5.513 7.316 325 HB VAL 39 HB VAL 39 0.359 5.699 8.492 326 1HG1 VAL 39 3HG1 VAL 39 -2.361 6.215 9.684 327 2HG1 VAL 39 2HG1 VAL 39 -0.832 6.265 10.560 328 3HG1 VAL 39 1HG1 VAL 39 -1.151 7.431 9.277 329 1HG2 VAL 39 1HG2 VAL 39 -0.557 3.355 8.241 330 2HG2 VAL 39 3HG2 VAL 39 -0.128 3.853 9.877 331 3HG2 VAL 39 2HG2 VAL 39 -1.818 3.829 9.379 332 H GLY 40 H GLY 40 -2.965 7.593 7.102 333 1HA GLY 40 HA3 GLY 40 -1.001 9.664 6.713 334 2HA GLY 40 HA2 GLY 40 -2.742 9.877 6.792 335 H PHE 41 H PHE 41 -2.719 7.606 4.630 336 HA PHE 41 HA PHE 41 -2.466 9.482 2.387 337 1HB PHE 41 HB2 PHE 41 -1.503 6.618 2.330 338 2HB PHE 41 HB3 PHE 41 -1.403 7.784 1.014 339 HD1 PHE 41 HD1 PHE 41 -0.065 9.946 1.506 340 HD2 PHE 41 HD2 PHE 41 0.246 6.377 3.790 341 HE1 PHE 41 HE1 PHE 41 2.120 10.694 2.361 342 HE2 PHE 41 HE2 PHE 41 2.434 7.111 4.653 343 HZ PHE 41 HZ PHE 41 3.372 9.275 3.939 344 H VAL 42 H VAL 42 -4.325 7.393 4.113 345 HA VAL 42 HA VAL 42 -5.815 5.906 2.358 346 HB VAL 42 HB VAL 42 -7.007 7.477 4.641 347 1HG1 VAL 42 1HG1 VAL 42 -8.556 6.288 3.089 348 2HG1 VAL 42 3HG1 VAL 42 -7.768 4.778 3.544 349 3HG1 VAL 42 2HG1 VAL 42 -8.628 5.726 4.757 350 1HG2 VAL 42 3HG2 VAL 42 -4.856 6.180 5.139 351 2HG2 VAL 42 2HG2 VAL 42 -6.260 5.872 6.157 352 3HG2 VAL 42 1HG2 VAL 42 -5.829 4.734 4.883 353 H GLY 43 H GLY 43 -7.042 6.349 0.650 354 1HA GLY 43 HA3 GLY 43 -8.547 8.850 0.543 355 2HA GLY 43 HA2 GLY 43 -8.750 7.469 -0.524 356 H LYS 44 H LYS 44 -5.655 8.935 0.225 357 HA LYS 44 HA LYS 44 -5.490 10.671 -1.980 358 1HB LYS 44 HB2 LYS 44 -3.283 9.299 -0.437 359 2HB LYS 44 HB3 LYS 44 -3.065 10.660 -1.520 360 1HG LYS 44 HG2 LYS 44 -4.594 11.977 -0.043 361 2HG LYS 44 HG3 LYS 44 -4.555 10.623 1.090 362 1HD LYS 44 HD2 LYS 44 -2.118 10.842 1.256 363 2HD LYS 44 HD3 LYS 44 -2.169 12.207 0.137 364 1HE LYS 44 HE2 LYS 44 -3.564 13.450 1.717 365 2HE LYS 44 HE3 LYS 44 -3.516 12.085 2.834 366 1HZ LYS 44 HZ1 LYS 44 -1.119 12.356 3.001 367 2HZ LYS 44 HZ3 LYS 44 -1.168 13.667 1.933 368 3HZ LYS 44 HZ2 LYS 44 -1.913 13.780 3.447 369 H ASP 45 H ASP 45 -3.744 10.388 -3.700 370 HA ASP 45 HA ASP 45 -4.369 8.056 -5.227 371 1HB ASP 45 HB2 ASP 45 -2.568 10.430 -5.671 372 2HB ASP 45 HB3 ASP 45 -2.672 9.106 -6.820 373 H VAL 46 H VAL 46 -1.267 9.427 -4.162 374 HA VAL 46 HA VAL 46 -0.127 6.715 -4.172 375 HB VAL 46 HB VAL 46 0.962 8.430 -5.619 376 1HG1 VAL 46 2HG1 VAL 46 0.607 10.385 -4.226 377 2HG1 VAL 46 1HG1 VAL 46 1.668 9.713 -2.986 378 3HG1 VAL 46 3HG1 VAL 46 2.326 10.167 -4.558 379 1HG2 VAL 46 1HG2 VAL 46 2.639 7.351 -3.356 380 2HG2 VAL 46 3HG2 VAL 46 2.209 6.495 -4.836 381 3HG2 VAL 46 2HG2 VAL 46 3.254 7.913 -4.910 382 H LEU 47 H LEU 47 0.891 5.901 -2.402 383 HA LEU 47 HA LEU 47 0.352 7.266 0.122 384 1HB LEU 47 HB2 LEU 47 1.495 4.526 -0.049 385 2HB LEU 47 HB3 LEU 47 0.431 5.206 1.160 386 HG LEU 47 HG LEU 47 -0.401 4.470 -1.646 387 1HD1 LEU 47 2HD1 LEU 47 -0.843 3.037 0.969 388 2HD1 LEU 47 1HD1 LEU 47 -1.586 2.605 -0.571 389 3HD1 LEU 47 3HD1 LEU 47 0.163 2.487 -0.370 390 1HD2 LEU 47 1HD2 LEU 47 -2.016 5.336 0.747 391 2HD2 LEU 47 3HD2 LEU 47 -1.738 6.273 -0.722 392 3HD2 LEU 47 2HD2 LEU 47 -2.676 4.782 -0.792 393 H SER 48 H SER 48 2.972 5.553 -1.512 394 HA SER 48 HA SER 48 5.060 5.972 0.201 395 1HB SER 48 HB2 SER 48 6.472 5.484 -1.612 396 2HB SER 48 HB3 SER 48 4.954 4.692 -2.022 397 HG SER 48 HG SER 48 6.248 6.385 -3.497 398 H ASP 49 H ASP 49 7.062 7.375 -0.513 399 HA ASP 49 HA ASP 49 6.370 10.050 -1.373 400 1HB ASP 49 HB2 ASP 49 7.227 9.444 1.452 401 2HB ASP 49 HB3 ASP 49 7.451 11.032 0.723 402 H GLU 50 H GLU 50 9.031 9.019 0.704 403 HA GLU 50 HA GLU 50 10.868 9.172 -1.575 404 1HB GLU 50 HB2 GLU 50 12.393 10.565 -0.311 405 2HB GLU 50 HB3 GLU 50 10.816 11.342 -0.401 406 1HG GLU 50 HG2 GLU 50 10.303 10.620 1.855 407 2HG GLU 50 HG3 GLU 50 11.858 9.794 1.959 408 H ILE 51 H ILE 51 10.190 8.069 1.676 409 HA ILE 51 HA ILE 51 12.610 6.653 2.095 410 HB ILE 51 HB ILE 51 9.912 6.168 3.359 411 1HG1 ILE 51 2HG1 ILE 51 10.731 8.526 3.517 412 2HG1 ILE 51 3HG1 ILE 51 10.555 7.719 5.068 413 1HG2 ILE 51 2HG2 ILE 51 12.701 5.432 4.225 414 2HG2 ILE 51 1HG2 ILE 51 11.271 5.302 5.249 415 3HG2 ILE 51 3HG2 ILE 51 11.395 4.335 3.781 416 1HD1 ILE 51 1HD1 ILE 51 13.142 8.109 3.582 417 2HD1 ILE 51 3HD1 ILE 51 12.589 9.062 4.959 418 3HD1 ILE 51 2HD1 ILE 51 12.955 7.348 5.163 419 H LEU 52 H LEU 52 9.474 5.048 2.103 420 HA LEU 52 HA LEU 52 10.659 2.826 0.617 421 1HB LEU 52 HB2 LEU 52 8.475 3.128 2.569 422 2HB LEU 52 HB3 LEU 52 8.168 1.975 1.284 423 HG LEU 52 HG LEU 52 10.610 1.903 3.044 424 1HD1 LEU 52 3HD1 LEU 52 8.012 0.398 3.285 425 2HD1 LEU 52 2HD1 LEU 52 9.487 0.010 4.172 426 3HD1 LEU 52 1HD1 LEU 52 8.679 1.555 4.436 427 1HD2 LEU 52 1HD2 LEU 52 10.808 0.823 0.834 428 2HD2 LEU 52 3HD2 LEU 52 10.898 -0.329 2.167 429 3HD2 LEU 52 2HD2 LEU 52 9.413 -0.182 1.227 430 H GLU 53 H GLU 53 10.368 2.732 -1.516 431 HA GLU 53 HA GLU 53 8.430 4.271 -2.886 432 1HB GLU 53 HB2 GLU 53 10.657 3.352 -3.795 433 2HB GLU 53 HB3 GLU 53 9.787 1.846 -4.029 434 1HG GLU 53 HG2 GLU 53 8.286 2.828 -5.537 435 2HG GLU 53 HG3 GLU 53 8.830 4.451 -5.128 436 H VAL 54 H VAL 54 6.503 3.720 -1.895 437 HA VAL 54 HA VAL 54 5.560 0.980 -2.009 438 HB VAL 54 HB VAL 54 4.106 3.408 -0.973 439 1HG1 VAL 54 2HG1 VAL 54 3.613 0.451 -0.661 440 2HG1 VAL 54 1HG1 VAL 54 2.781 1.704 0.259 441 3HG1 VAL 54 3HG1 VAL 54 2.588 1.623 -1.493 442 1HG2 VAL 54 1HG2 VAL 54 5.961 1.472 0.377 443 2HG2 VAL 54 3HG2 VAL 54 6.017 3.233 0.379 444 3HG2 VAL 54 2HG2 VAL 54 4.754 2.390 1.274 445 H VAL 55 H VAL 55 5.244 0.607 -4.206 446 HA VAL 55 HA VAL 55 3.510 2.318 -5.733 447 HB VAL 55 HB VAL 55 4.353 -0.491 -6.415 448 1HG1 VAL 55 3HG1 VAL 55 2.452 0.580 -7.660 449 2HG1 VAL 55 2HG1 VAL 55 3.608 1.775 -8.247 450 3HG1 VAL 55 1HG1 VAL 55 3.816 0.072 -8.661 451 1HG2 VAL 55 3HG2 VAL 55 5.758 2.100 -7.049 452 2HG2 VAL 55 2HG2 VAL 55 6.345 0.829 -5.978 453 3HG2 VAL 55 1HG2 VAL 55 6.186 0.521 -7.707 454 H CYS 56 H CYS 56 1.666 2.358 -4.490 455 HA CYS 56 HA CYS 56 0.294 0.043 -3.596 456 1HB CYS 56 HB2 CYS 56 -0.084 2.097 -2.435 457 2HB CYS 56 HB3 CYS 56 -0.578 2.911 -3.911 458 HG CYS 56 HG CYS 56 -3.056 2.629 -3.306 459 H LYS 57 H LYS 57 -1.251 -1.149 -4.512 460 HA LYS 57 HA LYS 57 -2.384 -0.297 -7.068 461 1HB LYS 57 HB2 LYS 57 -1.073 -2.942 -6.507 462 2HB LYS 57 HB3 LYS 57 -2.041 -2.604 -7.927 463 1HG LYS 57 HG2 LYS 57 -0.455 -0.872 -8.603 464 2HG LYS 57 HG3 LYS 57 0.515 -1.207 -7.168 465 1HD LYS 57 HD2 LYS 57 1.606 -2.407 -8.834 466 2HD LYS 57 HD3 LYS 57 0.595 -3.627 -8.059 467 1HE LYS 57 HE2 LYS 57 -0.158 -2.118 -10.557 468 2HE LYS 57 HE3 LYS 57 0.565 -3.726 -10.542 469 1HZ LYS 57 HZ2 LYS 57 -1.366 -4.464 -9.202 470 2HZ LYS 57 HZ1 LYS 57 -2.075 -2.947 -9.437 471 3HZ LYS 57 HZ3 LYS 57 -1.778 -3.957 -10.762 472 H TYR 58 H TYR 58 -3.816 -0.037 -4.893 473 HA TYR 58 HA TYR 58 -5.254 -2.161 -3.858 474 1HB TYR 58 HB2 TYR 58 -5.422 0.221 -3.088 475 2HB TYR 58 HB3 TYR 58 -6.366 0.583 -4.527 476 HD1 TYR 58 HD1 TYR 58 -8.110 -1.945 -4.499 477 HD2 TYR 58 HD2 TYR 58 -6.967 0.784 -1.422 478 HE1 TYR 58 HE1 TYR 58 -10.170 -2.489 -3.285 479 HE2 TYR 58 HE2 TYR 58 -9.046 0.258 -0.212 480 HH TYR 58 HH TYR 58 -11.026 -2.383 -0.984 481 H THR 59 H THR 59 -6.223 -3.722 -4.971 482 HA THR 59 HA THR 59 -7.430 -3.108 -7.569 483 HB THR 59 HB THR 59 -7.595 -5.856 -7.185 484 HG1 THR 59 HG1 THR 59 -4.975 -5.677 -6.706 485 1HG2 THR 59 3HG2 THR 59 -5.425 -4.253 -8.549 486 2HG2 THR 59 2HG2 THR 59 -5.790 -5.952 -8.850 487 3HG2 THR 59 1HG2 THR 59 -6.974 -4.710 -9.259 488 HA PRO 60 HA PRO 60 -11.330 -3.762 -5.391 489 1HB PRO 60 HB2 PRO 60 -12.572 -1.616 -6.280 490 2HB PRO 60 HB3 PRO 60 -11.200 -1.425 -5.182 491 1HG PRO 60 HG2 PRO 60 -11.359 -0.988 -8.128 492 2HG PRO 60 HG3 PRO 60 -10.372 -0.144 -6.920 493 1HD PRO 60 HD2 PRO 60 -9.594 -2.315 -8.612 494 2HD PRO 60 HD3 PRO 60 -8.634 -1.518 -7.350 495 H THR 61 H THR 61 -10.437 -4.242 -8.503 496 HA THR 61 HA THR 61 -13.181 -4.884 -9.365 497 HB THR 61 HB THR 61 -11.088 -4.432 -11.427 498 HG1 THR 61 HG1 THR 61 -12.459 -2.147 -10.686 499 1HG2 THR 61 2HG2 THR 61 -14.030 -3.791 -11.220 500 2HG2 THR 61 1HG2 THR 61 -13.021 -3.450 -12.627 501 3HG2 THR 61 3HG2 THR 61 -13.298 -5.117 -12.125 502 HA PRO 62 HA PRO 62 -11.571 -9.017 -9.775 503 1HB PRO 62 HB2 PRO 62 -13.695 -10.186 -10.920 504 2HB PRO 62 HB3 PRO 62 -13.731 -9.639 -9.240 505 1HG PRO 62 HG2 PRO 62 -14.855 -8.335 -11.686 506 2HG PRO 62 HG3 PRO 62 -15.560 -8.476 -10.066 507 1HD PRO 62 HD2 PRO 62 -14.285 -6.229 -11.008 508 2HD PRO 62 HD3 PRO 62 -14.444 -6.643 -9.291 509 H SER 63 H SER 63 -11.303 -10.716 -11.495 510 HA SER 63 HA SER 63 -11.522 -9.980 -14.243 511 1HB SER 63 HB2 SER 63 -9.590 -8.579 -13.632 512 2HB SER 63 HB3 SER 63 -8.744 -10.007 -13.038 513 HG SER 63 HG SER 63 -8.980 -9.086 -15.568 514 H SER 64 H SER 64 -10.341 -11.616 -15.658 515 HA SER 64 HA SER 64 -10.401 -14.246 -14.328 516 1HB SER 64 HB2 SER 64 -11.114 -15.181 -16.501 517 2HB SER 64 HB3 SER 64 -12.251 -13.969 -15.910 518 HG SER 64 HG SER 64 -11.768 -12.716 -17.540 519 H THR 65 H THR 65 -8.239 -12.126 -15.222 520 HA THR 65 HA THR 65 -6.568 -13.385 -17.096 521 HB THR 65 HB THR 65 -4.758 -11.958 -16.173 522 HG1 THR 65 HG1 THR 65 -5.651 -12.080 -13.951 523 1HG2 THR 65 3HG2 THR 65 -7.408 -10.562 -16.569 524 2HG2 THR 65 2HG2 THR 65 -5.822 -9.796 -16.673 525 3HG2 THR 65 1HG2 THR 65 -6.280 -11.038 -17.839 526 HA PRO 66 HA PRO 66 -4.635 -16.607 -14.765 527 1HB PRO 66 HB2 PRO 66 -2.253 -16.833 -15.968 528 2HB PRO 66 HB3 PRO 66 -3.752 -17.216 -16.829 529 1HG PRO 66 HG2 PRO 66 -2.153 -14.669 -16.864 530 2HG PRO 66 HG3 PRO 66 -2.769 -15.605 -18.243 531 1HD PRO 66 HD2 PRO 66 -4.052 -13.427 -17.290 532 2HD PRO 66 HD3 PRO 66 -4.931 -14.820 -17.956 533 H MET 67 H MET 67 -4.036 -13.584 -14.163 534 HA MET 67 HA MET 67 -1.721 -14.085 -12.416 535 1HB MET 67 HB2 MET 67 -2.644 -11.461 -13.603 536 2HB MET 67 HB3 MET 67 -1.284 -11.657 -12.504 537 1HG MET 67 HG2 MET 67 -0.150 -13.054 -14.153 538 2HG MET 67 HG3 MET 67 -1.514 -12.861 -15.254 539 1HE MET 67 HE3 MET 67 1.508 -12.233 -16.060 540 2HE MET 67 HE2 MET 67 0.147 -12.035 -17.165 541 3HE MET 67 HE1 MET 67 1.304 -10.722 -16.948 542 H VAL 68 H VAL 68 -3.188 -14.937 -10.839 543 HA VAL 68 HA VAL 68 -5.383 -13.665 -9.739 544 HB VAL 68 HB VAL 68 -3.368 -15.306 -8.197 545 1HG1 VAL 68 2HG1 VAL 68 -4.978 -14.144 -6.783 546 2HG1 VAL 68 1HG1 VAL 68 -6.307 -14.808 -7.733 547 3HG1 VAL 68 3HG1 VAL 68 -5.280 -15.881 -6.781 548 1HG2 VAL 68 2HG2 VAL 68 -5.746 -16.207 -9.820 549 2HG2 VAL 68 1HG2 VAL 68 -4.048 -16.493 -10.204 550 3HG2 VAL 68 3HG2 VAL 68 -4.768 -17.239 -8.777 551 H GLY 69 H GLY 69 -5.651 -11.847 -8.639 552 1HA GLY 69 HA3 GLY 69 -3.284 -10.452 -7.616 553 2HA GLY 69 HA2 GLY 69 -4.596 -10.783 -6.495 554 H VAL 70 H VAL 70 -6.702 -10.384 -8.407 555 HA VAL 70 HA VAL 70 -6.880 -7.521 -8.249 556 HB VAL 70 HB VAL 70 -5.750 -7.605 -10.332 557 1HG1 VAL 70 3HG1 VAL 70 -6.032 -9.964 -10.830 558 2HG1 VAL 70 2HG1 VAL 70 -7.732 -9.693 -11.214 559 3HG1 VAL 70 1HG1 VAL 70 -6.475 -8.975 -12.221 560 1HG2 VAL 70 1HG2 VAL 70 -7.752 -6.123 -10.189 561 2HG2 VAL 70 3HG2 VAL 70 -7.324 -6.598 -11.832 562 3HG2 VAL 70 2HG2 VAL 70 -8.676 -7.379 -11.012 563 H GLY 71 H GLY 71 -8.669 -7.874 -6.941 564 1HA GLY 71 HA3 GLY 71 -10.812 -9.584 -7.671 565 2HA GLY 71 HA2 GLY 71 -11.149 -7.924 -8.112 566 H GLY 72 H GLY 72 -10.192 -6.470 -6.064 567 1HA GLY 72 HA3 GLY 72 -11.925 -7.373 -3.878 568 2HA GLY 72 HA2 GLY 72 -11.502 -5.704 -4.206 569 H ILE 73 H ILE 73 -8.630 -6.833 -4.618 570 HA ILE 73 HA ILE 73 -8.022 -7.080 -1.753 571 HB ILE 73 HB ILE 73 -5.950 -8.162 -2.307 572 1HG1 ILE 73 2HG1 ILE 73 -6.650 -8.399 -5.191 573 2HG1 ILE 73 3HG1 ILE 73 -5.876 -6.921 -4.622 574 1HG2 ILE 73 1HG2 ILE 73 -8.017 -9.494 -2.079 575 2HG2 ILE 73 3HG2 ILE 73 -8.144 -9.512 -3.839 576 3HG2 ILE 73 2HG2 ILE 73 -6.757 -10.264 -3.044 577 1HD1 ILE 73 3HD1 ILE 73 -4.041 -8.256 -3.694 578 2HD1 ILE 73 2HD1 ILE 73 -4.808 -9.717 -4.323 579 3HD1 ILE 73 1HD1 ILE 73 -4.219 -8.479 -5.437 580 H TYR 74 H TYR 74 -5.350 -6.582 -1.783 581 HA TYR 74 HA TYR 74 -5.056 -3.867 -2.851 582 1HB TYR 74 HB2 TYR 74 -4.110 -4.488 -0.073 583 2HB TYR 74 HB3 TYR 74 -4.522 -2.931 -0.786 584 HD1 TYR 74 HD1 TYR 74 -6.712 -2.044 -0.584 585 HD2 TYR 74 HD2 TYR 74 -5.968 -6.070 0.558 586 HE1 TYR 74 HE1 TYR 74 -8.939 -2.166 0.453 587 HE2 TYR 74 HE2 TYR 74 -8.190 -6.197 1.588 588 HH TYR 74 HH TYR 74 -9.877 -4.676 2.521 589 H VAL 75 H VAL 75 -3.367 -4.118 -4.220 590 HA VAL 75 HA VAL 75 -1.178 -5.907 -3.477 591 HB VAL 75 HB VAL 75 -1.751 -4.469 -6.071 592 1HG1 VAL 75 3HG1 VAL 75 0.459 -6.405 -5.390 593 2HG1 VAL 75 2HG1 VAL 75 0.079 -5.822 -7.010 594 3HG1 VAL 75 1HG1 VAL 75 0.645 -4.695 -5.778 595 1HG2 VAL 75 2HG2 VAL 75 -1.946 -7.376 -5.305 596 2HG2 VAL 75 1HG2 VAL 75 -3.292 -6.286 -5.631 597 3HG2 VAL 75 3HG2 VAL 75 -2.183 -6.732 -6.929 598 H VAL 76 H VAL 76 0.140 -4.900 -2.069 599 HA VAL 76 HA VAL 76 1.012 -2.159 -2.684 600 HB VAL 76 HB VAL 76 1.373 -3.683 -0.101 601 1HG1 VAL 76 1HG1 VAL 76 1.720 -0.762 -0.778 602 2HG1 VAL 76 3HG1 VAL 76 1.842 -1.458 0.838 603 3HG1 VAL 76 2HG1 VAL 76 3.005 -1.912 -0.408 604 1HG2 VAL 76 2HG2 VAL 76 -0.999 -3.336 -0.570 605 2HG2 VAL 76 1HG2 VAL 76 -0.464 -2.332 0.779 606 3HG2 VAL 76 3HG2 VAL 76 -0.705 -1.614 -0.815 607 H LEU 77 H LEU 77 2.910 -1.939 -3.666 608 HA LEU 77 HA LEU 77 4.971 -4.001 -3.282 609 1HB LEU 77 HB2 LEU 77 4.642 -1.888 -5.411 610 2HB LEU 77 HB3 LEU 77 6.068 -2.898 -5.266 611 HG LEU 77 HG LEU 77 3.254 -3.884 -5.797 612 1HD1 LEU 77 3HD1 LEU 77 5.644 -3.667 -7.624 613 2HD1 LEU 77 2HD1 LEU 77 4.096 -4.410 -8.031 614 3HD1 LEU 77 1HD1 LEU 77 4.183 -2.680 -7.699 615 1HD2 LEU 77 1HD2 LEU 77 4.945 -5.358 -4.505 616 2HD2 LEU 77 3HD2 LEU 77 4.080 -6.043 -5.881 617 3HD2 LEU 77 2HD2 LEU 77 5.748 -5.508 -6.069 618 H VAL 78 H VAL 78 6.260 -3.491 -1.618 619 HA VAL 78 HA VAL 78 6.920 -0.672 -1.177 620 HB VAL 78 HB VAL 78 8.079 -2.339 0.815 621 1HG1 VAL 78 3HG1 VAL 78 5.739 -0.421 0.863 622 2HG1 VAL 78 2HG1 VAL 78 6.559 -1.054 2.293 623 3HG1 VAL 78 1HG1 VAL 78 7.435 -0.027 1.160 624 1HG2 VAL 78 2HG2 VAL 78 6.442 -4.029 0.109 625 2HG2 VAL 78 1HG2 VAL 78 6.139 -3.443 1.743 626 3HG2 VAL 78 3HG2 VAL 78 5.145 -2.872 0.403 627 H LYS 79 H LYS 79 8.589 -0.058 -2.369 628 HA LYS 79 HA LYS 79 10.922 -1.830 -2.600 629 1HB LYS 79 HB2 LYS 79 9.668 0.165 -4.406 630 2HB LYS 79 HB3 LYS 79 11.419 0.036 -4.457 631 1HG LYS 79 HG2 LYS 79 11.196 -2.385 -4.890 632 2HG LYS 79 HG3 LYS 79 9.432 -2.185 -4.937 633 1HD LYS 79 HD2 LYS 79 11.354 -0.707 -6.737 634 2HD LYS 79 HD3 LYS 79 10.544 -2.211 -7.181 635 1HE LYS 79 HE2 LYS 79 8.370 -1.132 -6.873 636 2HE LYS 79 HE3 LYS 79 9.178 0.371 -6.430 637 1HZ LYS 79 HZ2 LYS 79 9.394 -0.992 -9.059 638 2HZ LYS 79 HZ1 LYS 79 8.475 0.392 -8.738 639 3HZ LYS 79 HZ3 LYS 79 10.163 0.453 -8.633 640 HA PRO 80 HA PRO 80 12.598 1.051 0.524 641 1HB PRO 80 HB2 PRO 80 14.950 -0.629 -0.235 642 2HB PRO 80 HB3 PRO 80 14.396 -0.123 1.367 643 1HG PRO 80 HG2 PRO 80 13.941 -2.598 0.488 644 2HG PRO 80 HG3 PRO 80 12.733 -1.729 1.444 645 1HD PRO 80 HD2 PRO 80 12.764 -2.338 -1.461 646 2HD PRO 80 HD3 PRO 80 11.388 -2.155 -0.356 647 H ARG 81 H ARG 81 12.547 2.927 -0.716 648 HA ARG 81 HA ARG 81 14.193 3.387 -2.978 649 1HB ARG 81 HB2 ARG 81 12.197 4.806 -1.478 650 2HB ARG 81 HB3 ARG 81 13.561 5.868 -1.796 651 1HG ARG 81 HG2 ARG 81 13.362 5.476 -4.167 652 2HG ARG 81 HG3 ARG 81 12.091 4.282 -3.892 653 1HD ARG 81 HD2 ARG 81 10.677 6.024 -2.914 654 2HD ARG 81 HD3 ARG 81 11.940 7.215 -3.215 655 HE ARG 81 HE ARG 81 11.457 6.113 -5.661 656 1HH1 ARG 81 1HH1 ARG 81 9.492 7.669 -3.240 657 2HH1 ARG 81 2HH1 ARG 81 8.366 8.316 -4.386 658 1HH2 ARG 81 1HH2 ARG 81 9.979 6.961 -7.176 659 2HH2 ARG 81 2HH2 ARG 81 8.643 7.913 -6.623 660 H LYS 82 H LYS 82 14.596 3.916 0.464 661 HA LYS 82 HA LYS 82 17.313 4.932 -0.059 662 1HB LYS 82 HB2 LYS 82 15.575 5.510 2.347 663 2HB LYS 82 HB3 LYS 82 17.177 6.165 2.040 664 1HG LYS 82 HG2 LYS 82 16.285 7.287 0.023 665 2HG LYS 82 HG3 LYS 82 14.676 6.709 0.460 666 1HD LYS 82 HD2 LYS 82 14.803 7.924 2.573 667 2HD LYS 82 HD3 LYS 82 16.422 8.491 2.157 668 1HE LYS 82 HE2 LYS 82 13.884 9.101 0.646 669 2HE LYS 82 HE3 LYS 82 14.746 10.208 1.714 670 1HZ LYS 82 HZ3 LYS 82 16.649 10.101 0.226 671 2HZ LYS 82 HZ2 LYS 82 15.816 9.047 -0.801 672 3HZ LYS 82 HZ1 LYS 82 15.271 10.635 -0.600 673 H ARG 83 H ARG 83 18.608 4.661 2.183 674 HA ARG 83 HA ARG 83 18.293 1.839 2.980 675 1HB ARG 83 HB2 ARG 83 20.866 3.411 2.789 676 2HB ARG 83 HB3 ARG 83 20.711 1.707 3.185 677 1HG ARG 83 HG2 ARG 83 19.977 1.183 0.981 678 2HG ARG 83 HG3 ARG 83 19.858 2.894 0.560 679 1HD ARG 83 HD2 ARG 83 21.880 2.060 -0.383 680 2HD ARG 83 HD3 ARG 83 22.303 3.087 0.987 681 HE ARG 83 HE ARG 83 22.092 0.340 1.727 682 1HH1 ARG 83 1HH1 ARG 83 24.191 2.700 0.255 683 2HH1 ARG 83 2HH1 ARG 83 25.644 1.853 0.667 684 1HH2 ARG 83 1HH2 ARG 83 24.001 -0.782 2.274 685 2HH2 ARG 83 2HH2 ARG 83 25.537 -0.127 1.812 686 H GLY 84 H GLY 84 17.803 1.572 5.062 687 1HA GLY 84 HA3 GLY 84 18.284 3.795 6.914 688 2HA GLY 84 HA2 GLY 84 18.978 2.231 7.311 689 H HIS 85 H HIS 85 16.478 4.200 7.983 690 HA HIS 85 HA HIS 85 14.896 1.985 9.018 691 1HB HIS 85 HB2 HIS 85 15.495 3.829 10.529 692 2HB HIS 85 HB3 HIS 85 14.623 4.955 9.496 693 HD1 HIS 85 HD1 HIS 85 12.169 5.222 9.919 694 HD2 HIS 85 HD2 HIS 85 13.770 1.915 11.858 695 HE1 HIS 85 HE1 HIS 85 10.334 4.365 11.410 696 HE2 HIS 85 HE2 HIS 85 11.295 2.305 12.499 697 H HIS 86 H HIS 86 13.344 1.198 7.833 698 HA HIS 86 HA HIS 86 11.562 3.015 6.371 699 1HB HIS 86 HB2 HIS 86 12.699 0.441 5.254 700 2HB HIS 86 HB3 HIS 86 11.481 1.444 4.476 701 HD1 HIS 86 HD1 HIS 86 14.877 2.303 5.973 702 HD2 HIS 86 HD2 HIS 86 12.703 2.734 2.460 703 HE1 HIS 86 HE1 HIS 86 16.343 3.647 4.436 704 HE2 HIS 86 HE2 HIS 86 14.972 3.963 2.347 705 H THR 87 H THR 87 9.406 2.227 6.120 706 HA THR 87 HA THR 87 8.674 -0.329 7.215 707 HB THR 87 HB THR 87 7.843 2.160 8.715 708 HG1 THR 87 HG1 THR 87 9.488 -0.037 9.498 709 1HG2 THR 87 3HG2 THR 87 7.159 -0.747 9.143 710 2HG2 THR 87 2HG2 THR 87 6.758 0.565 10.252 711 3HG2 THR 87 1HG2 THR 87 6.049 0.529 8.635 712 H LEU 88 H LEU 88 6.473 -0.862 6.915 713 HA LEU 88 HA LEU 88 4.978 0.992 5.190 714 1HB LEU 88 HB2 LEU 88 5.846 -0.906 3.901 715 2HB LEU 88 HB3 LEU 88 5.063 -2.020 5.002 716 HG LEU 88 HG LEU 88 2.861 -1.046 4.320 717 1HD1 LEU 88 2HD1 LEU 88 3.675 1.120 3.562 718 2HD1 LEU 88 1HD1 LEU 88 4.531 0.339 2.231 719 3HD1 LEU 88 3HD1 LEU 88 2.770 0.297 2.289 720 1HD2 LEU 88 1HD2 LEU 88 3.950 -3.105 3.303 721 2HD2 LEU 88 3HD2 LEU 88 2.672 -2.329 2.369 722 3HD2 LEU 88 2HD2 LEU 88 4.360 -2.071 1.936 723 H GLU 89 H GLU 89 4.182 1.643 7.333 724 HA GLU 89 HA GLU 89 2.557 -0.106 8.882 725 1HB GLU 89 HB2 GLU 89 1.709 2.189 9.779 726 2HB GLU 89 HB3 GLU 89 3.366 1.691 10.104 727 1HG GLU 89 HG2 GLU 89 4.200 3.072 8.357 728 2HG GLU 89 HG3 GLU 89 2.566 3.429 7.799 729 H LEU 90 H LEU 90 0.842 -1.004 7.967 730 HA LEU 90 HA LEU 90 -0.946 0.677 6.354 731 1HB LEU 90 HB2 LEU 90 -0.846 -2.335 6.489 732 2HB LEU 90 HB3 LEU 90 -1.812 -1.370 5.388 733 HG LEU 90 HG LEU 90 1.170 -1.769 5.385 734 1HD1 LEU 90 1HD1 LEU 90 -0.198 -3.431 4.224 735 2HD1 LEU 90 3HD1 LEU 90 -0.946 -2.150 3.272 736 3HD1 LEU 90 2HD1 LEU 90 0.775 -2.489 3.095 737 1HD2 LEU 90 1HD2 LEU 90 -0.428 0.331 3.934 738 2HD2 LEU 90 3HD2 LEU 90 0.888 0.587 5.083 739 3HD2 LEU 90 2HD2 LEU 90 1.219 -0.136 3.506 740 H VAL 91 H VAL 91 -3.221 0.470 6.624 741 HA VAL 91 HA VAL 91 -4.139 -0.753 9.113 742 HB VAL 91 HB VAL 91 -5.519 1.598 9.209 743 1HG1 VAL 91 2HG1 VAL 91 -2.990 0.780 10.613 744 2HG1 VAL 91 1HG1 VAL 91 -3.951 2.182 11.085 745 3HG1 VAL 91 3HG1 VAL 91 -4.657 0.566 11.151 746 1HG2 VAL 91 3HG2 VAL 91 -2.702 2.289 8.376 747 2HG2 VAL 91 2HG2 VAL 91 -4.180 2.649 7.482 748 3HG2 VAL 91 1HG2 VAL 91 -3.882 3.423 9.038 749 H TYR 92 H TYR 92 -6.462 -0.841 9.287 750 HA TYR 92 HA TYR 92 -7.808 -0.948 6.679 751 1HB TYR 92 HB2 TYR 92 -7.621 -2.983 8.291 752 2HB TYR 92 HB3 TYR 92 -8.855 -2.157 9.232 753 HD1 TYR 92 HD1 TYR 92 -10.698 -3.576 9.008 754 HD2 TYR 92 HD2 TYR 92 -8.582 -2.355 5.525 755 HE1 TYR 92 HE1 TYR 92 -12.440 -4.591 7.601 756 HE2 TYR 92 HE2 TYR 92 -10.320 -3.365 4.108 757 HH TYR 92 HH TYR 92 -12.046 -5.114 4.277 758 H THR 93 H THR 93 -8.362 1.240 6.521 759 HA THR 93 HA THR 93 -10.203 2.264 8.591 760 HB THR 93 HB THR 93 -8.116 3.515 8.562 761 HG1 THR 93 HG1 THR 93 -10.459 4.532 8.463 762 1HG2 THR 93 1HG2 THR 93 -8.675 3.561 5.636 763 2HG2 THR 93 3HG2 THR 93 -7.859 4.949 6.361 764 3HG2 THR 93 2HG2 THR 93 -7.146 3.340 6.492 765 H ARG 94 H ARG 94 -11.640 4.030 7.794 766 HA ARG 94 HA ARG 94 -12.792 3.287 5.202 767 1HB ARG 94 HB2 ARG 94 -13.972 4.878 7.487 768 2HB ARG 94 HB3 ARG 94 -14.810 4.474 5.995 769 1HG ARG 94 HG2 ARG 94 -14.598 2.088 6.543 770 2HG ARG 94 HG3 ARG 94 -13.817 2.527 8.063 771 1HD ARG 94 HD2 ARG 94 -16.183 2.043 8.401 772 2HD ARG 94 HD3 ARG 94 -15.820 3.731 8.759 773 HE ARG 94 HE ARG 94 -16.644 3.536 6.087 774 1HH1 ARG 94 1HH1 ARG 94 -17.933 3.194 9.306 775 2HH1 ARG 94 2HH1 ARG 94 -19.540 3.653 8.850 776 1HH2 ARG 94 1HH2 ARG 94 -18.757 4.139 5.478 777 2HH2 ARG 94 2HH2 ARG 94 -20.009 4.190 6.675 778 HA PRO 95 HA PRO 95 -10.469 7.023 3.869 779 1HB PRO 95 HB2 PRO 95 -11.602 6.711 1.300 780 2HB PRO 95 HB3 PRO 95 -9.997 6.196 1.819 781 1HG PRO 95 HG2 PRO 95 -12.513 4.620 1.599 782 2HG PRO 95 HG3 PRO 95 -10.838 4.111 1.319 783 1HD PRO 95 HD2 PRO 95 -12.127 3.381 3.532 784 2HD PRO 95 HD3 PRO 95 -10.411 3.837 3.591 785 H PHE 96 H PHE 96 -13.855 6.208 3.324 786 HA PHE 96 HA PHE 96 -14.707 8.774 2.543 787 1HB PHE 96 HB2 PHE 96 -16.213 6.449 3.742 788 2HB PHE 96 HB3 PHE 96 -16.957 7.861 3.021 789 HD1 PHE 96 HD1 PHE 96 -14.823 4.941 2.308 790 HD2 PHE 96 HD2 PHE 96 -17.248 8.042 0.692 791 HE1 PHE 96 HE1 PHE 96 -14.719 3.864 0.100 792 HE2 PHE 96 HE2 PHE 96 -17.152 6.968 -1.520 793 HZ PHE 96 HZ PHE 96 -15.886 4.877 -1.819 794 H GLU 97 H GLU 97 -14.406 7.176 5.668 795 HA GLU 97 HA GLU 97 -15.481 9.566 6.993 796 1HB GLU 97 HB2 GLU 97 -14.944 6.810 8.117 797 2HB GLU 97 HB3 GLU 97 -15.644 8.155 9.006 798 1HG GLU 97 HG2 GLU 97 -16.861 6.807 6.605 799 2HG GLU 97 HG3 GLU 97 -17.344 6.572 8.284 800 H GLY 98 H GLY 98 -13.137 7.195 8.181 801 1HA GLY 98 HA3 GLY 98 -11.578 9.143 9.514 802 2HA GLY 98 HA2 GLY 98 -10.805 8.719 7.992 803 H ILE 99 H ILE 99 -9.255 8.175 9.930 804 HA ILE 99 HA ILE 99 -9.396 5.268 10.171 805 HB ILE 99 HB ILE 99 -7.024 6.956 10.890 806 1HG1 ILE 99 2HG1 ILE 99 -7.604 5.811 8.154 807 2HG1 ILE 99 3HG1 ILE 99 -7.883 7.500 8.573 808 1HG2 ILE 99 3HG2 ILE 99 -7.530 4.081 10.217 809 2HG2 ILE 99 2HG2 ILE 99 -5.923 4.782 10.009 810 3HG2 ILE 99 1HG2 ILE 99 -6.682 4.770 11.601 811 1HD1 ILE 99 3HD1 ILE 99 -5.475 7.702 9.108 812 2HD1 ILE 99 2HD1 ILE 99 -5.249 6.043 8.552 813 3HD1 ILE 99 1HD1 ILE 99 -5.789 7.285 7.422 814 H LYS 100 H LYS 100 -9.030 4.187 12.110 815 HA LYS 100 HA LYS 100 -9.231 5.775 14.570 816 1HB LYS 100 HB2 LYS 100 -10.877 3.324 13.943 817 2HB LYS 100 HB3 LYS 100 -10.943 4.267 15.413 818 1HG LYS 100 HG2 LYS 100 -11.868 6.142 14.257 819 2HG LYS 100 HG3 LYS 100 -11.605 5.364 12.695 820 1HD LYS 100 HD2 LYS 100 -13.122 3.557 14.215 821 2HD LYS 100 HD3 LYS 100 -13.843 5.145 14.484 822 1HE LYS 100 HE2 LYS 100 -13.998 5.488 12.067 823 2HE LYS 100 HE3 LYS 100 -13.262 3.908 11.795 824 1HZ LYS 100 HZ2 LYS 100 -15.151 2.877 12.895 825 2HZ LYS 100 HZ1 LYS 100 -15.857 4.392 13.158 826 3HZ LYS 100 HZ3 LYS 100 -15.662 3.810 11.580 827 HA PRO 101 HA PRO 101 -6.212 3.072 16.299 828 1HB PRO 101 HB2 PRO 101 -7.236 2.513 18.778 829 2HB PRO 101 HB3 PRO 101 -6.460 4.041 18.356 830 1HG PRO 101 HG2 PRO 101 -9.370 3.373 18.511 831 2HG PRO 101 HG3 PRO 101 -8.527 4.840 19.041 832 1HD PRO 101 HD2 PRO 101 -9.920 4.741 16.739 833 2HD PRO 101 HD3 PRO 101 -8.451 5.724 16.916 834 H GLU 102 H GLU 102 -9.555 2.006 16.641 835 HA GLU 102 HA GLU 102 -9.014 -0.710 17.155 836 1HB GLU 102 HB2 GLU 102 -11.378 -1.070 16.439 837 2HB GLU 102 HB3 GLU 102 -11.175 0.162 17.680 838 1HG GLU 102 HG2 GLU 102 -11.310 1.894 15.979 839 2HG GLU 102 HG3 GLU 102 -11.520 0.661 14.741 840 H ASN 103 H ASN 103 -9.019 1.166 14.258 841 HA ASN 103 HA ASN 103 -9.544 -0.646 12.266 842 1HB ASN 103 HB2 ASN 103 -7.462 1.531 12.366 843 2HB ASN 103 HB3 ASN 103 -7.839 0.632 10.902 844 1HD2 ASN 103 1HD2 ASN 103 -10.428 1.199 13.078 845 2HD2 ASN 103 2HD2 ASN 103 -11.193 2.461 12.183 846 H GLU 104 H GLU 104 -8.558 -2.350 11.331 847 HA GLU 104 HA GLU 104 -6.738 -3.909 12.675 848 1HB GLU 104 HB2 GLU 104 -8.258 -4.368 10.584 849 2HB GLU 104 HB3 GLU 104 -6.806 -3.960 9.685 850 1HG GLU 104 HG2 GLU 104 -5.618 -5.766 10.566 851 2HG GLU 104 HG3 GLU 104 -6.796 -6.019 11.852 852 H ARG 105 H ARG 105 -4.523 -4.438 12.215 853 HA ARG 105 HA ARG 105 -3.007 -2.150 11.139 854 1HB ARG 105 HB2 ARG 105 -2.858 -2.414 13.622 855 2HB ARG 105 HB3 ARG 105 -2.143 -3.997 13.371 856 1HG ARG 105 HG2 ARG 105 -0.173 -2.951 13.460 857 2HG ARG 105 HG3 ARG 105 -0.565 -2.378 11.831 858 1HD ARG 105 HD2 ARG 105 0.087 -0.524 13.254 859 2HD ARG 105 HD3 ARG 105 -1.599 -0.383 12.760 860 HE ARG 105 HE ARG 105 -1.730 -1.649 15.158 861 1HH1 ARG 105 1HH1 ARG 105 -0.259 1.311 14.052 862 2HH1 ARG 105 2HH1 ARG 105 -0.433 2.117 15.575 863 1HH2 ARG 105 1HH2 ARG 105 -1.962 -0.594 17.167 864 2HH2 ARG 105 2HH2 ARG 105 -1.400 1.034 17.345 865 H TYR 106 H TYR 106 -0.941 -2.630 10.230 866 HA TYR 106 HA TYR 106 0.054 -5.230 9.811 867 1HB TYR 106 HB2 TYR 106 -1.895 -5.372 8.287 868 2HB TYR 106 HB3 TYR 106 -1.275 -3.981 7.394 869 HD1 TYR 106 HD1 TYR 106 0.504 -4.231 5.812 870 HD2 TYR 106 HD2 TYR 106 -0.686 -7.525 8.223 871 HE1 TYR 106 HE1 TYR 106 1.830 -5.737 4.396 872 HE2 TYR 106 HE2 TYR 106 0.640 -9.043 6.814 873 HH TYR 106 HH TYR 106 1.545 -9.114 4.528 874 H THR 107 H THR 107 1.577 -3.692 10.787 875 HA THR 107 HA THR 107 2.821 -1.791 8.973 876 HB THR 107 HB THR 107 3.613 -2.444 11.813 877 HG1 THR 107 HG1 THR 107 1.328 -1.526 11.166 878 1HG2 THR 107 1HG2 THR 107 5.270 -1.207 10.484 879 2HG2 THR 107 3HG2 THR 107 4.057 0.021 10.130 880 3HG2 THR 107 2HG2 THR 107 4.604 -0.224 11.787 881 H LEU 108 H LEU 108 4.059 -2.805 7.486 882 HA LEU 108 HA LEU 108 5.758 -5.029 8.254 883 1HB LEU 108 HB2 LEU 108 4.626 -5.211 6.144 884 2HB LEU 108 HB3 LEU 108 5.260 -3.669 5.611 885 HG LEU 108 HG LEU 108 7.500 -4.583 5.463 886 1HD1 LEU 108 2HD1 LEU 108 6.293 -7.156 6.465 887 2HD1 LEU 108 1HD1 LEU 108 7.948 -6.946 5.892 888 3HD1 LEU 108 3HD1 LEU 108 7.408 -6.116 7.352 889 1HD2 LEU 108 3HD2 LEU 108 6.044 -4.849 3.531 890 2HD2 LEU 108 2HD2 LEU 108 7.165 -6.203 3.676 891 3HD2 LEU 108 1HD2 LEU 108 5.481 -6.398 4.160 892 H HIS 109 H HIS 109 7.355 -4.209 9.550 893 HA HIS 109 HA HIS 109 8.859 -1.878 8.808 894 1HB HIS 109 HB2 HIS 109 8.957 -3.842 11.036 895 2HB HIS 109 HB3 HIS 109 10.367 -2.842 10.728 896 HD1 HIS 109 HD1 HIS 109 10.296 -0.486 11.600 897 HD2 HIS 109 HD2 HIS 109 6.584 -2.349 11.694 898 HE1 HIS 109 HE1 HIS 109 8.790 1.083 12.863 899 HE2 HIS 109 HE2 HIS 109 6.528 -0.027 12.834 900 H LEU 110 H LEU 110 11.016 -1.799 8.185 901 HA LEU 110 HA LEU 110 12.307 -4.250 7.296 902 1HB LEU 110 HB2 LEU 110 11.662 -1.959 5.439 903 2HB LEU 110 HB3 LEU 110 12.723 -3.294 5.041 904 HG LEU 110 HG LEU 110 9.778 -3.557 5.669 905 1HD1 LEU 110 2HD1 LEU 110 11.244 -3.582 3.033 906 2HD1 LEU 110 1HD1 LEU 110 9.544 -3.999 3.257 907 3HD1 LEU 110 3HD1 LEU 110 10.101 -2.359 3.590 908 1HD2 LEU 110 1HD2 LEU 110 11.168 -5.541 6.201 909 2HD2 LEU 110 3HD2 LEU 110 9.998 -5.826 4.913 910 3HD2 LEU 110 2HD2 LEU 110 11.699 -5.575 4.519 911 H ASN 111 H ASN 111 14.204 -4.051 8.345 912 HA ASN 111 HA ASN 111 15.497 -1.474 8.615 913 1HB ASN 111 HB2 ASN 111 15.605 -3.054 10.486 914 2HB ASN 111 HB3 ASN 111 16.392 -4.244 9.456 915 1HD2 ASN 111 1HD2 ASN 111 18.210 -4.367 10.735 916 2HD2 ASN 111 2HD2 ASN 111 19.373 -3.092 10.827 917 H VAL 112 H VAL 112 15.495 -1.318 6.229 918 HA VAL 112 HA VAL 112 16.784 -2.885 4.415 919 HB VAL 112 HB VAL 112 17.137 0.099 4.319 920 1HG1 VAL 112 2HG1 VAL 112 18.126 -1.223 2.530 921 2HG1 VAL 112 1HG1 VAL 112 16.565 -1.985 2.223 922 3HG1 VAL 112 3HG1 VAL 112 16.775 -0.260 1.926 923 1HG2 VAL 112 2HG2 VAL 112 14.596 -1.462 3.912 924 2HG2 VAL 112 1HG2 VAL 112 14.876 -0.120 5.019 925 3HG2 VAL 112 3HG2 VAL 112 14.849 0.163 3.280 926 H LYS 113 H LYS 113 18.849 -3.152 3.645 927 HA LYS 113 HA LYS 113 20.979 -2.611 5.516 928 1HB LYS 113 HB2 LYS 113 20.954 -4.050 2.857 929 2HB LYS 113 HB3 LYS 113 22.346 -3.951 3.929 930 1HG LYS 113 HG2 LYS 113 19.709 -5.159 4.718 931 2HG LYS 113 HG3 LYS 113 21.068 -6.081 4.072 932 1HD LYS 113 HD2 LYS 113 22.462 -5.359 5.936 933 2HD LYS 113 HD3 LYS 113 21.130 -4.391 6.572 934 1HE LYS 113 HE2 LYS 113 21.309 -6.495 7.771 935 2HE LYS 113 HE3 LYS 113 19.799 -6.420 6.865 936 1HZ LYS 113 HZ2 LYS 113 22.251 -7.863 6.015 937 2HZ LYS 113 HZ1 LYS 113 20.854 -8.579 6.643 938 3HZ LYS 113 HZ3 LYS 113 20.802 -7.791 5.147 No H/Q in entry = 938 Start of MODEL 30 1 H1 GLY -2 HT2 GLY -2 -5.870 -19.530 1.037 2 H2 GLY -2 HT1 GLY -2 -6.480 -18.158 0.259 3 H3 GLY -2 HT3 GLY -2 -4.808 -18.399 0.364 4 1HA GLY -2 HA2 GLY -2 -5.510 -16.729 1.950 5 2HA GLY -2 HA3 GLY -2 -4.878 -18.154 2.758 6 H SER -1 H SER -1 -6.387 -16.523 4.237 7 HA SER -1 HA SER -1 -9.115 -17.585 4.233 8 1HB SER -1 HB2 SER -1 -7.263 -17.676 6.628 9 2HB SER -1 HB3 SER -1 -8.981 -18.074 6.655 10 HG SER -1 HG SER -1 -7.417 -19.869 6.406 11 H HIS 0 H HIS 0 -10.421 -15.891 4.252 12 HA HIS 0 HA HIS 0 -9.525 -13.386 5.465 13 1HB HIS 0 HB2 HIS 0 -10.376 -13.295 3.161 14 2HB HIS 0 HB3 HIS 0 -11.915 -13.960 3.700 15 HD1 HIS 0 HD1 HIS 0 -13.621 -12.346 4.599 16 HD2 HIS 0 HD2 HIS 0 -9.876 -10.615 4.098 17 HE1 HIS 0 HE1 HIS 0 -13.964 -9.883 4.968 18 HE2 HIS 0 HE2 HIS 0 -11.702 -8.846 4.575 19 H MET 1 H MET 1 -10.341 -12.609 7.307 20 HA MET 1 HA MET 1 -12.616 -14.040 8.509 21 1HB MET 1 HB2 MET 1 -10.415 -12.473 9.867 22 2HB MET 1 HB3 MET 1 -11.736 -13.296 10.685 23 1HG MET 1 HG2 MET 1 -9.592 -14.607 9.029 24 2HG MET 1 HG3 MET 1 -9.681 -14.588 10.789 25 1HE MET 1 HE3 MET 1 -12.804 -14.964 11.281 26 2HE MET 1 HE2 MET 1 -12.902 -16.717 11.457 27 3HE MET 1 HE1 MET 1 -11.566 -15.830 12.190 28 H ILE 2 H ILE 2 -13.982 -12.714 9.983 29 HA ILE 2 HA ILE 2 -14.579 -10.156 8.693 30 HB ILE 2 HB ILE 2 -16.429 -11.742 8.889 31 1HG1 ILE 2 2HG1 ILE 2 -16.803 -9.390 10.759 32 2HG1 ILE 2 3HG1 ILE 2 -16.854 -9.290 9.002 33 1HG2 ILE 2 1HG2 ILE 2 -15.690 -12.929 10.882 34 2HG2 ILE 2 3HG2 ILE 2 -16.012 -11.501 11.866 35 3HG2 ILE 2 2HG2 ILE 2 -17.344 -12.346 11.077 36 1HD1 ILE 2 2HD1 ILE 2 -18.787 -10.780 8.977 37 2HD1 ILE 2 1HD1 ILE 2 -18.739 -10.865 10.738 38 3HD1 ILE 2 3HD1 ILE 2 -19.085 -9.332 9.938 39 H ALA 3 H ALA 3 -13.583 -11.523 11.747 40 HA ALA 3 HA ALA 3 -12.808 -8.918 12.706 41 1HB ALA 3 HB1 ALA 3 -14.890 -10.477 14.235 42 2HB ALA 3 HB3 ALA 3 -14.104 -8.992 14.770 43 3HB ALA 3 HB2 ALA 3 -15.165 -8.970 13.362 44 HA PRO 4 HA PRO 4 -9.710 -11.401 14.650 45 1HB PRO 4 HB2 PRO 4 -8.882 -9.760 16.635 46 2HB PRO 4 HB3 PRO 4 -8.525 -9.447 14.933 47 1HG PRO 4 HG2 PRO 4 -10.660 -8.265 16.671 48 2HG PRO 4 HG3 PRO 4 -9.595 -7.459 15.504 49 1HD PRO 4 HD2 PRO 4 -12.163 -8.128 14.934 50 2HD PRO 4 HD3 PRO 4 -10.884 -8.088 13.704 51 H LEU 5 H LEU 5 -9.890 -13.095 15.964 52 HA LEU 5 HA LEU 5 -11.451 -12.801 18.445 53 1HB LEU 5 HB2 LEU 5 -12.687 -14.111 16.782 54 2HB LEU 5 HB3 LEU 5 -11.327 -15.206 16.622 55 HG LEU 5 HG LEU 5 -11.627 -15.848 19.014 56 1HD1 LEU 5 3HD1 LEU 5 -12.746 -13.826 19.788 57 2HD1 LEU 5 2HD1 LEU 5 -14.145 -14.206 18.784 58 3HD1 LEU 5 1HD1 LEU 5 -13.715 -15.258 20.133 59 1HD2 LEU 5 3HD2 LEU 5 -14.028 -16.239 17.232 60 2HD2 LEU 5 2HD2 LEU 5 -12.557 -17.213 17.226 61 3HD2 LEU 5 1HD2 LEU 5 -13.615 -17.221 18.637 62 H SER 6 H SER 6 -8.668 -14.141 16.837 63 HA SER 6 HA SER 6 -7.557 -14.861 19.464 64 1HB SER 6 HB2 SER 6 -7.245 -16.453 16.905 65 2HB SER 6 HB3 SER 6 -6.432 -16.803 18.431 66 HG SER 6 HG SER 6 -8.171 -17.766 19.083 67 H VAL 7 H VAL 7 -6.610 -14.496 16.041 68 HA VAL 7 HA VAL 7 -4.756 -12.406 16.649 69 HB VAL 7 HB VAL 7 -3.367 -14.221 17.428 70 1HG1 VAL 7 1HG1 VAL 7 -4.455 -16.063 16.268 71 2HG1 VAL 7 3HG1 VAL 7 -3.817 -15.488 14.728 72 3HG1 VAL 7 2HG1 VAL 7 -2.716 -16.080 15.972 73 1HG2 VAL 7 1HG2 VAL 7 -2.262 -12.419 16.205 74 2HG2 VAL 7 3HG2 VAL 7 -1.433 -13.956 15.962 75 3HG2 VAL 7 2HG2 VAL 7 -2.473 -13.307 14.695 76 H LYS 8 H LYS 8 -4.508 -11.157 14.901 77 HA LYS 8 HA LYS 8 -5.501 -12.158 12.350 78 1HB LYS 8 HB2 LYS 8 -5.431 -9.694 11.736 79 2HB LYS 8 HB3 LYS 8 -6.587 -10.158 12.970 80 1HG LYS 8 HG2 LYS 8 -3.892 -9.216 13.806 81 2HG LYS 8 HG3 LYS 8 -5.087 -8.038 13.258 82 1HD LYS 8 HD2 LYS 8 -6.665 -8.848 14.938 83 2HD LYS 8 HD3 LYS 8 -5.484 -10.042 15.479 84 1HE LYS 8 HE2 LYS 8 -3.952 -8.239 16.105 85 2HE LYS 8 HE3 LYS 8 -5.138 -7.049 15.573 86 1HZ LYS 8 HZ1 LYS 8 -6.663 -7.869 17.260 87 2HZ LYS 8 HZ3 LYS 8 -5.520 -9.007 17.773 88 3HZ LYS 8 HZ2 LYS 8 -5.213 -7.354 17.963 89 H ASP 9 H ASP 9 -2.658 -11.301 13.955 90 HA ASP 9 HA ASP 9 -0.473 -11.062 13.366 91 1HB ASP 9 HB2 ASP 9 -0.580 -13.356 12.853 92 2HB ASP 9 HB3 ASP 9 -1.466 -13.072 11.360 93 H ASN 10 H ASN 10 0.005 -9.061 12.743 94 HA ASN 10 HA ASN 10 -0.192 -8.440 9.889 95 1HB ASN 10 HB2 ASN 10 -0.447 -5.988 11.011 96 2HB ASN 10 HB3 ASN 10 -1.798 -6.984 10.481 97 1HD2 ASN 10 1HD2 ASN 10 -0.108 -5.639 13.148 98 2HD2 ASN 10 2HD2 ASN 10 -1.199 -6.153 14.384 99 H ASP 11 H ASP 11 0.972 -6.516 12.574 100 HA ASP 11 HA ASP 11 3.193 -5.466 11.398 101 1HB ASP 11 HB2 ASP 11 3.137 -6.205 14.317 102 2HB ASP 11 HB3 ASP 11 3.932 -4.834 13.553 103 H LYS 12 H LYS 12 4.444 -6.815 10.214 104 HA LYS 12 HA LYS 12 5.735 -9.065 11.571 105 1HB LYS 12 HB2 LYS 12 6.471 -9.718 9.278 106 2HB LYS 12 HB3 LYS 12 4.727 -9.680 9.493 107 1HG LYS 12 HG2 LYS 12 4.559 -7.604 8.320 108 2HG LYS 12 HG3 LYS 12 6.317 -7.459 8.239 109 1HD LYS 12 HD2 LYS 12 4.756 -9.721 6.999 110 2HD LYS 12 HD3 LYS 12 5.236 -8.264 6.127 111 1HE LYS 12 HE2 LYS 12 7.593 -8.761 6.639 112 2HE LYS 12 HE3 LYS 12 7.089 -10.241 7.453 113 1HZ LYS 12 HZ3 LYS 12 6.661 -9.621 4.580 114 2HZ LYS 12 HZ2 LYS 12 7.825 -10.682 5.198 115 3HZ LYS 12 HZ1 LYS 12 6.180 -11.042 5.363 116 H TRP 13 H TRP 13 6.876 -7.323 12.769 117 HA TRP 13 HA TRP 13 8.713 -5.551 11.810 118 1HB TRP 13 HB2 TRP 13 9.296 -7.183 14.255 119 2HB TRP 13 HB3 TRP 13 9.541 -5.464 13.982 120 HD1 TRP 13 HD1 TRP 13 6.721 -7.975 14.734 121 HE1 TRP 13 HE1 TRP 13 4.728 -6.701 15.743 122 HE3 TRP 13 HE3 TRP 13 8.489 -3.196 14.280 123 HZ2 TRP 13 HZ2 TRP 13 3.988 -4.028 16.270 124 HZ3 TRP 13 HZ3 TRP 13 7.081 -1.342 15.075 125 HH2 TRP 13 HH2 TRP 13 4.884 -1.751 16.055 126 H VAL 14 H VAL 14 10.156 -6.002 10.193 127 HA VAL 14 HA VAL 14 12.161 -8.063 10.799 128 HB VAL 14 HB VAL 14 12.038 -9.069 8.565 129 1HG1 VAL 14 1HG1 VAL 14 9.443 -9.196 10.095 130 2HG1 VAL 14 3HG1 VAL 14 9.986 -10.372 8.899 131 3HG1 VAL 14 2HG1 VAL 14 10.887 -10.163 10.401 132 1HG2 VAL 14 2HG2 VAL 14 9.560 -7.382 8.240 133 2HG2 VAL 14 1HG2 VAL 14 11.066 -7.226 7.334 134 3HG2 VAL 14 3HG2 VAL 14 10.068 -8.667 7.145 135 H ASP 15 H ASP 15 13.676 -8.166 8.697 136 HA ASP 15 HA ASP 15 14.598 -5.408 8.305 137 1HB ASP 15 HB2 ASP 15 16.787 -6.306 7.987 138 2HB ASP 15 HB3 ASP 15 16.099 -7.122 9.390 139 H THR 16 H THR 16 16.177 -5.623 6.088 140 HA THR 16 HA THR 16 15.011 -7.022 3.927 141 HB THR 16 HB THR 16 13.241 -5.230 4.519 142 HG1 THR 16 HG1 THR 16 14.105 -6.255 2.181 143 1HG2 THR 16 2HG2 THR 16 14.784 -3.342 4.711 144 2HG2 THR 16 1HG2 THR 16 15.223 -3.527 3.013 145 3HG2 THR 16 3HG2 THR 16 13.581 -3.061 3.453 146 H HIS 17 H HIS 17 15.519 -5.638 1.770 147 HA HIS 17 HA HIS 17 18.339 -4.813 1.981 148 1HB HIS 17 HB2 HIS 17 16.831 -6.374 -0.093 149 2HB HIS 17 HB3 HIS 17 18.282 -5.490 -0.550 150 HD1 HIS 17 HD1 HIS 17 17.138 -8.604 1.006 151 HD2 HIS 17 HD2 HIS 17 20.668 -6.420 0.806 152 HE1 HIS 17 HE1 HIS 17 18.950 -10.184 1.745 153 HE2 HIS 17 HE2 HIS 17 21.066 -8.818 1.689 154 H VAL 18 H VAL 18 18.392 -3.845 -0.776 155 HA VAL 18 HA VAL 18 16.868 -1.365 -0.350 156 HB VAL 18 HB VAL 18 19.235 -1.780 -2.179 157 1HG1 VAL 18 2HG1 VAL 18 17.760 0.707 -1.308 158 2HG1 VAL 18 1HG1 VAL 18 19.275 0.699 -2.213 159 3HG1 VAL 18 3HG1 VAL 18 17.816 0.020 -2.932 160 1HG2 VAL 18 1HG2 VAL 18 19.106 -0.526 0.561 161 2HG2 VAL 18 3HG2 VAL 18 19.899 -2.045 0.144 162 3HG2 VAL 18 2HG2 VAL 18 20.513 -0.523 -0.503 163 H GLY 19 H GLY 19 15.224 -0.886 -1.600 164 1HA GLY 19 HA3 GLY 19 15.086 -1.294 -4.380 165 2HA GLY 19 HA2 GLY 19 13.742 -0.876 -3.337 166 H LYS 20 H LYS 20 14.624 -3.536 -1.868 167 HA LYS 20 HA LYS 20 13.985 -5.627 -3.643 168 1HB LYS 20 HB2 LYS 20 14.872 -5.489 -1.058 169 2HB LYS 20 HB3 LYS 20 13.227 -6.045 -0.832 170 1HG LYS 20 HG2 LYS 20 14.400 -8.015 -0.992 171 2HG LYS 20 HG3 LYS 20 13.815 -7.787 -2.645 172 1HD LYS 20 HD2 LYS 20 15.907 -7.049 -3.399 173 2HD LYS 20 HD3 LYS 20 16.471 -6.750 -1.760 174 1HE LYS 20 HE2 LYS 20 17.511 -8.752 -2.703 175 2HE LYS 20 HE3 LYS 20 16.495 -9.150 -1.317 176 1HZ LYS 20 HZ3 LYS 20 14.747 -9.831 -2.842 177 2HZ LYS 20 HZ2 LYS 20 15.724 -9.452 -4.170 178 3HZ LYS 20 HZ1 LYS 20 16.165 -10.709 -3.128 179 H THR 21 H THR 21 12.198 -4.845 -4.804 180 HA THR 21 HA THR 21 9.819 -3.861 -3.895 181 HB THR 21 HB THR 21 9.926 -5.855 -6.148 182 HG1 THR 21 HG1 THR 21 10.734 -4.226 -7.440 183 1HG2 THR 21 2HG2 THR 21 7.722 -4.982 -5.517 184 2HG2 THR 21 1HG2 THR 21 8.319 -3.335 -5.712 185 3HG2 THR 21 3HG2 THR 21 8.209 -4.403 -7.111 186 H THR 22 H THR 22 8.803 -4.661 -2.160 187 HA THR 22 HA THR 22 8.278 -7.539 -2.005 188 HB THR 22 HB THR 22 7.949 -5.326 0.030 189 HG1 THR 22 HG1 THR 22 9.998 -6.827 -0.628 190 1HG2 THR 22 1HG2 THR 22 6.136 -6.984 0.272 191 2HG2 THR 22 3HG2 THR 22 7.343 -8.265 0.378 192 3HG2 THR 22 2HG2 THR 22 7.260 -7.024 1.630 193 H GLU 23 H GLU 23 6.622 -8.004 -3.300 194 HA GLU 23 HA GLU 23 4.294 -6.331 -3.502 195 1HB GLU 23 HB2 GLU 23 5.304 -7.631 -5.400 196 2HB GLU 23 HB3 GLU 23 4.749 -9.100 -4.608 197 1HG GLU 23 HG2 GLU 23 2.444 -8.390 -4.814 198 2HG GLU 23 HG3 GLU 23 2.971 -6.848 -5.493 199 H ILE 24 H ILE 24 2.445 -6.550 -2.432 200 HA ILE 24 HA ILE 24 1.906 -9.073 -1.043 201 HB ILE 24 HB ILE 24 1.565 -6.353 0.189 202 1HG1 ILE 24 2HG1 ILE 24 3.544 -8.570 0.731 203 2HG1 ILE 24 3HG1 ILE 24 3.908 -6.965 0.114 204 1HG2 ILE 24 1HG2 ILE 24 -0.160 -7.979 0.839 205 2HG2 ILE 24 3HG2 ILE 24 1.104 -9.093 1.359 206 3HG2 ILE 24 2HG2 ILE 24 0.889 -7.553 2.191 207 1HD1 ILE 24 2HD1 ILE 24 2.823 -7.570 2.850 208 2HD1 ILE 24 1HD1 ILE 24 4.501 -7.197 2.463 209 3HD1 ILE 24 3HD1 ILE 24 3.250 -5.977 2.225 210 H HIS 25 H HIS 25 0.245 -9.721 -2.294 211 HA HIS 25 HA HIS 25 -1.885 -7.919 -3.044 212 1HB HIS 25 HB2 HIS 25 -1.350 -10.841 -3.510 213 2HB HIS 25 HB3 HIS 25 -2.887 -10.116 -3.934 214 HD1 HIS 25 HD1 HIS 25 -2.819 -10.024 -6.421 215 HD2 HIS 25 HD2 HIS 25 0.694 -8.640 -4.692 216 HE1 HIS 25 HE1 HIS 25 -1.431 -9.152 -8.328 217 HE2 HIS 25 HE2 HIS 25 0.731 -8.411 -7.269 218 H LEU 26 H LEU 26 -2.577 -7.329 -0.914 219 HA LEU 26 HA LEU 26 -3.517 -9.284 0.942 220 1HB LEU 26 HB2 LEU 26 -4.059 -6.328 0.766 221 2HB LEU 26 HB3 LEU 26 -4.488 -7.341 2.129 222 HG LEU 26 HG LEU 26 -1.651 -6.924 1.184 223 1HD1 LEU 26 1HD1 LEU 26 -3.139 -5.558 3.423 224 2HD1 LEU 26 3HD1 LEU 26 -1.414 -5.408 3.088 225 3HD1 LEU 26 2HD1 LEU 26 -2.593 -4.803 1.924 226 1HD2 LEU 26 1HD2 LEU 26 -2.116 -8.995 2.457 227 2HD2 LEU 26 3HD2 LEU 26 -1.034 -7.887 3.300 228 3HD2 LEU 26 2HD2 LEU 26 -2.726 -8.005 3.784 229 H LYS 27 H LYS 27 -5.724 -9.500 1.678 230 HA LYS 27 HA LYS 27 -7.678 -9.124 -0.495 231 1HB LYS 27 HB2 LYS 27 -7.851 -11.242 1.642 232 2HB LYS 27 HB3 LYS 27 -8.773 -11.133 0.151 233 1HG LYS 27 HG2 LYS 27 -6.725 -11.552 -1.135 234 2HG LYS 27 HG3 LYS 27 -5.827 -11.714 0.376 235 1HD LYS 27 HD2 LYS 27 -6.375 -13.910 -0.431 236 2HD LYS 27 HD3 LYS 27 -7.339 -13.581 1.010 237 1HE LYS 27 HE2 LYS 27 -9.252 -13.005 -0.397 238 2HE LYS 27 HE3 LYS 27 -8.290 -13.318 -1.841 239 1HZ LYS 27 HZ1 LYS 27 -8.990 -15.323 0.235 240 2HZ LYS 27 HZ3 LYS 27 -9.701 -15.197 -1.296 241 3HZ LYS 27 HZ2 LYS 27 -8.070 -15.622 -1.153 242 H GLY 28 H GLY 28 -9.968 -8.989 0.307 243 1HA GLY 28 HA3 GLY 28 -10.152 -6.857 2.182 244 2HA GLY 28 HA2 GLY 28 -10.692 -8.361 2.906 245 H ASN 29 H ASN 29 -12.186 -5.914 2.298 246 HA ASN 29 HA ASN 29 -13.856 -6.319 0.049 247 1HB ASN 29 HB2 ASN 29 -14.624 -8.255 1.351 248 2HB ASN 29 HB3 ASN 29 -14.991 -7.201 2.713 249 1HD2 ASN 29 1HD2 ASN 29 -16.796 -5.908 2.655 250 2HD2 ASN 29 2HD2 ASN 29 -18.042 -6.096 1.473 251 HA PRO 30 HA PRO 30 -13.911 -2.088 1.934 252 1HB PRO 30 HB2 PRO 30 -14.192 -0.854 -0.504 253 2HB PRO 30 HB3 PRO 30 -12.637 -1.231 0.246 254 1HG PRO 30 HG2 PRO 30 -14.148 -2.743 -1.851 255 2HG PRO 30 HG3 PRO 30 -12.412 -2.388 -1.760 256 1HD PRO 30 HD2 PRO 30 -13.374 -4.790 -1.080 257 2HD PRO 30 HD3 PRO 30 -12.029 -4.053 -0.186 258 H THR 31 H THR 31 -16.094 -3.982 0.127 259 HA THR 31 HA THR 31 -18.187 -2.279 -0.435 260 HB THR 31 HB THR 31 -18.809 -4.965 0.718 261 HG1 THR 31 HG1 THR 31 -18.195 -5.586 -1.645 262 1HG2 THR 31 2HG2 THR 31 -19.707 -3.483 -1.751 263 2HG2 THR 31 1HG2 THR 31 -20.323 -5.045 -1.213 264 3HG2 THR 31 3HG2 THR 31 -20.596 -3.604 -0.233 265 H THR 32 H THR 32 -16.997 -3.330 2.621 266 HA THR 32 HA THR 32 -19.383 -2.770 4.117 267 HB THR 32 HB THR 32 -17.891 -2.963 6.112 268 HG1 THR 32 HG1 THR 32 -15.719 -3.872 5.469 269 1HG2 THR 32 2HG2 THR 32 -17.694 -5.190 4.080 270 2HG2 THR 32 1HG2 THR 32 -17.385 -5.360 5.808 271 3HG2 THR 32 3HG2 THR 32 -19.000 -4.942 5.238 272 H GLY 33 H GLY 33 -16.288 -1.113 3.559 273 1HA GLY 33 HA3 GLY 33 -17.354 1.264 4.916 274 2HA GLY 33 HA2 GLY 33 -16.861 1.404 3.237 275 H TYR 34 H TYR 34 -14.608 -0.527 3.705 276 HA TYR 34 HA TYR 34 -12.770 1.451 4.833 277 1HB TYR 34 HB2 TYR 34 -12.939 -1.439 5.676 278 2HB TYR 34 HB3 TYR 34 -11.528 -0.435 5.976 279 HD1 TYR 34 HD1 TYR 34 -15.110 -0.870 6.771 280 HD2 TYR 34 HD2 TYR 34 -11.481 1.124 7.778 281 HE1 TYR 34 HE1 TYR 34 -16.127 -0.088 8.869 282 HE2 TYR 34 HE2 TYR 34 -12.492 1.906 9.878 283 HH TYR 34 HH TYR 34 -14.731 2.325 10.802 284 H MET 35 H MET 35 -10.738 1.476 3.936 285 HA MET 35 HA MET 35 -10.293 -0.289 1.645 286 1HB MET 35 HB2 MET 35 -10.390 1.819 0.710 287 2HB MET 35 HB3 MET 35 -9.777 2.602 2.159 288 1HG MET 35 HG2 MET 35 -7.543 1.529 1.617 289 2HG MET 35 HG3 MET 35 -8.242 1.140 0.057 290 1HE MET 35 HE3 MET 35 -7.405 4.079 2.524 291 2HE MET 35 HE2 MET 35 -7.834 5.481 1.545 292 3HE MET 35 HE1 MET 35 -9.091 4.376 2.098 293 H TRP 36 H TRP 36 -8.133 -0.956 1.244 294 HA TRP 36 HA TRP 36 -6.493 -1.122 3.675 295 1HB TRP 36 HB2 TRP 36 -7.161 -2.988 1.539 296 2HB TRP 36 HB3 TRP 36 -5.428 -2.871 1.810 297 HD1 TRP 36 HD1 TRP 36 -8.264 -4.822 2.926 298 HE1 TRP 36 HE1 TRP 36 -7.813 -5.955 5.194 299 HE3 TRP 36 HE3 TRP 36 -4.147 -2.156 4.366 300 HZ2 TRP 36 HZ2 TRP 36 -5.963 -5.745 7.308 301 HZ3 TRP 36 HZ3 TRP 36 -3.099 -2.688 6.526 302 HH2 TRP 36 HH2 TRP 36 -3.991 -4.443 7.966 303 H THR 37 H THR 37 -5.010 0.486 3.682 304 HA THR 37 HA THR 37 -3.142 0.634 1.479 305 HB THR 37 HB THR 37 -5.050 2.125 0.798 306 HG1 THR 37 HG1 THR 37 -3.066 2.587 -0.096 307 1HG2 THR 37 1HG2 THR 37 -4.087 3.733 3.175 308 2HG2 THR 37 3HG2 THR 37 -5.195 4.323 1.936 309 3HG2 THR 37 2HG2 THR 37 -5.673 2.986 2.982 310 H ARG 38 H ARG 38 -1.882 3.061 2.107 311 HA ARG 38 HA ARG 38 -0.582 2.321 4.589 312 1HB ARG 38 HB2 ARG 38 0.068 4.051 2.276 313 2HB ARG 38 HB3 ARG 38 0.716 4.566 3.820 314 1HG ARG 38 HG2 ARG 38 1.953 2.617 4.091 315 2HG ARG 38 HG3 ARG 38 1.092 1.796 2.789 316 1HD ARG 38 HD2 ARG 38 3.400 2.633 2.245 317 2HD ARG 38 HD3 ARG 38 2.144 3.099 1.134 318 HE ARG 38 HE ARG 38 2.267 5.312 2.035 319 1HH1 ARG 38 1HH1 ARG 38 4.709 3.119 3.202 320 2HH1 ARG 38 2HH1 ARG 38 5.814 4.375 3.647 321 1HH2 ARG 38 1HH2 ARG 38 3.737 6.979 2.601 322 2HH2 ARG 38 2HH2 ARG 38 5.261 6.566 3.309 323 H VAL 39 H VAL 39 -0.038 3.985 6.219 324 HA VAL 39 HA VAL 39 -2.425 5.314 7.091 325 HB VAL 39 HB VAL 39 0.347 5.430 8.287 326 1HG1 VAL 39 1HG1 VAL 39 -2.351 6.091 9.462 327 2HG1 VAL 39 3HG1 VAL 39 -0.829 6.059 10.352 328 3HG1 VAL 39 2HG1 VAL 39 -1.072 7.239 9.064 329 1HG2 VAL 39 1HG2 VAL 39 -0.776 3.139 8.022 330 2HG2 VAL 39 3HG2 VAL 39 -0.176 3.590 9.617 331 3HG2 VAL 39 2HG2 VAL 39 -1.899 3.701 9.260 332 H GLY 40 H GLY 40 -2.896 7.458 7.155 333 1HA GLY 40 HA3 GLY 40 -0.935 9.494 6.675 334 2HA GLY 40 HA2 GLY 40 -2.666 9.736 6.850 335 H PHE 41 H PHE 41 -2.957 7.596 4.661 336 HA PHE 41 HA PHE 41 -2.653 9.481 2.435 337 1HB PHE 41 HB2 PHE 41 -1.919 6.549 2.345 338 2HB PHE 41 HB3 PHE 41 -1.894 7.653 0.973 339 HD1 PHE 41 HD1 PHE 41 0.015 6.195 3.499 340 HD2 PHE 41 HD2 PHE 41 -0.466 9.833 1.362 341 HE1 PHE 41 HE1 PHE 41 2.305 6.854 4.119 342 HE2 PHE 41 HE2 PHE 41 1.824 10.504 1.967 343 HZ PHE 41 HZ PHE 41 3.212 9.012 3.352 344 H VAL 42 H VAL 42 -4.607 7.602 4.256 345 HA VAL 42 HA VAL 42 -6.380 6.230 2.772 346 HB VAL 42 HB VAL 42 -6.811 6.447 5.091 347 1HG1 VAL 42 1HG1 VAL 42 -5.843 8.660 5.425 348 2HG1 VAL 42 3HG1 VAL 42 -7.242 9.398 4.644 349 3HG1 VAL 42 2HG1 VAL 42 -7.435 8.543 6.174 350 1HG2 VAL 42 1HG2 VAL 42 -8.812 6.135 3.719 351 2HG2 VAL 42 3HG2 VAL 42 -9.170 7.048 5.185 352 3HG2 VAL 42 2HG2 VAL 42 -9.030 7.882 3.638 353 H GLY 43 H GLY 43 -7.090 6.682 0.777 354 1HA GLY 43 HA3 GLY 43 -8.426 9.277 0.358 355 2HA GLY 43 HA2 GLY 43 -8.810 7.794 -0.502 356 H LYS 44 H LYS 44 -5.669 9.321 0.124 357 HA LYS 44 HA LYS 44 -5.276 10.516 -2.347 358 1HB LYS 44 HB2 LYS 44 -3.160 9.258 -0.597 359 2HB LYS 44 HB3 LYS 44 -2.918 10.521 -1.789 360 1HG LYS 44 HG2 LYS 44 -4.333 12.029 -0.459 361 2HG LYS 44 HG3 LYS 44 -4.499 10.761 0.758 362 1HD LYS 44 HD2 LYS 44 -2.081 10.775 1.111 363 2HD LYS 44 HD3 LYS 44 -1.905 12.030 -0.118 364 1HE LYS 44 HE2 LYS 44 -1.850 12.987 2.122 365 2HE LYS 44 HE3 LYS 44 -3.263 13.547 1.228 366 1HZ LYS 44 HZ2 LYS 44 -4.605 11.914 2.404 367 2HZ LYS 44 HZ1 LYS 44 -3.249 11.384 3.264 368 3HZ LYS 44 HZ3 LYS 44 -3.837 12.955 3.494 369 H ASP 45 H ASP 45 -3.680 9.848 -4.029 370 HA ASP 45 HA ASP 45 -4.289 7.166 -4.916 371 1HB ASP 45 HB2 ASP 45 -2.899 9.517 -6.196 372 2HB ASP 45 HB3 ASP 45 -3.041 7.950 -6.976 373 H VAL 46 H VAL 46 -1.408 9.113 -4.205 374 HA VAL 46 HA VAL 46 0.222 6.675 -4.289 375 HB VAL 46 HB VAL 46 0.849 9.569 -4.635 376 1HG1 VAL 46 3HG1 VAL 46 2.827 7.520 -3.643 377 2HG1 VAL 46 2HG1 VAL 46 3.266 9.082 -4.336 378 3HG1 VAL 46 1HG1 VAL 46 2.344 9.012 -2.834 379 1HG2 VAL 46 1HG2 VAL 46 0.521 8.092 -6.559 380 2HG2 VAL 46 3HG2 VAL 46 2.169 8.718 -6.491 381 3HG2 VAL 46 2HG2 VAL 46 1.833 7.062 -5.983 382 H LEU 47 H LEU 47 1.214 5.873 -2.561 383 HA LEU 47 HA LEU 47 0.651 7.121 0.030 384 1HB LEU 47 HB2 LEU 47 1.760 4.378 -0.261 385 2HB LEU 47 HB3 LEU 47 0.702 5.019 0.978 386 HG LEU 47 HG LEU 47 -0.143 4.427 -1.859 387 1HD1 LEU 47 2HD1 LEU 47 -0.554 2.848 0.675 388 2HD1 LEU 47 1HD1 LEU 47 -1.355 2.522 -0.864 389 3HD1 LEU 47 3HD1 LEU 47 0.397 2.364 -0.730 390 1HD2 LEU 47 2HD2 LEU 47 -1.726 5.192 0.587 391 2HD2 LEU 47 1HD2 LEU 47 -1.469 6.178 -0.853 392 3HD2 LEU 47 3HD2 LEU 47 -2.415 4.692 -0.959 393 H SER 48 H SER 48 3.236 5.437 -1.710 394 HA SER 48 HA SER 48 5.354 5.803 -0.018 395 1HB SER 48 HB2 SER 48 6.764 5.493 -1.933 396 2HB SER 48 HB3 SER 48 5.317 4.522 -2.178 397 HG SER 48 HG SER 48 4.525 6.158 -3.538 398 H ASP 49 H ASP 49 7.338 7.245 -0.641 399 HA ASP 49 HA ASP 49 6.671 9.915 -1.511 400 1HB ASP 49 HB2 ASP 49 7.323 9.323 1.371 401 2HB ASP 49 HB3 ASP 49 7.592 10.911 0.657 402 H GLU 50 H GLU 50 9.190 9.175 0.801 403 HA GLU 50 HA GLU 50 11.191 9.240 -1.350 404 1HB GLU 50 HB2 GLU 50 12.583 10.699 -0.001 405 2HB GLU 50 HB3 GLU 50 11.005 11.437 -0.250 406 1HG GLU 50 HG2 GLU 50 10.311 10.771 1.974 407 2HG GLU 50 HG3 GLU 50 11.866 9.981 2.237 408 H ILE 51 H ILE 51 10.260 8.187 1.842 409 HA ILE 51 HA ILE 51 12.667 6.807 2.479 410 HB ILE 51 HB ILE 51 9.908 6.276 3.576 411 1HG1 ILE 51 2HG1 ILE 51 10.525 8.686 3.663 412 2HG1 ILE 51 3HG1 ILE 51 10.340 7.949 5.247 413 1HG2 ILE 51 1HG2 ILE 51 12.672 5.788 4.668 414 2HG2 ILE 51 3HG2 ILE 51 11.187 5.618 5.604 415 3HG2 ILE 51 2HG2 ILE 51 11.473 4.579 4.209 416 1HD1 ILE 51 2HD1 ILE 51 12.964 8.449 3.864 417 2HD1 ILE 51 1HD1 ILE 51 12.264 9.460 5.130 418 3HD1 ILE 51 3HD1 ILE 51 12.743 7.801 5.490 419 H LEU 52 H LEU 52 9.461 5.352 2.086 420 HA LEU 52 HA LEU 52 10.744 3.059 0.762 421 1HB LEU 52 HB2 LEU 52 8.349 3.359 2.509 422 2HB LEU 52 HB3 LEU 52 8.350 2.074 1.319 423 HG LEU 52 HG LEU 52 10.494 2.428 3.403 424 1HD1 LEU 52 2HD1 LEU 52 8.092 0.611 3.411 425 2HD1 LEU 52 1HD1 LEU 52 9.421 0.556 4.569 426 3HD1 LEU 52 3HD1 LEU 52 8.376 1.974 4.493 427 1HD2 LEU 52 3HD2 LEU 52 11.147 1.207 1.365 428 2HD2 LEU 52 2HD2 LEU 52 11.142 0.182 2.800 429 3HD2 LEU 52 1HD2 LEU 52 9.817 0.082 1.640 430 H GLU 53 H GLU 53 10.515 2.946 -1.382 431 HA GLU 53 HA GLU 53 8.589 4.465 -2.819 432 1HB GLU 53 HB2 GLU 53 10.782 2.628 -3.438 433 2HB GLU 53 HB3 GLU 53 9.434 2.491 -4.558 434 1HG GLU 53 HG2 GLU 53 10.274 5.227 -3.941 435 2HG GLU 53 HG3 GLU 53 11.461 4.249 -4.798 436 H VAL 54 H VAL 54 6.803 3.621 -1.422 437 HA VAL 54 HA VAL 54 5.887 0.945 -1.812 438 HB VAL 54 HB VAL 54 4.266 3.235 -0.727 439 1HG1 VAL 54 1HG1 VAL 54 3.034 1.201 -1.217 440 2HG1 VAL 54 3HG1 VAL 54 4.179 0.260 -0.261 441 3HG1 VAL 54 2HG1 VAL 54 3.144 1.450 0.526 442 1HG2 VAL 54 3HG2 VAL 54 6.395 1.595 0.607 443 2HG2 VAL 54 2HG2 VAL 54 6.211 3.347 0.573 444 3HG2 VAL 54 1HG2 VAL 54 5.097 2.362 1.522 445 H VAL 55 H VAL 55 5.736 0.853 -4.126 446 HA VAL 55 HA VAL 55 3.734 2.478 -5.433 447 HB VAL 55 HB VAL 55 5.061 0.028 -6.558 448 1HG1 VAL 55 2HG1 VAL 55 3.045 1.053 -7.670 449 2HG1 VAL 55 1HG1 VAL 55 4.045 2.471 -7.983 450 3HG1 VAL 55 3HG1 VAL 55 4.486 0.910 -8.679 451 1HG2 VAL 55 3HG2 VAL 55 6.070 2.871 -6.613 452 2HG2 VAL 55 2HG2 VAL 55 6.817 1.514 -5.771 453 3HG2 VAL 55 1HG2 VAL 55 6.753 1.529 -7.533 454 H CYS 56 H CYS 56 1.901 1.962 -4.291 455 HA CYS 56 HA CYS 56 0.990 -0.811 -4.255 456 1HB CYS 56 HB2 CYS 56 0.800 0.359 -2.152 457 2HB CYS 56 HB3 CYS 56 -0.088 1.673 -2.915 458 HG CYS 56 HG CYS 56 -1.645 -0.174 -1.239 459 H LYS 57 H LYS 57 -1.018 -1.448 -5.050 460 HA LYS 57 HA LYS 57 -2.414 0.421 -6.811 461 1HB LYS 57 HB2 LYS 57 -1.667 -2.366 -7.679 462 2HB LYS 57 HB3 LYS 57 -2.482 -1.145 -8.637 463 1HG LYS 57 HG2 LYS 57 -0.468 0.237 -8.596 464 2HG LYS 57 HG3 LYS 57 0.355 -0.996 -7.639 465 1HD LYS 57 HD2 LYS 57 0.067 -2.602 -9.465 466 2HD LYS 57 HD3 LYS 57 -0.751 -1.366 -10.422 467 1HE LYS 57 HE2 LYS 57 2.096 -1.246 -9.435 468 2HE LYS 57 HE3 LYS 57 1.588 -1.604 -11.085 469 1HZ LYS 57 HZ2 LYS 57 0.608 0.602 -11.221 470 2HZ LYS 57 HZ1 LYS 57 1.101 0.945 -9.640 471 3HZ LYS 57 HZ3 LYS 57 2.256 0.700 -10.853 472 H TYR 58 H TYR 58 -4.436 0.434 -6.252 473 HA TYR 58 HA TYR 58 -5.623 -1.874 -4.903 474 1HB TYR 58 HB2 TYR 58 -5.731 0.598 -4.057 475 2HB TYR 58 HB3 TYR 58 -6.977 0.789 -5.285 476 HD1 TYR 58 HD1 TYR 58 -6.557 0.345 -1.920 477 HD2 TYR 58 HD2 TYR 58 -8.690 -1.386 -5.193 478 HE1 TYR 58 HE1 TYR 58 -8.251 -0.541 -0.368 479 HE2 TYR 58 HE2 TYR 58 -10.375 -2.273 -3.641 480 HH TYR 58 HH TYR 58 -10.552 -2.859 -1.257 481 H THR 59 H THR 59 -6.295 -3.309 -6.416 482 HA THR 59 HA THR 59 -7.792 -2.294 -8.743 483 HB THR 59 HB THR 59 -6.533 -5.027 -8.396 484 HG1 THR 59 HG1 THR 59 -4.757 -3.904 -8.758 485 1HG2 THR 59 3HG2 THR 59 -7.648 -3.619 -10.831 486 2HG2 THR 59 2HG2 THR 59 -6.848 -5.190 -10.831 487 3HG2 THR 59 1HG2 THR 59 -8.384 -4.983 -9.991 488 HA PRO 60 HA PRO 60 -11.142 -4.358 -6.434 489 1HB PRO 60 HB2 PRO 60 -12.998 -2.494 -6.836 490 2HB PRO 60 HB3 PRO 60 -11.722 -2.251 -5.641 491 1HG PRO 60 HG2 PRO 60 -11.958 -1.172 -8.423 492 2HG PRO 60 HG3 PRO 60 -11.427 -0.347 -6.949 493 1HD PRO 60 HD2 PRO 60 -9.758 -1.394 -8.853 494 2HD PRO 60 HD3 PRO 60 -9.297 -1.103 -7.167 495 H THR 61 H THR 61 -13.587 -4.551 -7.298 496 HA THR 61 HA THR 61 -13.375 -5.839 -9.853 497 HB THR 61 HB THR 61 -16.089 -5.406 -8.793 498 HG1 THR 61 HG1 THR 61 -14.759 -5.581 -6.859 499 1HG2 THR 61 1HG2 THR 61 -14.495 -7.852 -9.563 500 2HG2 THR 61 3HG2 THR 61 -16.204 -7.853 -9.130 501 3HG2 THR 61 2HG2 THR 61 -15.660 -6.997 -10.573 502 HA PRO 62 HA PRO 62 -14.496 -2.428 -12.446 503 1HB PRO 62 HB2 PRO 62 -15.793 -4.420 -14.200 504 2HB PRO 62 HB3 PRO 62 -14.462 -3.313 -14.548 505 1HG PRO 62 HG2 PRO 62 -14.047 -5.942 -14.259 506 2HG PRO 62 HG3 PRO 62 -12.867 -4.749 -13.685 507 1HD PRO 62 HD2 PRO 62 -14.885 -6.321 -12.127 508 2HD PRO 62 HD3 PRO 62 -13.202 -5.922 -11.717 509 H SER 63 H SER 63 -16.127 -1.088 -12.025 510 HA SER 63 HA SER 63 -18.848 -2.199 -11.814 511 1HB SER 63 HB2 SER 63 -17.948 -1.183 -9.722 512 2HB SER 63 HB3 SER 63 -17.798 0.355 -10.573 513 HG SER 63 HG SER 63 -19.998 0.460 -10.765 514 H SER 64 H SER 64 -20.480 -0.200 -12.135 515 HA SER 64 HA SER 64 -20.292 0.444 -14.899 516 1HB SER 64 HB2 SER 64 -22.458 0.044 -13.828 517 2HB SER 64 HB3 SER 64 -22.221 1.451 -12.792 518 HG SER 64 HG SER 64 -23.070 1.316 -15.383 519 H THR 65 H THR 65 -20.681 2.668 -12.134 520 HA THR 65 HA THR 65 -19.267 4.709 -13.673 521 HB THR 65 HB THR 65 -20.901 5.048 -11.158 522 HG1 THR 65 HG1 THR 65 -22.388 6.028 -12.696 523 1HG2 THR 65 1HG2 THR 65 -19.731 7.089 -13.054 524 2HG2 THR 65 3HG2 THR 65 -20.804 7.444 -11.700 525 3HG2 THR 65 2HG2 THR 65 -19.198 6.780 -11.401 526 HA PRO 66 HA PRO 66 -16.924 4.719 -9.432 527 1HB PRO 66 HB2 PRO 66 -17.571 2.123 -8.232 528 2HB PRO 66 HB3 PRO 66 -17.645 3.735 -7.516 529 1HG PRO 66 HG2 PRO 66 -19.870 2.338 -8.097 530 2HG PRO 66 HG3 PRO 66 -19.804 4.105 -8.247 531 1HD PRO 66 HD2 PRO 66 -19.564 2.013 -10.387 532 2HD PRO 66 HD3 PRO 66 -20.491 3.529 -10.404 533 H MET 67 H MET 67 -14.861 3.858 -8.965 534 HA MET 67 HA MET 67 -14.066 1.363 -10.235 535 1HB MET 67 HB2 MET 67 -12.884 4.042 -10.993 536 2HB MET 67 HB3 MET 67 -12.136 2.498 -11.377 537 1HG MET 67 HG2 MET 67 -14.850 3.403 -12.312 538 2HG MET 67 HG3 MET 67 -13.370 3.435 -13.268 539 1HE MET 67 HE3 MET 67 -16.063 2.037 -14.243 540 2HE MET 67 HE2 MET 67 -14.581 2.063 -15.199 541 3HE MET 67 HE1 MET 67 -15.428 0.540 -14.929 542 H VAL 68 H VAL 68 -14.237 2.909 -7.582 543 HA VAL 68 HA VAL 68 -11.589 2.096 -6.616 544 HB VAL 68 HB VAL 68 -12.956 4.728 -6.079 545 1HG1 VAL 68 3HG1 VAL 68 -10.600 3.502 -4.644 546 2HG1 VAL 68 2HG1 VAL 68 -11.110 5.183 -4.489 547 3HG1 VAL 68 1HG1 VAL 68 -12.176 3.885 -3.951 548 1HG2 VAL 68 1HG2 VAL 68 -10.227 4.043 -7.163 549 2HG2 VAL 68 3HG2 VAL 68 -11.594 4.666 -8.087 550 3HG2 VAL 68 2HG2 VAL 68 -10.829 5.673 -6.857 551 H GLY 69 H GLY 69 -11.629 0.993 -4.734 552 1HA GLY 69 HA3 GLY 69 -13.524 1.315 -2.680 553 2HA GLY 69 HA2 GLY 69 -12.450 -0.063 -2.868 554 H VAL 70 H VAL 70 -13.264 -1.241 -5.144 555 HA VAL 70 HA VAL 70 -16.123 -1.807 -4.708 556 HB VAL 70 HB VAL 70 -14.814 -2.712 -7.213 557 1HG1 VAL 70 2HG1 VAL 70 -17.153 -3.206 -6.774 558 2HG1 VAL 70 1HG1 VAL 70 -17.498 -1.486 -6.592 559 3HG1 VAL 70 3HG1 VAL 70 -16.996 -2.124 -8.158 560 1HG2 VAL 70 1HG2 VAL 70 -15.436 0.181 -6.650 561 2HG2 VAL 70 3HG2 VAL 70 -13.884 -0.515 -7.123 562 3HG2 VAL 70 2HG2 VAL 70 -15.226 -0.486 -8.269 563 H GLY 71 H GLY 71 -13.326 -2.958 -3.756 564 1HA GLY 71 HA3 GLY 71 -14.304 -5.682 -3.574 565 2HA GLY 71 HA2 GLY 71 -12.886 -5.026 -2.771 566 H GLY 72 H GLY 72 -10.958 -5.664 -3.508 567 1HA GLY 72 HA3 GLY 72 -10.179 -5.843 -6.155 568 2HA GLY 72 HA2 GLY 72 -10.782 -7.430 -5.733 569 H ILE 73 H ILE 73 -8.075 -5.679 -6.022 570 HA ILE 73 HA ILE 73 -6.644 -7.303 -4.028 571 HB ILE 73 HB ILE 73 -5.972 -6.579 -6.825 572 1HG1 ILE 73 2HG1 ILE 73 -6.841 -8.834 -5.941 573 2HG1 ILE 73 3HG1 ILE 73 -5.482 -8.842 -7.064 574 1HG2 ILE 73 3HG2 ILE 73 -3.872 -7.097 -4.735 575 2HG2 ILE 73 2HG2 ILE 73 -3.594 -7.070 -6.475 576 3HG2 ILE 73 1HG2 ILE 73 -4.105 -5.602 -5.644 577 1HD1 ILE 73 2HD1 ILE 73 -5.196 -8.994 -4.066 578 2HD1 ILE 73 1HD1 ILE 73 -5.225 -10.396 -5.139 579 3HD1 ILE 73 3HD1 ILE 73 -3.927 -9.208 -5.275 580 H TYR 74 H TYR 74 -4.849 -6.476 -3.081 581 HA TYR 74 HA TYR 74 -4.491 -3.565 -3.125 582 1HB TYR 74 HB2 TYR 74 -4.139 -5.039 -0.540 583 2HB TYR 74 HB3 TYR 74 -4.556 -3.354 -0.812 584 HD1 TYR 74 HD1 TYR 74 -5.802 -5.877 0.847 585 HD2 TYR 74 HD2 TYR 74 -6.921 -3.541 -2.520 586 HE1 TYR 74 HE1 TYR 74 -8.159 -6.368 1.294 587 HE2 TYR 74 HE2 TYR 74 -9.280 -4.034 -2.082 588 HH TYR 74 HH TYR 74 -10.369 -5.407 0.820 589 H VAL 75 H VAL 75 -2.877 -4.495 -4.677 590 HA VAL 75 HA VAL 75 -0.667 -5.967 -3.564 591 HB VAL 75 HB VAL 75 -1.159 -6.539 -5.797 592 1HG1 VAL 75 3HG1 VAL 75 -1.013 -3.605 -6.450 593 2HG1 VAL 75 2HG1 VAL 75 -1.175 -4.899 -7.637 594 3HG1 VAL 75 1HG1 VAL 75 -2.456 -4.620 -6.456 595 1HG2 VAL 75 3HG2 VAL 75 1.249 -6.293 -5.238 596 2HG2 VAL 75 2HG2 VAL 75 0.897 -6.124 -6.957 597 3HG2 VAL 75 1HG2 VAL 75 1.215 -4.693 -5.977 598 H VAL 76 H VAL 76 0.632 -4.955 -2.262 599 HA VAL 76 HA VAL 76 1.411 -2.186 -2.818 600 HB VAL 76 HB VAL 76 1.801 -3.856 -0.331 601 1HG1 VAL 76 1HG1 VAL 76 2.445 -0.969 -0.910 602 2HG1 VAL 76 3HG1 VAL 76 2.438 -1.684 0.702 603 3HG1 VAL 76 2HG1 VAL 76 3.582 -2.259 -0.511 604 1HG2 VAL 76 2HG2 VAL 76 -0.540 -3.260 -0.755 605 2HG2 VAL 76 1HG2 VAL 76 0.100 -2.420 0.657 606 3HG2 VAL 76 3HG2 VAL 76 -0.082 -1.561 -0.871 607 H LEU 77 H LEU 77 3.350 -1.741 -3.643 608 HA LEU 77 HA LEU 77 5.439 -3.809 -3.525 609 1HB LEU 77 HB2 LEU 77 5.039 -1.532 -5.461 610 2HB LEU 77 HB3 LEU 77 6.465 -2.555 -5.437 611 HG LEU 77 HG LEU 77 3.628 -3.435 -6.029 612 1HD1 LEU 77 2HD1 LEU 77 4.651 -2.172 -7.842 613 2HD1 LEU 77 1HD1 LEU 77 6.061 -3.229 -7.795 614 3HD1 LEU 77 3HD1 LEU 77 4.492 -3.875 -8.272 615 1HD2 LEU 77 1HD2 LEU 77 5.239 -5.049 -4.789 616 2HD2 LEU 77 3HD2 LEU 77 4.351 -5.620 -6.203 617 3HD2 LEU 77 2HD2 LEU 77 6.045 -5.159 -6.355 618 H VAL 78 H VAL 78 6.481 -3.342 -1.655 619 HA VAL 78 HA VAL 78 7.202 -0.561 -1.125 620 HB VAL 78 HB VAL 78 8.233 -2.352 0.853 621 1HG1 VAL 78 3HG1 VAL 78 6.022 -0.286 0.891 622 2HG1 VAL 78 2HG1 VAL 78 6.740 -1.025 2.325 623 3HG1 VAL 78 1HG1 VAL 78 7.727 -0.017 1.266 624 1HG2 VAL 78 2HG2 VAL 78 6.558 -3.937 0.091 625 2HG2 VAL 78 1HG2 VAL 78 6.137 -3.304 1.681 626 3HG2 VAL 78 3HG2 VAL 78 5.305 -2.707 0.247 627 H LYS 79 H LYS 79 8.939 0.084 -2.185 628 HA LYS 79 HA LYS 79 11.258 -1.713 -2.357 629 1HB LYS 79 HB2 LYS 79 10.232 0.487 -4.095 630 2HB LYS 79 HB3 LYS 79 11.958 0.153 -4.080 631 1HG LYS 79 HG2 LYS 79 11.518 -2.163 -4.709 632 2HG LYS 79 HG3 LYS 79 9.777 -1.823 -4.748 633 1HD LYS 79 HD2 LYS 79 11.846 -0.430 -6.454 634 2HD LYS 79 HD3 LYS 79 10.845 -1.781 -6.991 635 1HE LYS 79 HE2 LYS 79 8.832 -0.454 -6.578 636 2HE LYS 79 HE3 LYS 79 9.832 0.896 -6.041 637 1HZ LYS 79 HZ1 LYS 79 9.858 -0.292 -8.762 638 2HZ LYS 79 HZ3 LYS 79 9.126 1.171 -8.333 639 3HZ LYS 79 HZ2 LYS 79 10.806 1.009 -8.246 640 HA PRO 80 HA PRO 80 12.820 0.963 0.964 641 1HB PRO 80 HB2 PRO 80 15.225 -0.688 0.409 642 2HB PRO 80 HB3 PRO 80 14.429 -0.333 1.945 643 1HG PRO 80 HG2 PRO 80 14.188 -2.721 0.769 644 2HG PRO 80 HG3 PRO 80 12.850 -1.984 1.667 645 1HD PRO 80 HD2 PRO 80 13.234 -2.256 -1.274 646 2HD PRO 80 HD3 PRO 80 11.738 -2.271 -0.318 647 H ARG 81 H ARG 81 12.972 2.900 -0.141 648 HA ARG 81 HA ARG 81 14.797 3.380 -2.252 649 1HB ARG 81 HB2 ARG 81 12.741 4.806 -0.874 650 2HB ARG 81 HB3 ARG 81 14.172 5.824 -0.959 651 1HG ARG 81 HG2 ARG 81 14.237 5.553 -3.371 652 2HG ARG 81 HG3 ARG 81 12.843 4.473 -3.296 653 1HD ARG 81 HD2 ARG 81 11.471 6.271 -2.409 654 2HD ARG 81 HD3 ARG 81 12.861 7.357 -2.417 655 HE ARG 81 HE ARG 81 12.224 6.214 -4.987 656 1HH1 ARG 81 1HH1 ARG 81 11.665 8.850 -2.779 657 2HH1 ARG 81 2HH1 ARG 81 11.142 9.945 -4.015 658 1HH2 ARG 81 1HH2 ARG 81 11.538 7.648 -6.621 659 2HH2 ARG 81 2HH2 ARG 81 11.070 9.261 -6.199 660 H LYS 82 H LYS 82 14.850 4.240 1.202 661 HA LYS 82 HA LYS 82 17.693 4.938 0.916 662 1HB LYS 82 HB2 LYS 82 15.817 5.654 3.174 663 2HB LYS 82 HB3 LYS 82 17.455 6.246 2.944 664 1HG LYS 82 HG2 LYS 82 16.718 7.338 0.847 665 2HG LYS 82 HG3 LYS 82 15.067 6.826 1.208 666 1HD LYS 82 HD2 LYS 82 15.120 8.097 3.293 667 2HD LYS 82 HD3 LYS 82 16.776 8.600 2.948 668 1HE LYS 82 HE2 LYS 82 14.353 9.235 1.270 669 2HE LYS 82 HE3 LYS 82 15.163 10.348 2.371 670 1HZ LYS 82 HZ1 LYS 82 17.159 10.174 1.021 671 2HZ LYS 82 HZ3 LYS 82 16.381 9.107 -0.037 672 3HZ LYS 82 HZ2 LYS 82 15.854 10.709 0.088 673 H ARG 83 H ARG 83 19.124 4.362 2.713 674 HA ARG 83 HA ARG 83 18.504 1.681 3.709 675 1HB ARG 83 HB2 ARG 83 21.159 3.087 3.892 676 2HB ARG 83 HB3 ARG 83 20.836 1.359 3.935 677 1HG ARG 83 HG2 ARG 83 20.436 1.257 1.636 678 2HG ARG 83 HG3 ARG 83 20.233 3.006 1.506 679 1HD ARG 83 HD2 ARG 83 22.787 1.507 2.049 680 2HD ARG 83 HD3 ARG 83 22.363 2.395 0.587 681 HE ARG 83 HE ARG 83 22.236 4.158 2.752 682 1HH1 ARG 83 1HH1 ARG 83 24.599 2.326 0.961 683 2HH1 ARG 83 2HH1 ARG 83 25.885 3.444 1.265 684 1HH2 ARG 83 1HH2 ARG 83 23.924 5.634 3.158 685 2HH2 ARG 83 2HH2 ARG 83 25.502 5.324 2.515 686 H GLY 84 H GLY 84 17.663 1.560 5.691 687 1HA GLY 84 HA3 GLY 84 17.877 3.711 7.575 688 2HA GLY 84 HA2 GLY 84 18.873 2.334 8.021 689 H HIS 85 H HIS 85 16.131 3.709 8.828 690 HA HIS 85 HA HIS 85 14.821 1.144 9.413 691 1HB HIS 85 HB2 HIS 85 14.576 3.801 10.837 692 2HB HIS 85 HB3 HIS 85 13.745 2.318 11.295 693 HD1 HIS 85 HD1 HIS 85 16.972 4.086 11.601 694 HD2 HIS 85 HD2 HIS 85 15.446 0.304 12.398 695 HE1 HIS 85 HE1 HIS 85 18.667 2.977 13.092 696 HE2 HIS 85 HE2 HIS 85 17.764 0.658 13.489 697 H HIS 86 H HIS 86 13.444 0.819 7.745 698 HA HIS 86 HA HIS 86 11.531 2.970 7.115 699 1HB HIS 86 HB2 HIS 86 12.428 0.609 5.447 700 2HB HIS 86 HB3 HIS 86 11.150 1.729 4.984 701 HD1 HIS 86 HD1 HIS 86 14.078 3.256 6.628 702 HD2 HIS 86 HD2 HIS 86 12.795 2.443 2.762 703 HE1 HIS 86 HE1 HIS 86 15.549 4.636 5.130 704 HE2 HIS 86 HE2 HIS 86 14.693 4.199 2.801 705 H THR 87 H THR 87 9.309 2.220 6.543 706 HA THR 87 HA THR 87 8.479 -0.355 7.530 707 HB THR 87 HB THR 87 7.662 2.132 9.039 708 HG1 THR 87 HG1 THR 87 9.106 -0.201 9.822 709 1HG2 THR 87 1HG2 THR 87 6.703 -0.722 9.271 710 2HG2 THR 87 3HG2 THR 87 6.361 0.550 10.446 711 3HG2 THR 87 2HG2 THR 87 5.744 0.687 8.797 712 H LEU 88 H LEU 88 6.365 -0.900 6.996 713 HA LEU 88 HA LEU 88 4.933 1.024 5.291 714 1HB LEU 88 HB2 LEU 88 5.846 -0.674 3.869 715 2HB LEU 88 HB3 LEU 88 5.297 -1.947 4.938 716 HG LEU 88 HG LEU 88 2.922 -1.173 4.394 717 1HD1 LEU 88 2HD1 LEU 88 3.533 1.007 3.483 718 2HD1 LEU 88 1HD1 LEU 88 4.387 0.214 2.159 719 3HD1 LEU 88 3HD1 LEU 88 2.638 0.041 2.309 720 1HD2 LEU 88 3HD2 LEU 88 4.128 -3.192 3.463 721 2HD2 LEU 88 2HD2 LEU 88 2.794 -2.562 2.497 722 3HD2 LEU 88 1HD2 LEU 88 4.458 -2.214 2.036 723 H GLU 89 H GLU 89 3.811 1.621 7.233 724 HA GLU 89 HA GLU 89 2.237 -0.325 8.633 725 1HB GLU 89 HB2 GLU 89 1.175 2.069 9.376 726 2HB GLU 89 HB3 GLU 89 2.563 1.307 10.142 727 1HG GLU 89 HG2 GLU 89 4.081 2.606 8.855 728 2HG GLU 89 HG3 GLU 89 2.774 3.224 7.852 729 H LEU 90 H LEU 90 0.753 -1.284 7.416 730 HA LEU 90 HA LEU 90 -1.069 0.353 5.814 731 1HB LEU 90 HB2 LEU 90 -0.644 -2.633 5.930 732 2HB LEU 90 HB3 LEU 90 -1.883 -1.860 4.960 733 HG LEU 90 HG LEU 90 1.102 -1.544 4.627 734 1HD1 LEU 90 2HD1 LEU 90 -0.989 -2.884 2.920 735 2HD1 LEU 90 1HD1 LEU 90 0.699 -2.647 2.467 736 3HD1 LEU 90 3HD1 LEU 90 0.290 -3.682 3.835 737 1HD2 LEU 90 1HD2 LEU 90 -1.169 -0.296 3.086 738 2HD2 LEU 90 3HD2 LEU 90 -0.013 0.547 4.118 739 3HD2 LEU 90 2HD2 LEU 90 0.534 -0.228 2.632 740 H VAL 91 H VAL 91 -3.239 0.464 6.207 741 HA VAL 91 HA VAL 91 -4.308 -1.027 8.494 742 HB VAL 91 HB VAL 91 -5.530 1.350 8.895 743 1HG1 VAL 91 3HG1 VAL 91 -3.006 0.262 10.102 744 2HG1 VAL 91 2HG1 VAL 91 -3.835 1.679 10.746 745 3HG1 VAL 91 1HG1 VAL 91 -4.661 0.121 10.696 746 1HG2 VAL 91 3HG2 VAL 91 -4.195 2.516 7.220 747 2HG2 VAL 91 2HG2 VAL 91 -3.863 3.139 8.836 748 3HG2 VAL 91 1HG2 VAL 91 -2.713 2.049 8.059 749 H TYR 92 H TYR 92 -6.666 -0.841 8.671 750 HA TYR 92 HA TYR 92 -7.943 -0.702 6.037 751 1HB TYR 92 HB2 TYR 92 -8.096 -2.676 7.835 752 2HB TYR 92 HB3 TYR 92 -9.381 -1.663 8.477 753 HD1 TYR 92 HD1 TYR 92 -11.102 -3.290 8.073 754 HD2 TYR 92 HD2 TYR 92 -8.699 -1.864 4.863 755 HE1 TYR 92 HE1 TYR 92 -12.674 -4.279 6.463 756 HE2 TYR 92 HE2 TYR 92 -10.269 -2.845 3.246 757 HH TYR 92 HH TYR 92 -13.346 -3.968 4.116 758 H THR 93 H THR 93 -8.007 1.568 5.942 759 HA THR 93 HA THR 93 -9.454 3.022 8.024 760 HB THR 93 HB THR 93 -7.350 3.968 7.300 761 HG1 THR 93 HG1 THR 93 -8.216 6.053 6.533 762 1HG2 THR 93 1HG2 THR 93 -7.345 2.989 5.031 763 2HG2 THR 93 3HG2 THR 93 -8.576 4.157 4.547 764 3HG2 THR 93 2HG2 THR 93 -6.971 4.712 5.026 765 H ARG 94 H ARG 94 -10.634 5.058 6.890 766 HA ARG 94 HA ARG 94 -12.563 3.931 4.970 767 1HB ARG 94 HB2 ARG 94 -13.080 6.066 7.047 768 2HB ARG 94 HB3 ARG 94 -14.265 5.360 5.957 769 1HG ARG 94 HG2 ARG 94 -13.967 3.190 7.041 770 2HG ARG 94 HG3 ARG 94 -12.792 3.910 8.144 771 1HD ARG 94 HD2 ARG 94 -14.960 3.746 9.217 772 2HD ARG 94 HD3 ARG 94 -14.526 5.437 8.972 773 HE ARG 94 HE ARG 94 -16.008 4.802 6.777 774 1HH1 ARG 94 1HH1 ARG 94 -16.522 4.614 10.218 775 2HH1 ARG 94 2HH1 ARG 94 -18.234 4.847 10.106 776 1HH2 ARG 94 1HH2 ARG 94 -18.262 5.107 6.619 777 2HH2 ARG 94 2HH2 ARG 94 -19.223 5.126 8.060 778 HA PRO 95 HA PRO 95 -10.430 6.941 2.276 779 1HB PRO 95 HB2 PRO 95 -12.946 6.226 0.815 780 2HB PRO 95 HB3 PRO 95 -11.304 6.426 0.191 781 1HG PRO 95 HG2 PRO 95 -12.335 3.997 0.653 782 2HG PRO 95 HG3 PRO 95 -10.622 4.351 0.938 783 1HD PRO 95 HD2 PRO 95 -12.788 3.871 2.882 784 2HD PRO 95 HD3 PRO 95 -11.035 3.709 3.083 785 H PHE 96 H PHE 96 -13.864 6.973 3.174 786 HA PHE 96 HA PHE 96 -14.105 9.772 2.494 787 1HB PHE 96 HB2 PHE 96 -16.438 9.088 3.739 788 2HB PHE 96 HB3 PHE 96 -16.141 8.962 2.013 789 HD1 PHE 96 HD1 PHE 96 -16.246 7.096 5.183 790 HD2 PHE 96 HD2 PHE 96 -15.983 6.855 0.943 791 HE1 PHE 96 HE1 PHE 96 -16.662 4.673 5.298 792 HE2 PHE 96 HE2 PHE 96 -16.399 4.433 1.050 793 HZ PHE 96 HZ PHE 96 -16.739 3.340 3.230 794 H GLU 97 H GLU 97 -14.311 7.763 5.434 795 HA GLU 97 HA GLU 97 -14.561 10.112 7.104 796 1HB GLU 97 HB2 GLU 97 -14.301 7.187 7.806 797 2HB GLU 97 HB3 GLU 97 -14.543 8.472 8.981 798 1HG GLU 97 HG2 GLU 97 -16.435 7.731 6.761 799 2HG GLU 97 HG3 GLU 97 -16.622 7.321 8.465 800 H GLY 98 H GLY 98 -12.457 7.406 7.893 801 1HA GLY 98 HA3 GLY 98 -10.463 9.111 8.977 802 2HA GLY 98 HA2 GLY 98 -9.953 8.514 7.406 803 H ILE 99 H ILE 99 -8.376 7.861 9.362 804 HA ILE 99 HA ILE 99 -8.799 4.989 9.599 805 HB ILE 99 HB ILE 99 -6.315 6.340 10.524 806 1HG1 ILE 99 2HG1 ILE 99 -6.578 5.631 7.633 807 2HG1 ILE 99 3HG1 ILE 99 -7.180 7.195 8.177 808 1HG2 ILE 99 2HG2 ILE 99 -7.017 3.717 9.222 809 2HG2 ILE 99 1HG2 ILE 99 -5.350 4.257 9.448 810 3HG2 ILE 99 3HG2 ILE 99 -6.390 3.993 10.848 811 1HD1 ILE 99 3HD1 ILE 99 -4.948 7.692 9.080 812 2HD1 ILE 99 2HD1 ILE 99 -4.373 6.148 8.451 813 3HD1 ILE 99 1HD1 ILE 99 -4.932 7.399 7.340 814 H LYS 100 H LYS 100 -8.445 3.877 11.593 815 HA LYS 100 HA LYS 100 -8.503 5.463 14.041 816 1HB LYS 100 HB2 LYS 100 -10.630 3.458 13.291 817 2HB LYS 100 HB3 LYS 100 -10.451 4.169 14.877 818 1HG LYS 100 HG2 LYS 100 -10.981 6.342 14.047 819 2HG LYS 100 HG3 LYS 100 -10.920 5.772 12.377 820 1HD LYS 100 HD2 LYS 100 -12.755 4.101 13.661 821 2HD LYS 100 HD3 LYS 100 -13.111 5.727 14.251 822 1HE LYS 100 HE2 LYS 100 -12.876 4.918 11.356 823 2HE LYS 100 HE3 LYS 100 -14.388 5.184 12.225 824 1HZ LYS 100 HZ2 LYS 100 -12.291 7.233 11.749 825 2HZ LYS 100 HZ1 LYS 100 -13.757 7.115 10.915 826 3HZ LYS 100 HZ3 LYS 100 -13.749 7.485 12.567 827 HA PRO 101 HA PRO 101 -6.128 2.281 15.931 828 1HB PRO 101 HB2 PRO 101 -8.174 1.976 18.057 829 2HB PRO 101 HB3 PRO 101 -6.467 2.406 18.193 830 1HG PRO 101 HG2 PRO 101 -8.380 4.241 18.532 831 2HG PRO 101 HG3 PRO 101 -6.857 4.641 17.721 832 1HD PRO 101 HD2 PRO 101 -9.556 4.102 16.543 833 2HD PRO 101 HD3 PRO 101 -8.338 5.305 16.073 834 H GLU 102 H GLU 102 -9.605 1.578 16.115 835 HA GLU 102 HA GLU 102 -9.413 -1.198 16.315 836 1HB GLU 102 HB2 GLU 102 -11.765 -1.198 15.456 837 2HB GLU 102 HB3 GLU 102 -11.481 -0.145 16.838 838 1HG GLU 102 HG2 GLU 102 -11.316 1.766 15.342 839 2HG GLU 102 HG3 GLU 102 -11.616 0.712 13.965 840 H ASN 103 H ASN 103 -9.129 0.908 13.573 841 HA ASN 103 HA ASN 103 -9.740 -0.721 11.443 842 1HB ASN 103 HB2 ASN 103 -7.483 1.262 11.714 843 2HB ASN 103 HB3 ASN 103 -7.957 0.526 10.189 844 1HD2 ASN 103 1HD2 ASN 103 -10.473 1.150 12.428 845 2HD2 ASN 103 2HD2 ASN 103 -11.115 2.552 11.654 846 H GLU 104 H GLU 104 -8.866 -2.445 10.439 847 HA GLU 104 HA GLU 104 -7.201 -4.212 11.705 848 1HB GLU 104 HB2 GLU 104 -8.640 -4.401 9.512 849 2HB GLU 104 HB3 GLU 104 -7.117 -4.035 8.719 850 1HG GLU 104 HG2 GLU 104 -6.115 -5.989 9.478 851 2HG GLU 104 HG3 GLU 104 -7.329 -6.232 10.732 852 H ARG 105 H ARG 105 -5.005 -4.817 11.385 853 HA ARG 105 HA ARG 105 -3.312 -2.554 10.550 854 1HB ARG 105 HB2 ARG 105 -3.368 -3.090 13.023 855 2HB ARG 105 HB3 ARG 105 -2.593 -4.615 12.631 856 1HG ARG 105 HG2 ARG 105 -0.674 -3.518 12.982 857 2HG ARG 105 HG3 ARG 105 -0.969 -2.822 11.379 858 1HD ARG 105 HD2 ARG 105 -0.483 -1.065 12.965 859 2HD ARG 105 HD3 ARG 105 -2.152 -0.949 12.409 860 HE ARG 105 HE ARG 105 -2.224 -2.443 14.722 861 1HH1 ARG 105 1HH1 ARG 105 -1.216 0.764 13.804 862 2HH1 ARG 105 2HH1 ARG 105 -1.574 1.458 15.350 863 1HH2 ARG 105 1HH2 ARG 105 -2.700 -1.537 16.760 864 2HH2 ARG 105 2HH2 ARG 105 -2.417 0.150 17.030 865 H TYR 106 H TYR 106 -1.226 -3.059 9.742 866 HA TYR 106 HA TYR 106 -0.267 -5.626 9.167 867 1HB TYR 106 HB2 TYR 106 -2.211 -5.556 7.563 868 2HB TYR 106 HB3 TYR 106 -1.398 -4.229 6.733 869 HD1 TYR 106 HD1 TYR 106 -1.418 -7.805 7.426 870 HD2 TYR 106 HD2 TYR 106 0.629 -4.663 5.424 871 HE1 TYR 106 HE1 TYR 106 -0.180 -9.459 6.110 872 HE2 TYR 106 HE2 TYR 106 1.877 -6.311 4.099 873 HH TYR 106 HH TYR 106 2.550 -8.671 4.251 874 H THR 107 H THR 107 1.114 -3.978 10.336 875 HA THR 107 HA THR 107 2.445 -2.028 8.676 876 HB THR 107 HB THR 107 3.204 -2.862 11.474 877 HG1 THR 107 HG1 THR 107 0.981 -1.535 10.569 878 1HG2 THR 107 2HG2 THR 107 4.793 -1.448 10.178 879 2HG2 THR 107 1HG2 THR 107 3.530 -0.226 10.049 880 3HG2 THR 107 3HG2 THR 107 4.168 -0.668 11.632 881 H LEU 108 H LEU 108 3.641 -3.025 7.130 882 HA LEU 108 HA LEU 108 5.366 -5.246 7.734 883 1HB LEU 108 HB2 LEU 108 4.436 -5.269 5.574 884 2HB LEU 108 HB3 LEU 108 4.847 -3.597 5.280 885 HG LEU 108 HG LEU 108 7.214 -4.184 5.104 886 1HD1 LEU 108 2HD1 LEU 108 7.194 -6.073 6.679 887 2HD1 LEU 108 1HD1 LEU 108 6.319 -7.032 5.485 888 3HD1 LEU 108 3HD1 LEU 108 7.958 -6.482 5.143 889 1HD2 LEU 108 1HD2 LEU 108 5.755 -4.260 3.114 890 2HD2 LEU 108 3HD2 LEU 108 7.124 -5.366 3.013 891 3HD2 LEU 108 2HD2 LEU 108 5.518 -5.984 3.392 892 H HIS 109 H HIS 109 6.850 -4.540 9.244 893 HA HIS 109 HA HIS 109 8.420 -2.168 8.796 894 1HB HIS 109 HB2 HIS 109 8.349 -4.290 10.878 895 2HB HIS 109 HB3 HIS 109 9.756 -3.245 10.763 896 HD1 HIS 109 HD1 HIS 109 9.554 -0.936 11.746 897 HD2 HIS 109 HD2 HIS 109 5.913 -2.925 11.513 898 HE1 HIS 109 HE1 HIS 109 7.924 0.499 13.013 899 HE2 HIS 109 HE2 HIS 109 5.747 -0.767 12.933 900 H LEU 110 H LEU 110 10.507 -2.041 8.153 901 HA LEU 110 HA LEU 110 11.914 -4.462 7.353 902 1HB LEU 110 HB2 LEU 110 11.308 -2.188 5.465 903 2HB LEU 110 HB3 LEU 110 12.387 -3.522 5.120 904 HG LEU 110 HG LEU 110 9.427 -3.803 5.634 905 1HD1 LEU 110 2HD1 LEU 110 10.995 -3.787 3.059 906 2HD1 LEU 110 1HD1 LEU 110 9.303 -4.262 3.207 907 3HD1 LEU 110 3HD1 LEU 110 9.790 -2.607 3.573 908 1HD2 LEU 110 2HD2 LEU 110 10.820 -5.774 6.215 909 2HD2 LEU 110 1HD2 LEU 110 9.694 -6.070 4.891 910 3HD2 LEU 110 3HD2 LEU 110 11.403 -5.803 4.551 911 H ASN 111 H ASN 111 13.610 -4.104 8.730 912 HA ASN 111 HA ASN 111 14.859 -1.554 9.025 913 1HB ASN 111 HB2 ASN 111 14.934 -3.283 10.800 914 2HB ASN 111 HB3 ASN 111 15.914 -4.301 9.749 915 1HD2 ASN 111 1HD2 ASN 111 18.054 -3.773 9.380 916 2HD2 ASN 111 2HD2 ASN 111 18.902 -2.619 10.344 917 H VAL 112 H VAL 112 15.113 -1.097 6.750 918 HA VAL 112 HA VAL 112 16.528 -2.554 4.889 919 HB VAL 112 HB VAL 112 16.726 0.447 5.077 920 1HG1 VAL 112 1HG1 VAL 112 18.023 -0.764 3.327 921 2HG1 VAL 112 3HG1 VAL 112 16.494 -1.356 2.675 922 3HG1 VAL 112 2HG1 VAL 112 16.836 0.374 2.687 923 1HG2 VAL 112 3HG2 VAL 112 14.399 -1.215 4.130 924 2HG2 VAL 112 2HG2 VAL 112 14.415 -0.057 5.459 925 3HG2 VAL 112 1HG2 VAL 112 14.594 0.505 3.798 926 H LYS 113 H LYS 113 18.549 -3.264 4.833 927 HA LYS 113 HA LYS 113 20.514 -2.421 6.716 928 1HB LYS 113 HB2 LYS 113 20.782 -4.173 4.268 929 2HB LYS 113 HB3 LYS 113 22.001 -3.988 5.520 930 1HG LYS 113 HG2 LYS 113 19.233 -5.094 5.951 931 2HG LYS 113 HG3 LYS 113 20.697 -6.057 5.754 932 1HD LYS 113 HD2 LYS 113 20.266 -4.020 7.936 933 2HD LYS 113 HD3 LYS 113 20.020 -5.757 8.123 934 1HE LYS 113 HE2 LYS 113 22.616 -4.403 7.399 935 2HE LYS 113 HE3 LYS 113 22.203 -5.072 8.977 936 1HZ LYS 113 HZ3 LYS 113 22.434 -6.620 6.452 937 2HZ LYS 113 HZ2 LYS 113 23.574 -6.594 7.701 938 3HZ LYS 113 HZ1 LYS 113 22.044 -7.261 7.969 No H/Q in entry = 938 Start of MODEL 31 1 H1 GLY -2 HT3 GLY -2 -6.015 -14.212 28.934 2 H2 GLY -2 HT2 GLY -2 -6.575 -13.907 27.368 3 H3 GLY -2 HT1 GLY -2 -7.479 -14.882 28.413 4 1HA GLY -2 HA2 GLY -2 -6.329 -16.240 26.788 5 2HA GLY -2 HA3 GLY -2 -5.753 -16.560 28.416 6 H SER -1 H SER -1 -5.039 -14.774 25.450 7 HA SER -1 HA SER -1 -2.234 -14.556 26.272 8 1HB SER -1 HB2 SER -1 -3.170 -15.729 23.642 9 2HB SER -1 HB3 SER -1 -1.493 -15.382 24.062 10 HG SER -1 HG SER -1 -1.995 -16.825 25.958 11 H HIS 0 H HIS 0 -4.791 -13.621 24.036 12 HA HIS 0 HA HIS 0 -3.260 -11.311 23.132 13 1HB HIS 0 HB2 HIS 0 -6.023 -12.267 22.349 14 2HB HIS 0 HB3 HIS 0 -5.153 -10.932 21.599 15 HD1 HIS 0 HD1 HIS 0 -5.533 -14.584 21.506 16 HD2 HIS 0 HD2 HIS 0 -2.833 -11.756 20.096 17 HE1 HIS 0 HE1 HIS 0 -4.159 -15.774 19.768 18 HE2 HIS 0 HE2 HIS 0 -2.587 -14.021 18.870 19 H MET 1 H MET 1 -3.959 -9.166 23.389 20 HA MET 1 HA MET 1 -5.354 -8.687 25.876 21 1HB MET 1 HB2 MET 1 -4.220 -6.675 23.926 22 2HB MET 1 HB3 MET 1 -4.690 -6.373 25.592 23 1HG MET 1 HG2 MET 1 -2.917 -7.850 26.372 24 2HG MET 1 HG3 MET 1 -2.448 -8.173 24.704 25 1HE MET 1 HE3 MET 1 0.057 -7.492 25.242 26 2HE MET 1 HE2 MET 1 0.514 -5.971 26.007 27 3HE MET 1 HE1 MET 1 -0.391 -7.179 26.918 28 H ILE 2 H ILE 2 -6.670 -6.374 25.572 29 HA ILE 2 HA ILE 2 -8.560 -6.662 23.365 30 HB ILE 2 HB ILE 2 -9.531 -7.996 25.177 31 1HG1 ILE 2 2HG1 ILE 2 -11.711 -6.786 25.364 32 2HG1 ILE 2 3HG1 ILE 2 -10.939 -5.367 24.664 33 1HG2 ILE 2 2HG2 ILE 2 -8.470 -6.901 27.068 34 2HG2 ILE 2 1HG2 ILE 2 -9.425 -5.446 26.780 35 3HG2 ILE 2 3HG2 ILE 2 -10.221 -6.939 27.276 36 1HD1 ILE 2 1HD1 ILE 2 -11.251 -8.038 23.319 37 2HD1 ILE 2 3HD1 ILE 2 -12.218 -6.597 23.007 38 3HD1 ILE 2 2HD1 ILE 2 -10.498 -6.606 22.618 39 H ALA 3 H ALA 3 -6.992 -4.797 25.791 40 HA ALA 3 HA ALA 3 -8.562 -2.424 25.521 41 1HB ALA 3 HB2 ALA 3 -5.772 -2.766 26.611 42 2HB ALA 3 HB1 ALA 3 -6.803 -1.351 26.819 43 3HB ALA 3 HB3 ALA 3 -7.265 -2.892 27.540 44 HA PRO 4 HA PRO 4 -6.520 -1.356 21.632 45 1HB PRO 4 HB2 PRO 4 -8.268 0.524 20.848 46 2HB PRO 4 HB3 PRO 4 -8.658 -1.198 20.762 47 1HG PRO 4 HG2 PRO 4 -9.465 0.830 22.813 48 2HG PRO 4 HG3 PRO 4 -10.439 -0.444 22.054 49 1HD PRO 4 HD2 PRO 4 -9.311 -0.662 24.543 50 2HD PRO 4 HD3 PRO 4 -9.684 -2.049 23.503 51 H LEU 5 H LEU 5 -5.909 0.837 20.636 52 HA LEU 5 HA LEU 5 -5.550 3.004 22.518 53 1HB LEU 5 HB2 LEU 5 -3.670 1.518 23.055 54 2HB LEU 5 HB3 LEU 5 -3.165 1.544 21.377 55 HG LEU 5 HG LEU 5 -2.769 3.997 21.585 56 1HD1 LEU 5 3HD1 LEU 5 -4.295 4.450 23.431 57 2HD1 LEU 5 2HD1 LEU 5 -3.286 3.489 24.512 58 3HD1 LEU 5 1HD1 LEU 5 -2.659 4.983 23.816 59 1HD2 LEU 5 1HD2 LEU 5 -1.270 2.250 23.532 60 2HD2 LEU 5 3HD2 LEU 5 -0.936 2.412 21.807 61 3HD2 LEU 5 2HD2 LEU 5 -0.708 3.790 22.882 62 H SER 6 H SER 6 -3.855 1.957 19.564 63 HA SER 6 HA SER 6 -5.242 3.801 17.886 64 1HB SER 6 HB2 SER 6 -3.313 5.265 17.371 65 2HB SER 6 HB3 SER 6 -3.833 5.424 19.049 66 HG SER 6 HG SER 6 -1.550 5.236 18.836 67 H VAL 7 H VAL 7 -2.008 2.322 18.177 68 HA VAL 7 HA VAL 7 -2.237 1.374 15.415 69 HB VAL 7 HB VAL 7 -0.180 2.572 15.992 70 1HG1 VAL 7 1HG1 VAL 7 0.256 0.348 17.982 71 2HG1 VAL 7 3HG1 VAL 7 1.443 1.578 17.549 72 3HG1 VAL 7 2HG1 VAL 7 -0.055 2.044 18.355 73 1HG2 VAL 7 2HG2 VAL 7 -0.082 0.844 14.276 74 2HG2 VAL 7 1HG2 VAL 7 1.434 0.927 15.174 75 3HG2 VAL 7 3HG2 VAL 7 0.283 -0.367 15.504 76 H LYS 8 H LYS 8 -1.840 -0.817 14.869 77 HA LYS 8 HA LYS 8 -1.980 -2.738 17.080 78 1HB LYS 8 HB2 LYS 8 -3.571 -3.085 14.550 79 2HB LYS 8 HB3 LYS 8 -3.696 -3.999 16.041 80 1HG LYS 8 HG2 LYS 8 -4.407 -1.088 15.814 81 2HG LYS 8 HG3 LYS 8 -5.567 -2.406 15.634 82 1HD LYS 8 HD2 LYS 8 -5.061 -3.173 17.896 83 2HD LYS 8 HD3 LYS 8 -3.879 -1.874 18.078 84 1HE LYS 8 HE2 LYS 8 -5.993 -1.306 19.160 85 2HE LYS 8 HE3 LYS 8 -5.646 -0.215 17.819 86 1HZ LYS 8 HZ3 LYS 8 -7.495 -2.538 17.715 87 2HZ LYS 8 HZ2 LYS 8 -7.960 -0.915 17.826 88 3HZ LYS 8 HZ1 LYS 8 -7.171 -1.476 16.439 89 H ASP 9 H ASP 9 -0.161 -3.848 16.920 90 HA ASP 9 HA ASP 9 1.444 -4.028 14.653 91 1HB ASP 9 HB2 ASP 9 1.340 -5.876 17.047 92 2HB ASP 9 HB3 ASP 9 2.663 -5.761 15.898 93 H ASN 10 H ASN 10 1.343 -5.268 12.888 94 HA ASN 10 HA ASN 10 -0.497 -7.565 12.932 95 1HB ASN 10 HB2 ASN 10 -0.760 -5.350 11.384 96 2HB ASN 10 HB3 ASN 10 0.187 -6.381 10.312 97 1HD2 ASN 10 1HD2 ASN 10 -2.094 -7.590 12.673 98 2HD2 ASN 10 2HD2 ASN 10 -3.241 -8.195 11.532 99 H ASP 11 H ASP 11 2.705 -6.549 12.465 100 HA ASP 11 HA ASP 11 3.480 -9.267 11.799 101 1HB ASP 11 HB2 ASP 11 3.167 -7.686 9.683 102 2HB ASP 11 HB3 ASP 11 4.780 -7.155 10.146 103 H LYS 12 H LYS 12 6.171 -7.979 10.995 104 HA LYS 12 HA LYS 12 7.078 -7.229 13.682 105 1HB LYS 12 HB2 LYS 12 8.978 -8.688 13.496 106 2HB LYS 12 HB3 LYS 12 7.525 -9.630 13.183 107 1HG LYS 12 HG2 LYS 12 7.947 -9.417 10.763 108 2HG LYS 12 HG3 LYS 12 9.451 -8.574 11.131 109 1HD LYS 12 HD2 LYS 12 8.779 -11.372 12.031 110 2HD LYS 12 HD3 LYS 12 9.783 -10.973 10.636 111 1HE LYS 12 HE2 LYS 12 11.360 -9.811 12.107 112 2HE LYS 12 HE3 LYS 12 10.360 -10.221 13.500 113 1HZ LYS 12 HZ3 LYS 12 10.754 -12.564 13.042 114 2HZ LYS 12 HZ2 LYS 12 11.725 -12.165 11.717 115 3HZ LYS 12 HZ1 LYS 12 12.214 -11.744 13.279 116 H TRP 13 H TRP 13 9.636 -6.757 13.339 117 HA TRP 13 HA TRP 13 10.007 -5.043 11.002 118 1HB TRP 13 HB2 TRP 13 10.511 -4.277 13.890 119 2HB TRP 13 HB3 TRP 13 10.981 -3.315 12.496 120 HD1 TRP 13 HD1 TRP 13 8.334 -3.571 10.800 121 HE1 TRP 13 HE1 TRP 13 6.195 -2.368 11.556 122 HE3 TRP 13 HE3 TRP 13 9.449 -2.964 15.750 123 HZ2 TRP 13 HZ2 TRP 13 5.100 -1.309 13.927 124 HZ3 TRP 13 HZ3 TRP 13 7.800 -1.845 17.197 125 HH2 TRP 13 HH2 TRP 13 5.676 -1.035 16.305 126 H VAL 14 H VAL 14 11.870 -5.712 9.971 127 HA VAL 14 HA VAL 14 14.248 -6.222 11.519 128 HB VAL 14 HB VAL 14 13.336 -8.376 11.829 129 1HG1 VAL 14 1HG1 VAL 14 12.671 -8.292 8.907 130 2HG1 VAL 14 3HG1 VAL 14 12.703 -9.798 9.825 131 3HG1 VAL 14 2HG1 VAL 14 11.580 -8.515 10.278 132 1HG2 VAL 14 1HG2 VAL 14 15.705 -8.338 11.232 133 2HG2 VAL 14 3HG2 VAL 14 14.921 -9.832 10.719 134 3HG2 VAL 14 2HG2 VAL 14 15.274 -8.570 9.537 135 H ASP 15 H ASP 15 16.095 -6.658 10.266 136 HA ASP 15 HA ASP 15 16.564 -4.879 8.274 137 1HB ASP 15 HB2 ASP 15 18.617 -6.001 7.861 138 2HB ASP 15 HB3 ASP 15 18.240 -6.192 9.576 139 H THR 16 H THR 16 17.288 -5.275 6.036 140 HA THR 16 HA THR 16 16.289 -7.405 4.479 141 HB THR 16 HB THR 16 14.147 -6.135 5.134 142 HG1 THR 16 HG1 THR 16 13.360 -7.034 3.376 143 1HG2 THR 16 1HG2 THR 16 15.075 -3.872 4.708 144 2HG2 THR 16 3HG2 THR 16 15.119 -4.253 2.986 145 3HG2 THR 16 2HG2 THR 16 13.576 -4.191 3.838 146 H HIS 17 H HIS 17 15.913 -6.177 2.024 147 HA HIS 17 HA HIS 17 18.497 -4.807 1.667 148 1HB HIS 17 HB2 HIS 17 16.982 -6.670 -0.154 149 2HB HIS 17 HB3 HIS 17 18.310 -5.671 -0.727 150 HD1 HIS 17 HD1 HIS 17 17.568 -8.830 0.980 151 HD2 HIS 17 HD2 HIS 17 20.854 -6.336 0.483 152 HE1 HIS 17 HE1 HIS 17 19.565 -10.212 1.633 153 HE2 HIS 17 HE2 HIS 17 21.534 -8.658 1.398 154 H VAL 18 H VAL 18 18.410 -3.646 -0.649 155 HA VAL 18 HA VAL 18 16.313 -1.639 -0.330 156 HB VAL 18 HB VAL 18 18.699 -1.505 -2.166 157 1HG1 VAL 18 2HG1 VAL 18 16.859 0.592 -1.023 158 2HG1 VAL 18 1HG1 VAL 18 18.313 0.932 -1.965 159 3HG1 VAL 18 3HG1 VAL 18 16.959 0.075 -2.706 160 1HG2 VAL 18 2HG2 VAL 18 19.467 -1.869 0.117 161 2HG2 VAL 18 1HG2 VAL 18 19.814 -0.220 -0.406 162 3HG2 VAL 18 3HG2 VAL 18 18.460 -0.535 0.679 163 H GLY 19 H GLY 19 15.008 -0.908 -1.973 164 1HA GLY 19 HA3 GLY 19 14.979 -1.598 -4.641 165 2HA GLY 19 HA2 GLY 19 13.552 -1.181 -3.713 166 H LYS 20 H LYS 20 14.153 -3.582 -1.947 167 HA LYS 20 HA LYS 20 13.796 -5.852 -3.653 168 1HB LYS 20 HB2 LYS 20 14.586 -5.476 -1.032 169 2HB LYS 20 HB3 LYS 20 13.006 -6.205 -0.858 170 1HG LYS 20 HG2 LYS 20 14.482 -8.000 -0.869 171 2HG LYS 20 HG3 LYS 20 13.828 -7.964 -2.511 172 1HD LYS 20 HD2 LYS 20 15.776 -7.020 -3.386 173 2HD LYS 20 HD3 LYS 20 16.330 -6.502 -1.797 174 1HE LYS 20 HE2 LYS 20 16.699 -8.840 -1.167 175 2HE LYS 20 HE3 LYS 20 16.132 -9.358 -2.754 176 1HZ LYS 20 HZ2 LYS 20 18.525 -7.676 -2.241 177 2HZ LYS 20 HZ1 LYS 20 18.543 -9.319 -2.644 178 3HZ LYS 20 HZ3 LYS 20 17.983 -8.179 -3.762 179 H THR 21 H THR 21 12.015 -4.863 -4.830 180 HA THR 21 HA THR 21 9.579 -4.059 -4.024 181 HB THR 21 HB THR 21 9.887 -6.063 -6.258 182 HG1 THR 21 HG1 THR 21 11.164 -4.635 -7.144 183 1HG2 THR 21 1HG2 THR 21 8.005 -3.738 -5.830 184 2HG2 THR 21 3HG2 THR 21 8.078 -4.735 -7.283 185 3HG2 THR 21 2HG2 THR 21 7.589 -5.450 -5.746 186 H THR 22 H THR 22 8.545 -4.872 -2.309 187 HA THR 22 HA THR 22 8.034 -7.764 -2.216 188 HB THR 22 HB THR 22 7.730 -5.688 -0.030 189 HG1 THR 22 HG1 THR 22 9.861 -6.043 -0.120 190 1HG2 THR 22 2HG2 THR 22 7.436 -8.695 0.063 191 2HG2 THR 22 1HG2 THR 22 7.399 -7.618 1.458 192 3HG2 THR 22 3HG2 THR 22 6.135 -7.519 0.234 193 H GLU 23 H GLU 23 6.265 -8.181 -3.357 194 HA GLU 23 HA GLU 23 4.004 -6.413 -3.395 195 1HB GLU 23 HB2 GLU 23 4.828 -7.793 -5.344 196 2HB GLU 23 HB3 GLU 23 4.203 -9.206 -4.505 197 1HG GLU 23 HG2 GLU 23 1.965 -8.414 -4.647 198 2HG GLU 23 HG3 GLU 23 2.516 -6.826 -5.196 199 H ILE 24 H ILE 24 2.445 -6.420 -1.977 200 HA ILE 24 HA ILE 24 1.801 -8.919 -0.566 201 HB ILE 24 HB ILE 24 1.701 -6.147 0.604 202 1HG1 ILE 24 2HG1 ILE 24 3.635 -8.401 1.150 203 2HG1 ILE 24 3HG1 ILE 24 4.011 -6.929 0.260 204 1HG2 ILE 24 2HG2 ILE 24 0.009 -7.662 1.502 205 2HG2 ILE 24 1HG2 ILE 24 1.262 -8.845 1.880 206 3HG2 ILE 24 3HG2 ILE 24 1.234 -7.291 2.715 207 1HD1 ILE 24 3HD1 ILE 24 3.567 -5.616 2.282 208 2HD1 ILE 24 2HD1 ILE 24 3.256 -7.111 3.164 209 3HD1 ILE 24 1HD1 ILE 24 4.862 -6.791 2.509 210 H HIS 25 H HIS 25 0.055 -9.471 -1.690 211 HA HIS 25 HA HIS 25 -2.045 -7.552 -2.223 212 1HB HIS 25 HB2 HIS 25 -2.589 -10.396 -2.660 213 2HB HIS 25 HB3 HIS 25 -2.809 -9.035 -3.743 214 HD1 HIS 25 HD1 HIS 25 -0.309 -11.625 -2.749 215 HD2 HIS 25 HD2 HIS 25 -0.719 -8.544 -5.500 216 HE1 HIS 25 HE1 HIS 25 1.564 -11.946 -4.395 217 HE2 HIS 25 HE2 HIS 25 1.192 -10.167 -6.140 218 H LEU 26 H LEU 26 -3.314 -7.041 -0.563 219 HA LEU 26 HA LEU 26 -3.840 -9.000 1.531 220 1HB LEU 26 HB2 LEU 26 -4.632 -6.098 1.302 221 2HB LEU 26 HB3 LEU 26 -4.959 -7.117 2.688 222 HG LEU 26 HG LEU 26 -3.104 -5.803 3.293 223 1HD1 LEU 26 2HD1 LEU 26 -2.851 -8.192 3.833 224 2HD1 LEU 26 1HD1 LEU 26 -1.945 -8.415 2.337 225 3HD1 LEU 26 3HD1 LEU 26 -1.301 -7.378 3.610 226 1HD2 LEU 26 3HD2 LEU 26 -2.564 -5.004 1.034 227 2HD2 LEU 26 2HD2 LEU 26 -1.132 -5.483 1.948 228 3HD2 LEU 26 1HD2 LEU 26 -1.778 -6.546 0.698 229 H LYS 27 H LYS 27 -6.128 -9.098 2.378 230 HA LYS 27 HA LYS 27 -7.973 -9.294 0.096 231 1HB LYS 27 HB2 LYS 27 -8.213 -10.677 2.769 232 2HB LYS 27 HB3 LYS 27 -9.176 -10.977 1.332 233 1HG LYS 27 HG2 LYS 27 -7.267 -11.883 0.178 234 2HG LYS 27 HG3 LYS 27 -6.215 -11.479 1.535 235 1HD LYS 27 HD2 LYS 27 -6.745 -13.823 1.636 236 2HD LYS 27 HD3 LYS 27 -7.564 -12.999 2.964 237 1HE LYS 27 HE2 LYS 27 -9.639 -12.975 1.672 238 2HE LYS 27 HE3 LYS 27 -8.822 -13.792 0.341 239 1HZ LYS 27 HZ1 LYS 27 -9.213 -14.902 3.067 240 2HZ LYS 27 HZ3 LYS 27 -10.084 -15.346 1.686 241 3HZ LYS 27 HZ2 LYS 27 -8.431 -15.686 1.790 242 H GLY 28 H GLY 28 -10.327 -9.000 0.747 243 1HA GLY 28 HA3 GLY 28 -10.520 -6.410 2.035 244 2HA GLY 28 HA2 GLY 28 -11.348 -7.709 2.874 245 H ASN 29 H ASN 29 -12.406 -5.285 1.583 246 HA ASN 29 HA ASN 29 -13.698 -5.962 -0.840 247 1HB ASN 29 HB2 ASN 29 -14.905 -7.541 0.609 248 2HB ASN 29 HB3 ASN 29 -15.385 -6.209 1.660 249 1HD2 ASN 29 1HD2 ASN 29 -17.566 -6.662 1.312 250 2HD2 ASN 29 2HD2 ASN 29 -18.358 -6.256 -0.169 251 HA PRO 30 HA PRO 30 -13.735 -1.472 -0.422 252 1HB PRO 30 HB2 PRO 30 -15.234 -1.731 -2.975 253 2HB PRO 30 HB3 PRO 30 -13.817 -0.746 -2.598 254 1HG PRO 30 HG2 PRO 30 -13.580 -2.948 -4.068 255 2HG PRO 30 HG3 PRO 30 -12.351 -2.529 -2.860 256 1HD PRO 30 HD2 PRO 30 -14.542 -4.559 -2.710 257 2HD PRO 30 HD3 PRO 30 -12.869 -4.662 -2.130 258 H THR 31 H THR 31 -16.597 -3.206 -1.658 259 HA THR 31 HA THR 31 -18.513 -1.296 -1.035 260 HB THR 31 HB THR 31 -18.930 -4.286 -0.958 261 HG1 THR 31 HG1 THR 31 -17.866 -3.565 -2.906 262 1HG2 THR 31 1HG2 THR 31 -20.767 -1.996 -1.639 263 2HG2 THR 31 3HG2 THR 31 -21.183 -3.707 -1.727 264 3HG2 THR 31 2HG2 THR 31 -20.819 -2.967 -0.167 265 H THR 32 H THR 32 -16.905 -3.638 0.992 266 HA THR 32 HA THR 32 -18.694 -3.736 3.138 267 HB THR 32 HB THR 32 -15.689 -4.024 3.107 268 HG1 THR 32 HG1 THR 32 -16.321 -6.275 3.300 269 1HG2 THR 32 1HG2 THR 32 -17.645 -4.651 5.320 270 2HG2 THR 32 3HG2 THR 32 -15.951 -5.142 5.290 271 3HG2 THR 32 2HG2 THR 32 -16.372 -3.431 5.358 272 H GLY 33 H GLY 33 -15.790 -1.673 2.769 273 1HA GLY 33 HA3 GLY 33 -16.624 -0.074 5.045 274 2HA GLY 33 HA2 GLY 33 -16.737 0.732 3.489 275 H TYR 34 H TYR 34 -14.528 -0.777 5.777 276 HA TYR 34 HA TYR 34 -12.559 1.165 5.541 277 1HB TYR 34 HB2 TYR 34 -12.309 -1.711 6.427 278 2HB TYR 34 HB3 TYR 34 -11.053 -0.498 6.641 279 HD1 TYR 34 HD1 TYR 34 -14.471 -1.476 7.637 280 HD2 TYR 34 HD2 TYR 34 -11.166 1.093 8.418 281 HE1 TYR 34 HE1 TYR 34 -15.500 -0.807 9.767 282 HE2 TYR 34 HE2 TYR 34 -12.189 1.766 10.549 283 HH TYR 34 HH TYR 34 -14.421 1.850 11.577 284 H MET 35 H MET 35 -10.380 0.990 4.735 285 HA MET 35 HA MET 35 -10.148 -0.578 2.267 286 1HB MET 35 HB2 MET 35 -10.324 1.557 1.407 287 2HB MET 35 HB3 MET 35 -9.641 2.303 2.845 288 1HG MET 35 HG2 MET 35 -7.426 1.374 2.179 289 2HG MET 35 HG3 MET 35 -8.170 0.861 0.682 290 1HE MET 35 HE2 MET 35 -10.101 3.013 -0.153 291 2HE MET 35 HE1 MET 35 -9.161 4.243 -0.997 292 3HE MET 35 HE3 MET 35 -8.867 2.535 -1.317 293 H TRP 36 H TRP 36 -8.067 -1.307 1.756 294 HA TRP 36 HA TRP 36 -6.228 -1.367 4.048 295 1HB TRP 36 HB2 TRP 36 -7.089 -3.361 2.121 296 2HB TRP 36 HB3 TRP 36 -5.339 -3.227 2.194 297 HD1 TRP 36 HD1 TRP 36 -7.973 -5.161 3.691 298 HE1 TRP 36 HE1 TRP 36 -7.296 -6.116 5.986 299 HE3 TRP 36 HE3 TRP 36 -3.861 -2.262 4.603 300 HZ2 TRP 36 HZ2 TRP 36 -5.290 -5.701 7.918 301 HZ3 TRP 36 HZ3 TRP 36 -2.621 -2.607 6.699 302 HH2 TRP 36 HH2 TRP 36 -3.323 -4.292 8.319 303 H THR 37 H THR 37 -5.379 0.709 3.520 304 HA THR 37 HA THR 37 -3.548 0.653 1.210 305 HB THR 37 HB THR 37 -5.440 2.220 0.852 306 HG1 THR 37 HG1 THR 37 -3.366 4.007 1.157 307 1HG2 THR 37 1HG2 THR 37 -5.808 2.836 3.211 308 2HG2 THR 37 3HG2 THR 37 -4.275 3.708 3.215 309 3HG2 THR 37 2HG2 THR 37 -5.597 4.255 2.185 310 H ARG 38 H ARG 38 -2.240 3.121 1.877 311 HA ARG 38 HA ARG 38 -0.631 2.185 4.129 312 1HB ARG 38 HB2 ARG 38 -0.008 3.299 1.646 313 2HB ARG 38 HB3 ARG 38 0.339 4.574 2.793 314 1HG ARG 38 HG2 ARG 38 1.870 3.193 3.966 315 2HG ARG 38 HG3 ARG 38 1.420 1.791 2.993 316 1HD ARG 38 HD2 ARG 38 3.459 2.659 2.125 317 2HD ARG 38 HD3 ARG 38 2.204 3.027 0.978 318 HE ARG 38 HE ARG 38 2.260 5.319 1.845 319 1HH1 ARG 38 1HH1 ARG 38 4.948 3.224 2.571 320 2HH1 ARG 38 2HH1 ARG 38 6.077 4.522 2.767 321 1HH2 ARG 38 1HH2 ARG 38 3.752 7.038 2.094 322 2HH2 ARG 38 2HH2 ARG 38 5.398 6.686 2.498 323 H VAL 39 H VAL 39 -1.133 2.960 6.070 324 HA VAL 39 HA VAL 39 -2.909 4.953 6.664 325 HB VAL 39 HB VAL 39 -2.357 3.625 8.478 326 1HG1 VAL 39 2HG1 VAL 39 0.546 4.249 7.985 327 2HG1 VAL 39 1HG1 VAL 39 -0.075 3.273 9.317 328 3HG1 VAL 39 3HG1 VAL 39 -0.279 2.726 7.653 329 1HG2 VAL 39 2HG2 VAL 39 -2.581 5.977 9.138 330 2HG2 VAL 39 1HG2 VAL 39 -1.509 5.085 10.218 331 3HG2 VAL 39 3HG2 VAL 39 -0.833 6.171 9.005 332 H GLY 40 H GLY 40 -2.920 7.103 6.847 333 1HA GLY 40 HA3 GLY 40 -0.431 8.613 6.795 334 2HA GLY 40 HA2 GLY 40 -2.044 9.268 7.037 335 H PHE 41 H PHE 41 -2.396 7.271 4.507 336 HA PHE 41 HA PHE 41 -2.069 9.454 2.581 337 1HB PHE 41 HB2 PHE 41 -1.181 6.615 2.043 338 2HB PHE 41 HB3 PHE 41 -1.035 7.991 0.954 339 HD1 PHE 41 HD1 PHE 41 0.436 6.162 3.660 340 HD2 PHE 41 HD2 PHE 41 0.496 9.880 1.594 341 HE1 PHE 41 HE1 PHE 41 2.640 6.664 4.637 342 HE2 PHE 41 HE2 PHE 41 2.701 10.389 2.561 343 HZ PHE 41 HZ PHE 41 3.776 8.781 4.087 344 H VAL 42 H VAL 42 -4.054 7.309 4.002 345 HA VAL 42 HA VAL 42 -5.529 6.026 2.075 346 HB VAL 42 HB VAL 42 -5.982 5.779 4.472 347 1HG1 VAL 42 1HG1 VAL 42 -5.752 8.107 5.148 348 2HG1 VAL 42 3HG1 VAL 42 -7.221 8.522 4.263 349 3HG1 VAL 42 2HG1 VAL 42 -7.307 7.458 5.667 350 1HG2 VAL 42 3HG2 VAL 42 -8.379 6.684 2.879 351 2HG2 VAL 42 2HG2 VAL 42 -7.681 5.064 2.891 352 3HG2 VAL 42 1HG2 VAL 42 -8.434 5.711 4.348 353 H GLY 43 H GLY 43 -7.019 6.561 0.565 354 1HA GLY 43 HA3 GLY 43 -8.265 9.176 0.551 355 2HA GLY 43 HA2 GLY 43 -8.565 7.870 -0.584 356 H LYS 44 H LYS 44 -5.391 9.177 0.196 357 HA LYS 44 HA LYS 44 -5.181 11.009 -1.917 358 1HB LYS 44 HB2 LYS 44 -2.997 9.440 -0.538 359 2HB LYS 44 HB3 LYS 44 -2.760 10.874 -1.518 360 1HG LYS 44 HG2 LYS 44 -4.164 12.140 0.096 361 2HG LYS 44 HG3 LYS 44 -4.200 10.697 1.113 362 1HD LYS 44 HD2 LYS 44 -1.758 10.747 1.270 363 2HD LYS 44 HD3 LYS 44 -1.723 12.191 0.255 364 1HE LYS 44 HE2 LYS 44 -3.046 11.958 2.953 365 2HE LYS 44 HE3 LYS 44 -1.508 12.755 2.623 366 1HZ LYS 44 HZ3 LYS 44 -2.671 14.325 1.199 367 2HZ LYS 44 HZ2 LYS 44 -4.146 13.561 1.521 368 3HZ LYS 44 HZ1 LYS 44 -3.313 14.348 2.765 369 H ASP 45 H ASP 45 -3.533 10.763 -3.712 370 HA ASP 45 HA ASP 45 -4.304 8.581 -5.372 371 1HB ASP 45 HB2 ASP 45 -2.374 10.871 -5.671 372 2HB ASP 45 HB3 ASP 45 -2.527 9.627 -6.901 373 H VAL 46 H VAL 46 -1.105 9.663 -4.265 374 HA VAL 46 HA VAL 46 -0.135 6.899 -4.513 375 HB VAL 46 HB VAL 46 1.078 8.680 -5.769 376 1HG1 VAL 46 3HG1 VAL 46 1.785 9.659 -3.009 377 2HG1 VAL 46 2HG1 VAL 46 2.528 10.215 -4.510 378 3HG1 VAL 46 1HG1 VAL 46 0.815 10.512 -4.212 379 1HG2 VAL 46 3HG2 VAL 46 2.652 7.293 -3.602 380 2HG2 VAL 46 2HG2 VAL 46 2.199 6.608 -5.163 381 3HG2 VAL 46 1HG2 VAL 46 3.324 7.965 -5.087 382 H LEU 47 H LEU 47 0.763 5.840 -2.830 383 HA LEU 47 HA LEU 47 0.215 6.910 -0.185 384 1HB LEU 47 HB2 LEU 47 1.389 4.216 -0.740 385 2HB LEU 47 HB3 LEU 47 0.384 4.721 0.602 386 HG LEU 47 HG LEU 47 -0.550 4.344 -2.244 387 1HD1 LEU 47 2HD1 LEU 47 -0.004 2.248 -1.052 388 2HD1 LEU 47 1HD1 LEU 47 -1.146 2.705 0.213 389 3HD1 LEU 47 3HD1 LEU 47 -1.722 2.405 -1.427 390 1HD2 LEU 47 3HD2 LEU 47 -2.080 5.060 0.251 391 2HD2 LEU 47 2HD2 LEU 47 -1.799 6.102 -1.144 392 3HD2 LEU 47 1HD2 LEU 47 -2.799 4.658 -1.308 393 H SER 48 H SER 48 2.911 5.405 -1.903 394 HA SER 48 HA SER 48 4.959 5.708 -0.124 395 1HB SER 48 HB2 SER 48 5.109 4.620 -2.366 396 2HB SER 48 HB3 SER 48 5.167 6.223 -3.098 397 HG SER 48 HG SER 48 6.988 5.918 -1.093 398 H ASP 49 H ASP 49 6.885 7.271 -0.445 399 HA ASP 49 HA ASP 49 6.129 9.990 -1.105 400 1HB ASP 49 HB2 ASP 49 5.590 9.326 1.428 401 2HB ASP 49 HB3 ASP 49 7.303 9.703 1.610 402 H GLU 50 H GLU 50 8.637 8.790 1.074 403 HA GLU 50 HA GLU 50 10.669 9.237 -0.976 404 1HB GLU 50 HB2 GLU 50 11.953 10.693 0.430 405 2HB GLU 50 HB3 GLU 50 10.313 11.327 0.335 406 1HG GLU 50 HG2 GLU 50 9.793 10.403 2.510 407 2HG GLU 50 HG3 GLU 50 11.413 9.713 2.620 408 H ILE 51 H ILE 51 9.774 7.960 2.168 409 HA ILE 51 HA ILE 51 12.225 6.632 2.711 410 HB ILE 51 HB ILE 51 9.509 5.869 3.769 411 1HG1 ILE 51 2HG1 ILE 51 9.911 8.307 3.999 412 2HG1 ILE 51 3HG1 ILE 51 9.833 7.477 5.545 413 1HG2 ILE 51 2HG2 ILE 51 12.290 5.573 4.894 414 2HG2 ILE 51 1HG2 ILE 51 10.801 5.155 5.742 415 3HG2 ILE 51 3HG2 ILE 51 11.258 4.281 4.280 416 1HD1 ILE 51 3HD1 ILE 51 12.361 8.303 4.139 417 2HD1 ILE 51 2HD1 ILE 51 11.603 9.159 5.483 418 3HD1 ILE 51 1HD1 ILE 51 12.250 7.536 5.723 419 H LEU 52 H LEU 52 9.127 4.968 2.332 420 HA LEU 52 HA LEU 52 10.523 2.799 0.935 421 1HB LEU 52 HB2 LEU 52 7.862 2.975 2.330 422 2HB LEU 52 HB3 LEU 52 8.278 1.619 1.304 423 HG LEU 52 HG LEU 52 9.815 2.433 3.769 424 1HD1 LEU 52 2HD1 LEU 52 7.788 0.241 3.341 425 2HD1 LEU 52 1HD1 LEU 52 8.805 0.420 4.771 426 3HD1 LEU 52 3HD1 LEU 52 7.611 1.655 4.380 427 1HD2 LEU 52 1HD2 LEU 52 10.022 0.056 1.931 428 2HD2 LEU 52 3HD2 LEU 52 11.241 1.298 2.216 429 3HD2 LEU 52 2HD2 LEU 52 10.813 0.172 3.503 430 H GLU 53 H GLU 53 10.453 2.808 -1.250 431 HA GLU 53 HA GLU 53 8.585 4.343 -2.725 432 1HB GLU 53 HB2 GLU 53 10.904 3.492 -3.484 433 2HB GLU 53 HB3 GLU 53 10.078 1.989 -3.847 434 1HG GLU 53 HG2 GLU 53 8.681 3.020 -5.422 435 2HG GLU 53 HG3 GLU 53 9.191 4.627 -4.915 436 H VAL 54 H VAL 54 6.602 3.712 -1.905 437 HA VAL 54 HA VAL 54 5.775 0.940 -2.184 438 HB VAL 54 HB VAL 54 4.164 3.222 -1.060 439 1HG1 VAL 54 3HG1 VAL 54 2.860 1.269 -1.711 440 2HG1 VAL 54 2HG1 VAL 54 3.914 0.236 -0.747 441 3HG1 VAL 54 1HG1 VAL 54 2.904 1.444 0.043 442 1HG2 VAL 54 3HG2 VAL 54 6.235 1.466 0.186 443 2HG2 VAL 54 2HG2 VAL 54 5.970 3.198 0.378 444 3HG2 VAL 54 1HG2 VAL 54 4.877 2.051 1.148 445 H VAL 55 H VAL 55 5.483 0.630 -4.364 446 HA VAL 55 HA VAL 55 3.575 2.316 -5.778 447 HB VAL 55 HB VAL 55 4.978 -0.160 -6.770 448 1HG1 VAL 55 1HG1 VAL 55 2.885 0.538 -7.931 449 2HG1 VAL 55 3HG1 VAL 55 3.676 2.065 -8.326 450 3HG1 VAL 55 2HG1 VAL 55 4.319 0.549 -8.960 451 1HG2 VAL 55 3HG2 VAL 55 5.751 2.736 -7.102 452 2HG2 VAL 55 2HG2 VAL 55 6.626 1.521 -6.169 453 3HG2 VAL 55 1HG2 VAL 55 6.518 1.377 -7.923 454 H CYS 56 H CYS 56 1.805 1.803 -4.475 455 HA CYS 56 HA CYS 56 0.829 -0.952 -4.542 456 1HB CYS 56 HB2 CYS 56 0.852 -0.033 -2.335 457 2HB CYS 56 HB3 CYS 56 0.039 1.432 -2.872 458 HG CYS 56 HG CYS 56 -2.005 0.343 -1.602 459 H LYS 57 H LYS 57 -1.350 -1.406 -5.062 460 HA LYS 57 HA LYS 57 -2.811 0.630 -6.548 461 1HB LYS 57 HB2 LYS 57 -2.052 -2.051 -7.695 462 2HB LYS 57 HB3 LYS 57 -3.196 -0.942 -8.427 463 1HG LYS 57 HG2 LYS 57 -1.495 0.674 -8.831 464 2HG LYS 57 HG3 LYS 57 -0.325 -0.236 -7.872 465 1HD LYS 57 HD2 LYS 57 -1.619 -1.323 -10.365 466 2HD LYS 57 HD3 LYS 57 -0.085 -0.449 -10.371 467 1HE LYS 57 HE2 LYS 57 -0.681 -3.003 -8.882 468 2HE LYS 57 HE3 LYS 57 0.296 -2.851 -10.342 469 1HZ LYS 57 HZ3 LYS 57 1.858 -1.480 -9.108 470 2HZ LYS 57 HZ2 LYS 57 0.923 -1.633 -7.707 471 3HZ LYS 57 HZ1 LYS 57 1.678 -2.993 -8.372 472 H TYR 58 H TYR 58 -4.824 0.613 -5.970 473 HA TYR 58 HA TYR 58 -5.915 -1.613 -4.447 474 1HB TYR 58 HB2 TYR 58 -6.144 0.802 -3.719 475 2HB TYR 58 HB3 TYR 58 -7.210 1.047 -5.097 476 HD1 TYR 58 HD1 TYR 58 -8.975 -1.235 -5.092 477 HD2 TYR 58 HD2 TYR 58 -7.365 0.918 -1.778 478 HE1 TYR 58 HE1 TYR 58 -10.897 -1.920 -3.730 479 HE2 TYR 58 HE2 TYR 58 -9.301 0.240 -0.416 480 HH TYR 58 HH TYR 58 -11.468 -2.191 -1.356 481 H THR 59 H THR 59 -6.749 -3.228 -5.628 482 HA THR 59 HA THR 59 -8.048 -2.619 -8.181 483 HB THR 59 HB THR 59 -7.294 -5.312 -7.018 484 HG1 THR 59 HG1 THR 59 -5.772 -4.958 -8.998 485 1HG2 THR 59 3HG2 THR 59 -9.137 -5.448 -8.623 486 2HG2 THR 59 2HG2 THR 59 -8.191 -4.533 -9.797 487 3HG2 THR 59 1HG2 THR 59 -7.662 -6.139 -9.299 488 HA PRO 60 HA PRO 60 -11.900 -3.478 -5.987 489 1HB PRO 60 HB2 PRO 60 -13.261 -1.419 -6.945 490 2HB PRO 60 HB3 PRO 60 -11.938 -1.145 -5.807 491 1HG PRO 60 HG2 PRO 60 -12.048 -0.675 -8.737 492 2HG PRO 60 HG3 PRO 60 -11.098 0.164 -7.501 493 1HD PRO 60 HD2 PRO 60 -10.260 -1.965 -9.230 494 2HD PRO 60 HD3 PRO 60 -9.317 -1.125 -7.986 495 H THR 61 H THR 61 -14.284 -2.992 -7.183 496 HA THR 61 HA THR 61 -15.842 -3.869 -8.560 497 HB THR 61 HB THR 61 -13.597 -3.464 -10.491 498 HG1 THR 61 HG1 THR 61 -15.414 -1.838 -11.113 499 1HG2 THR 61 3HG2 THR 61 -15.069 -5.238 -11.366 500 2HG2 THR 61 2HG2 THR 61 -16.447 -4.154 -11.182 501 3HG2 THR 61 1HG2 THR 61 -15.164 -3.762 -12.323 502 HA PRO 62 HA PRO 62 -15.406 -8.267 -8.338 503 1HB PRO 62 HB2 PRO 62 -17.457 -8.904 -10.066 504 2HB PRO 62 HB3 PRO 62 -17.681 -8.476 -8.367 505 1HG PRO 62 HG2 PRO 62 -17.948 -6.756 -10.805 506 2HG PRO 62 HG3 PRO 62 -18.991 -6.835 -9.372 507 1HD PRO 62 HD2 PRO 62 -17.202 -4.863 -9.683 508 2HD PRO 62 HD3 PRO 62 -17.511 -5.582 -8.086 509 H SER 63 H SER 63 -15.430 -10.182 -9.965 510 HA SER 63 HA SER 63 -13.359 -9.740 -11.841 511 1HB SER 63 HB2 SER 63 -13.786 -12.130 -12.443 512 2HB SER 63 HB3 SER 63 -13.533 -11.869 -10.722 513 HG SER 63 HG SER 63 -16.152 -11.662 -11.470 514 H SER 64 H SER 64 -13.598 -8.793 -13.750 515 HA SER 64 HA SER 64 -16.181 -8.968 -15.128 516 1HB SER 64 HB2 SER 64 -15.307 -6.708 -14.767 517 2HB SER 64 HB3 SER 64 -13.823 -7.133 -15.619 518 HG SER 64 HG SER 64 -16.116 -6.253 -16.637 519 H THR 65 H THR 65 -12.815 -9.824 -15.426 520 HA THR 65 HA THR 65 -13.434 -11.606 -17.598 521 HB THR 65 HB THR 65 -11.410 -9.416 -18.073 522 HG1 THR 65 HG1 THR 65 -12.994 -9.035 -19.871 523 1HG2 THR 65 3HG2 THR 65 -12.310 -11.695 -19.839 524 2HG2 THR 65 2HG2 THR 65 -11.220 -10.394 -20.318 525 3HG2 THR 65 1HG2 THR 65 -10.730 -11.540 -19.070 526 HA PRO 66 HA PRO 66 -8.956 -12.423 -16.024 527 1HB PRO 66 HB2 PRO 66 -8.466 -10.569 -13.829 528 2HB PRO 66 HB3 PRO 66 -7.526 -10.819 -15.302 529 1HG PRO 66 HG2 PRO 66 -8.939 -8.554 -14.839 530 2HG PRO 66 HG3 PRO 66 -8.678 -9.206 -16.468 531 1HD PRO 66 HD2 PRO 66 -11.087 -9.451 -14.695 532 2HD PRO 66 HD3 PRO 66 -11.009 -9.103 -16.436 533 H MET 67 H MET 67 -7.925 -12.949 -13.664 534 HA MET 67 HA MET 67 -9.890 -13.452 -11.626 535 1HB MET 67 HB2 MET 67 -9.672 -15.910 -11.674 536 2HB MET 67 HB3 MET 67 -10.433 -15.285 -13.130 537 1HG MET 67 HG2 MET 67 -8.308 -15.493 -14.324 538 2HG MET 67 HG3 MET 67 -7.559 -16.137 -12.865 539 1HE MET 67 HE3 MET 67 -9.914 -17.943 -11.695 540 2HE MET 67 HE2 MET 67 -9.508 -19.511 -12.394 541 3HE MET 67 HE1 MET 67 -8.233 -18.469 -11.763 542 H VAL 68 H VAL 68 -7.150 -12.305 -12.188 543 HA VAL 68 HA VAL 68 -5.519 -13.889 -10.347 544 HB VAL 68 HB VAL 68 -4.615 -13.098 -12.576 545 1HG1 VAL 68 3HG1 VAL 68 -5.572 -10.857 -12.557 546 2HG1 VAL 68 2HG1 VAL 68 -4.565 -10.429 -11.175 547 3HG1 VAL 68 1HG1 VAL 68 -3.819 -10.798 -12.729 548 1HG2 VAL 68 2HG2 VAL 68 -3.159 -13.877 -10.780 549 2HG2 VAL 68 1HG2 VAL 68 -2.405 -12.565 -11.684 550 3HG2 VAL 68 3HG2 VAL 68 -3.113 -12.251 -10.101 551 H GLY 69 H GLY 69 -7.814 -12.244 -9.524 552 1HA GLY 69 HA3 GLY 69 -6.387 -10.592 -7.547 553 2HA GLY 69 HA2 GLY 69 -7.984 -11.291 -7.325 554 H VAL 70 H VAL 70 -9.775 -10.344 -8.446 555 HA VAL 70 HA VAL 70 -9.427 -7.477 -8.828 556 HB VAL 70 HB VAL 70 -10.814 -9.205 -10.886 557 1HG1 VAL 70 2HG1 VAL 70 -10.435 -6.216 -10.739 558 2HG1 VAL 70 1HG1 VAL 70 -11.081 -7.089 -12.129 559 3HG1 VAL 70 3HG1 VAL 70 -11.959 -7.094 -10.599 560 1HG2 VAL 70 2HG2 VAL 70 -8.392 -9.357 -11.073 561 2HG2 VAL 70 1HG2 VAL 70 -9.064 -8.435 -12.419 562 3HG2 VAL 70 3HG2 VAL 70 -8.270 -7.598 -11.086 563 H GLY 71 H GLY 71 -10.544 -7.303 -6.857 564 1HA GLY 71 HA3 GLY 71 -13.177 -8.425 -6.560 565 2HA GLY 71 HA2 GLY 71 -13.169 -6.701 -6.888 566 H GLY 72 H GLY 72 -10.835 -6.032 -5.481 567 1HA GLY 72 HA3 GLY 72 -11.661 -6.610 -2.711 568 2HA GLY 72 HA2 GLY 72 -11.177 -5.007 -3.231 569 H ILE 73 H ILE 73 -9.042 -6.098 -4.918 570 HA ILE 73 HA ILE 73 -7.227 -7.380 -3.064 571 HB ILE 73 HB ILE 73 -7.317 -6.979 -5.937 572 1HG1 ILE 73 2HG1 ILE 73 -7.453 -9.125 -4.633 573 2HG1 ILE 73 3HG1 ILE 73 -6.324 -9.132 -5.986 574 1HG2 ILE 73 3HG2 ILE 73 -5.404 -5.493 -5.450 575 2HG2 ILE 73 2HG2 ILE 73 -4.585 -6.861 -4.695 576 3HG2 ILE 73 1HG2 ILE 73 -4.973 -6.906 -6.414 577 1HD1 ILE 73 2HD1 ILE 73 -5.540 -8.699 -3.108 578 2HD1 ILE 73 1HD1 ILE 73 -5.435 -10.236 -3.967 579 3HD1 ILE 73 3HD1 ILE 73 -4.456 -8.867 -4.490 580 H TYR 74 H TYR 74 -5.057 -6.576 -2.813 581 HA TYR 74 HA TYR 74 -4.716 -3.683 -2.895 582 1HB TYR 74 HB2 TYR 74 -4.240 -5.208 -0.328 583 2HB TYR 74 HB3 TYR 74 -4.183 -3.466 -0.571 584 HD1 TYR 74 HD1 TYR 74 -6.281 -6.307 0.175 585 HD2 TYR 74 HD2 TYR 74 -6.313 -2.217 -0.976 586 HE1 TYR 74 HE1 TYR 74 -8.627 -6.146 0.853 587 HE2 TYR 74 HE2 TYR 74 -8.667 -2.048 -0.288 588 HH TYR 74 HH TYR 74 -10.229 -4.419 1.556 589 H VAL 75 H VAL 75 -3.189 -4.351 -4.541 590 HA VAL 75 HA VAL 75 -0.941 -5.978 -3.709 591 HB VAL 75 HB VAL 75 -1.661 -6.367 -5.946 592 1HG1 VAL 75 1HG1 VAL 75 -2.827 -4.271 -6.347 593 2HG1 VAL 75 3HG1 VAL 75 -1.285 -3.421 -6.449 594 3HG1 VAL 75 2HG1 VAL 75 -1.706 -4.627 -7.662 595 1HG2 VAL 75 1HG2 VAL 75 0.763 -6.401 -5.569 596 2HG2 VAL 75 3HG2 VAL 75 0.357 -5.947 -7.222 597 3HG2 VAL 75 2HG2 VAL 75 0.857 -4.713 -6.066 598 H VAL 76 H VAL 76 0.462 -5.042 -2.421 599 HA VAL 76 HA VAL 76 1.240 -2.249 -2.918 600 HB VAL 76 HB VAL 76 1.753 -3.872 -0.429 601 1HG1 VAL 76 2HG1 VAL 76 1.871 -0.912 -0.984 602 2HG1 VAL 76 1HG1 VAL 76 2.083 -1.660 0.599 603 3HG1 VAL 76 3HG1 VAL 76 3.240 -1.984 -0.693 604 1HG2 VAL 76 2HG2 VAL 76 -0.665 -3.655 -0.871 605 2HG2 VAL 76 1HG2 VAL 76 -0.154 -2.782 0.575 606 3HG2 VAL 76 3HG2 VAL 76 -0.476 -1.903 -0.919 607 H LEU 77 H LEU 77 3.104 -1.983 -3.994 608 HA LEU 77 HA LEU 77 5.219 -4.000 -3.702 609 1HB LEU 77 HB2 LEU 77 4.837 -1.773 -5.702 610 2HB LEU 77 HB3 LEU 77 6.305 -2.729 -5.599 611 HG LEU 77 HG LEU 77 3.539 -3.670 -6.371 612 1HD1 LEU 77 2HD1 LEU 77 4.811 -2.572 -8.135 613 2HD1 LEU 77 1HD1 LEU 77 6.171 -3.657 -7.842 614 3HD1 LEU 77 3HD1 LEU 77 4.647 -4.298 -8.456 615 1HD2 LEU 77 2HD2 LEU 77 5.786 -5.149 -5.232 616 2HD2 LEU 77 1HD2 LEU 77 4.093 -5.608 -5.405 617 3HD2 LEU 77 3HD2 LEU 77 5.200 -5.801 -6.764 618 H VAL 78 H VAL 78 6.344 -3.529 -1.890 619 HA VAL 78 HA VAL 78 7.004 -0.732 -1.367 620 HB VAL 78 HB VAL 78 8.047 -2.613 0.577 621 1HG1 VAL 78 3HG1 VAL 78 7.741 -0.171 0.891 622 2HG1 VAL 78 2HG1 VAL 78 5.992 -0.400 0.801 623 3HG1 VAL 78 1HG1 VAL 78 6.914 -1.123 2.122 624 1HG2 VAL 78 3HG2 VAL 78 5.093 -2.670 -0.014 625 2HG2 VAL 78 2HG2 VAL 78 6.218 -4.029 -0.053 626 3HG2 VAL 78 1HG2 VAL 78 5.820 -3.256 1.483 627 H LYS 79 H LYS 79 8.773 0.043 -2.179 628 HA LYS 79 HA LYS 79 11.148 -1.677 -2.443 629 1HB LYS 79 HB2 LYS 79 9.937 0.356 -4.263 630 2HB LYS 79 HB3 LYS 79 11.682 0.177 -4.267 631 1HG LYS 79 HG2 LYS 79 11.393 -2.231 -4.763 632 2HG LYS 79 HG3 LYS 79 9.640 -1.972 -4.853 633 1HD LYS 79 HD2 LYS 79 11.653 -0.512 -6.565 634 2HD LYS 79 HD3 LYS 79 10.813 -1.981 -7.067 635 1HE LYS 79 HE2 LYS 79 9.510 0.628 -6.298 636 2HE LYS 79 HE3 LYS 79 9.712 0.018 -7.940 637 1HZ LYS 79 HZ3 LYS 79 8.313 -1.869 -7.370 638 2HZ LYS 79 HZ2 LYS 79 8.117 -1.279 -5.797 639 3HZ LYS 79 HZ1 LYS 79 7.490 -0.413 -7.108 640 HA PRO 80 HA PRO 80 12.227 1.373 0.828 641 1HB PRO 80 HB2 PRO 80 14.746 0.128 1.080 642 2HB PRO 80 HB3 PRO 80 13.342 -0.093 2.123 643 1HG PRO 80 HG2 PRO 80 14.328 -1.780 -0.109 644 2HG PRO 80 HG3 PRO 80 13.454 -2.248 1.360 645 1HD PRO 80 HD2 PRO 80 12.245 -2.188 -1.040 646 2HD PRO 80 HD3 PRO 80 11.388 -1.744 0.452 647 H ARG 81 H ARG 81 12.697 3.290 -0.003 648 HA ARG 81 HA ARG 81 14.595 3.635 -2.134 649 1HB ARG 81 HB2 ARG 81 12.713 5.376 -0.634 650 2HB ARG 81 HB3 ARG 81 14.075 6.147 -1.426 651 1HG ARG 81 HG2 ARG 81 13.381 5.335 -3.562 652 2HG ARG 81 HG3 ARG 81 12.139 4.319 -2.826 653 1HD ARG 81 HD2 ARG 81 11.036 6.352 -1.978 654 2HD ARG 81 HD3 ARG 81 12.231 7.329 -2.825 655 HE ARG 81 HE ARG 81 10.956 5.531 -4.605 656 1HH1 ARG 81 1HH1 ARG 81 10.453 8.508 -2.868 657 2HH1 ARG 81 2HH1 ARG 81 9.303 9.128 -4.005 658 1HH2 ARG 81 1HH2 ARG 81 9.444 6.338 -6.108 659 2HH2 ARG 81 2HH2 ARG 81 8.729 7.894 -5.847 660 H LYS 82 H LYS 82 14.440 4.312 1.325 661 HA LYS 82 HA LYS 82 17.254 5.170 1.261 662 1HB LYS 82 HB2 LYS 82 15.196 5.601 3.435 663 2HB LYS 82 HB3 LYS 82 16.834 6.239 3.415 664 1HG LYS 82 HG2 LYS 82 16.279 7.558 1.418 665 2HG LYS 82 HG3 LYS 82 14.625 6.946 1.494 666 1HD LYS 82 HD2 LYS 82 14.374 7.944 3.726 667 2HD LYS 82 HD3 LYS 82 16.014 8.585 3.613 668 1HE LYS 82 HE2 LYS 82 13.722 9.259 1.772 669 2HE LYS 82 HE3 LYS 82 14.346 10.286 3.063 670 1HZ LYS 82 HZ2 LYS 82 16.470 10.380 1.909 671 2HZ LYS 82 HZ1 LYS 82 15.865 9.402 0.668 672 3HZ LYS 82 HZ3 LYS 82 15.222 10.948 0.917 673 H ARG 83 H ARG 83 18.335 4.669 3.512 674 HA ARG 83 HA ARG 83 17.882 1.811 4.059 675 1HB ARG 83 HB2 ARG 83 20.444 3.374 4.385 676 2HB ARG 83 HB3 ARG 83 20.242 1.640 4.579 677 1HG ARG 83 HG2 ARG 83 19.855 1.339 2.257 678 2HG ARG 83 HG3 ARG 83 19.728 3.079 1.991 679 1HD ARG 83 HD2 ARG 83 22.069 3.354 2.597 680 2HD ARG 83 HD3 ARG 83 22.206 1.623 2.900 681 HE ARG 83 HE ARG 83 21.293 1.981 0.284 682 1HH1 ARG 83 1HH1 ARG 83 24.148 2.574 2.192 683 2HH1 ARG 83 2HH1 ARG 83 25.232 2.430 0.849 684 1HH2 ARG 83 1HH2 ARG 83 22.713 1.790 -1.490 685 2HH2 ARG 83 2HH2 ARG 83 24.416 1.986 -1.245 686 H GLY 84 H GLY 84 18.043 1.058 6.210 687 1HA GLY 84 HA3 GLY 84 17.784 3.194 8.240 688 2HA GLY 84 HA2 GLY 84 18.662 1.704 8.549 689 H HIS 85 H HIS 85 16.558 2.620 10.161 690 HA HIS 85 HA HIS 85 14.912 0.295 10.201 691 1HB HIS 85 HB2 HIS 85 14.682 2.866 11.780 692 2HB HIS 85 HB3 HIS 85 13.805 1.379 12.123 693 HD1 HIS 85 HD1 HIS 85 17.012 3.075 12.706 694 HD2 HIS 85 HD2 HIS 85 15.476 -0.770 13.063 695 HE1 HIS 85 HE1 HIS 85 18.651 1.827 14.149 696 HE2 HIS 85 HE2 HIS 85 17.746 -0.521 14.277 697 H HIS 86 H HIS 86 13.574 0.101 8.476 698 HA HIS 86 HA HIS 86 11.541 2.201 8.167 699 1HB HIS 86 HB2 HIS 86 12.943 0.698 5.952 700 2HB HIS 86 HB3 HIS 86 11.514 1.701 5.716 701 HD1 HIS 86 HD1 HIS 86 12.743 3.872 7.867 702 HD2 HIS 86 HD2 HIS 86 14.414 2.493 4.321 703 HE1 HIS 86 HE1 HIS 86 14.373 5.649 7.156 704 HE2 HIS 86 HE2 HIS 86 15.434 4.752 5.054 705 H THR 87 H THR 87 9.490 1.501 7.402 706 HA THR 87 HA THR 87 8.932 -1.306 7.143 707 HB THR 87 HB THR 87 8.002 0.193 9.591 708 HG1 THR 87 HG1 THR 87 9.849 -0.819 10.115 709 1HG2 THR 87 3HG2 THR 87 6.116 -1.015 8.592 710 2HG2 THR 87 2HG2 THR 87 7.076 -2.494 8.576 711 3HG2 THR 87 1HG2 THR 87 6.626 -1.754 10.110 712 H LEU 88 H LEU 88 7.055 -1.673 6.056 713 HA LEU 88 HA LEU 88 5.756 0.607 4.890 714 1HB LEU 88 HB2 LEU 88 5.993 -1.318 3.509 715 2HB LEU 88 HB3 LEU 88 5.233 -2.345 4.702 716 HG LEU 88 HG LEU 88 3.104 -1.042 4.332 717 1HD1 LEU 88 1HD1 LEU 88 4.123 0.947 3.339 718 2HD1 LEU 88 3HD1 LEU 88 4.623 -0.009 1.944 719 3HD1 LEU 88 2HD1 LEU 88 2.909 0.238 2.275 720 1HD2 LEU 88 2HD2 LEU 88 3.637 -3.273 3.325 721 2HD2 LEU 88 1HD2 LEU 88 2.477 -2.302 2.420 722 3HD2 LEU 88 3HD2 LEU 88 4.148 -2.417 1.872 723 H GLU 89 H GLU 89 4.369 1.780 5.995 724 HA GLU 89 HA GLU 89 2.795 0.614 8.124 725 1HB GLU 89 HB2 GLU 89 2.967 3.456 7.120 726 2HB GLU 89 HB3 GLU 89 2.095 2.933 8.555 727 1HG GLU 89 HG2 GLU 89 4.183 2.159 9.537 728 2HG GLU 89 HG3 GLU 89 5.060 2.716 8.115 729 H LEU 90 H LEU 90 1.217 -0.634 7.243 730 HA LEU 90 HA LEU 90 -0.605 0.601 5.302 731 1HB LEU 90 HB2 LEU 90 -0.339 -2.269 6.201 732 2HB LEU 90 HB3 LEU 90 -1.540 -1.697 5.061 733 HG LEU 90 HG LEU 90 1.445 -1.841 4.674 734 1HD1 LEU 90 2HD1 LEU 90 0.123 -3.895 4.316 735 2HD1 LEU 90 1HD1 LEU 90 -0.838 -3.037 3.113 736 3HD1 LEU 90 3HD1 LEU 90 0.885 -3.302 2.841 737 1HD2 LEU 90 2HD2 LEU 90 -0.611 -0.497 2.929 738 2HD2 LEU 90 1HD2 LEU 90 0.740 0.274 3.759 739 3HD2 LEU 90 3HD2 LEU 90 1.045 -0.860 2.443 740 H VAL 91 H VAL 91 -3.006 -0.061 5.693 741 HA VAL 91 HA VAL 91 -3.785 -0.438 8.426 742 HB VAL 91 HB VAL 91 -3.024 1.906 8.504 743 1HG1 VAL 91 2HG1 VAL 91 -5.161 2.350 6.420 744 2HG1 VAL 91 1HG1 VAL 91 -4.296 3.628 7.277 745 3HG1 VAL 91 3HG1 VAL 91 -3.417 2.536 6.206 746 1HG2 VAL 91 1HG2 VAL 91 -5.987 1.464 8.809 747 2HG2 VAL 91 3HG2 VAL 91 -4.741 1.325 10.049 748 3HG2 VAL 91 2HG2 VAL 91 -5.148 2.904 9.381 749 H TYR 92 H TYR 92 -6.030 -0.615 8.717 750 HA TYR 92 HA TYR 92 -7.590 -0.886 6.241 751 1HB TYR 92 HB2 TYR 92 -7.269 -2.834 7.930 752 2HB TYR 92 HB3 TYR 92 -8.409 -1.950 8.938 753 HD1 TYR 92 HD1 TYR 92 -10.236 -3.423 8.955 754 HD2 TYR 92 HD2 TYR 92 -8.514 -2.275 5.238 755 HE1 TYR 92 HE1 TYR 92 -12.106 -4.488 7.766 756 HE2 TYR 92 HE2 TYR 92 -10.380 -3.335 4.039 757 HH TYR 92 HH TYR 92 -12.060 -5.086 4.426 758 H THR 93 H THR 93 -8.028 1.362 6.081 759 HA THR 93 HA THR 93 -9.853 2.419 8.149 760 HB THR 93 HB THR 93 -7.752 3.596 8.273 761 HG1 THR 93 HG1 THR 93 -8.929 5.634 6.995 762 1HG2 THR 93 3HG2 THR 93 -8.132 3.998 5.304 763 2HG2 THR 93 2HG2 THR 93 -6.962 4.899 6.273 764 3HG2 THR 93 1HG2 THR 93 -6.816 3.148 6.112 765 H ARG 94 H ARG 94 -11.565 3.717 7.503 766 HA ARG 94 HA ARG 94 -12.482 3.318 4.781 767 1HB ARG 94 HB2 ARG 94 -13.804 4.753 7.096 768 2HB ARG 94 HB3 ARG 94 -14.566 4.368 5.560 769 1HG ARG 94 HG2 ARG 94 -14.316 1.985 6.032 770 2HG ARG 94 HG3 ARG 94 -13.563 2.377 7.578 771 1HD ARG 94 HD2 ARG 94 -15.915 1.823 7.875 772 2HD ARG 94 HD3 ARG 94 -15.606 3.508 8.293 773 HE ARG 94 HE ARG 94 -16.389 3.415 5.616 774 1HH1 ARG 94 1HH1 ARG 94 -17.725 2.793 8.775 775 2HH1 ARG 94 2HH1 ARG 94 -19.345 3.188 8.308 776 1HH2 ARG 94 1HH2 ARG 94 -18.520 3.936 4.994 777 2HH2 ARG 94 2HH2 ARG 94 -19.797 3.837 6.159 778 HA PRO 95 HA PRO 95 -10.352 7.226 3.744 779 1HB PRO 95 HB2 PRO 95 -11.376 7.108 1.131 780 2HB PRO 95 HB3 PRO 95 -9.790 6.547 1.661 781 1HG PRO 95 HG2 PRO 95 -12.283 5.000 1.196 782 2HG PRO 95 HG3 PRO 95 -10.597 4.516 0.952 783 1HD PRO 95 HD2 PRO 95 -12.031 3.621 3.026 784 2HD PRO 95 HD3 PRO 95 -10.302 3.981 3.168 785 H PHE 96 H PHE 96 -13.688 6.369 2.887 786 HA PHE 96 HA PHE 96 -14.492 9.096 2.553 787 1HB PHE 96 HB2 PHE 96 -16.010 6.491 2.664 788 2HB PHE 96 HB3 PHE 96 -16.755 8.045 2.346 789 HD1 PHE 96 HD1 PHE 96 -16.646 9.056 0.208 790 HD2 PHE 96 HD2 PHE 96 -14.363 5.566 1.057 791 HE1 PHE 96 HE1 PHE 96 -16.134 8.814 -2.186 792 HE2 PHE 96 HE2 PHE 96 -13.846 5.318 -1.335 793 HZ PHE 96 HZ PHE 96 -14.731 6.942 -2.961 794 H GLU 97 H GLU 97 -13.565 7.725 5.253 795 HA GLU 97 HA GLU 97 -15.440 9.244 6.885 796 1HB GLU 97 HB2 GLU 97 -14.956 6.286 7.211 797 2HB GLU 97 HB3 GLU 97 -15.596 7.290 8.504 798 1HG GLU 97 HG2 GLU 97 -16.881 7.011 5.799 799 2HG GLU 97 HG3 GLU 97 -17.307 6.036 7.204 800 H GLY 98 H GLY 98 -12.355 8.553 6.108 801 1HA GLY 98 HA3 GLY 98 -11.345 9.737 8.544 802 2HA GLY 98 HA2 GLY 98 -10.400 9.319 7.120 803 H ILE 99 H ILE 99 -9.192 8.797 9.377 804 HA ILE 99 HA ILE 99 -9.379 5.875 9.590 805 HB ILE 99 HB ILE 99 -7.020 7.509 10.460 806 1HG1 ILE 99 2HG1 ILE 99 -7.413 6.337 7.702 807 2HG1 ILE 99 3HG1 ILE 99 -7.659 8.041 8.074 808 1HG2 ILE 99 1HG2 ILE 99 -7.565 4.640 9.808 809 2HG2 ILE 99 3HG2 ILE 99 -5.927 5.283 9.687 810 3HG2 ILE 99 2HG2 ILE 99 -6.782 5.336 11.229 811 1HD1 ILE 99 2HD1 ILE 99 -5.313 8.213 8.758 812 2HD1 ILE 99 1HD1 ILE 99 -5.078 6.512 8.352 813 3HD1 ILE 99 3HD1 ILE 99 -5.478 7.675 7.087 814 H LYS 100 H LYS 100 -9.248 4.847 11.583 815 HA LYS 100 HA LYS 100 -9.572 6.546 13.964 816 1HB LYS 100 HB2 LYS 100 -11.140 4.004 13.629 817 2HB LYS 100 HB3 LYS 100 -11.436 5.346 14.725 818 1HG LYS 100 HG2 LYS 100 -12.105 6.748 12.852 819 2HG LYS 100 HG3 LYS 100 -11.799 5.413 11.739 820 1HD LYS 100 HD2 LYS 100 -13.790 4.508 12.161 821 2HD LYS 100 HD3 LYS 100 -13.524 4.593 13.904 822 1HE LYS 100 HE2 LYS 100 -14.203 6.954 13.873 823 2HE LYS 100 HE3 LYS 100 -14.517 6.828 12.141 824 1HZ LYS 100 HZ2 LYS 100 -16.201 5.154 12.610 825 2HZ LYS 100 HZ1 LYS 100 -15.904 5.288 14.270 826 3HZ LYS 100 HZ3 LYS 100 -16.549 6.599 13.417 827 HA PRO 101 HA PRO 101 -6.593 4.069 16.046 828 1HB PRO 101 HB2 PRO 101 -8.584 3.669 18.221 829 2HB PRO 101 HB3 PRO 101 -6.940 4.306 18.304 830 1HG PRO 101 HG2 PRO 101 -9.026 5.943 18.493 831 2HG PRO 101 HG3 PRO 101 -7.585 6.421 17.577 832 1HD PRO 101 HD2 PRO 101 -10.233 5.442 16.585 833 2HD PRO 101 HD3 PRO 101 -9.184 6.716 15.930 834 H GLU 102 H GLU 102 -9.886 2.760 16.350 835 HA GLU 102 HA GLU 102 -9.138 0.104 16.846 836 1HB GLU 102 HB2 GLU 102 -11.477 -0.439 16.151 837 2HB GLU 102 HB3 GLU 102 -11.343 0.800 17.395 838 1HG GLU 102 HG2 GLU 102 -11.627 2.524 15.704 839 2HG GLU 102 HG3 GLU 102 -11.771 1.283 14.464 840 H ASN 103 H ASN 103 -8.946 1.896 13.976 841 HA ASN 103 HA ASN 103 -9.505 -0.068 12.046 842 1HB ASN 103 HB2 ASN 103 -7.664 2.324 11.953 843 2HB ASN 103 HB3 ASN 103 -8.019 1.318 10.554 844 1HD2 ASN 103 1HD2 ASN 103 -10.488 1.841 12.910 845 2HD2 ASN 103 2HD2 ASN 103 -11.443 2.932 11.973 846 H GLU 104 H GLU 104 -8.334 -1.667 11.135 847 HA GLU 104 HA GLU 104 -6.250 -2.868 12.533 848 1HB GLU 104 HB2 GLU 104 -7.939 -3.700 10.649 849 2HB GLU 104 HB3 GLU 104 -6.548 -3.387 9.619 850 1HG GLU 104 HG2 GLU 104 -5.282 -5.021 10.596 851 2HG GLU 104 HG3 GLU 104 -6.211 -4.994 12.094 852 H ARG 105 H ARG 105 -4.198 -3.561 11.105 853 HA ARG 105 HA ARG 105 -3.009 -1.458 9.565 854 1HB ARG 105 HB2 ARG 105 -2.384 -0.274 11.411 855 2HB ARG 105 HB3 ARG 105 -2.521 -1.664 12.476 856 1HG ARG 105 HG2 ARG 105 -0.284 -1.429 12.595 857 2HG ARG 105 HG3 ARG 105 -0.329 -2.373 11.103 858 1HD ARG 105 HD2 ARG 105 0.148 -0.562 9.782 859 2HD ARG 105 HD3 ARG 105 -0.566 0.588 10.912 860 HE ARG 105 HE ARG 105 1.866 -0.724 11.805 861 1HH1 ARG 105 1HH1 ARG 105 0.422 2.064 10.296 862 2HH1 ARG 105 2HH1 ARG 105 1.774 3.097 10.616 863 1HH2 ARG 105 1HH2 ARG 105 3.650 0.629 12.231 864 2HH2 ARG 105 2HH2 ARG 105 3.609 2.281 11.715 865 H TYR 106 H TYR 106 -0.781 -2.034 8.887 866 HA TYR 106 HA TYR 106 0.116 -4.727 9.458 867 1HB TYR 106 HB2 TYR 106 -1.376 -5.235 7.644 868 2HB TYR 106 HB3 TYR 106 -0.722 -3.925 6.665 869 HD1 TYR 106 HD1 TYR 106 -0.424 -7.357 7.672 870 HD2 TYR 106 HD2 TYR 106 1.646 -4.149 5.798 871 HE1 TYR 106 HE1 TYR 106 1.162 -8.953 6.706 872 HE2 TYR 106 HE2 TYR 106 3.245 -5.741 4.825 873 HH TYR 106 HH TYR 106 4.089 -8.009 5.269 874 H THR 107 H THR 107 2.171 -4.489 9.900 875 HA THR 107 HA THR 107 3.700 -2.371 8.585 876 HB THR 107 HB THR 107 5.297 -3.278 10.571 877 HG1 THR 107 HG1 THR 107 3.811 -4.724 11.412 878 1HG2 THR 107 3HG2 THR 107 4.654 -0.940 10.174 879 2HG2 THR 107 2HG2 THR 107 3.070 -1.263 10.875 880 3HG2 THR 107 1HG2 THR 107 4.514 -1.359 11.880 881 H LEU 108 H LEU 108 5.371 -2.837 7.247 882 HA LEU 108 HA LEU 108 6.107 -5.666 6.961 883 1HB LEU 108 HB2 LEU 108 5.318 -4.441 4.943 884 2HB LEU 108 HB3 LEU 108 6.714 -3.389 5.081 885 HG LEU 108 HG LEU 108 8.214 -5.254 4.672 886 1HD1 LEU 108 2HD1 LEU 108 5.714 -6.931 4.506 887 2HD1 LEU 108 1HD1 LEU 108 7.340 -7.472 4.090 888 3HD1 LEU 108 3HD1 LEU 108 6.959 -7.027 5.753 889 1HD2 LEU 108 3HD2 LEU 108 7.299 -4.035 2.752 890 2HD2 LEU 108 2HD2 LEU 108 7.627 -5.724 2.364 891 3HD2 LEU 108 1HD2 LEU 108 5.972 -5.192 2.660 892 H HIS 109 H HIS 109 7.738 -6.252 8.088 893 HA HIS 109 HA HIS 109 9.626 -4.759 9.422 894 1HB HIS 109 HB2 HIS 109 10.866 -6.997 9.471 895 2HB HIS 109 HB3 HIS 109 9.226 -6.986 10.087 896 HD1 HIS 109 HD1 HIS 109 11.368 -8.424 7.438 897 HD2 HIS 109 HD2 HIS 109 7.335 -8.317 8.426 898 HE1 HIS 109 HE1 HIS 109 10.286 -10.210 6.038 899 HE2 HIS 109 HE2 HIS 109 7.859 -10.182 6.713 900 H LEU 110 H LEU 110 10.338 -3.203 7.526 901 HA LEU 110 HA LEU 110 12.494 -4.526 6.009 902 1HB LEU 110 HB2 LEU 110 11.213 -1.918 5.245 903 2HB LEU 110 HB3 LEU 110 12.274 -2.922 4.288 904 HG LEU 110 HG LEU 110 9.499 -3.747 5.125 905 1HD1 LEU 110 3HD1 LEU 110 10.494 -2.563 2.539 906 2HD1 LEU 110 2HD1 LEU 110 8.911 -3.310 2.760 907 3HD1 LEU 110 1HD1 LEU 110 9.330 -1.850 3.655 908 1HD2 LEU 110 3HD2 LEU 110 11.017 -5.609 4.693 909 2HD2 LEU 110 2HD2 LEU 110 9.787 -5.485 3.436 910 3HD2 LEU 110 1HD2 LEU 110 11.426 -4.917 3.123 911 H ASN 111 H ASN 111 13.716 -4.147 8.097 912 HA ASN 111 HA ASN 111 14.620 -1.440 8.553 913 1HB ASN 111 HB2 ASN 111 14.435 -2.934 10.471 914 2HB ASN 111 HB3 ASN 111 15.528 -4.086 9.718 915 1HD2 ASN 111 1HD2 ASN 111 16.092 -0.681 9.470 916 2HD2 ASN 111 2HD2 ASN 111 17.452 -0.620 10.531 917 H VAL 112 H VAL 112 15.110 -1.575 6.113 918 HA VAL 112 HA VAL 112 17.028 -2.953 4.843 919 HB VAL 112 HB VAL 112 17.555 -0.618 3.736 920 1HG1 VAL 112 3HG1 VAL 112 16.198 -2.577 2.877 921 2HG1 VAL 112 2HG1 VAL 112 14.777 -1.735 3.501 922 3HG1 VAL 112 1HG1 VAL 112 15.770 -0.988 2.246 923 1HG2 VAL 112 3HG2 VAL 112 16.272 0.415 5.787 924 2HG2 VAL 112 2HG2 VAL 112 16.138 1.122 4.180 925 3HG2 VAL 112 1HG2 VAL 112 14.864 0.065 4.790 926 H LYS 113 H LYS 113 19.217 -2.979 4.621 927 HA LYS 113 HA LYS 113 20.745 -1.530 6.671 928 1HB LYS 113 HB2 LYS 113 21.417 -4.014 5.089 929 2HB LYS 113 HB3 LYS 113 22.485 -3.252 6.260 930 1HG LYS 113 HG2 LYS 113 19.735 -4.156 7.020 931 2HG LYS 113 HG3 LYS 113 21.105 -5.265 7.010 932 1HD LYS 113 HD2 LYS 113 22.300 -3.807 8.571 933 2HD LYS 113 HD3 LYS 113 20.936 -2.687 8.569 934 1HE LYS 113 HE2 LYS 113 20.888 -4.105 10.545 935 2HE LYS 113 HE3 LYS 113 19.500 -4.425 9.506 936 1HZ LYS 113 HZ1 LYS 113 21.974 -6.065 9.633 937 2HZ LYS 113 HZ3 LYS 113 20.485 -6.472 10.326 938 3HZ LYS 113 HZ2 LYS 113 20.637 -6.374 8.645 No H/Q in entry = 938 Start of MODEL 32 1 H1 GLY -2 HT1 GLY -2 -16.774 -24.533 14.104 2 H2 GLY -2 HT3 GLY -2 -18.354 -24.033 14.447 3 H3 GLY -2 HT2 GLY -2 -18.018 -24.848 13.003 4 1HA GLY -2 HA2 GLY -2 -17.018 -22.154 13.750 5 2HA GLY -2 HA3 GLY -2 -18.309 -22.482 12.605 6 H SER -1 H SER -1 -15.239 -21.547 12.728 7 HA SER -1 HA SER -1 -14.296 -23.149 10.470 8 1HB SER -1 HB2 SER -1 -15.451 -21.249 9.449 9 2HB SER -1 HB3 SER -1 -14.503 -20.129 10.427 10 HG SER -1 HG SER -1 -13.510 -21.911 8.453 11 H HIS 0 H HIS 0 -13.708 -22.007 13.429 12 HA HIS 0 HA HIS 0 -11.865 -21.723 14.727 13 1HB HIS 0 HB2 HIS 0 -10.483 -23.095 12.411 14 2HB HIS 0 HB3 HIS 0 -9.796 -22.867 14.016 15 HD1 HIS 0 HD1 HIS 0 -11.917 -25.119 12.060 16 HD2 HIS 0 HD2 HIS 0 -11.162 -24.377 16.077 17 HE1 HIS 0 HE1 HIS 0 -12.814 -27.118 13.292 18 HE2 HIS 0 HE2 HIS 0 -12.426 -26.607 15.729 19 H MET 1 H MET 1 -12.611 -19.669 12.709 20 HA MET 1 HA MET 1 -10.340 -18.480 11.576 21 1HB MET 1 HB2 MET 1 -12.899 -17.185 12.531 22 2HB MET 1 HB3 MET 1 -11.704 -16.411 11.499 23 1HG MET 1 HG2 MET 1 -12.095 -18.104 9.780 24 2HG MET 1 HG3 MET 1 -13.302 -18.867 10.813 25 1HE MET 1 HE2 MET 1 -15.602 -17.731 11.493 26 2HE MET 1 HE1 MET 1 -14.727 -16.335 12.120 27 3HE MET 1 HE3 MET 1 -16.072 -16.104 11.002 28 H ILE 2 H ILE 2 -9.509 -16.273 12.242 29 HA ILE 2 HA ILE 2 -8.430 -16.484 14.891 30 HB ILE 2 HB ILE 2 -7.256 -14.372 14.351 31 1HG1 ILE 2 2HG1 ILE 2 -8.664 -14.602 11.680 32 2HG1 ILE 2 3HG1 ILE 2 -9.058 -13.416 12.920 33 1HG2 ILE 2 3HG2 ILE 2 -6.264 -16.515 13.768 34 2HG2 ILE 2 2HG2 ILE 2 -7.106 -16.499 12.219 35 3HG2 ILE 2 1HG2 ILE 2 -5.863 -15.295 12.558 36 1HD1 ILE 2 1HD1 ILE 2 -6.815 -12.467 12.717 37 2HD1 ILE 2 3HD1 ILE 2 -6.438 -13.645 11.460 38 3HD1 ILE 2 2HD1 ILE 2 -7.689 -12.433 11.186 39 H ALA 3 H ALA 3 -10.993 -14.693 13.367 40 HA ALA 3 HA ALA 3 -12.557 -13.239 14.149 41 1HB ALA 3 HB3 ALA 3 -11.849 -14.450 16.818 42 2HB ALA 3 HB1 ALA 3 -13.026 -15.095 15.673 43 3HB ALA 3 HB2 ALA 3 -13.310 -13.535 16.445 44 HA PRO 4 HA PRO 4 -9.389 -10.009 15.047 45 1HB PRO 4 HB2 PRO 4 -11.615 -8.414 13.881 46 2HB PRO 4 HB3 PRO 4 -9.885 -8.362 13.524 47 1HG PRO 4 HG2 PRO 4 -11.587 -9.508 11.828 48 2HG PRO 4 HG3 PRO 4 -9.986 -10.209 12.123 49 1HD PRO 4 HD2 PRO 4 -12.657 -11.082 13.141 50 2HD PRO 4 HD3 PRO 4 -11.267 -12.063 12.630 51 H LEU 5 H LEU 5 -9.386 -9.645 17.190 52 HA LEU 5 HA LEU 5 -11.208 -7.769 18.315 53 1HB LEU 5 HB2 LEU 5 -12.621 -9.765 18.440 54 2HB LEU 5 HB3 LEU 5 -11.357 -10.617 19.306 55 HG LEU 5 HG LEU 5 -11.583 -8.958 21.159 56 1HD1 LEU 5 2HD1 LEU 5 -12.520 -7.114 19.867 57 2HD1 LEU 5 1HD1 LEU 5 -13.989 -8.048 19.587 58 3HD1 LEU 5 3HD1 LEU 5 -13.566 -7.539 21.222 59 1HD2 LEU 5 2HD2 LEU 5 -14.084 -10.468 20.415 60 2HD2 LEU 5 1HD2 LEU 5 -12.688 -11.123 21.272 61 3HD2 LEU 5 3HD2 LEU 5 -13.679 -9.873 22.025 62 H SER 6 H SER 6 -8.671 -10.148 18.744 63 HA SER 6 HA SER 6 -7.400 -8.357 20.690 64 1HB SER 6 HB2 SER 6 -7.630 -11.361 20.996 65 2HB SER 6 HB3 SER 6 -6.685 -10.299 22.041 66 HG SER 6 HG SER 6 -8.457 -10.046 23.120 67 H VAL 7 H VAL 7 -6.950 -11.246 18.658 68 HA VAL 7 HA VAL 7 -4.311 -10.187 17.910 69 HB VAL 7 HB VAL 7 -3.821 -11.970 19.420 70 1HG1 VAL 7 3HG1 VAL 7 -6.021 -13.065 19.364 71 2HG1 VAL 7 2HG1 VAL 7 -5.633 -13.736 17.781 72 3HG1 VAL 7 1HG1 VAL 7 -4.697 -14.218 19.194 73 1HG2 VAL 7 3HG2 VAL 7 -2.432 -11.872 17.415 74 2HG2 VAL 7 2HG2 VAL 7 -2.603 -13.529 17.991 75 3HG2 VAL 7 1HG2 VAL 7 -3.529 -12.982 16.594 76 H LYS 8 H LYS 8 -4.612 -9.551 15.869 77 HA LYS 8 HA LYS 8 -6.003 -11.356 14.025 78 1HB LYS 8 HB2 LYS 8 -6.088 -9.224 12.586 79 2HB LYS 8 HB3 LYS 8 -7.151 -9.330 13.976 80 1HG LYS 8 HG2 LYS 8 -4.491 -8.036 14.283 81 2HG LYS 8 HG3 LYS 8 -5.796 -7.154 13.487 82 1HD LYS 8 HD2 LYS 8 -7.220 -7.508 15.454 83 2HD LYS 8 HD3 LYS 8 -5.899 -8.364 16.251 84 1HE LYS 8 HE2 LYS 8 -4.527 -6.347 16.159 85 2HE LYS 8 HE3 LYS 8 -5.833 -5.489 15.341 86 1HZ LYS 8 HZ3 LYS 8 -7.215 -5.803 17.298 87 2HZ LYS 8 HZ2 LYS 8 -5.962 -6.624 18.082 88 3HZ LYS 8 HZ1 LYS 8 -5.789 -4.986 17.700 89 H ASP 9 H ASP 9 -3.033 -10.164 14.910 90 HA ASP 9 HA ASP 9 -0.930 -10.211 14.048 91 1HB ASP 9 HB2 ASP 9 -1.177 -12.551 14.016 92 2HB ASP 9 HB3 ASP 9 -2.228 -12.508 12.606 93 H ASN 10 H ASN 10 -0.416 -8.432 12.974 94 HA ASN 10 HA ASN 10 -0.923 -8.357 10.097 95 1HB ASN 10 HB2 ASN 10 -1.054 -5.714 10.814 96 2HB ASN 10 HB3 ASN 10 -2.432 -6.750 10.464 97 1HD2 ASN 10 1HD2 ASN 10 -0.583 -5.159 12.908 98 2HD2 ASN 10 2HD2 ASN 10 -1.678 -5.437 14.215 99 H ASP 11 H ASP 11 0.385 -5.813 12.067 100 HA ASP 11 HA ASP 11 2.471 -5.012 10.634 101 1HB ASP 11 HB2 ASP 11 3.637 -4.627 12.954 102 2HB ASP 11 HB3 ASP 11 2.157 -3.764 12.546 103 H LYS 12 H LYS 12 3.772 -6.292 9.528 104 HA LYS 12 HA LYS 12 5.035 -8.587 10.786 105 1HB LYS 12 HB2 LYS 12 4.279 -9.075 8.613 106 2HB LYS 12 HB3 LYS 12 4.885 -7.557 7.965 107 1HG LYS 12 HG2 LYS 12 7.144 -8.318 8.138 108 2HG LYS 12 HG3 LYS 12 6.633 -9.793 8.962 109 1HD LYS 12 HD2 LYS 12 5.472 -10.546 6.983 110 2HD LYS 12 HD3 LYS 12 5.832 -9.029 6.155 111 1HE LYS 12 HE2 LYS 12 8.220 -9.526 6.280 112 2HE LYS 12 HE3 LYS 12 7.865 -11.040 7.112 113 1HZ LYS 12 HZ1 LYS 12 7.006 -10.342 4.355 114 2HZ LYS 12 HZ3 LYS 12 8.267 -11.396 4.758 115 3HZ LYS 12 HZ2 LYS 12 6.673 -11.796 5.152 116 H TRP 13 H TRP 13 6.610 -7.946 12.128 117 HA TRP 13 HA TRP 13 8.422 -5.808 11.474 118 1HB TRP 13 HB2 TRP 13 8.777 -7.675 13.793 119 2HB TRP 13 HB3 TRP 13 9.128 -5.954 13.685 120 HD1 TRP 13 HD1 TRP 13 6.129 -8.347 14.044 121 HE1 TRP 13 HE1 TRP 13 4.168 -7.055 15.093 122 HE3 TRP 13 HE3 TRP 13 8.208 -3.675 14.178 123 HZ2 TRP 13 HZ2 TRP 13 3.566 -4.406 15.867 124 HZ3 TRP 13 HZ3 TRP 13 6.877 -1.822 15.099 125 HH2 TRP 13 HH2 TRP 13 4.610 -2.182 15.929 126 H VAL 14 H VAL 14 9.909 -6.229 9.919 127 HA VAL 14 HA VAL 14 11.784 -8.406 10.431 128 HB VAL 14 HB VAL 14 9.861 -9.327 9.028 129 1HG1 VAL 14 3HG1 VAL 14 11.183 -7.609 6.944 130 2HG1 VAL 14 2HG1 VAL 14 10.030 -8.897 6.600 131 3HG1 VAL 14 1HG1 VAL 14 9.523 -7.485 7.527 132 1HG2 VAL 14 1HG2 VAL 14 12.282 -10.206 9.259 133 2HG2 VAL 14 3HG2 VAL 14 11.237 -10.851 7.993 134 3HG2 VAL 14 2HG2 VAL 14 12.455 -9.640 7.595 135 H ASP 15 H ASP 15 13.408 -8.488 8.557 136 HA ASP 15 HA ASP 15 14.390 -5.770 8.160 137 1HB ASP 15 HB2 ASP 15 15.580 -8.494 8.243 138 2HB ASP 15 HB3 ASP 15 16.404 -7.280 7.266 139 H THR 16 H THR 16 15.866 -5.800 5.947 140 HA THR 16 HA THR 16 14.760 -7.126 3.709 141 HB THR 16 HB THR 16 12.905 -5.472 4.373 142 HG1 THR 16 HG1 THR 16 13.051 -6.533 2.315 143 1HG2 THR 16 3HG2 THR 16 14.366 -3.533 4.743 144 2HG2 THR 16 2HG2 THR 16 14.808 -3.551 3.036 145 3HG2 THR 16 1HG2 THR 16 13.146 -3.208 3.512 146 H HIS 17 H HIS 17 15.231 -5.613 1.629 147 HA HIS 17 HA HIS 17 17.995 -4.640 1.942 148 1HB HIS 17 HB2 HIS 17 16.689 -6.338 -0.142 149 2HB HIS 17 HB3 HIS 17 17.992 -5.265 -0.639 150 HD1 HIS 17 HD1 HIS 17 20.331 -6.057 -0.215 151 HD2 HIS 17 HD2 HIS 17 17.497 -8.294 1.841 152 HE1 HIS 17 HE1 HIS 17 21.596 -7.986 0.787 153 HE2 HIS 17 HE2 HIS 17 19.846 -9.371 1.957 154 H VAL 18 H VAL 18 18.229 -3.545 -0.660 155 HA VAL 18 HA VAL 18 16.544 -1.177 -0.304 156 HB VAL 18 HB VAL 18 18.987 -1.533 -2.047 157 1HG1 VAL 18 3HG1 VAL 18 17.419 0.941 -1.322 158 2HG1 VAL 18 2HG1 VAL 18 18.943 0.921 -2.209 159 3HG1 VAL 18 1HG1 VAL 18 17.504 0.183 -2.913 160 1HG2 VAL 18 3HG2 VAL 18 19.528 -1.689 0.325 161 2HG2 VAL 18 2HG2 VAL 18 20.138 -0.183 -0.361 162 3HG2 VAL 18 1HG2 VAL 18 18.677 -0.173 0.628 163 H GLY 19 H GLY 19 14.925 -0.706 -1.588 164 1HA GLY 19 HA3 GLY 19 14.830 -1.083 -4.375 165 2HA GLY 19 HA2 GLY 19 13.466 -0.706 -3.342 166 H LYS 20 H LYS 20 14.440 -3.390 -1.924 167 HA LYS 20 HA LYS 20 13.808 -5.447 -3.739 168 1HB LYS 20 HB2 LYS 20 14.717 -5.346 -1.151 169 2HB LYS 20 HB3 LYS 20 13.093 -5.966 -0.940 170 1HG LYS 20 HG2 LYS 20 14.324 -7.891 -1.169 171 2HG LYS 20 HG3 LYS 20 13.740 -7.624 -2.816 172 1HD LYS 20 HD2 LYS 20 15.812 -6.766 -3.521 173 2HD LYS 20 HD3 LYS 20 16.361 -6.553 -1.863 174 1HE LYS 20 HE2 LYS 20 15.873 -9.191 -3.243 175 2HE LYS 20 HE3 LYS 20 17.451 -8.471 -2.926 176 1HZ LYS 20 HZ2 LYS 20 17.004 -8.622 -0.556 177 2HZ LYS 20 HZ1 LYS 20 15.490 -9.311 -0.859 178 3HZ LYS 20 HZ3 LYS 20 16.900 -10.147 -1.280 179 H THR 21 H THR 21 11.989 -4.729 -4.864 180 HA THR 21 HA THR 21 9.613 -3.767 -3.943 181 HB THR 21 HB THR 21 9.699 -5.828 -6.135 182 HG1 THR 21 HG1 THR 21 11.106 -4.554 -7.067 183 1HG2 THR 21 2HG2 THR 21 7.496 -4.966 -5.511 184 2HG2 THR 21 1HG2 THR 21 8.070 -3.314 -5.731 185 3HG2 THR 21 3HG2 THR 21 7.960 -4.401 -7.117 186 H THR 22 H THR 22 8.775 -4.571 -2.084 187 HA THR 22 HA THR 22 8.267 -7.432 -1.857 188 HB THR 22 HB THR 22 7.747 -5.180 0.102 189 HG1 THR 22 HG1 THR 22 9.591 -7.217 0.596 190 1HG2 THR 22 3HG2 THR 22 7.512 -8.168 0.480 191 2HG2 THR 22 2HG2 THR 22 7.357 -6.956 1.752 192 3HG2 THR 22 1HG2 THR 22 6.174 -7.019 0.445 193 H GLU 23 H GLU 23 6.687 -7.873 -3.291 194 HA GLU 23 HA GLU 23 4.276 -6.319 -3.433 195 1HB GLU 23 HB2 GLU 23 5.340 -7.386 -5.405 196 2HB GLU 23 HB3 GLU 23 4.973 -8.960 -4.712 197 1HG GLU 23 HG2 GLU 23 2.642 -8.610 -4.922 198 2HG GLU 23 HG3 GLU 23 2.876 -6.904 -5.308 199 H ILE 24 H ILE 24 2.474 -6.669 -2.331 200 HA ILE 24 HA ILE 24 2.041 -9.309 -1.128 201 HB ILE 24 HB ILE 24 1.586 -6.673 0.246 202 1HG1 ILE 24 2HG1 ILE 24 3.570 -8.882 0.773 203 2HG1 ILE 24 3HG1 ILE 24 3.949 -7.275 0.168 204 1HG2 ILE 24 1HG2 ILE 24 -0.123 -8.343 0.786 205 2HG2 ILE 24 3HG2 ILE 24 1.141 -9.481 1.250 206 3HG2 ILE 24 2HG2 ILE 24 0.907 -7.997 2.174 207 1HD1 ILE 24 2HD1 ILE 24 3.163 -6.316 2.281 208 2HD1 ILE 24 1HD1 ILE 24 2.853 -7.943 2.886 209 3HD1 ILE 24 3HD1 ILE 24 4.501 -7.444 2.506 210 H HIS 25 H HIS 25 0.398 -10.005 -2.335 211 HA HIS 25 HA HIS 25 -1.860 -8.288 -2.927 212 1HB HIS 25 HB2 HIS 25 -1.905 -11.226 -3.448 213 2HB HIS 25 HB3 HIS 25 -2.566 -9.916 -4.410 214 HD1 HIS 25 HD1 HIS 25 0.303 -12.144 -4.179 215 HD2 HIS 25 HD2 HIS 25 -0.549 -8.473 -5.925 216 HE1 HIS 25 HE1 HIS 25 2.106 -11.782 -5.893 217 HE2 HIS 25 HE2 HIS 25 1.489 -9.620 -7.030 218 H LEU 26 H LEU 26 -3.471 -8.081 -1.542 219 HA LEU 26 HA LEU 26 -3.922 -10.231 0.420 220 1HB LEU 26 HB2 LEU 26 -4.524 -7.314 0.862 221 2HB LEU 26 HB3 LEU 26 -4.540 -8.596 2.055 222 HG LEU 26 HG LEU 26 -1.925 -8.369 0.836 223 1HD1 LEU 26 3HD1 LEU 26 -3.054 -5.889 2.123 224 2HD1 LEU 26 2HD1 LEU 26 -1.343 -6.175 1.803 225 3HD1 LEU 26 1HD1 LEU 26 -2.483 -6.052 0.463 226 1HD2 LEU 26 1HD2 LEU 26 -2.679 -9.400 3.064 227 2HD2 LEU 26 3HD2 LEU 26 -1.170 -8.486 3.035 228 3HD2 LEU 26 2HD2 LEU 26 -2.638 -7.745 3.684 229 H LYS 27 H LYS 27 -6.079 -10.647 1.021 230 HA LYS 27 HA LYS 27 -8.114 -9.489 -0.762 231 1HB LYS 27 HB2 LYS 27 -8.322 -12.291 0.274 232 2HB LYS 27 HB3 LYS 27 -9.101 -11.572 -1.127 233 1HG LYS 27 HG2 LYS 27 -6.810 -11.429 -2.176 234 2HG LYS 27 HG3 LYS 27 -6.239 -12.439 -0.845 235 1HD LYS 27 HD2 LYS 27 -7.836 -14.180 -1.469 236 2HD LYS 27 HD3 LYS 27 -8.422 -13.172 -2.794 237 1HE LYS 27 HE2 LYS 27 -6.200 -13.225 -3.815 238 2HE LYS 27 HE3 LYS 27 -5.614 -14.230 -2.491 239 1HZ LYS 27 HZ3 LYS 27 -7.751 -14.980 -4.412 240 2HZ LYS 27 HZ2 LYS 27 -6.161 -15.554 -4.434 241 3HZ LYS 27 HZ1 LYS 27 -7.183 -15.945 -3.145 242 H GLY 28 H GLY 28 -10.309 -9.505 0.161 243 1HA GLY 28 HA3 GLY 28 -10.184 -8.750 2.931 244 2HA GLY 28 HA2 GLY 28 -11.035 -10.252 2.673 245 H ASN 29 H ASN 29 -11.035 -7.335 0.673 246 HA ASN 29 HA ASN 29 -12.622 -5.768 0.247 247 1HB ASN 29 HB2 ASN 29 -14.530 -6.549 -0.813 248 2HB ASN 29 HB3 ASN 29 -13.451 -7.938 -0.937 249 1HD2 ASN 29 1HD2 ASN 29 -16.281 -6.617 0.558 250 2HD2 ASN 29 2HD2 ASN 29 -16.887 -8.106 1.200 251 HA PRO 30 HA PRO 30 -13.986 -5.038 4.493 252 1HB PRO 30 HB2 PRO 30 -14.260 -2.353 4.227 253 2HB PRO 30 HB3 PRO 30 -12.693 -3.129 4.476 254 1HG PRO 30 HG2 PRO 30 -13.951 -2.188 1.922 255 2HG PRO 30 HG3 PRO 30 -12.290 -1.955 2.498 256 1HD PRO 30 HD2 PRO 30 -12.916 -3.858 0.698 257 2HD PRO 30 HD3 PRO 30 -11.658 -4.106 1.925 258 H THR 31 H THR 31 -15.767 -2.807 4.806 259 HA THR 31 HA THR 31 -18.226 -4.037 4.013 260 HB THR 31 HB THR 31 -19.335 -2.184 5.103 261 HG1 THR 31 HG1 THR 31 -16.946 -0.914 4.568 262 1HG2 THR 31 2HG2 THR 31 -18.363 -3.870 6.581 263 2HG2 THR 31 1HG2 THR 31 -16.851 -2.962 6.636 264 3HG2 THR 31 3HG2 THR 31 -18.319 -2.275 7.334 265 H THR 32 H THR 32 -16.246 -3.091 1.997 266 HA THR 32 HA THR 32 -16.197 -2.219 -0.070 267 HB THR 32 HB THR 32 -18.178 -2.083 -1.344 268 HG1 THR 32 HG1 THR 32 -19.754 -0.983 -0.444 269 1HG2 THR 32 3HG2 THR 32 -17.613 -4.336 -0.541 270 2HG2 THR 32 2HG2 THR 32 -18.655 -4.088 0.863 271 3HG2 THR 32 1HG2 THR 32 -19.357 -4.144 -0.756 272 H GLY 33 H GLY 33 -16.123 -0.601 2.400 273 1HA GLY 33 HA3 GLY 33 -17.030 1.746 2.794 274 2HA GLY 33 HA2 GLY 33 -16.518 2.029 1.135 275 H TYR 34 H TYR 34 -14.777 0.045 3.466 276 HA TYR 34 HA TYR 34 -12.899 2.093 4.167 277 1HB TYR 34 HB2 TYR 34 -12.744 -0.903 4.545 278 2HB TYR 34 HB3 TYR 34 -11.634 0.261 5.250 279 HD1 TYR 34 HD1 TYR 34 -15.194 -0.801 5.219 280 HD2 TYR 34 HD2 TYR 34 -12.119 1.313 7.299 281 HE1 TYR 34 HE1 TYR 34 -16.664 -0.583 7.181 282 HE2 TYR 34 HE2 TYR 34 -13.592 1.527 9.256 283 HH TYR 34 HH TYR 34 -15.993 1.502 9.771 284 H MET 35 H MET 35 -10.439 0.856 4.002 285 HA MET 35 HA MET 35 -9.918 -0.026 1.338 286 1HB MET 35 HB2 MET 35 -9.938 2.185 0.661 287 2HB MET 35 HB3 MET 35 -9.398 2.775 2.229 288 1HG MET 35 HG2 MET 35 -7.175 1.891 1.796 289 2HG MET 35 HG3 MET 35 -7.721 1.307 0.242 290 1HE MET 35 HE1 MET 35 -9.615 3.638 -0.763 291 2HE MET 35 HE3 MET 35 -8.487 4.620 -1.696 292 3HE MET 35 HE2 MET 35 -8.415 2.861 -1.797 293 H TRP 36 H TRP 36 -7.823 -0.784 1.078 294 HA TRP 36 HA TRP 36 -6.288 -1.098 3.568 295 1HB TRP 36 HB2 TRP 36 -6.935 -2.871 1.351 296 2HB TRP 36 HB3 TRP 36 -5.211 -2.811 1.674 297 HD1 TRP 36 HD1 TRP 36 -7.849 -4.975 2.436 298 HE1 TRP 36 HE1 TRP 36 -7.614 -6.139 4.713 299 HE3 TRP 36 HE3 TRP 36 -4.359 -1.905 4.545 300 HZ2 TRP 36 HZ2 TRP 36 -6.149 -5.797 7.095 301 HZ3 TRP 36 HZ3 TRP 36 -3.593 -2.396 6.828 302 HH2 TRP 36 HH2 TRP 36 -4.472 -4.299 8.075 303 H THR 37 H THR 37 -5.261 0.954 3.362 304 HA THR 37 HA THR 37 -3.148 0.947 1.321 305 HB THR 37 HB THR 37 -5.079 2.415 0.619 306 HG1 THR 37 HG1 THR 37 -2.858 4.084 0.997 307 1HG2 THR 37 2HG2 THR 37 -5.631 3.293 2.843 308 2HG2 THR 37 1HG2 THR 37 -4.074 4.120 2.902 309 3HG2 THR 37 3HG2 THR 37 -5.280 4.592 1.704 310 H ARG 38 H ARG 38 -1.954 3.411 1.993 311 HA ARG 38 HA ARG 38 -0.738 2.655 4.512 312 1HB ARG 38 HB2 ARG 38 0.017 4.403 2.234 313 2HB ARG 38 HB3 ARG 38 0.676 4.808 3.805 314 1HG ARG 38 HG2 ARG 38 1.761 2.746 4.005 315 2HG ARG 38 HG3 ARG 38 0.900 2.082 2.614 316 1HD ARG 38 HD2 ARG 38 3.292 2.825 2.258 317 2HD ARG 38 HD3 ARG 38 2.116 3.388 1.100 318 HE ARG 38 HE ARG 38 2.218 5.548 2.212 319 1HH1 ARG 38 1HH1 ARG 38 4.705 3.240 3.007 320 2HH1 ARG 38 2HH1 ARG 38 5.858 4.444 3.477 321 1HH2 ARG 38 1HH2 ARG 38 3.748 7.146 2.813 322 2HH2 ARG 38 2HH2 ARG 38 5.313 6.660 3.369 323 H VAL 39 H VAL 39 -0.338 4.170 6.231 324 HA VAL 39 HA VAL 39 -2.686 5.619 6.956 325 HB VAL 39 HB VAL 39 0.005 5.627 8.330 326 1HG1 VAL 39 1HG1 VAL 39 -2.753 6.303 9.345 327 2HG1 VAL 39 3HG1 VAL 39 -1.291 6.224 10.329 328 3HG1 VAL 39 2HG1 VAL 39 -1.435 7.440 9.059 329 1HG2 VAL 39 3HG2 VAL 39 -1.138 3.363 7.928 330 2HG2 VAL 39 2HG2 VAL 39 -0.625 3.759 9.569 331 3HG2 VAL 39 1HG2 VAL 39 -2.324 3.913 9.112 332 H GLY 40 H GLY 40 -3.135 7.737 6.825 333 1HA GLY 40 HA3 GLY 40 -1.063 9.731 6.616 334 2HA GLY 40 HA2 GLY 40 -2.796 10.021 6.617 335 H PHE 41 H PHE 41 -2.648 7.779 4.382 336 HA PHE 41 HA PHE 41 -2.263 9.721 2.212 337 1HB PHE 41 HB2 PHE 41 -1.362 6.837 2.134 338 2HB PHE 41 HB3 PHE 41 -1.164 8.031 0.854 339 HD1 PHE 41 HD1 PHE 41 0.278 6.544 3.717 340 HD2 PHE 41 HD2 PHE 41 0.211 10.129 1.436 341 HE1 PHE 41 HE1 PHE 41 2.422 7.218 4.725 342 HE2 PHE 41 HE2 PHE 41 2.358 10.812 2.430 343 HZ PHE 41 HZ PHE 41 3.464 9.355 4.081 344 H VAL 42 H VAL 42 -4.248 7.628 3.783 345 HA VAL 42 HA VAL 42 -5.681 6.270 1.853 346 HB VAL 42 HB VAL 42 -6.905 7.611 4.266 347 1HG1 VAL 42 1HG1 VAL 42 -8.388 6.545 2.507 348 2HG1 VAL 42 3HG1 VAL 42 -7.670 5.005 2.979 349 3HG1 VAL 42 2HG1 VAL 42 -8.578 5.954 4.157 350 1HG2 VAL 42 3HG2 VAL 42 -4.749 6.210 4.588 351 2HG2 VAL 42 2HG2 VAL 42 -6.137 5.914 5.630 352 3HG2 VAL 42 1HG2 VAL 42 -5.806 4.834 4.279 353 H GLY 43 H GLY 43 -6.495 7.050 0.029 354 1HA GLY 43 HA3 GLY 43 -8.116 9.505 0.159 355 2HA GLY 43 HA2 GLY 43 -8.282 8.239 -1.049 356 H LYS 44 H LYS 44 -5.174 9.453 -0.056 357 HA LYS 44 HA LYS 44 -4.869 11.430 -2.054 358 1HB LYS 44 HB2 LYS 44 -2.840 9.880 -0.442 359 2HB LYS 44 HB3 LYS 44 -2.444 11.244 -1.471 360 1HG LYS 44 HG2 LYS 44 -3.979 12.643 -0.096 361 2HG LYS 44 HG3 LYS 44 -4.171 11.266 0.992 362 1HD LYS 44 HD2 LYS 44 -1.752 11.264 1.404 363 2HD LYS 44 HD3 LYS 44 -1.576 12.660 0.336 364 1HE LYS 44 HE2 LYS 44 -3.021 13.970 1.814 365 2HE LYS 44 HE3 LYS 44 -3.192 12.578 2.882 366 1HZ LYS 44 HZ3 LYS 44 -0.804 12.643 3.278 367 2HZ LYS 44 HZ2 LYS 44 -0.655 13.995 2.272 368 3HZ LYS 44 HZ1 LYS 44 -1.531 14.107 3.714 369 H ASP 45 H ASP 45 -2.905 11.221 -3.615 370 HA ASP 45 HA ASP 45 -3.522 9.113 -5.446 371 1HB ASP 45 HB2 ASP 45 -1.594 11.420 -5.452 372 2HB ASP 45 HB3 ASP 45 -1.579 10.211 -6.727 373 H VAL 46 H VAL 46 -0.432 10.161 -4.037 374 HA VAL 46 HA VAL 46 0.585 7.421 -4.299 375 HB VAL 46 HB VAL 46 1.924 9.285 -5.256 376 1HG1 VAL 46 3HG1 VAL 46 1.387 10.999 -3.611 377 2HG1 VAL 46 2HG1 VAL 46 2.264 10.098 -2.374 378 3HG1 VAL 46 1HG1 VAL 46 3.132 10.784 -3.748 379 1HG2 VAL 46 3HG2 VAL 46 3.218 7.790 -2.978 380 2HG2 VAL 46 2HG2 VAL 46 3.003 7.200 -4.626 381 3HG2 VAL 46 1HG2 VAL 46 4.073 8.567 -4.312 382 H LEU 47 H LEU 47 1.334 6.257 -2.605 383 HA LEU 47 HA LEU 47 0.424 7.111 0.023 384 1HB LEU 47 HB2 LEU 47 1.631 4.460 -0.677 385 2HB LEU 47 HB3 LEU 47 0.587 4.845 0.673 386 HG LEU 47 HG LEU 47 -0.245 4.759 -2.231 387 1HD1 LEU 47 1HD1 LEU 47 -0.788 2.886 0.068 388 2HD1 LEU 47 3HD1 LEU 47 -1.589 2.812 -1.502 389 3HD1 LEU 47 2HD1 LEU 47 0.151 2.540 -1.385 390 1HD2 LEU 47 1HD2 LEU 47 -1.829 5.313 0.271 391 2HD2 LEU 47 3HD2 LEU 47 -1.530 6.423 -1.067 392 3HD2 LEU 47 2HD2 LEU 47 -2.533 4.993 -1.314 393 H SER 48 H SER 48 3.353 5.763 -1.460 394 HA SER 48 HA SER 48 5.020 6.179 0.777 395 1HB SER 48 HB2 SER 48 6.855 5.776 -0.831 396 2HB SER 48 HB3 SER 48 5.581 4.572 -0.963 397 HG SER 48 HG SER 48 4.753 5.936 -2.716 398 H ASP 49 H ASP 49 7.261 7.454 -0.112 399 HA ASP 49 HA ASP 49 6.548 10.096 -1.071 400 1HB ASP 49 HB2 ASP 49 7.562 9.603 1.725 401 2HB ASP 49 HB3 ASP 49 7.720 11.163 0.921 402 H GLU 50 H GLU 50 9.315 9.295 0.933 403 HA GLU 50 HA GLU 50 11.036 9.263 -1.446 404 1HB GLU 50 HB2 GLU 50 12.599 10.761 -0.367 405 2HB GLU 50 HB3 GLU 50 11.008 11.511 -0.415 406 1HG GLU 50 HG2 GLU 50 10.633 10.939 1.907 407 2HG GLU 50 HG3 GLU 50 12.198 10.130 1.978 408 H ILE 51 H ILE 51 10.481 8.348 1.876 409 HA ILE 51 HA ILE 51 12.937 6.960 2.274 410 HB ILE 51 HB ILE 51 10.332 6.537 3.729 411 1HG1 ILE 51 2HG1 ILE 51 11.016 8.932 3.632 412 2HG1 ILE 51 3HG1 ILE 51 10.997 8.261 5.255 413 1HG2 ILE 51 3HG2 ILE 51 13.197 6.043 4.518 414 2HG2 ILE 51 2HG2 ILE 51 11.810 5.890 5.597 415 3HG2 ILE 51 1HG2 ILE 51 11.961 4.826 4.198 416 1HD1 ILE 51 3HD1 ILE 51 13.460 8.613 3.565 417 2HD1 ILE 51 2HD1 ILE 51 12.934 9.714 4.840 418 3HD1 ILE 51 1HD1 ILE 51 13.402 8.061 5.239 419 H LEU 52 H LEU 52 9.830 5.383 2.646 420 HA LEU 52 HA LEU 52 10.868 3.084 1.165 421 1HB LEU 52 HB2 LEU 52 9.393 3.371 3.542 422 2HB LEU 52 HB3 LEU 52 8.298 2.649 2.380 423 HG LEU 52 HG LEU 52 10.988 1.571 3.199 424 1HD1 LEU 52 1HD1 LEU 52 9.269 1.294 4.904 425 2HD1 LEU 52 3HD1 LEU 52 8.195 0.558 3.713 426 3HD1 LEU 52 2HD1 LEU 52 9.690 -0.255 4.176 427 1HD2 LEU 52 3HD2 LEU 52 8.961 0.502 1.243 428 2HD2 LEU 52 2HD2 LEU 52 10.584 1.078 0.870 429 3HD2 LEU 52 1HD2 LEU 52 10.367 -0.386 1.829 430 H GLU 53 H GLU 53 10.404 3.201 -0.981 431 HA GLU 53 HA GLU 53 8.186 4.528 -2.091 432 1HB GLU 53 HB2 GLU 53 10.252 3.766 -3.347 433 2HB GLU 53 HB3 GLU 53 9.601 2.138 -3.288 434 1HG GLU 53 HG2 GLU 53 7.629 2.890 -4.532 435 2HG GLU 53 HG3 GLU 53 8.323 4.507 -4.626 436 H VAL 54 H VAL 54 6.122 3.768 -2.693 437 HA VAL 54 HA VAL 54 5.485 1.003 -2.018 438 HB VAL 54 HB VAL 54 3.842 3.260 -0.880 439 1HG1 VAL 54 1HG1 VAL 54 2.617 1.195 -1.376 440 2HG1 VAL 54 3HG1 VAL 54 3.763 0.286 -0.390 441 3HG1 VAL 54 2HG1 VAL 54 2.720 1.495 0.359 442 1HG2 VAL 54 3HG2 VAL 54 6.030 1.611 0.335 443 2HG2 VAL 54 2HG2 VAL 54 5.793 3.356 0.392 444 3HG2 VAL 54 1HG2 VAL 54 4.743 2.294 1.326 445 H VAL 55 H VAL 55 5.222 0.777 -4.286 446 HA VAL 55 HA VAL 55 3.086 2.256 -5.573 447 HB VAL 55 HB VAL 55 4.611 -0.109 -6.650 448 1HG1 VAL 55 2HG1 VAL 55 2.425 0.515 -7.707 449 2HG1 VAL 55 1HG1 VAL 55 3.149 2.064 -8.133 450 3HG1 VAL 55 3HG1 VAL 55 3.815 0.569 -8.793 451 1HG2 VAL 55 2HG2 VAL 55 5.195 2.834 -6.966 452 2HG2 VAL 55 1HG2 VAL 55 6.172 1.668 -6.075 453 3HG2 VAL 55 3HG2 VAL 55 6.016 1.531 -7.825 454 H CYS 56 H CYS 56 1.389 1.618 -4.236 455 HA CYS 56 HA CYS 56 0.604 -1.203 -4.322 456 1HB CYS 56 HB2 CYS 56 0.631 -0.421 -2.088 457 2HB CYS 56 HB3 CYS 56 -0.190 1.074 -2.521 458 HG CYS 56 HG CYS 56 -2.557 -0.497 -3.288 459 H LYS 57 H LYS 57 -1.137 -1.882 -5.384 460 HA LYS 57 HA LYS 57 -2.863 0.158 -6.612 461 1HB LYS 57 HB2 LYS 57 -2.417 -2.616 -7.688 462 2HB LYS 57 HB3 LYS 57 -3.145 -1.244 -8.507 463 1HG LYS 57 HG2 LYS 57 -1.022 -0.120 -8.626 464 2HG LYS 57 HG3 LYS 57 -0.257 -1.393 -7.672 465 1HD LYS 57 HD2 LYS 57 -0.746 -3.011 -9.441 466 2HD LYS 57 HD3 LYS 57 -1.509 -1.738 -10.396 467 1HE LYS 57 HE2 LYS 57 1.380 -1.819 -9.535 468 2HE LYS 57 HE3 LYS 57 0.772 -2.167 -11.153 469 1HZ LYS 57 HZ1 LYS 57 -0.038 0.105 -11.299 470 2HZ LYS 57 HZ3 LYS 57 0.547 0.439 -9.746 471 3HZ LYS 57 HZ2 LYS 57 1.626 0.083 -10.999 472 H TYR 58 H TYR 58 -4.843 0.190 -5.882 473 HA TYR 58 HA TYR 58 -5.884 -2.057 -4.350 474 1HB TYR 58 HB2 TYR 58 -6.034 0.388 -3.592 475 2HB TYR 58 HB3 TYR 58 -7.249 0.593 -4.849 476 HD1 TYR 58 HD1 TYR 58 -8.866 -1.821 -4.651 477 HD2 TYR 58 HD2 TYR 58 -7.093 0.525 -1.550 478 HE1 TYR 58 HE1 TYR 58 -10.610 -2.593 -3.098 479 HE2 TYR 58 HE2 TYR 58 -8.855 -0.236 -0.003 480 HH TYR 58 HH TYR 58 -11.146 -1.115 -0.089 481 H THR 59 H THR 59 -6.441 -3.597 -5.834 482 HA THR 59 HA THR 59 -8.124 -2.848 -8.103 483 HB THR 59 HB THR 59 -6.958 -5.555 -7.421 484 HG1 THR 59 HG1 THR 59 -6.015 -3.503 -9.168 485 1HG2 THR 59 2HG2 THR 59 -8.151 -4.479 -9.982 486 2HG2 THR 59 1HG2 THR 59 -7.412 -6.067 -9.781 487 3HG2 THR 59 3HG2 THR 59 -8.893 -5.667 -8.911 488 HA PRO 60 HA PRO 60 -11.549 -4.582 -5.742 489 1HB PRO 60 HB2 PRO 60 -13.310 -2.684 -6.326 490 2HB PRO 60 HB3 PRO 60 -11.949 -2.329 -5.262 491 1HG PRO 60 HG2 PRO 60 -12.407 -1.515 -8.075 492 2HG PRO 60 HG3 PRO 60 -11.455 -0.716 -6.814 493 1HD PRO 60 HD2 PRO 60 -10.543 -2.479 -8.894 494 2HD PRO 60 HD3 PRO 60 -9.585 -1.634 -7.663 495 H THR 61 H THR 61 -11.445 -6.374 -7.344 496 HA THR 61 HA THR 61 -12.463 -6.321 -9.915 497 HB THR 61 HB THR 61 -13.104 -8.759 -8.372 498 HG1 THR 61 HG1 THR 61 -10.607 -9.074 -8.557 499 1HG2 THR 61 3HG2 THR 61 -11.494 -8.196 -10.863 500 2HG2 THR 61 2HG2 THR 61 -11.847 -9.804 -10.230 501 3HG2 THR 61 1HG2 THR 61 -13.160 -8.769 -10.795 502 HA PRO 62 HA PRO 62 -16.831 -5.911 -9.188 503 1HB PRO 62 HB2 PRO 62 -17.615 -5.873 -11.745 504 2HB PRO 62 HB3 PRO 62 -16.660 -4.556 -11.057 505 1HG PRO 62 HG2 PRO 62 -15.839 -6.724 -12.908 506 2HG PRO 62 HG3 PRO 62 -15.206 -5.078 -12.750 507 1HD PRO 62 HD2 PRO 62 -14.093 -7.454 -11.670 508 2HD PRO 62 HD3 PRO 62 -13.564 -5.786 -11.378 509 H SER 63 H SER 63 -18.759 -7.110 -9.299 510 HA SER 63 HA SER 63 -18.386 -9.947 -9.894 511 1HB SER 63 HB2 SER 63 -20.582 -10.091 -8.567 512 2HB SER 63 HB3 SER 63 -19.126 -9.660 -7.676 513 HG SER 63 HG SER 63 -21.349 -8.115 -8.341 514 H SER 64 H SER 64 -20.934 -10.805 -10.220 515 HA SER 64 HA SER 64 -21.766 -9.485 -12.718 516 1HB SER 64 HB2 SER 64 -22.072 -12.386 -11.902 517 2HB SER 64 HB3 SER 64 -22.644 -11.686 -13.417 518 HG SER 64 HG SER 64 -20.704 -12.434 -13.968 519 H THR 65 H THR 65 -23.331 -11.802 -10.514 520 HA THR 65 HA THR 65 -25.326 -9.885 -9.738 521 HB THR 65 HB THR 65 -26.200 -12.245 -11.406 522 HG1 THR 65 HG1 THR 65 -26.977 -9.777 -12.245 523 1HG2 THR 65 1HG2 THR 65 -27.806 -10.054 -10.087 524 2HG2 THR 65 3HG2 THR 65 -28.449 -11.286 -11.172 525 3HG2 THR 65 2HG2 THR 65 -27.777 -11.751 -9.609 526 HA PRO 66 HA PRO 66 -25.935 -13.904 -7.270 527 1HB PRO 66 HB2 PRO 66 -24.463 -16.110 -8.299 528 2HB PRO 66 HB3 PRO 66 -26.204 -15.849 -8.399 529 1HG PRO 66 HG2 PRO 66 -24.461 -15.858 -10.561 530 2HG PRO 66 HG3 PRO 66 -26.082 -15.143 -10.556 531 1HD PRO 66 HD2 PRO 66 -23.425 -13.815 -10.207 532 2HD PRO 66 HD3 PRO 66 -24.865 -13.243 -11.078 533 H MET 67 H MET 67 -23.660 -12.110 -7.246 534 HA MET 67 HA MET 67 -22.216 -13.122 -5.073 535 1HB MET 67 HB2 MET 67 -21.223 -14.534 -6.923 536 2HB MET 67 HB3 MET 67 -20.594 -13.050 -7.626 537 1HG MET 67 HG2 MET 67 -19.348 -12.639 -5.541 538 2HG MET 67 HG3 MET 67 -19.910 -14.192 -4.929 539 1HE MET 67 HE1 MET 67 -18.858 -13.282 -8.617 540 2HE MET 67 HE3 MET 67 -17.723 -12.365 -7.626 541 3HE MET 67 HE2 MET 67 -17.150 -13.719 -8.599 542 H VAL 68 H VAL 68 -23.616 -10.819 -6.053 543 HA VAL 68 HA VAL 68 -22.291 -8.655 -6.938 544 HB VAL 68 HB VAL 68 -24.669 -8.737 -6.248 545 1HG1 VAL 68 3HG1 VAL 68 -24.392 -9.743 -4.048 546 2HG1 VAL 68 2HG1 VAL 68 -23.560 -8.297 -3.477 547 3HG1 VAL 68 1HG1 VAL 68 -25.262 -8.212 -3.930 548 1HG2 VAL 68 1HG2 VAL 68 -23.069 -6.415 -5.166 549 2HG2 VAL 68 3HG2 VAL 68 -23.626 -6.616 -6.828 550 3HG2 VAL 68 2HG2 VAL 68 -24.795 -6.388 -5.527 551 H GLY 69 H GLY 69 -20.834 -7.197 -6.261 552 1HA GLY 69 HA3 GLY 69 -19.379 -7.836 -3.793 553 2HA GLY 69 HA2 GLY 69 -19.968 -6.195 -4.019 554 H VAL 70 H VAL 70 -18.373 -4.886 -4.593 555 HA VAL 70 HA VAL 70 -16.740 -5.502 -6.892 556 HB VAL 70 HB VAL 70 -17.708 -3.218 -6.366 557 1HG1 VAL 70 2HG1 VAL 70 -17.133 -3.139 -3.998 558 2HG1 VAL 70 1HG1 VAL 70 -15.418 -3.127 -4.409 559 3HG1 VAL 70 3HG1 VAL 70 -16.444 -1.769 -4.868 560 1HG2 VAL 70 3HG2 VAL 70 -14.752 -3.449 -6.909 561 2HG2 VAL 70 2HG2 VAL 70 -16.054 -3.499 -8.097 562 3HG2 VAL 70 1HG2 VAL 70 -15.727 -2.011 -7.209 563 H GLY 71 H GLY 71 -16.429 -7.036 -4.344 564 1HA GLY 71 HA3 GLY 71 -14.747 -7.951 -3.090 565 2HA GLY 71 HA2 GLY 71 -14.053 -6.339 -3.026 566 H GLY 72 H GLY 72 -11.986 -6.503 -3.511 567 1HA GLY 72 HA3 GLY 72 -10.625 -6.623 -5.670 568 2HA GLY 72 HA2 GLY 72 -11.163 -8.295 -5.706 569 H ILE 73 H ILE 73 -8.506 -6.649 -5.177 570 HA ILE 73 HA ILE 73 -7.730 -8.091 -2.746 571 HB ILE 73 HB ILE 73 -5.575 -8.659 -3.677 572 1HG1 ILE 73 2HG1 ILE 73 -5.956 -8.413 -6.457 573 2HG1 ILE 73 3HG1 ILE 73 -6.349 -6.849 -5.748 574 1HG2 ILE 73 3HG2 ILE 73 -7.551 -10.199 -3.882 575 2HG2 ILE 73 2HG2 ILE 73 -7.624 -9.720 -5.579 576 3HG2 ILE 73 1HG2 ILE 73 -6.180 -10.519 -4.947 577 1HD1 ILE 73 2HD1 ILE 73 -4.176 -6.887 -4.568 578 2HD1 ILE 73 1HD1 ILE 73 -3.782 -8.383 -5.413 579 3HD1 ILE 73 3HD1 ILE 73 -4.022 -6.892 -6.326 580 H TYR 74 H TYR 74 -5.143 -7.365 -2.581 581 HA TYR 74 HA TYR 74 -4.989 -4.465 -2.813 582 1HB TYR 74 HB2 TYR 74 -4.401 -5.789 -0.171 583 2HB TYR 74 HB3 TYR 74 -4.646 -4.079 -0.507 584 HD1 TYR 74 HD1 TYR 74 -6.265 -7.180 0.441 585 HD2 TYR 74 HD2 TYR 74 -6.927 -3.269 -1.102 586 HE1 TYR 74 HE1 TYR 74 -8.633 -7.355 1.026 587 HE2 TYR 74 HE2 TYR 74 -9.291 -3.448 -0.506 588 HH TYR 74 HH TYR 74 -10.966 -5.176 -0.111 589 H VAL 75 H VAL 75 -3.234 -4.625 -4.223 590 HA VAL 75 HA VAL 75 -0.955 -6.234 -3.346 591 HB VAL 75 HB VAL 75 -1.651 -6.615 -5.651 592 1HG1 VAL 75 2HG1 VAL 75 -1.062 -3.690 -6.060 593 2HG1 VAL 75 1HG1 VAL 75 -1.378 -4.853 -7.347 594 3HG1 VAL 75 3HG1 VAL 75 -2.638 -4.474 -6.173 595 1HG2 VAL 75 1HG2 VAL 75 0.706 -6.859 -5.095 596 2HG2 VAL 75 3HG2 VAL 75 0.512 -6.270 -6.747 597 3HG2 VAL 75 2HG2 VAL 75 0.981 -5.156 -5.463 598 H VAL 76 H VAL 76 0.747 -5.352 -2.484 599 HA VAL 76 HA VAL 76 1.154 -2.444 -2.773 600 HB VAL 76 HB VAL 76 1.806 -4.107 -0.340 601 1HG1 VAL 76 2HG1 VAL 76 1.916 -1.139 -0.860 602 2HG1 VAL 76 1HG1 VAL 76 2.093 -1.881 0.730 603 3HG1 VAL 76 3HG1 VAL 76 3.273 -2.217 -0.537 604 1HG2 VAL 76 3HG2 VAL 76 -0.633 -3.878 -0.752 605 2HG2 VAL 76 2HG2 VAL 76 -0.092 -3.109 0.739 606 3HG2 VAL 76 1HG2 VAL 76 -0.441 -2.127 -0.684 607 H LEU 77 H LEU 77 3.018 -1.903 -3.721 608 HA LEU 77 HA LEU 77 5.251 -3.814 -3.649 609 1HB LEU 77 HB2 LEU 77 4.730 -1.492 -5.506 610 2HB LEU 77 HB3 LEU 77 6.186 -2.471 -5.534 611 HG LEU 77 HG LEU 77 3.368 -3.408 -6.132 612 1HD1 LEU 77 3HD1 LEU 77 5.788 -3.083 -7.902 613 2HD1 LEU 77 2HD1 LEU 77 4.233 -3.756 -8.392 614 3HD1 LEU 77 1HD1 LEU 77 4.349 -2.064 -7.911 615 1HD2 LEU 77 1HD2 LEU 77 5.059 -5.007 -4.955 616 2HD2 LEU 77 3HD2 LEU 77 4.131 -5.566 -6.349 617 3HD2 LEU 77 2HD2 LEU 77 5.810 -5.068 -6.552 618 H VAL 78 H VAL 78 6.210 -3.323 -1.725 619 HA VAL 78 HA VAL 78 6.827 -0.525 -1.171 620 HB VAL 78 HB VAL 78 7.910 -2.333 0.785 621 1HG1 VAL 78 3HG1 VAL 78 7.382 0.029 1.169 622 2HG1 VAL 78 2HG1 VAL 78 5.669 -0.301 0.905 623 3HG1 VAL 78 1HG1 VAL 78 6.501 -1.004 2.294 624 1HG2 VAL 78 2HG2 VAL 78 4.976 -2.663 0.182 625 2HG2 VAL 78 1HG2 VAL 78 6.221 -3.901 0.026 626 3HG2 VAL 78 3HG2 VAL 78 5.800 -3.271 1.617 627 H LYS 79 H LYS 79 8.493 0.142 -2.356 628 HA LYS 79 HA LYS 79 10.884 -1.530 -2.588 629 1HB LYS 79 HB2 LYS 79 9.594 0.540 -4.236 630 2HB LYS 79 HB3 LYS 79 11.344 0.641 -4.167 631 1HG LYS 79 HG2 LYS 79 11.309 -1.856 -4.767 632 2HG LYS 79 HG3 LYS 79 9.622 -1.562 -5.244 633 1HD LYS 79 HD2 LYS 79 10.231 -0.383 -7.072 634 2HD LYS 79 HD3 LYS 79 11.567 0.413 -6.234 635 1HE LYS 79 HE2 LYS 79 12.905 -1.620 -6.449 636 2HE LYS 79 HE3 LYS 79 11.584 -2.393 -7.322 637 1HZ LYS 79 HZ3 LYS 79 11.783 -0.707 -9.043 638 2HZ LYS 79 HZ2 LYS 79 13.057 0.027 -8.208 639 3HZ LYS 79 HZ1 LYS 79 13.247 -1.531 -8.838 640 HA PRO 80 HA PRO 80 12.422 1.193 0.748 641 1HB PRO 80 HB2 PRO 80 14.805 -0.521 0.296 642 2HB PRO 80 HB3 PRO 80 13.980 -0.109 1.802 643 1HG PRO 80 HG2 PRO 80 13.720 -2.530 0.703 644 2HG PRO 80 HG3 PRO 80 12.367 -1.736 1.523 645 1HD PRO 80 HD2 PRO 80 12.878 -2.080 -1.396 646 2HD PRO 80 HD3 PRO 80 11.343 -2.102 -0.505 647 H ARG 81 H ARG 81 12.605 3.070 -0.514 648 HA ARG 81 HA ARG 81 14.498 3.382 -2.590 649 1HB ARG 81 HB2 ARG 81 12.758 5.219 -1.026 650 2HB ARG 81 HB3 ARG 81 14.071 5.909 -1.963 651 1HG ARG 81 HG2 ARG 81 13.191 5.025 -3.990 652 2HG ARG 81 HG3 ARG 81 11.997 4.064 -3.115 653 1HD ARG 81 HD2 ARG 81 11.012 6.170 -2.264 654 2HD ARG 81 HD3 ARG 81 12.130 7.069 -3.288 655 HE ARG 81 HE ARG 81 10.578 5.152 -4.744 656 1HH1 ARG 81 1HH1 ARG 81 10.587 8.375 -3.417 657 2HH1 ARG 81 2HH1 ARG 81 9.405 8.975 -4.532 658 1HH2 ARG 81 1HH2 ARG 81 9.023 5.934 -6.216 659 2HH2 ARG 81 2HH2 ARG 81 8.516 7.588 -6.123 660 H LYS 82 H LYS 82 14.641 3.725 0.856 661 HA LYS 82 HA LYS 82 17.479 4.472 0.636 662 1HB LYS 82 HB2 LYS 82 15.571 5.424 2.782 663 2HB LYS 82 HB3 LYS 82 17.272 5.844 2.637 664 1HG LYS 82 HG2 LYS 82 16.779 6.960 0.492 665 2HG LYS 82 HG3 LYS 82 15.068 6.602 0.733 666 1HD LYS 82 HD2 LYS 82 15.092 7.900 2.811 667 2HD LYS 82 HD3 LYS 82 16.800 8.270 2.554 668 1HE LYS 82 HE2 LYS 82 14.527 9.049 0.730 669 2HE LYS 82 HE3 LYS 82 15.365 10.122 1.850 670 1HZ LYS 82 HZ1 LYS 82 16.604 8.728 -0.462 671 2HZ LYS 82 HZ3 LYS 82 16.198 10.370 -0.401 672 3HZ LYS 82 HZ2 LYS 82 17.407 9.759 0.612 673 H ARG 83 H ARG 83 18.599 4.029 2.849 674 HA ARG 83 HA ARG 83 17.689 1.388 3.784 675 1HB ARG 83 HB2 ARG 83 20.214 1.239 4.473 676 2HB ARG 83 HB3 ARG 83 19.725 0.921 2.814 677 1HG ARG 83 HG2 ARG 83 20.375 3.157 2.160 678 2HG ARG 83 HG3 ARG 83 20.792 3.547 3.831 679 1HD ARG 83 HD2 ARG 83 22.099 1.429 2.128 680 2HD ARG 83 HD3 ARG 83 22.777 3.012 2.507 681 HE ARG 83 HE ARG 83 22.149 1.620 4.886 682 1HH1 ARG 83 1HH1 ARG 83 24.454 1.665 2.274 683 2HH1 ARG 83 2HH1 ARG 83 25.734 0.985 3.221 684 1HH2 ARG 83 1HH2 ARG 83 23.828 0.724 6.140 685 2HH2 ARG 83 2HH2 ARG 83 25.379 0.450 5.420 686 H GLY 84 H GLY 84 17.486 0.995 5.927 687 1HA GLY 84 HA3 GLY 84 17.661 3.327 7.688 688 2HA GLY 84 HA2 GLY 84 18.558 1.888 8.149 689 H HIS 85 H HIS 85 16.079 3.421 9.184 690 HA HIS 85 HA HIS 85 14.542 0.992 9.754 691 1HB HIS 85 HB2 HIS 85 14.490 3.681 11.136 692 2HB HIS 85 HB3 HIS 85 13.606 2.247 11.644 693 HD1 HIS 85 HD1 HIS 85 16.859 3.916 11.937 694 HD2 HIS 85 HD2 HIS 85 15.303 0.126 12.627 695 HE1 HIS 85 HE1 HIS 85 18.558 2.743 13.372 696 HE2 HIS 85 HE2 HIS 85 17.550 0.485 13.854 697 H HIS 86 H HIS 86 13.260 0.834 7.937 698 HA HIS 86 HA HIS 86 11.387 3.055 7.457 699 1HB HIS 86 HB2 HIS 86 12.143 0.808 5.574 700 2HB HIS 86 HB3 HIS 86 11.090 2.172 5.205 701 HD1 HIS 86 HD1 HIS 86 13.770 3.518 7.117 702 HD2 HIS 86 HD2 HIS 86 13.312 2.323 3.166 703 HE1 HIS 86 HE1 HIS 86 15.630 4.644 5.857 704 HE2 HIS 86 HE2 HIS 86 15.258 4.001 3.451 705 H THR 87 H THR 87 9.181 2.354 6.717 706 HA THR 87 HA THR 87 8.302 -0.271 7.524 707 HB THR 87 HB THR 87 7.289 2.117 9.075 708 HG1 THR 87 HG1 THR 87 8.769 -0.055 10.137 709 1HG2 THR 87 3HG2 THR 87 5.614 0.367 8.740 710 2HG2 THR 87 2HG2 THR 87 6.737 -0.835 9.374 711 3HG2 THR 87 1HG2 THR 87 6.126 0.442 10.424 712 H LEU 88 H LEU 88 6.038 -0.660 7.082 713 HA LEU 88 HA LEU 88 4.842 1.298 5.234 714 1HB LEU 88 HB2 LEU 88 5.644 -0.493 3.896 715 2HB LEU 88 HB3 LEU 88 5.032 -1.694 5.010 716 HG LEU 88 HG LEU 88 2.694 -0.789 4.385 717 1HD1 LEU 88 2HD1 LEU 88 3.469 1.230 3.259 718 2HD1 LEU 88 1HD1 LEU 88 4.306 0.245 2.060 719 3HD1 LEU 88 3HD1 LEU 88 2.546 0.200 2.166 720 1HD2 LEU 88 2HD2 LEU 88 3.562 -2.989 3.744 721 2HD2 LEU 88 1HD2 LEU 88 2.577 -2.275 2.468 722 3HD2 LEU 88 3HD2 LEU 88 4.335 -2.265 2.335 723 H GLU 89 H GLU 89 3.533 2.141 6.883 724 HA GLU 89 HA GLU 89 1.852 0.510 8.498 725 1HB GLU 89 HB2 GLU 89 1.959 3.461 7.926 726 2HB GLU 89 HB3 GLU 89 0.744 2.751 8.979 727 1HG GLU 89 HG2 GLU 89 2.419 1.936 10.456 728 2HG GLU 89 HG3 GLU 89 3.704 2.483 9.385 729 H LEU 90 H LEU 90 0.399 -0.746 7.397 730 HA LEU 90 HA LEU 90 -1.397 0.648 5.529 731 1HB LEU 90 HB2 LEU 90 -0.834 -2.299 5.846 732 2HB LEU 90 HB3 LEU 90 -2.055 -1.640 4.778 733 HG LEU 90 HG LEU 90 0.927 -1.211 4.562 734 1HD1 LEU 90 1HD1 LEU 90 -1.038 -2.774 2.898 735 2HD1 LEU 90 3HD1 LEU 90 0.623 -2.428 2.418 736 3HD1 LEU 90 2HD1 LEU 90 0.305 -3.412 3.845 737 1HD2 LEU 90 1HD2 LEU 90 -1.317 -0.156 2.844 738 2HD2 LEU 90 3HD2 LEU 90 -0.252 0.797 3.878 739 3HD2 LEU 90 2HD2 LEU 90 0.403 -0.036 2.469 740 H VAL 91 H VAL 91 -3.583 0.694 5.872 741 HA VAL 91 HA VAL 91 -4.631 -0.699 8.237 742 HB VAL 91 HB VAL 91 -5.985 1.707 8.287 743 1HG1 VAL 91 3HG1 VAL 91 -3.693 0.665 9.927 744 2HG1 VAL 91 2HG1 VAL 91 -4.591 2.122 10.352 745 3HG1 VAL 91 1HG1 VAL 91 -5.422 0.567 10.269 746 1HG2 VAL 91 3HG2 VAL 91 -4.379 2.727 6.766 747 2HG2 VAL 91 2HG2 VAL 91 -4.270 3.448 8.374 748 3HG2 VAL 91 1HG2 VAL 91 -3.055 2.280 7.848 749 H TYR 92 H TYR 92 -7.010 -0.583 8.370 750 HA TYR 92 HA TYR 92 -8.262 -0.732 5.708 751 1HB TYR 92 HB2 TYR 92 -8.262 -2.503 7.883 752 2HB TYR 92 HB3 TYR 92 -9.854 -1.761 7.913 753 HD1 TYR 92 HD1 TYR 92 -9.393 -4.660 7.490 754 HD2 TYR 92 HD2 TYR 92 -9.658 -1.468 4.687 755 HE1 TYR 92 HE1 TYR 92 -10.155 -6.242 5.769 756 HE2 TYR 92 HE2 TYR 92 -10.420 -3.043 2.962 757 HH TYR 92 HH TYR 92 -11.432 -6.200 3.669 758 H THR 93 H THR 93 -8.631 1.569 5.584 759 HA THR 93 HA THR 93 -10.698 2.552 7.455 760 HB THR 93 HB THR 93 -8.587 3.629 7.943 761 HG1 THR 93 HG1 THR 93 -10.591 4.889 7.911 762 1HG2 THR 93 2HG2 THR 93 -8.533 3.933 4.986 763 2HG2 THR 93 1HG2 THR 93 -7.825 5.225 5.962 764 3HG2 THR 93 3HG2 THR 93 -7.223 3.573 6.114 765 H ARG 94 H ARG 94 -12.068 4.261 6.671 766 HA ARG 94 HA ARG 94 -12.722 3.956 3.843 767 1HB ARG 94 HB2 ARG 94 -14.221 5.438 6.008 768 2HB ARG 94 HB3 ARG 94 -14.817 5.063 4.398 769 1HG ARG 94 HG2 ARG 94 -14.746 2.683 4.918 770 2HG ARG 94 HG3 ARG 94 -14.134 3.055 6.531 771 1HD ARG 94 HD2 ARG 94 -16.517 2.621 6.617 772 2HD ARG 94 HD3 ARG 94 -16.185 4.307 7.013 773 HE ARG 94 HE ARG 94 -16.708 4.156 4.278 774 1HH1 ARG 94 1HH1 ARG 94 -18.370 3.673 7.304 775 2HH1 ARG 94 2HH1 ARG 94 -19.923 4.101 6.666 776 1HH2 ARG 94 1HH2 ARG 94 -18.749 4.721 3.432 777 2HH2 ARG 94 2HH2 ARG 94 -20.138 4.696 4.467 778 HA PRO 95 HA PRO 95 -10.018 7.547 3.000 779 1HB PRO 95 HB2 PRO 95 -11.875 7.400 0.663 780 2HB PRO 95 HB3 PRO 95 -10.129 7.663 0.695 781 1HG PRO 95 HG2 PRO 95 -11.291 5.251 0.146 782 2HG PRO 95 HG3 PRO 95 -9.671 5.432 0.831 783 1HD PRO 95 HD2 PRO 95 -12.048 4.347 2.070 784 2HD PRO 95 HD3 PRO 95 -10.392 4.388 2.692 785 H PHE 96 H PHE 96 -13.553 7.550 2.447 786 HA PHE 96 HA PHE 96 -13.677 10.414 2.601 787 1HB PHE 96 HB2 PHE 96 -16.260 9.602 2.749 788 2HB PHE 96 HB3 PHE 96 -15.381 9.841 1.248 789 HD1 PHE 96 HD1 PHE 96 -14.660 7.963 -0.078 790 HD2 PHE 96 HD2 PHE 96 -16.731 7.386 3.594 791 HE1 PHE 96 HE1 PHE 96 -15.064 5.611 -0.679 792 HE2 PHE 96 HE2 PHE 96 -17.137 5.034 3.002 793 HZ PHE 96 HZ PHE 96 -16.303 4.143 0.862 794 H GLU 97 H GLU 97 -14.960 7.759 4.619 795 HA GLU 97 HA GLU 97 -15.909 9.511 6.652 796 1HB GLU 97 HB2 GLU 97 -15.398 6.541 6.621 797 2HB GLU 97 HB3 GLU 97 -16.082 7.381 8.004 798 1HG GLU 97 HG2 GLU 97 -17.279 7.251 5.245 799 2HG GLU 97 HG3 GLU 97 -17.810 6.334 6.653 800 H GLY 98 H GLY 98 -12.834 9.052 5.800 801 1HA GLY 98 HA3 GLY 98 -11.828 9.936 8.337 802 2HA GLY 98 HA2 GLY 98 -10.871 9.625 6.894 803 H ILE 99 H ILE 99 -9.820 8.911 9.264 804 HA ILE 99 HA ILE 99 -10.065 5.983 9.193 805 HB ILE 99 HB ILE 99 -7.601 7.418 10.104 806 1HG1 ILE 99 2HG1 ILE 99 -8.222 6.548 7.274 807 2HG1 ILE 99 3HG1 ILE 99 -8.205 8.221 7.822 808 1HG2 ILE 99 2HG2 ILE 99 -8.417 4.655 9.451 809 2HG2 ILE 99 1HG2 ILE 99 -6.791 5.134 8.953 810 3HG2 ILE 99 3HG2 ILE 99 -7.264 5.245 10.649 811 1HD1 ILE 99 1HD1 ILE 99 -5.819 7.961 8.399 812 2HD1 ILE 99 3HD1 ILE 99 -5.868 6.326 7.738 813 3HD1 ILE 99 2HD1 ILE 99 -6.150 7.713 6.685 814 H LYS 100 H LYS 100 -9.672 4.817 11.116 815 HA LYS 100 HA LYS 100 -9.786 6.247 13.649 816 1HB LYS 100 HB2 LYS 100 -11.897 4.262 12.778 817 2HB LYS 100 HB3 LYS 100 -11.732 4.907 14.404 818 1HG LYS 100 HG2 LYS 100 -12.245 7.124 13.640 819 2HG LYS 100 HG3 LYS 100 -12.242 6.587 11.960 820 1HD LYS 100 HD2 LYS 100 -14.120 5.469 14.029 821 2HD LYS 100 HD3 LYS 100 -14.516 6.873 13.037 822 1HE LYS 100 HE2 LYS 100 -14.273 5.559 11.019 823 2HE LYS 100 HE3 LYS 100 -13.759 4.160 11.961 824 1HZ LYS 100 HZ3 LYS 100 -15.936 4.114 13.011 825 2HZ LYS 100 HZ2 LYS 100 -16.428 5.454 12.105 826 3HZ LYS 100 HZ1 LYS 100 -16.081 3.993 11.329 827 HA PRO 101 HA PRO 101 -7.235 2.996 15.153 828 1HB PRO 101 HB2 PRO 101 -8.379 2.439 17.596 829 2HB PRO 101 HB3 PRO 101 -7.303 3.801 17.281 830 1HG PRO 101 HG2 PRO 101 -10.288 3.736 17.405 831 2HG PRO 101 HG3 PRO 101 -9.166 4.958 18.030 832 1HD PRO 101 HD2 PRO 101 -10.525 5.335 15.752 833 2HD PRO 101 HD3 PRO 101 -8.864 5.931 15.956 834 H GLU 102 H GLU 102 -10.703 2.430 15.429 835 HA GLU 102 HA GLU 102 -10.671 -0.318 15.879 836 1HB GLU 102 HB2 GLU 102 -12.971 -0.287 14.894 837 2HB GLU 102 HB3 GLU 102 -12.700 0.881 16.182 838 1HG GLU 102 HG2 GLU 102 -12.357 2.626 14.523 839 2HG GLU 102 HG3 GLU 102 -12.642 1.457 13.238 840 H ASN 103 H ASN 103 -9.655 1.350 13.137 841 HA ASN 103 HA ASN 103 -10.399 -0.522 11.127 842 1HB ASN 103 HB2 ASN 103 -8.256 1.602 11.184 843 2HB ASN 103 HB3 ASN 103 -8.671 0.661 9.756 844 1HD2 ASN 103 1HD2 ASN 103 -11.524 0.618 10.456 845 2HD2 ASN 103 2HD2 ASN 103 -12.120 2.194 10.079 846 H GLU 104 H GLU 104 -9.309 -2.231 10.249 847 HA GLU 104 HA GLU 104 -7.617 -3.741 11.824 848 1HB GLU 104 HB2 GLU 104 -8.687 -3.838 9.134 849 2HB GLU 104 HB3 GLU 104 -7.063 -4.495 9.211 850 1HG GLU 104 HG2 GLU 104 -8.451 -6.323 9.586 851 2HG GLU 104 HG3 GLU 104 -7.895 -5.860 11.190 852 H ARG 105 H ARG 105 -5.377 -4.406 11.315 853 HA ARG 105 HA ARG 105 -3.780 -2.116 10.369 854 1HB ARG 105 HB2 ARG 105 -3.721 -2.366 12.829 855 2HB ARG 105 HB3 ARG 105 -3.122 -4.004 12.638 856 1HG ARG 105 HG2 ARG 105 -1.087 -3.115 12.835 857 2HG ARG 105 HG3 ARG 105 -1.328 -2.540 11.181 858 1HD ARG 105 HD2 ARG 105 -0.623 -0.710 12.591 859 2HD ARG 105 HD3 ARG 105 -2.280 -0.459 12.038 860 HE ARG 105 HE ARG 105 -2.524 -1.700 14.465 861 1HH1 ARG 105 1HH1 ARG 105 -1.008 1.214 13.305 862 2HH1 ARG 105 2HH1 ARG 105 -1.220 2.072 14.795 863 1HH2 ARG 105 1HH2 ARG 105 -2.808 -0.580 16.429 864 2HH2 ARG 105 2HH2 ARG 105 -2.242 1.052 16.572 865 H TYR 106 H TYR 106 -1.675 -2.616 9.577 866 HA TYR 106 HA TYR 106 -0.654 -5.198 9.182 867 1HB TYR 106 HB2 TYR 106 -2.543 -5.276 7.519 868 2HB TYR 106 HB3 TYR 106 -1.757 -3.959 6.646 869 HD1 TYR 106 HD1 TYR 106 -1.731 -7.495 7.455 870 HD2 TYR 106 HD2 TYR 106 0.373 -4.385 5.464 871 HE1 TYR 106 HE1 TYR 106 -0.414 -9.170 6.248 872 HE2 TYR 106 HE2 TYR 106 1.702 -6.055 4.246 873 HH TYR 106 HH TYR 106 2.393 -8.404 4.504 874 H THR 107 H THR 107 0.742 -3.586 10.284 875 HA THR 107 HA THR 107 2.069 -1.649 8.586 876 HB THR 107 HB THR 107 2.795 -2.388 11.420 877 HG1 THR 107 HG1 THR 107 0.481 -1.597 10.822 878 1HG2 THR 107 2HG2 THR 107 3.187 0.117 9.783 879 2HG2 THR 107 1HG2 THR 107 3.618 -0.066 11.484 880 3HG2 THR 107 3HG2 THR 107 4.437 -1.032 10.257 881 H LEU 108 H LEU 108 3.176 -2.857 7.066 882 HA LEU 108 HA LEU 108 4.862 -5.050 7.747 883 1HB LEU 108 HB2 LEU 108 3.882 -4.870 5.542 884 2HB LEU 108 HB3 LEU 108 4.702 -3.352 5.262 885 HG LEU 108 HG LEU 108 6.878 -4.542 5.346 886 1HD1 LEU 108 2HD1 LEU 108 5.148 -7.007 5.476 887 2HD1 LEU 108 1HD1 LEU 108 6.893 -6.986 5.214 888 3HD1 LEU 108 3HD1 LEU 108 6.223 -6.419 6.745 889 1HD2 LEU 108 2HD2 LEU 108 4.880 -5.564 3.339 890 2HD2 LEU 108 1HD2 LEU 108 5.843 -4.094 3.211 891 3HD2 LEU 108 3HD2 LEU 108 6.632 -5.670 3.176 892 H HIS 109 H HIS 109 6.365 -4.453 9.274 893 HA HIS 109 HA HIS 109 8.019 -2.129 8.917 894 1HB HIS 109 HB2 HIS 109 7.856 -4.310 10.937 895 2HB HIS 109 HB3 HIS 109 9.295 -3.301 10.868 896 HD1 HIS 109 HD1 HIS 109 9.160 -1.066 11.986 897 HD2 HIS 109 HD2 HIS 109 5.430 -2.826 11.486 898 HE1 HIS 109 HE1 HIS 109 7.550 0.408 13.235 899 HE2 HIS 109 HE2 HIS 109 5.311 -0.722 12.987 900 H LEU 110 H LEU 110 10.145 -2.043 8.366 901 HA LEU 110 HA LEU 110 11.459 -4.458 7.402 902 1HB LEU 110 HB2 LEU 110 10.992 -2.002 5.714 903 2HB LEU 110 HB3 LEU 110 12.049 -3.325 5.268 904 HG LEU 110 HG LEU 110 9.067 -3.571 5.703 905 1HD1 LEU 110 3HD1 LEU 110 10.658 -3.421 3.147 906 2HD1 LEU 110 2HD1 LEU 110 8.934 -3.773 3.264 907 3HD1 LEU 110 1HD1 LEU 110 9.548 -2.196 3.760 908 1HD2 LEU 110 2HD2 LEU 110 10.409 -5.622 6.126 909 2HD2 LEU 110 1HD2 LEU 110 9.275 -5.770 4.784 910 3HD2 LEU 110 3HD2 LEU 110 10.992 -5.527 4.465 911 H ASN 111 H ASN 111 13.291 -4.421 8.571 912 HA ASN 111 HA ASN 111 14.605 -1.945 9.246 913 1HB ASN 111 HB2 ASN 111 15.091 -4.847 9.841 914 2HB ASN 111 HB3 ASN 111 16.367 -3.670 10.122 915 1HD2 ASN 111 1HD2 ASN 111 16.342 -3.971 12.328 916 2HD2 ASN 111 2HD2 ASN 111 15.056 -3.402 13.330 917 H VAL 112 H VAL 112 14.700 -1.508 6.854 918 HA VAL 112 HA VAL 112 16.197 -2.847 4.994 919 HB VAL 112 HB VAL 112 16.443 0.131 5.112 920 1HG1 VAL 112 3HG1 VAL 112 17.380 -1.180 3.238 921 2HG1 VAL 112 2HG1 VAL 112 15.754 -1.760 2.875 922 3HG1 VAL 112 1HG1 VAL 112 16.130 -0.044 2.729 923 1HG2 VAL 112 3HG2 VAL 112 13.892 -1.405 4.717 924 2HG2 VAL 112 2HG2 VAL 112 14.203 -0.062 5.815 925 3HG2 VAL 112 1HG2 VAL 112 14.129 0.220 4.077 926 H LYS 113 H LYS 113 18.189 -3.644 5.225 927 HA LYS 113 HA LYS 113 20.176 -2.154 6.759 928 1HB LYS 113 HB2 LYS 113 20.131 -4.984 5.715 929 2HB LYS 113 HB3 LYS 113 21.489 -4.276 6.564 930 1HG LYS 113 HG2 LYS 113 18.720 -4.631 7.681 931 2HG LYS 113 HG3 LYS 113 20.108 -5.663 8.023 932 1HD LYS 113 HD2 LYS 113 21.281 -3.788 9.034 933 2HD LYS 113 HD3 LYS 113 19.933 -2.716 8.646 934 1HE LYS 113 HE2 LYS 113 18.464 -4.014 10.084 935 2HE LYS 113 HE3 LYS 113 19.779 -5.131 10.441 936 1HZ LYS 113 HZ2 LYS 113 19.732 -2.242 11.132 937 2HZ LYS 113 HZ1 LYS 113 19.485 -3.518 12.214 938 3HZ LYS 113 HZ3 LYS 113 20.994 -3.314 11.476 No H/Q in entry = 938 Start of MODEL 33 1 H1 GLY -2 HT1 GLY -2 -8.334 -16.520 31.613 2 H2 GLY -2 HT3 GLY -2 -10.025 -16.532 31.686 3 H3 GLY -2 HT2 GLY -2 -9.174 -17.983 31.505 4 1HA GLY -2 HA2 GLY -2 -10.149 -17.323 29.405 5 2HA GLY -2 HA3 GLY -2 -8.394 -17.309 29.329 6 H SER -1 H SER -1 -7.561 -15.022 30.266 7 HA SER -1 HA SER -1 -9.182 -12.859 29.160 8 1HB SER -1 HB2 SER -1 -6.614 -12.773 30.761 9 2HB SER -1 HB3 SER -1 -7.543 -11.364 30.249 10 HG SER -1 HG SER -1 -9.339 -12.444 31.436 11 H HIS 0 H HIS 0 -8.463 -11.474 27.546 12 HA HIS 0 HA HIS 0 -6.394 -12.612 25.814 13 1HB HIS 0 HB2 HIS 0 -8.500 -10.515 25.243 14 2HB HIS 0 HB3 HIS 0 -7.357 -11.152 24.066 15 HD1 HIS 0 HD1 HIS 0 -7.909 -13.370 22.977 16 HD2 HIS 0 HD2 HIS 0 -10.516 -12.372 26.056 17 HE1 HIS 0 HE1 HIS 0 -9.790 -15.034 22.833 18 HE2 HIS 0 HE2 HIS 0 -11.392 -14.364 24.659 19 H MET 1 H MET 1 -5.995 -10.897 28.279 20 HA MET 1 HA MET 1 -4.566 -9.285 28.993 21 1HB MET 1 HB2 MET 1 -3.456 -9.516 26.190 22 2HB MET 1 HB3 MET 1 -2.667 -8.694 27.528 23 1HG MET 1 HG2 MET 1 -2.529 -10.806 28.747 24 2HG MET 1 HG3 MET 1 -3.318 -11.629 27.403 25 1HE MET 1 HE3 MET 1 -0.535 -12.554 28.664 26 2HE MET 1 HE2 MET 1 -1.316 -13.388 27.321 27 3HE MET 1 HE1 MET 1 0.382 -12.924 27.203 28 H ILE 2 H ILE 2 -3.605 -7.003 28.227 29 HA ILE 2 HA ILE 2 -5.656 -5.561 26.705 30 HB ILE 2 HB ILE 2 -5.655 -3.744 28.396 31 1HG1 ILE 2 2HG1 ILE 2 -4.250 -5.773 30.150 32 2HG1 ILE 2 3HG1 ILE 2 -3.481 -4.353 29.448 33 1HG2 ILE 2 3HG2 ILE 2 -7.460 -5.374 28.330 34 2HG2 ILE 2 2HG2 ILE 2 -6.556 -6.438 29.408 35 3HG2 ILE 2 1HG2 ILE 2 -7.130 -4.876 29.990 36 1HD1 ILE 2 2HD1 ILE 2 -4.987 -2.912 30.715 37 2HD1 ILE 2 1HD1 ILE 2 -5.751 -4.335 31.421 38 3HD1 ILE 2 3HD1 ILE 2 -4.060 -3.978 31.769 39 H ALA 3 H ALA 3 -2.836 -6.377 26.232 40 HA ALA 3 HA ALA 3 -1.012 -4.317 26.505 41 1HB ALA 3 HB1 ALA 3 -1.227 -6.229 24.182 42 2HB ALA 3 HB3 ALA 3 0.203 -5.307 24.649 43 3HB ALA 3 HB2 ALA 3 -0.426 -6.560 25.718 44 HA PRO 4 HA PRO 4 -2.543 -2.651 22.116 45 1HB PRO 4 HB2 PRO 4 -5.415 -3.351 22.438 46 2HB PRO 4 HB3 PRO 4 -4.415 -3.344 20.982 47 1HG PRO 4 HG2 PRO 4 -5.107 -5.638 22.143 48 2HG PRO 4 HG3 PRO 4 -3.488 -5.419 21.451 49 1HD PRO 4 HD2 PRO 4 -4.352 -5.366 24.312 50 2HD PRO 4 HD3 PRO 4 -2.874 -6.034 23.591 51 H LEU 5 H LEU 5 -3.364 -0.554 21.879 52 HA LEU 5 HA LEU 5 -5.072 0.537 23.965 53 1HB LEU 5 HB2 LEU 5 -2.823 0.762 24.896 54 2HB LEU 5 HB3 LEU 5 -2.292 1.590 23.445 55 HG LEU 5 HG LEU 5 -3.841 3.446 23.952 56 1HD1 LEU 5 3HD1 LEU 5 -4.371 1.909 26.492 57 2HD1 LEU 5 2HD1 LEU 5 -4.912 3.553 26.150 58 3HD1 LEU 5 1HD1 LEU 5 -5.526 2.206 25.192 59 1HD2 LEU 5 2HD2 LEU 5 -1.958 2.736 26.197 60 2HD2 LEU 5 1HD2 LEU 5 -1.527 3.561 24.700 61 3HD2 LEU 5 3HD2 LEU 5 -2.601 4.342 25.860 62 H SER 6 H SER 6 -2.852 1.858 21.505 63 HA SER 6 HA SER 6 -5.186 3.073 20.183 64 1HB SER 6 HB2 SER 6 -3.976 4.799 21.436 65 2HB SER 6 HB3 SER 6 -2.478 4.358 20.615 66 HG SER 6 HG SER 6 -3.265 5.159 18.732 67 H VAL 7 H VAL 7 -2.944 0.802 19.847 68 HA VAL 7 HA VAL 7 -2.970 0.999 16.944 69 HB VAL 7 HB VAL 7 -0.870 2.118 17.619 70 1HG1 VAL 7 3HG1 VAL 7 -0.465 0.920 19.702 71 2HG1 VAL 7 2HG1 VAL 7 -0.153 -0.562 18.800 72 3HG1 VAL 7 1HG1 VAL 7 0.934 0.816 18.633 73 1HG2 VAL 7 1HG2 VAL 7 -0.986 0.965 15.481 74 2HG2 VAL 7 3HG2 VAL 7 0.628 0.823 16.177 75 3HG2 VAL 7 2HG2 VAL 7 -0.486 -0.542 16.250 76 H LYS 8 H LYS 8 -2.539 -1.007 15.882 77 HA LYS 8 HA LYS 8 -2.530 -3.363 17.639 78 1HB LYS 8 HB2 LYS 8 -4.132 -3.263 15.101 79 2HB LYS 8 HB3 LYS 8 -4.240 -4.422 16.413 80 1HG LYS 8 HG2 LYS 8 -5.021 -1.527 16.657 81 2HG LYS 8 HG3 LYS 8 -6.145 -2.839 16.299 82 1HD LYS 8 HD2 LYS 8 -5.582 -3.914 18.415 83 2HD LYS 8 HD3 LYS 8 -4.426 -2.630 18.770 84 1HE LYS 8 HE2 LYS 8 -7.403 -2.293 18.427 85 2HE LYS 8 HE3 LYS 8 -6.528 -2.278 19.958 86 1HZ LYS 8 HZ3 LYS 8 -5.329 -0.315 19.206 87 2HZ LYS 8 HZ2 LYS 8 -6.183 -0.326 17.746 88 3HZ LYS 8 HZ1 LYS 8 -6.998 -0.041 19.200 89 H ASP 9 H ASP 9 -0.631 -4.265 17.243 90 HA ASP 9 HA ASP 9 0.807 -3.968 14.837 91 1HB ASP 9 HB2 ASP 9 1.163 -5.914 17.125 92 2HB ASP 9 HB3 ASP 9 2.326 -5.660 15.835 93 H ASN 10 H ASN 10 0.794 -5.142 13.017 94 HA ASN 10 HA ASN 10 -0.924 -7.519 12.953 95 1HB ASN 10 HB2 ASN 10 -0.922 -5.284 11.333 96 2HB ASN 10 HB3 ASN 10 -0.042 -6.465 10.362 97 1HD2 ASN 10 1HD2 ASN 10 -2.529 -7.298 12.678 98 2HD2 ASN 10 2HD2 ASN 10 -3.684 -7.853 11.521 99 H ASP 11 H ASP 11 2.303 -6.444 12.629 100 HA ASP 11 HA ASP 11 3.213 -9.170 12.257 101 1HB ASP 11 HB2 ASP 11 4.075 -6.986 10.346 102 2HB ASP 11 HB3 ASP 11 4.655 -8.649 10.355 103 H LYS 12 H LYS 12 5.894 -8.056 11.480 104 HA LYS 12 HA LYS 12 6.645 -6.725 13.978 105 1HB LYS 12 HB2 LYS 12 8.436 -8.215 14.383 106 2HB LYS 12 HB3 LYS 12 7.042 -9.226 14.033 107 1HG LYS 12 HG2 LYS 12 9.092 -8.516 11.959 108 2HG LYS 12 HG3 LYS 12 9.213 -9.941 12.992 109 1HD LYS 12 HD2 LYS 12 6.969 -10.647 12.163 110 2HD LYS 12 HD3 LYS 12 7.022 -9.300 11.024 111 1HE LYS 12 HE2 LYS 12 7.721 -11.374 9.953 112 2HE LYS 12 HE3 LYS 12 9.053 -10.219 10.025 113 1HZ LYS 12 HZ2 LYS 12 8.649 -12.504 11.878 114 2HZ LYS 12 HZ1 LYS 12 9.777 -12.443 10.620 115 3HZ LYS 12 HZ3 LYS 12 9.927 -11.399 11.943 116 H TRP 13 H TRP 13 9.322 -6.474 13.610 117 HA TRP 13 HA TRP 13 9.648 -5.187 11.003 118 1HB TRP 13 HB2 TRP 13 10.436 -4.066 13.698 119 2HB TRP 13 HB3 TRP 13 10.768 -3.318 12.144 120 HD1 TRP 13 HD1 TRP 13 8.002 -3.664 10.735 121 HE1 TRP 13 HE1 TRP 13 5.938 -2.363 11.536 122 HE3 TRP 13 HE3 TRP 13 9.509 -2.594 15.503 123 HZ2 TRP 13 HZ2 TRP 13 5.040 -1.063 13.868 124 HZ3 TRP 13 HZ3 TRP 13 7.986 -1.318 16.956 125 HH2 TRP 13 HH2 TRP 13 5.804 -0.567 16.156 126 H VAL 14 H VAL 14 11.460 -5.863 9.931 127 HA VAL 14 HA VAL 14 13.819 -6.650 11.465 128 HB VAL 14 HB VAL 14 14.080 -8.817 10.457 129 1HG1 VAL 14 1HG1 VAL 14 12.806 -8.740 12.528 130 2HG1 VAL 14 3HG1 VAL 14 11.310 -8.543 11.613 131 3HG1 VAL 14 2HG1 VAL 14 12.231 -10.041 11.485 132 1HG2 VAL 14 2HG2 VAL 14 12.923 -8.206 8.308 133 2HG2 VAL 14 1HG2 VAL 14 12.552 -9.813 8.936 134 3HG2 VAL 14 3HG2 VAL 14 11.395 -8.500 9.138 135 H ASP 15 H ASP 15 15.709 -6.860 10.228 136 HA ASP 15 HA ASP 15 16.122 -4.901 8.351 137 1HB ASP 15 HB2 ASP 15 18.273 -5.855 7.990 138 2HB ASP 15 HB3 ASP 15 17.847 -6.142 9.679 139 H THR 16 H THR 16 17.006 -5.259 6.105 140 HA THR 16 HA THR 16 16.092 -7.425 4.530 141 HB THR 16 HB THR 16 13.901 -6.289 5.028 142 HG1 THR 16 HG1 THR 16 13.234 -6.851 3.065 143 1HG2 THR 16 2HG2 THR 16 15.074 -4.103 3.305 144 2HG2 THR 16 1HG2 THR 16 13.391 -4.212 3.819 145 3HG2 THR 16 3HG2 THR 16 14.665 -3.974 5.015 146 H HIS 17 H HIS 17 15.823 -6.272 2.053 147 HA HIS 17 HA HIS 17 18.459 -5.021 1.713 148 1HB HIS 17 HB2 HIS 17 16.738 -6.677 -0.121 149 2HB HIS 17 HB3 HIS 17 18.110 -5.754 -0.722 150 HD1 HIS 17 HD1 HIS 17 17.213 -8.914 0.904 151 HD2 HIS 17 HD2 HIS 17 20.650 -6.645 0.349 152 HE1 HIS 17 HE1 HIS 17 19.130 -10.460 1.415 153 HE2 HIS 17 HE2 HIS 17 21.196 -9.045 1.141 154 H VAL 18 H VAL 18 18.366 -3.831 -0.647 155 HA VAL 18 HA VAL 18 16.499 -1.625 -0.190 156 HB VAL 18 HB VAL 18 18.859 -1.035 -0.360 157 1HG1 VAL 18 1HG1 VAL 18 19.605 -2.848 -1.803 158 2HG1 VAL 18 3HG1 VAL 18 18.702 -2.162 -3.154 159 3HG1 VAL 18 2HG1 VAL 18 20.072 -1.285 -2.473 160 1HG2 VAL 18 2HG2 VAL 18 17.238 -0.086 -2.720 161 2HG2 VAL 18 1HG2 VAL 18 17.215 0.597 -1.094 162 3HG2 VAL 18 3HG2 VAL 18 18.675 0.709 -2.077 163 H GLY 19 H GLY 19 15.048 -0.908 -1.649 164 1HA GLY 19 HA3 GLY 19 14.891 -1.427 -4.366 165 2HA GLY 19 HA2 GLY 19 13.526 -1.025 -3.344 166 H LYS 20 H LYS 20 14.332 -3.639 -1.820 167 HA LYS 20 HA LYS 20 13.773 -5.755 -3.604 168 1HB LYS 20 HB2 LYS 20 14.641 -5.606 -1.025 169 2HB LYS 20 HB3 LYS 20 12.990 -6.141 -0.790 170 1HG LYS 20 HG2 LYS 20 14.184 -8.114 -0.916 171 2HG LYS 20 HG3 LYS 20 13.536 -7.927 -2.551 172 1HD LYS 20 HD2 LYS 20 15.591 -7.216 -3.405 173 2HD LYS 20 HD3 LYS 20 16.214 -6.847 -1.802 174 1HE LYS 20 HE2 LYS 20 16.272 -9.234 -1.269 175 2HE LYS 20 HE3 LYS 20 15.623 -9.608 -2.866 176 1HZ LYS 20 HZ3 LYS 20 18.230 -8.291 -2.326 177 2HZ LYS 20 HZ2 LYS 20 18.016 -9.902 -2.795 178 3HZ LYS 20 HZ1 LYS 20 17.608 -8.651 -3.858 179 H THR 21 H THR 21 12.011 -4.837 -4.766 180 HA THR 21 HA THR 21 9.611 -3.920 -3.908 181 HB THR 21 HB THR 21 9.750 -5.906 -6.163 182 HG1 THR 21 HG1 THR 21 10.619 -4.302 -7.438 183 1HG2 THR 21 2HG2 THR 21 7.549 -4.979 -5.549 184 2HG2 THR 21 1HG2 THR 21 8.181 -3.351 -5.790 185 3HG2 THR 21 3HG2 THR 21 8.059 -4.461 -7.156 186 H THR 22 H THR 22 8.607 -4.750 -2.168 187 HA THR 22 HA THR 22 8.091 -7.627 -2.059 188 HB THR 22 HB THR 22 7.510 -5.506 0.022 189 HG1 THR 22 HG1 THR 22 9.423 -6.064 0.919 190 1HG2 THR 22 2HG2 THR 22 7.471 -8.523 0.194 191 2HG2 THR 22 1HG2 THR 22 7.241 -7.415 1.547 192 3HG2 THR 22 3HG2 THR 22 6.063 -7.462 0.237 193 H GLU 23 H GLU 23 6.451 -8.113 -3.355 194 HA GLU 23 HA GLU 23 4.126 -6.463 -3.616 195 1HB GLU 23 HB2 GLU 23 5.055 -7.771 -5.489 196 2HB GLU 23 HB3 GLU 23 4.703 -9.255 -4.614 197 1HG GLU 23 HG2 GLU 23 2.370 -8.913 -4.785 198 2HG GLU 23 HG3 GLU 23 2.600 -7.259 -5.351 199 H ILE 24 H ILE 24 2.288 -6.618 -2.512 200 HA ILE 24 HA ILE 24 1.797 -9.046 -0.938 201 HB ILE 24 HB ILE 24 1.348 -6.241 0.047 202 1HG1 ILE 24 2HG1 ILE 24 3.433 -8.283 0.833 203 2HG1 ILE 24 3HG1 ILE 24 3.734 -6.782 -0.033 204 1HG2 ILE 24 3HG2 ILE 24 -0.276 -7.893 0.868 205 2HG2 ILE 24 2HG2 ILE 24 1.053 -8.883 1.469 206 3HG2 ILE 24 1HG2 ILE 24 0.761 -7.287 2.160 207 1HD1 ILE 24 2HD1 ILE 24 3.004 -5.512 1.922 208 2HD1 ILE 24 1HD1 ILE 24 2.730 -7.021 2.792 209 3HD1 ILE 24 3HD1 ILE 24 4.361 -6.575 2.292 210 H HIS 25 H HIS 25 0.103 -9.885 -1.969 211 HA HIS 25 HA HIS 25 -2.091 -8.209 -2.856 212 1HB HIS 25 HB2 HIS 25 -2.106 -11.208 -2.893 213 2HB HIS 25 HB3 HIS 25 -2.912 -10.091 -3.977 214 HD1 HIS 25 HD1 HIS 25 -0.092 -12.275 -3.847 215 HD2 HIS 25 HD2 HIS 25 -0.907 -8.622 -5.647 216 HE1 HIS 25 HE1 HIS 25 1.607 -12.039 -5.685 217 HE2 HIS 25 HE2 HIS 25 1.006 -9.884 -6.843 218 H LEU 26 H LEU 26 -3.119 -7.464 -1.059 219 HA LEU 26 HA LEU 26 -3.812 -9.307 1.087 220 1HB LEU 26 HB2 LEU 26 -4.380 -6.363 0.814 221 2HB LEU 26 HB3 LEU 26 -4.630 -7.323 2.256 222 HG LEU 26 HG LEU 26 -1.891 -7.052 1.051 223 1HD1 LEU 26 2HD1 LEU 26 -2.726 -4.782 1.352 224 2HD1 LEU 26 1HD1 LEU 26 -3.183 -5.161 3.013 225 3HD1 LEU 26 3HD1 LEU 26 -1.483 -5.161 2.546 226 1HD2 LEU 26 2HD2 LEU 26 -2.407 -8.758 2.822 227 2HD2 LEU 26 1HD2 LEU 26 -1.136 -7.607 3.237 228 3HD2 LEU 26 3HD2 LEU 26 -2.754 -7.415 3.914 229 H LYS 27 H LYS 27 -5.919 -9.787 1.682 230 HA LYS 27 HA LYS 27 -7.874 -9.413 -0.469 231 1HB LYS 27 HB2 LYS 27 -8.189 -11.292 1.855 232 2HB LYS 27 HB3 LYS 27 -8.988 -11.345 0.292 233 1HG LYS 27 HG2 LYS 27 -6.794 -11.853 -0.757 234 2HG LYS 27 HG3 LYS 27 -6.096 -11.948 0.863 235 1HD LYS 27 HD2 LYS 27 -7.652 -13.751 1.430 236 2HD LYS 27 HD3 LYS 27 -8.343 -13.662 -0.191 237 1HE LYS 27 HE2 LYS 27 -6.174 -14.259 -1.149 238 2HE LYS 27 HE3 LYS 27 -5.480 -14.342 0.470 239 1HZ LYS 27 HZ3 LYS 27 -7.018 -16.139 0.990 240 2HZ LYS 27 HZ2 LYS 27 -7.662 -16.066 -0.572 241 3HZ LYS 27 HZ1 LYS 27 -6.054 -16.535 -0.343 242 H GLY 28 H GLY 28 -10.139 -9.085 0.171 243 1HA GLY 28 HA3 GLY 28 -10.354 -6.808 1.850 244 2HA GLY 28 HA2 GLY 28 -10.988 -8.226 2.666 245 H ASN 29 H ASN 29 -12.280 -5.740 1.630 246 HA ASN 29 HA ASN 29 -13.845 -6.324 -0.635 247 1HB ASN 29 HB2 ASN 29 -14.686 -8.064 1.041 248 2HB ASN 29 HB3 ASN 29 -15.370 -6.712 1.940 249 1HD2 ASN 29 1HD2 ASN 29 -17.108 -5.589 1.097 250 2HD2 ASN 29 2HD2 ASN 29 -18.050 -6.196 -0.218 251 HA PRO 30 HA PRO 30 -13.771 -1.888 0.511 252 1HB PRO 30 HB2 PRO 30 -14.751 -1.159 -1.990 253 2HB PRO 30 HB3 PRO 30 -13.047 -1.258 -1.543 254 1HG PRO 30 HG2 PRO 30 -14.750 -3.240 -2.984 255 2HG PRO 30 HG3 PRO 30 -13.051 -2.809 -3.255 256 1HD PRO 30 HD2 PRO 30 -13.726 -5.073 -2.002 257 2HD PRO 30 HD3 PRO 30 -12.308 -4.130 -1.495 258 H THR 31 H THR 31 -16.373 -3.750 -0.977 259 HA THR 31 HA THR 31 -18.452 -1.931 -0.781 260 HB THR 31 HB THR 31 -18.991 -4.801 -0.156 261 HG1 THR 31 HG1 THR 31 -18.761 -5.124 -2.521 262 1HG2 THR 31 2HG2 THR 31 -20.839 -3.232 -0.450 263 2HG2 THR 31 1HG2 THR 31 -20.225 -2.800 -2.046 264 3HG2 THR 31 3HG2 THR 31 -20.820 -4.431 -1.742 265 H THR 32 H THR 32 -16.783 -3.611 1.727 266 HA THR 32 HA THR 32 -18.807 -3.608 3.703 267 HB THR 32 HB THR 32 -16.986 -3.865 5.342 268 HG1 THR 32 HG1 THR 32 -15.220 -2.827 4.744 269 1HG2 THR 32 2HG2 THR 32 -17.800 -5.816 4.050 270 2HG2 THR 32 1HG2 THR 32 -16.520 -5.536 2.870 271 3HG2 THR 32 3HG2 THR 32 -16.109 -5.971 4.529 272 H GLY 33 H GLY 33 -15.979 -1.444 3.361 273 1HA GLY 33 HA3 GLY 33 -17.177 0.463 5.181 274 2HA GLY 33 HA2 GLY 33 -17.126 0.989 3.505 275 H TYR 34 H TYR 34 -14.650 -1.003 5.021 276 HA TYR 34 HA TYR 34 -12.902 1.305 5.327 277 1HB TYR 34 HB2 TYR 34 -12.521 -1.600 6.062 278 2HB TYR 34 HB3 TYR 34 -11.317 -0.344 6.337 279 HD1 TYR 34 HD1 TYR 34 -14.790 -1.346 7.187 280 HD2 TYR 34 HD2 TYR 34 -11.391 0.978 8.295 281 HE1 TYR 34 HE1 TYR 34 -15.849 -0.833 9.345 282 HE2 TYR 34 HE2 TYR 34 -12.450 1.491 10.455 283 HH TYR 34 HH TYR 34 -14.699 1.582 11.431 284 H MET 35 H MET 35 -10.469 0.603 4.797 285 HA MET 35 HA MET 35 -10.235 -0.622 2.184 286 1HB MET 35 HB2 MET 35 -10.518 1.515 1.359 287 2HB MET 35 HB3 MET 35 -9.909 2.271 2.823 288 1HG MET 35 HG2 MET 35 -7.629 1.432 2.155 289 2HG MET 35 HG3 MET 35 -8.343 1.025 0.611 290 1HE MET 35 HE2 MET 35 -6.392 2.493 -0.417 291 2HE MET 35 HE1 MET 35 -7.874 2.651 -1.357 292 3HE MET 35 HE3 MET 35 -6.901 4.077 -0.998 293 H TRP 36 H TRP 36 -8.047 -1.146 1.680 294 HA TRP 36 HA TRP 36 -6.288 -1.157 4.040 295 1HB TRP 36 HB2 TRP 36 -6.953 -3.176 2.037 296 2HB TRP 36 HB3 TRP 36 -5.227 -2.977 2.281 297 HD1 TRP 36 HD1 TRP 36 -7.918 -5.025 3.484 298 HE1 TRP 36 HE1 TRP 36 -7.437 -5.993 5.820 299 HE3 TRP 36 HE3 TRP 36 -4.038 -1.989 4.836 300 HZ2 TRP 36 HZ2 TRP 36 -5.651 -5.529 7.953 301 HZ3 TRP 36 HZ3 TRP 36 -2.997 -2.315 7.039 302 HH2 TRP 36 HH2 TRP 36 -3.790 -4.049 8.566 303 H THR 37 H THR 37 -5.237 0.777 3.717 304 HA THR 37 HA THR 37 -3.412 0.820 1.417 305 HB THR 37 HB THR 37 -5.348 2.292 0.905 306 HG1 THR 37 HG1 THR 37 -3.398 2.874 -0.025 307 1HG2 THR 37 2HG2 THR 37 -4.360 3.844 3.304 308 2HG2 THR 37 1HG2 THR 37 -5.574 4.406 2.154 309 3HG2 THR 37 3HG2 THR 37 -5.902 3.001 3.168 310 H ARG 38 H ARG 38 -2.072 3.210 1.980 311 HA ARG 38 HA ARG 38 -0.660 2.419 4.393 312 1HB ARG 38 HB2 ARG 38 -0.018 4.019 2.001 313 2HB ARG 38 HB3 ARG 38 0.709 4.582 3.491 314 1HG ARG 38 HG2 ARG 38 1.785 2.502 3.844 315 2HG ARG 38 HG3 ARG 38 0.945 1.786 2.465 316 1HD ARG 38 HD2 ARG 38 3.299 2.510 2.039 317 2HD ARG 38 HD3 ARG 38 2.121 3.150 0.931 318 HE ARG 38 HE ARG 38 2.359 5.273 1.996 319 1HH1 ARG 38 1HH1 ARG 38 4.603 2.841 3.088 320 2HH1 ARG 38 2HH1 ARG 38 5.759 3.987 3.681 321 1HH2 ARG 38 1HH2 ARG 38 3.890 6.791 2.761 322 2HH2 ARG 38 2HH2 ARG 38 5.353 6.229 3.498 323 H VAL 39 H VAL 39 -0.452 3.611 6.225 324 HA VAL 39 HA VAL 39 -2.556 5.284 6.991 325 HB VAL 39 HB VAL 39 0.150 5.220 8.321 326 1HG1 VAL 39 1HG1 VAL 39 -1.397 6.901 9.162 327 2HG1 VAL 39 3HG1 VAL 39 -2.630 5.664 9.404 328 3HG1 VAL 39 2HG1 VAL 39 -1.147 5.628 10.357 329 1HG2 VAL 39 1HG2 VAL 39 -0.561 2.924 7.907 330 2HG2 VAL 39 3HG2 VAL 39 -0.642 3.311 9.626 331 3HG2 VAL 39 2HG2 VAL 39 -2.119 3.263 8.662 332 H GLY 40 H GLY 40 -2.896 7.415 6.863 333 1HA GLY 40 HA3 GLY 40 -0.695 9.282 6.600 334 2HA GLY 40 HA2 GLY 40 -2.397 9.688 6.750 335 H PHE 41 H PHE 41 -2.654 7.556 4.444 336 HA PHE 41 HA PHE 41 -2.325 9.546 2.314 337 1HB PHE 41 HB2 PHE 41 -1.514 6.646 2.052 338 2HB PHE 41 HB3 PHE 41 -1.363 7.894 0.819 339 HD1 PHE 41 HD1 PHE 41 0.188 6.256 3.551 340 HD2 PHE 41 HD2 PHE 41 0.137 9.895 1.358 341 HE1 PHE 41 HE1 PHE 41 2.414 6.817 4.443 342 HE2 PHE 41 HE2 PHE 41 2.365 10.465 2.237 343 HZ PHE 41 HZ PHE 41 3.505 8.925 3.784 344 H VAL 42 H VAL 42 -4.287 7.618 3.989 345 HA VAL 42 HA VAL 42 -5.881 6.226 2.208 346 HB VAL 42 HB VAL 42 -6.898 7.715 4.628 347 1HG1 VAL 42 1HG1 VAL 42 -8.586 6.705 3.116 348 2HG1 VAL 42 3HG1 VAL 42 -7.835 5.133 3.399 349 3HG1 VAL 42 2HG1 VAL 42 -8.577 6.011 4.737 350 1HG2 VAL 42 1HG2 VAL 42 -4.788 6.316 4.954 351 2HG2 VAL 42 3HG2 VAL 42 -6.160 5.982 6.008 352 3HG2 VAL 42 2HG2 VAL 42 -5.818 4.920 4.643 353 H GLY 43 H GLY 43 -6.758 6.976 0.398 354 1HA GLY 43 HA3 GLY 43 -8.235 9.527 0.520 355 2HA GLY 43 HA2 GLY 43 -8.614 8.196 -0.564 356 H LYS 44 H LYS 44 -5.362 9.330 0.047 357 HA LYS 44 HA LYS 44 -5.165 11.077 -2.169 358 1HB LYS 44 HB2 LYS 44 -3.058 9.626 -0.565 359 2HB LYS 44 HB3 LYS 44 -2.707 10.855 -1.766 360 1HG LYS 44 HG2 LYS 44 -4.061 12.460 -0.442 361 2HG LYS 44 HG3 LYS 44 -4.229 11.217 0.800 362 1HD LYS 44 HD2 LYS 44 -1.805 11.142 1.066 363 2HD LYS 44 HD3 LYS 44 -1.622 12.365 -0.194 364 1HE LYS 44 HE2 LYS 44 -3.051 12.731 2.434 365 2HE LYS 44 HE3 LYS 44 -1.447 13.346 2.037 366 1HZ LYS 44 HZ1 LYS 44 -3.975 14.109 0.678 367 2HZ LYS 44 HZ3 LYS 44 -3.131 15.057 1.797 368 3HZ LYS 44 HZ2 LYS 44 -2.436 14.700 0.298 369 H ASP 45 H ASP 45 -3.355 10.635 -3.851 370 HA ASP 45 HA ASP 45 -4.162 8.323 -5.353 371 1HB ASP 45 HB2 ASP 45 -2.328 10.650 -5.856 372 2HB ASP 45 HB3 ASP 45 -2.379 9.284 -6.958 373 H VAL 46 H VAL 46 -0.968 9.574 -4.419 374 HA VAL 46 HA VAL 46 0.081 6.835 -4.463 375 HB VAL 46 HB VAL 46 1.258 8.590 -5.782 376 1HG1 VAL 46 2HG1 VAL 46 0.891 10.480 -4.301 377 2HG1 VAL 46 1HG1 VAL 46 1.904 9.728 -3.067 378 3HG1 VAL 46 3HG1 VAL 46 2.616 10.248 -4.596 379 1HG2 VAL 46 2HG2 VAL 46 2.437 6.592 -5.049 380 2HG2 VAL 46 1HG2 VAL 46 3.513 7.989 -5.029 381 3HG2 VAL 46 3HG2 VAL 46 2.839 7.373 -3.520 382 H LEU 47 H LEU 47 1.046 5.901 -2.726 383 HA LEU 47 HA LEU 47 0.459 7.116 -0.137 384 1HB LEU 47 HB2 LEU 47 1.513 4.350 -0.549 385 2HB LEU 47 HB3 LEU 47 0.560 4.970 0.780 386 HG LEU 47 HG LEU 47 -0.463 4.507 -2.024 387 1HD1 LEU 47 2HD1 LEU 47 -0.879 2.929 0.512 388 2HD1 LEU 47 1HD1 LEU 47 -1.733 2.661 -1.009 389 3HD1 LEU 47 3HD1 LEU 47 0.010 2.407 -0.920 390 1HD2 LEU 47 3HD2 LEU 47 -1.891 5.331 0.499 391 2HD2 LEU 47 2HD2 LEU 47 -1.639 6.321 -0.938 392 3HD2 LEU 47 1HD2 LEU 47 -2.673 4.894 -1.020 393 H SER 48 H SER 48 3.103 5.442 -1.789 394 HA SER 48 HA SER 48 5.137 5.772 0.023 395 1HB SER 48 HB2 SER 48 6.635 5.419 -1.815 396 2HB SER 48 HB3 SER 48 5.187 4.472 -2.126 397 HG SER 48 HG SER 48 4.734 6.800 -3.202 398 H ASP 49 H ASP 49 7.170 7.179 -0.503 399 HA ASP 49 HA ASP 49 6.585 9.855 -1.422 400 1HB ASP 49 HB2 ASP 49 7.129 9.269 1.485 401 2HB ASP 49 HB3 ASP 49 7.429 10.852 0.771 402 H GLU 50 H GLU 50 8.995 8.971 0.975 403 HA GLU 50 HA GLU 50 11.083 9.072 -1.089 404 1HB GLU 50 HB2 GLU 50 12.448 10.469 0.347 405 2HB GLU 50 HB3 GLU 50 10.891 11.243 0.069 406 1HG GLU 50 HG2 GLU 50 10.111 10.522 2.248 407 2HG GLU 50 HG3 GLU 50 11.642 9.696 2.538 408 H ILE 51 H ILE 51 10.004 7.946 2.035 409 HA ILE 51 HA ILE 51 12.361 6.529 2.752 410 HB ILE 51 HB ILE 51 9.567 5.888 3.673 411 1HG1 ILE 51 2HG1 ILE 51 10.020 8.334 3.810 412 2HG1 ILE 51 3HG1 ILE 51 9.790 7.575 5.378 413 1HG2 ILE 51 2HG2 ILE 51 12.267 5.599 4.979 414 2HG2 ILE 51 1HG2 ILE 51 10.722 5.240 5.749 415 3HG2 ILE 51 3HG2 ILE 51 11.254 4.298 4.356 416 1HD1 ILE 51 1HD1 ILE 51 12.454 8.260 4.160 417 2HD1 ILE 51 3HD1 ILE 51 11.611 9.211 5.382 418 3HD1 ILE 51 2HD1 ILE 51 12.179 7.587 5.766 419 H LEU 52 H LEU 52 9.179 5.111 2.071 420 HA LEU 52 HA LEU 52 10.558 2.872 0.735 421 1HB LEU 52 HB2 LEU 52 7.908 2.968 2.173 422 2HB LEU 52 HB3 LEU 52 8.448 1.596 1.231 423 HG LEU 52 HG LEU 52 9.834 2.662 3.689 424 1HD1 LEU 52 1HD1 LEU 52 7.647 1.638 4.166 425 2HD1 LEU 52 3HD1 LEU 52 8.173 0.173 3.333 426 3HD1 LEU 52 2HD1 LEU 52 8.989 0.691 4.808 427 1HD2 LEU 52 1HD2 LEU 52 10.346 0.194 2.039 428 2HD2 LEU 52 3HD2 LEU 52 11.384 1.616 2.136 429 3HD2 LEU 52 2HD2 LEU 52 11.145 0.600 3.558 430 H GLU 53 H GLU 53 10.327 2.777 -1.415 431 HA GLU 53 HA GLU 53 8.446 4.358 -2.840 432 1HB GLU 53 HB2 GLU 53 10.625 2.517 -3.472 433 2HB GLU 53 HB3 GLU 53 9.285 2.393 -4.604 434 1HG GLU 53 HG2 GLU 53 10.091 5.126 -3.967 435 2HG GLU 53 HG3 GLU 53 11.323 4.165 -4.782 436 H VAL 54 H VAL 54 6.644 3.487 -1.460 437 HA VAL 54 HA VAL 54 5.698 0.842 -1.943 438 HB VAL 54 HB VAL 54 4.059 3.095 -0.823 439 1HG1 VAL 54 1HG1 VAL 54 2.910 1.002 -1.355 440 2HG1 VAL 54 3HG1 VAL 54 4.045 0.122 -0.332 441 3HG1 VAL 54 2HG1 VAL 54 2.946 1.300 0.383 442 1HG2 VAL 54 2HG2 VAL 54 6.310 1.580 0.419 443 2HG2 VAL 54 1HG2 VAL 54 5.902 3.289 0.548 444 3HG2 VAL 54 3HG2 VAL 54 4.944 2.086 1.413 445 H VAL 55 H VAL 55 5.518 0.747 -4.223 446 HA VAL 55 HA VAL 55 3.586 2.447 -5.541 447 HB VAL 55 HB VAL 55 4.882 -0.041 -6.635 448 1HG1 VAL 55 3HG1 VAL 55 2.862 0.918 -7.777 449 2HG1 VAL 55 2HG1 VAL 55 3.818 2.365 -8.097 450 3HG1 VAL 55 1HG1 VAL 55 4.311 0.815 -8.781 451 1HG2 VAL 55 3HG2 VAL 55 5.872 2.807 -6.776 452 2HG2 VAL 55 2HG2 VAL 55 6.629 1.483 -5.891 453 3HG2 VAL 55 1HG2 VAL 55 6.562 1.441 -7.652 454 H CYS 56 H CYS 56 1.724 2.001 -4.429 455 HA CYS 56 HA CYS 56 0.710 -0.748 -4.528 456 1HB CYS 56 HB2 CYS 56 0.749 0.101 -2.289 457 2HB CYS 56 HB3 CYS 56 -0.049 1.591 -2.780 458 HG CYS 56 HG CYS 56 -2.507 0.426 -3.282 459 H LYS 57 H LYS 57 -1.185 -1.258 -5.449 460 HA LYS 57 HA LYS 57 -2.734 0.882 -6.727 461 1HB LYS 57 HB2 LYS 57 -2.278 -1.791 -8.027 462 2HB LYS 57 HB3 LYS 57 -2.928 -0.330 -8.750 463 1HG LYS 57 HG2 LYS 57 -0.731 0.736 -8.568 464 2HG LYS 57 HG3 LYS 57 -0.080 -0.751 -7.870 465 1HD LYS 57 HD2 LYS 57 -0.640 -1.961 -9.922 466 2HD LYS 57 HD3 LYS 57 -1.299 -0.480 -10.618 467 1HE LYS 57 HE2 LYS 57 0.901 0.574 -10.466 468 2HE LYS 57 HE3 LYS 57 1.562 -0.902 -9.763 469 1HZ LYS 57 HZ1 LYS 57 0.389 -0.657 -12.481 470 2HZ LYS 57 HZ3 LYS 57 2.040 -0.759 -12.123 471 3HZ LYS 57 HZ2 LYS 57 1.024 -2.073 -11.807 472 H TYR 58 H TYR 58 -4.688 0.854 -5.896 473 HA TYR 58 HA TYR 58 -5.735 -1.516 -4.613 474 1HB TYR 58 HB2 TYR 58 -6.002 0.841 -3.694 475 2HB TYR 58 HB3 TYR 58 -7.144 1.132 -5.004 476 HD1 TYR 58 HD1 TYR 58 -8.733 -1.301 -5.088 477 HD2 TYR 58 HD2 TYR 58 -7.177 0.798 -1.711 478 HE1 TYR 58 HE1 TYR 58 -10.540 -2.219 -3.710 479 HE2 TYR 58 HE2 TYR 58 -9.006 -0.107 -0.332 480 HH TYR 58 HH TYR 58 -11.269 -1.015 -0.618 481 H THR 59 H THR 59 -6.699 -3.035 -5.776 482 HA THR 59 HA THR 59 -8.196 -2.239 -8.187 483 HB THR 59 HB THR 59 -7.092 -4.989 -7.605 484 HG1 THR 59 HG1 THR 59 -5.261 -4.398 -8.582 485 1HG2 THR 59 2HG2 THR 59 -8.942 -4.866 -9.225 486 2HG2 THR 59 1HG2 THR 59 -8.024 -3.695 -10.172 487 3HG2 THR 59 3HG2 THR 59 -7.429 -5.347 -9.993 488 HA PRO 60 HA PRO 60 -11.608 -4.018 -5.837 489 1HB PRO 60 HB2 PRO 60 -13.444 -2.257 -6.602 490 2HB PRO 60 HB3 PRO 60 -12.144 -1.773 -5.509 491 1HG PRO 60 HG2 PRO 60 -12.534 -1.148 -8.379 492 2HG PRO 60 HG3 PRO 60 -11.679 -0.225 -7.133 493 1HD PRO 60 HD2 PRO 60 -10.579 -2.020 -9.079 494 2HD PRO 60 HD3 PRO 60 -9.722 -1.091 -7.833 495 H THR 61 H THR 61 -10.733 -5.197 -8.332 496 HA THR 61 HA THR 61 -12.398 -5.303 -10.456 497 HB THR 61 HB THR 61 -11.673 -7.986 -9.461 498 HG1 THR 61 HG1 THR 61 -9.456 -6.626 -10.339 499 1HG2 THR 61 2HG2 THR 61 -11.107 -6.444 -11.994 500 2HG2 THR 61 1HG2 THR 61 -10.656 -8.127 -11.716 501 3HG2 THR 61 3HG2 THR 61 -12.358 -7.665 -11.760 502 HA PRO 62 HA PRO 62 -16.436 -6.501 -9.070 503 1HB PRO 62 HB2 PRO 62 -16.736 -7.817 -11.698 504 2HB PRO 62 HB3 PRO 62 -17.682 -6.509 -10.981 505 1HG PRO 62 HG2 PRO 62 -15.977 -6.057 -12.996 506 2HG PRO 62 HG3 PRO 62 -16.210 -4.876 -11.693 507 1HD PRO 62 HD2 PRO 62 -13.973 -6.822 -12.112 508 2HD PRO 62 HD3 PRO 62 -13.915 -5.140 -11.546 509 H SER 63 H SER 63 -17.915 -8.557 -9.354 510 HA SER 63 HA SER 63 -16.548 -10.702 -8.080 511 1HB SER 63 HB2 SER 63 -19.354 -10.600 -9.216 512 2HB SER 63 HB3 SER 63 -18.733 -11.840 -8.126 513 HG SER 63 HG SER 63 -19.926 -10.137 -7.075 514 H SER 64 H SER 64 -17.562 -13.012 -9.079 515 HA SER 64 HA SER 64 -15.871 -13.472 -11.336 516 1HB SER 64 HB2 SER 64 -16.166 -15.188 -9.615 517 2HB SER 64 HB3 SER 64 -17.884 -15.293 -9.995 518 HG SER 64 HG SER 64 -17.419 -16.229 -11.911 519 H THR 65 H THR 65 -19.343 -14.209 -10.956 520 HA THR 65 HA THR 65 -19.675 -13.923 -13.832 521 HB THR 65 HB THR 65 -21.669 -14.881 -11.778 522 HG1 THR 65 HG1 THR 65 -19.922 -16.322 -12.002 523 1HG2 THR 65 2HG2 THR 65 -21.724 -15.002 -14.796 524 2HG2 THR 65 1HG2 THR 65 -22.904 -15.746 -13.717 525 3HG2 THR 65 3HG2 THR 65 -22.751 -13.990 -13.779 526 HA PRO 66 HA PRO 66 -22.902 -10.720 -12.175 527 1HB PRO 66 HB2 PRO 66 -22.043 -10.121 -9.440 528 2HB PRO 66 HB3 PRO 66 -23.640 -10.581 -10.032 529 1HG PRO 66 HG2 PRO 66 -22.141 -12.241 -8.527 530 2HG PRO 66 HG3 PRO 66 -23.222 -12.837 -9.801 531 1HD PRO 66 HD2 PRO 66 -20.251 -12.423 -9.881 532 2HD PRO 66 HD3 PRO 66 -21.205 -13.793 -10.489 533 H MET 67 H MET 67 -22.662 -8.341 -11.143 534 HA MET 67 HA MET 67 -19.927 -7.371 -11.579 535 1HB MET 67 HB2 MET 67 -22.375 -6.192 -12.915 536 2HB MET 67 HB3 MET 67 -20.742 -5.547 -13.008 537 1HG MET 67 HG2 MET 67 -20.995 -6.669 -15.012 538 2HG MET 67 HG3 MET 67 -20.115 -7.822 -14.010 539 1HE MET 67 HE1 MET 67 -20.757 -9.762 -15.719 540 2HE MET 67 HE3 MET 67 -22.411 -10.118 -16.215 541 3HE MET 67 HE2 MET 67 -21.649 -8.606 -16.708 542 H VAL 68 H VAL 68 -22.084 -7.717 -9.411 543 HA VAL 68 HA VAL 68 -22.290 -4.945 -8.492 544 HB VAL 68 HB VAL 68 -24.321 -6.441 -8.581 545 1HG1 VAL 68 2HG1 VAL 68 -23.263 -8.495 -7.795 546 2HG1 VAL 68 1HG1 VAL 68 -22.991 -7.758 -6.217 547 3HG1 VAL 68 3HG1 VAL 68 -24.635 -8.053 -6.780 548 1HG2 VAL 68 2HG2 VAL 68 -23.557 -5.269 -5.906 549 2HG2 VAL 68 1HG2 VAL 68 -24.293 -4.403 -7.256 550 3HG2 VAL 68 3HG2 VAL 68 -25.197 -5.666 -6.420 551 H GLY 69 H GLY 69 -21.634 -4.340 -6.399 552 1HA GLY 69 HA3 GLY 69 -19.981 -6.262 -4.919 553 2HA GLY 69 HA2 GLY 69 -20.623 -4.755 -4.283 554 H VAL 70 H VAL 70 -18.664 -5.567 -7.147 555 HA VAL 70 HA VAL 70 -16.606 -4.875 -7.827 556 HB VAL 70 HB VAL 70 -17.603 -2.315 -6.578 557 1HG1 VAL 70 3HG1 VAL 70 -15.321 -2.739 -8.508 558 2HG1 VAL 70 2HG1 VAL 70 -15.969 -1.174 -8.024 559 3HG1 VAL 70 1HG1 VAL 70 -15.187 -2.211 -6.832 560 1HG2 VAL 70 2HG2 VAL 70 -19.049 -3.164 -8.333 561 2HG2 VAL 70 1HG2 VAL 70 -18.205 -1.715 -8.878 562 3HG2 VAL 70 3HG2 VAL 70 -17.671 -3.304 -9.424 563 H GLY 71 H GLY 71 -15.423 -6.254 -6.423 564 1HA GLY 71 HA3 GLY 71 -14.737 -6.157 -3.874 565 2HA GLY 71 HA2 GLY 71 -13.828 -4.783 -4.480 566 H GLY 72 H GLY 72 -11.766 -5.280 -4.741 567 1HA GLY 72 HA3 GLY 72 -10.236 -6.501 -6.267 568 2HA GLY 72 HA2 GLY 72 -11.094 -7.957 -5.800 569 H ILE 73 H ILE 73 -8.354 -6.229 -5.310 570 HA ILE 73 HA ILE 73 -8.038 -7.025 -2.515 571 HB ILE 73 HB ILE 73 -5.765 -7.900 -3.017 572 1HG1 ILE 73 2HG1 ILE 73 -6.599 -8.309 -5.852 573 2HG1 ILE 73 3HG1 ILE 73 -5.836 -6.793 -5.377 574 1HG2 ILE 73 3HG2 ILE 73 -7.716 -9.355 -2.605 575 2HG2 ILE 73 2HG2 ILE 73 -7.933 -9.482 -4.352 576 3HG2 ILE 73 1HG2 ILE 73 -6.459 -10.095 -3.597 577 1HD1 ILE 73 2HD1 ILE 73 -3.928 -8.071 -4.485 578 2HD1 ILE 73 1HD1 ILE 73 -4.684 -9.554 -5.071 579 3HD1 ILE 73 3HD1 ILE 73 -4.173 -8.314 -6.217 580 H TYR 74 H TYR 74 -5.371 -6.482 -2.233 581 HA TYR 74 HA TYR 74 -5.079 -3.682 -3.067 582 1HB TYR 74 HB2 TYR 74 -4.191 -4.592 -0.348 583 2HB TYR 74 HB3 TYR 74 -4.600 -2.969 -0.898 584 HD1 TYR 74 HD1 TYR 74 -5.974 -6.188 0.253 585 HD2 TYR 74 HD2 TYR 74 -6.888 -2.195 -0.885 586 HE1 TYR 74 HE1 TYR 74 -8.223 -6.445 1.190 587 HE2 TYR 74 HE2 TYR 74 -9.146 -2.449 0.059 588 HH TYR 74 HH TYR 74 -10.729 -4.248 0.589 589 H VAL 75 H VAL 75 -3.441 -3.932 -4.521 590 HA VAL 75 HA VAL 75 -1.215 -5.701 -3.960 591 HB VAL 75 HB VAL 75 -1.808 -3.925 -6.331 592 1HG1 VAL 75 1HG1 VAL 75 0.469 -5.858 -5.910 593 2HG1 VAL 75 3HG1 VAL 75 0.067 -5.078 -7.440 594 3HG1 VAL 75 2HG1 VAL 75 0.594 -4.106 -6.065 595 1HG2 VAL 75 3HG2 VAL 75 -3.273 -5.873 -6.102 596 2HG2 VAL 75 2HG2 VAL 75 -2.214 -6.018 -7.504 597 3HG2 VAL 75 1HG2 VAL 75 -1.858 -6.924 -6.034 598 H VAL 76 H VAL 76 0.385 -5.021 -2.727 599 HA VAL 76 HA VAL 76 1.165 -2.180 -2.892 600 HB VAL 76 HB VAL 76 1.544 -3.975 -0.499 601 1HG1 VAL 76 1HG1 VAL 76 1.946 -1.030 -0.976 602 2HG1 VAL 76 3HG1 VAL 76 1.887 -1.752 0.631 603 3HG1 VAL 76 2HG1 VAL 76 3.151 -2.227 -0.503 604 1HG2 VAL 76 2HG2 VAL 76 -0.841 -3.607 -0.925 605 2HG2 VAL 76 1HG2 VAL 76 -0.307 -2.774 0.535 606 3HG2 VAL 76 3HG2 VAL 76 -0.564 -1.866 -0.954 607 H LEU 77 H LEU 77 3.084 -1.831 -3.780 608 HA LEU 77 HA LEU 77 5.148 -3.922 -3.593 609 1HB LEU 77 HB2 LEU 77 4.765 -1.700 -5.597 610 2HB LEU 77 HB3 LEU 77 6.219 -2.679 -5.513 611 HG LEU 77 HG LEU 77 3.424 -3.673 -6.125 612 1HD1 LEU 77 1HD1 LEU 77 5.865 -3.394 -7.873 613 2HD1 LEU 77 3HD1 LEU 77 4.331 -4.123 -8.352 614 3HD1 LEU 77 2HD1 LEU 77 4.406 -2.406 -7.955 615 1HD2 LEU 77 1HD2 LEU 77 5.088 -5.196 -4.841 616 2HD2 LEU 77 3HD2 LEU 77 4.239 -5.830 -6.252 617 3HD2 LEU 77 2HD2 LEU 77 5.915 -5.301 -6.397 618 H VAL 78 H VAL 78 6.195 -3.425 -1.729 619 HA VAL 78 HA VAL 78 6.921 -0.633 -1.246 620 HB VAL 78 HB VAL 78 7.854 -2.567 0.734 621 1HG1 VAL 78 3HG1 VAL 78 7.754 -0.104 1.040 622 2HG1 VAL 78 2HG1 VAL 78 5.991 -0.192 0.953 623 3HG1 VAL 78 1HG1 VAL 78 6.852 -0.988 2.273 624 1HG2 VAL 78 3HG2 VAL 78 4.903 -2.361 0.154 625 2HG2 VAL 78 2HG2 VAL 78 5.900 -3.814 0.079 626 3HG2 VAL 78 1HG2 VAL 78 5.592 -3.035 1.631 627 H LYS 79 H LYS 79 8.666 -0.017 -2.320 628 HA LYS 79 HA LYS 79 10.982 -1.819 -2.454 629 1HB LYS 79 HB2 LYS 79 9.964 0.372 -4.202 630 2HB LYS 79 HB3 LYS 79 11.698 0.081 -4.156 631 1HG LYS 79 HG2 LYS 79 11.312 -2.257 -4.784 632 2HG LYS 79 HG3 LYS 79 9.569 -1.929 -4.888 633 1HD LYS 79 HD2 LYS 79 11.673 -0.482 -6.501 634 2HD LYS 79 HD3 LYS 79 10.767 -1.880 -7.084 635 1HE LYS 79 HE2 LYS 79 9.579 0.748 -6.198 636 2HE LYS 79 HE3 LYS 79 9.791 0.225 -7.868 637 1HZ LYS 79 HZ2 LYS 79 8.299 -1.634 -7.427 638 2HZ LYS 79 HZ1 LYS 79 8.079 -1.102 -5.837 639 3HZ LYS 79 HZ3 LYS 79 7.535 -0.155 -7.130 640 HA PRO 80 HA PRO 80 12.512 0.768 0.960 641 1HB PRO 80 HB2 PRO 80 14.901 -0.862 0.226 642 2HB PRO 80 HB3 PRO 80 14.234 -0.497 1.819 643 1HG PRO 80 HG2 PRO 80 13.843 -2.878 0.699 644 2HG PRO 80 HG3 PRO 80 12.557 -2.086 1.628 645 1HD PRO 80 HD2 PRO 80 12.838 -2.417 -1.317 646 2HD PRO 80 HD3 PRO 80 11.374 -2.359 -0.317 647 H ARG 81 H ARG 81 12.633 2.782 -0.023 648 HA ARG 81 HA ARG 81 14.556 3.375 -2.055 649 1HB ARG 81 HB2 ARG 81 12.327 4.684 -0.819 650 2HB ARG 81 HB3 ARG 81 13.715 5.765 -0.809 651 1HG ARG 81 HG2 ARG 81 13.971 5.439 -3.221 652 2HG ARG 81 HG3 ARG 81 12.560 4.378 -3.212 653 1HD ARG 81 HD2 ARG 81 11.143 6.179 -2.506 654 2HD ARG 81 HD3 ARG 81 12.528 7.252 -2.309 655 HE ARG 81 HE ARG 81 12.728 6.643 -4.888 656 1HH1 ARG 81 1HH1 ARG 81 9.944 7.551 -3.001 657 2HH1 ARG 81 2HH1 ARG 81 9.133 8.312 -4.328 658 1HH2 ARG 81 1HH2 ARG 81 11.667 7.641 -6.640 659 2HH2 ARG 81 2HH2 ARG 81 10.112 8.363 -6.397 660 H LYS 82 H LYS 82 14.393 3.660 1.430 661 HA LYS 82 HA LYS 82 17.152 4.696 1.436 662 1HB LYS 82 HB2 LYS 82 15.010 5.154 3.520 663 2HB LYS 82 HB3 LYS 82 16.654 5.773 3.579 664 1HG LYS 82 HG2 LYS 82 16.207 7.075 1.536 665 2HG LYS 82 HG3 LYS 82 14.538 6.502 1.567 666 1HD LYS 82 HD2 LYS 82 14.228 7.537 3.766 667 2HD LYS 82 HD3 LYS 82 15.893 8.119 3.723 668 1HE LYS 82 HE2 LYS 82 13.706 8.862 1.783 669 2HE LYS 82 HE3 LYS 82 14.317 9.876 3.091 670 1HZ LYS 82 HZ2 LYS 82 16.484 9.885 2.022 671 2HZ LYS 82 HZ1 LYS 82 15.897 8.916 0.768 672 3HZ LYS 82 HZ3 LYS 82 15.299 10.485 0.975 673 H ARG 83 H ARG 83 18.447 4.054 3.319 674 HA ARG 83 HA ARG 83 17.840 1.286 4.085 675 1HB ARG 83 HB2 ARG 83 20.472 2.767 4.178 676 2HB ARG 83 HB3 ARG 83 20.231 1.060 4.525 677 1HG ARG 83 HG2 ARG 83 19.635 0.617 2.248 678 2HG ARG 83 HG3 ARG 83 19.656 2.339 1.863 679 1HD ARG 83 HD2 ARG 83 22.045 2.424 2.347 680 2HD ARG 83 HD3 ARG 83 22.031 0.709 2.756 681 HE ARG 83 HE ARG 83 21.029 1.112 0.140 682 1HH1 ARG 83 1HH1 ARG 83 23.994 1.108 1.970 683 2HH1 ARG 83 2HH1 ARG 83 24.981 0.678 0.613 684 1HH2 ARG 83 1HH2 ARG 83 22.321 0.547 -1.652 685 2HH2 ARG 83 2HH2 ARG 83 24.030 0.360 -1.445 686 H GLY 84 H GLY 84 17.267 0.843 6.110 687 1HA GLY 84 HA3 GLY 84 17.503 2.950 8.126 688 2HA GLY 84 HA2 GLY 84 18.270 1.409 8.476 689 H HIS 85 H HIS 85 16.381 2.333 10.185 690 HA HIS 85 HA HIS 85 14.538 0.207 10.283 691 1HB HIS 85 HB2 HIS 85 14.594 2.839 11.769 692 2HB HIS 85 HB3 HIS 85 13.484 1.524 12.140 693 HD1 HIS 85 HD1 HIS 85 14.323 0.743 14.355 694 HD2 HIS 85 HD2 HIS 85 17.373 1.137 11.561 695 HE1 HIS 85 HE1 HIS 85 16.377 -0.191 15.466 696 HE2 HIS 85 HE2 HIS 85 18.190 -0.020 13.725 697 H HIS 86 H HIS 86 13.125 0.007 8.632 698 HA HIS 86 HA HIS 86 11.186 2.182 8.298 699 1HB HIS 86 HB2 HIS 86 12.421 0.643 6.004 700 2HB HIS 86 HB3 HIS 86 11.174 1.880 5.871 701 HD1 HIS 86 HD1 HIS 86 12.262 4.139 7.504 702 HD2 HIS 86 HD2 HIS 86 14.670 1.803 5.053 703 HE1 HIS 86 HE1 HIS 86 14.289 5.545 7.016 704 HE2 HIS 86 HE2 HIS 86 15.689 4.145 5.458 705 H THR 87 H THR 87 9.152 1.469 7.292 706 HA THR 87 HA THR 87 8.575 -1.326 7.114 707 HB THR 87 HB THR 87 7.585 0.198 9.524 708 HG1 THR 87 HG1 THR 87 9.090 -2.199 9.201 709 1HG2 THR 87 1HG2 THR 87 5.731 -1.040 8.512 710 2HG2 THR 87 3HG2 THR 87 6.705 -2.507 8.517 711 3HG2 THR 87 2HG2 THR 87 6.225 -1.767 10.041 712 H LEU 88 H LEU 88 6.582 -1.747 6.191 713 HA LEU 88 HA LEU 88 5.331 0.498 4.885 714 1HB LEU 88 HB2 LEU 88 5.561 -1.582 3.667 715 2HB LEU 88 HB3 LEU 88 4.657 -2.438 4.898 716 HG LEU 88 HG LEU 88 2.674 -0.995 4.316 717 1HD1 LEU 88 2HD1 LEU 88 3.903 0.807 3.216 718 2HD1 LEU 88 1HD1 LEU 88 4.385 -0.304 1.935 719 3HD1 LEU 88 3HD1 LEU 88 2.684 0.109 2.151 720 1HD2 LEU 88 2HD2 LEU 88 2.943 -3.320 3.556 721 2HD2 LEU 88 1HD2 LEU 88 2.073 -2.323 2.390 722 3HD2 LEU 88 3HD2 LEU 88 3.764 -2.734 2.112 723 H GLU 89 H GLU 89 4.108 1.766 6.134 724 HA GLU 89 HA GLU 89 2.493 0.667 8.258 725 1HB GLU 89 HB2 GLU 89 2.791 3.489 7.223 726 2HB GLU 89 HB3 GLU 89 1.843 3.037 8.635 727 1HG GLU 89 HG2 GLU 89 3.885 2.145 9.676 728 2HG GLU 89 HG3 GLU 89 4.814 2.713 8.292 729 H LEU 90 H LEU 90 0.849 -0.530 7.415 730 HA LEU 90 HA LEU 90 -0.955 0.795 5.513 731 1HB LEU 90 HB2 LEU 90 -0.605 -2.105 6.254 732 2HB LEU 90 HB3 LEU 90 -1.972 -1.529 5.322 733 HG LEU 90 HG LEU 90 0.935 -1.501 4.515 734 1HD1 LEU 90 3HD1 LEU 90 -0.257 -3.630 4.264 735 2HD1 LEU 90 2HD1 LEU 90 -1.484 -2.820 3.294 736 3HD1 LEU 90 1HD1 LEU 90 0.174 -2.927 2.706 737 1HD2 LEU 90 1HD2 LEU 90 -1.431 -0.267 3.109 738 2HD2 LEU 90 3HD2 LEU 90 -0.048 0.589 3.791 739 3HD2 LEU 90 2HD2 LEU 90 0.173 -0.481 2.407 740 H VAL 91 H VAL 91 -3.358 0.168 5.907 741 HA VAL 91 HA VAL 91 -4.113 -0.306 8.627 742 HB VAL 91 HB VAL 91 -3.335 2.005 8.847 743 1HG1 VAL 91 3HG1 VAL 91 -5.385 2.621 6.723 744 2HG1 VAL 91 2HG1 VAL 91 -4.517 3.826 7.676 745 3HG1 VAL 91 1HG1 VAL 91 -3.633 2.768 6.576 746 1HG2 VAL 91 3HG2 VAL 91 -6.320 1.648 9.033 747 2HG2 VAL 91 2HG2 VAL 91 -5.122 1.391 10.300 748 3HG2 VAL 91 1HG2 VAL 91 -5.447 3.018 9.715 749 H TYR 92 H TYR 92 -6.341 -0.529 8.918 750 HA TYR 92 HA TYR 92 -7.906 -0.733 6.444 751 1HB TYR 92 HB2 TYR 92 -7.574 -2.667 8.181 752 2HB TYR 92 HB3 TYR 92 -8.788 -1.799 9.111 753 HD1 TYR 92 HD1 TYR 92 -10.731 -3.054 9.022 754 HD2 TYR 92 HD2 TYR 92 -8.523 -2.430 5.440 755 HE1 TYR 92 HE1 TYR 92 -12.506 -4.173 7.739 756 HE2 TYR 92 HE2 TYR 92 -10.291 -3.545 4.147 757 HH TYR 92 HH TYR 92 -12.101 -5.170 4.525 758 H THR 93 H THR 93 -8.550 1.404 6.180 759 HA THR 93 HA THR 93 -10.271 2.510 8.311 760 HB THR 93 HB THR 93 -8.323 3.843 8.336 761 HG1 THR 93 HG1 THR 93 -10.564 4.876 7.863 762 1HG2 THR 93 3HG2 THR 93 -8.457 3.512 5.380 763 2HG2 THR 93 2HG2 THR 93 -7.722 4.979 6.032 764 3HG2 THR 93 1HG2 THR 93 -7.071 3.396 6.466 765 H ARG 94 H ARG 94 -11.804 4.161 7.566 766 HA ARG 94 HA ARG 94 -12.931 3.437 4.956 767 1HB ARG 94 HB2 ARG 94 -14.215 4.967 7.229 768 2HB ARG 94 HB3 ARG 94 -15.016 4.402 5.770 769 1HG ARG 94 HG2 ARG 94 -14.506 2.072 6.459 770 2HG ARG 94 HG3 ARG 94 -13.863 2.709 7.973 771 1HD ARG 94 HD2 ARG 94 -16.166 1.949 8.240 772 2HD ARG 94 HD3 ARG 94 -16.031 3.687 8.498 773 HE ARG 94 HE ARG 94 -16.686 3.395 5.849 774 1HH1 ARG 94 1HH1 ARG 94 -18.099 2.461 8.894 775 2HH1 ARG 94 2HH1 ARG 94 -19.727 2.534 8.307 776 1HH2 ARG 94 1HH2 ARG 94 -18.825 3.494 5.069 777 2HH2 ARG 94 2HH2 ARG 94 -20.140 3.120 6.133 778 HA PRO 95 HA PRO 95 -10.671 7.272 3.715 779 1HB PRO 95 HB2 PRO 95 -12.301 6.401 1.349 780 2HB PRO 95 HB3 PRO 95 -10.667 7.071 1.394 781 1HG PRO 95 HG2 PRO 95 -11.044 4.443 1.131 782 2HG PRO 95 HG3 PRO 95 -9.730 5.079 2.137 783 1HD PRO 95 HD2 PRO 95 -12.265 3.781 2.946 784 2HD PRO 95 HD3 PRO 95 -10.714 3.872 3.799 785 H PHE 96 H PHE 96 -14.080 6.459 3.242 786 HA PHE 96 HA PHE 96 -14.988 9.036 2.614 787 1HB PHE 96 HB2 PHE 96 -16.817 7.219 4.075 788 2HB PHE 96 HB3 PHE 96 -17.049 8.086 2.567 789 HD1 PHE 96 HD1 PHE 96 -15.211 7.195 0.697 790 HD2 PHE 96 HD2 PHE 96 -17.000 4.953 3.843 791 HE1 PHE 96 HE1 PHE 96 -14.823 5.120 -0.566 792 HE2 PHE 96 HE2 PHE 96 -16.615 2.875 2.583 793 HZ PHE 96 HZ PHE 96 -15.527 2.957 0.377 794 H GLU 97 H GLU 97 -14.823 7.296 5.714 795 HA GLU 97 HA GLU 97 -15.685 9.708 7.119 796 1HB GLU 97 HB2 GLU 97 -15.147 6.920 8.160 797 2HB GLU 97 HB3 GLU 97 -15.765 8.258 9.119 798 1HG GLU 97 HG2 GLU 97 -17.736 8.351 7.614 799 2HG GLU 97 HG3 GLU 97 -17.127 6.908 6.801 800 H GLY 98 H GLY 98 -13.435 7.360 8.436 801 1HA GLY 98 HA3 GLY 98 -11.792 9.081 9.769 802 2HA GLY 98 HA2 GLY 98 -11.110 9.030 8.148 803 H ILE 99 H ILE 99 -9.406 8.228 9.878 804 HA ILE 99 HA ILE 99 -9.278 5.368 9.435 805 HB ILE 99 HB ILE 99 -7.107 7.127 10.508 806 1HG1 ILE 99 2HG1 ILE 99 -7.575 6.325 7.630 807 2HG1 ILE 99 3HG1 ILE 99 -8.041 7.893 8.285 808 1HG2 ILE 99 1HG2 ILE 99 -7.387 4.307 9.843 809 2HG2 ILE 99 3HG2 ILE 99 -6.012 5.071 9.041 810 3HG2 ILE 99 2HG2 ILE 99 -6.150 5.129 10.798 811 1HD1 ILE 99 2HD1 ILE 99 -5.693 8.354 8.808 812 2HD1 ILE 99 1HD1 ILE 99 -5.237 6.788 8.140 813 3HD1 ILE 99 3HD1 ILE 99 -5.929 8.026 7.091 814 H LYS 100 H LYS 100 -8.457 7.494 12.117 815 HA LYS 100 HA LYS 100 -8.682 7.244 14.381 816 1HB LYS 100 HB2 LYS 100 -10.438 4.882 13.717 817 2HB LYS 100 HB3 LYS 100 -10.360 5.729 15.243 818 1HG LYS 100 HG2 LYS 100 -11.354 7.680 14.311 819 2HG LYS 100 HG3 LYS 100 -11.196 7.042 12.674 820 1HD LYS 100 HD2 LYS 100 -12.783 5.524 14.699 821 2HD LYS 100 HD3 LYS 100 -13.496 6.935 13.914 822 1HE LYS 100 HE2 LYS 100 -13.182 5.957 11.741 823 2HE LYS 100 HE3 LYS 100 -12.281 4.606 12.434 824 1HZ LYS 100 HZ1 LYS 100 -14.288 3.920 13.599 825 2HZ LYS 100 HZ3 LYS 100 -15.149 5.209 12.919 826 3HZ LYS 100 HZ2 LYS 100 -14.550 3.975 11.930 827 HA PRO 101 HA PRO 101 -5.658 4.261 15.531 828 1HB PRO 101 HB2 PRO 101 -6.046 4.078 18.183 829 2HB PRO 101 HB3 PRO 101 -5.460 5.564 17.432 830 1HG PRO 101 HG2 PRO 101 -8.233 4.852 18.313 831 2HG PRO 101 HG3 PRO 101 -7.336 6.358 18.556 832 1HD PRO 101 HD2 PRO 101 -9.201 6.017 16.594 833 2HD PRO 101 HD3 PRO 101 -7.821 7.128 16.451 834 H GLU 102 H GLU 102 -8.937 3.629 16.670 835 HA GLU 102 HA GLU 102 -8.646 1.007 17.519 836 1HB GLU 102 HB2 GLU 102 -11.092 0.790 16.991 837 2HB GLU 102 HB3 GLU 102 -10.660 2.150 18.021 838 1HG GLU 102 HG2 GLU 102 -10.743 3.632 16.095 839 2HG GLU 102 HG3 GLU 102 -11.184 2.271 15.068 840 H ASN 103 H ASN 103 -9.090 2.282 14.273 841 HA ASN 103 HA ASN 103 -9.741 -0.054 12.918 842 1HB ASN 103 HB2 ASN 103 -8.228 2.404 12.086 843 2HB ASN 103 HB3 ASN 103 -8.473 1.068 10.967 844 1HD2 ASN 103 1HD2 ASN 103 -10.864 1.737 13.370 845 2HD2 ASN 103 2HD2 ASN 103 -12.043 2.414 12.307 846 H GLU 104 H GLU 104 -8.523 -1.559 11.716 847 HA GLU 104 HA GLU 104 -6.299 -2.623 13.051 848 1HB GLU 104 HB2 GLU 104 -8.119 -3.511 11.189 849 2HB GLU 104 HB3 GLU 104 -6.619 -3.466 10.270 850 1HG GLU 104 HG2 GLU 104 -5.549 -4.816 12.004 851 2HG GLU 104 HG3 GLU 104 -7.081 -4.920 12.858 852 H ARG 105 H ARG 105 -4.348 -3.350 11.577 853 HA ARG 105 HA ARG 105 -3.350 -1.342 9.775 854 1HB ARG 105 HB2 ARG 105 -2.486 -0.043 11.413 855 2HB ARG 105 HB3 ARG 105 -2.670 -1.298 12.629 856 1HG ARG 105 HG2 ARG 105 -0.429 -1.290 12.664 857 2HG ARG 105 HG3 ARG 105 -0.570 -2.255 11.191 858 1HD ARG 105 HD2 ARG 105 0.092 -0.552 9.853 859 2HD ARG 105 HD3 ARG 105 -0.696 0.674 10.845 860 HE ARG 105 HE ARG 105 1.700 -0.569 11.940 861 1HH1 ARG 105 1HH1 ARG 105 0.247 2.154 10.323 862 2HH1 ARG 105 2HH1 ARG 105 1.548 3.234 10.697 863 1HH2 ARG 105 1HH2 ARG 105 3.415 0.845 12.439 864 2HH2 ARG 105 2HH2 ARG 105 3.349 2.490 11.901 865 H TYR 106 H TYR 106 -1.136 -1.935 8.982 866 HA TYR 106 HA TYR 106 -0.279 -4.653 9.553 867 1HB TYR 106 HB2 TYR 106 -1.772 -5.138 7.772 868 2HB TYR 106 HB3 TYR 106 -1.199 -3.774 6.815 869 HD1 TYR 106 HD1 TYR 106 -0.751 -7.231 7.702 870 HD2 TYR 106 HD2 TYR 106 1.089 -3.922 5.767 871 HE1 TYR 106 HE1 TYR 106 0.796 -8.759 6.576 872 HE2 TYR 106 HE2 TYR 106 2.649 -5.446 4.634 873 HH TYR 106 HH TYR 106 3.581 -7.702 4.952 874 H THR 107 H THR 107 1.776 -4.463 10.001 875 HA THR 107 HA THR 107 3.360 -2.369 8.711 876 HB THR 107 HB THR 107 4.930 -3.377 10.687 877 HG1 THR 107 HG1 THR 107 3.465 -4.734 11.601 878 1HG2 THR 107 1HG2 THR 107 4.397 -1.005 10.305 879 2HG2 THR 107 3HG2 THR 107 2.802 -1.259 11.008 880 3HG2 THR 107 2HG2 THR 107 4.243 -1.432 12.009 881 H LEU 108 H LEU 108 4.923 -2.874 7.281 882 HA LEU 108 HA LEU 108 5.657 -5.700 6.995 883 1HB LEU 108 HB2 LEU 108 4.892 -4.540 4.970 884 2HB LEU 108 HB3 LEU 108 6.194 -3.381 5.144 885 HG LEU 108 HG LEU 108 7.849 -5.089 4.715 886 1HD1 LEU 108 3HD1 LEU 108 5.522 -6.998 4.557 887 2HD1 LEU 108 2HD1 LEU 108 7.188 -7.382 4.125 888 3HD1 LEU 108 1HD1 LEU 108 6.780 -6.979 5.794 889 1HD2 LEU 108 3HD2 LEU 108 6.855 -3.970 2.793 890 2HD2 LEU 108 2HD2 LEU 108 7.294 -5.635 2.408 891 3HD2 LEU 108 1HD2 LEU 108 5.607 -5.214 2.708 892 H HIS 109 H HIS 109 7.261 -6.275 8.177 893 HA HIS 109 HA HIS 109 9.169 -4.835 9.497 894 1HB HIS 109 HB2 HIS 109 10.462 -7.102 9.331 895 2HB HIS 109 HB3 HIS 109 8.918 -7.051 10.162 896 HD1 HIS 109 HD1 HIS 109 10.632 -8.463 7.192 897 HD2 HIS 109 HD2 HIS 109 6.796 -8.335 8.782 898 HE1 HIS 109 HE1 HIS 109 9.322 -10.197 5.927 899 HE2 HIS 109 HE2 HIS 109 7.027 -10.162 6.967 900 H LEU 110 H LEU 110 9.827 -3.196 7.720 901 HA LEU 110 HA LEU 110 11.907 -4.358 5.987 902 1HB LEU 110 HB2 LEU 110 10.328 -1.815 5.645 903 2HB LEU 110 HB3 LEU 110 11.629 -2.329 4.592 904 HG LEU 110 HG LEU 110 9.067 -3.866 5.019 905 1HD1 LEU 110 2HD1 LEU 110 9.912 -2.067 2.754 906 2HD1 LEU 110 1HD1 LEU 110 8.488 -3.106 2.753 907 3HD1 LEU 110 3HD1 LEU 110 8.605 -1.772 3.900 908 1HD2 LEU 110 3HD2 LEU 110 10.952 -5.279 4.401 909 2HD2 LEU 110 2HD2 LEU 110 9.800 -5.149 3.071 910 3HD2 LEU 110 1HD2 LEU 110 11.304 -4.227 3.030 911 H ASN 111 H ASN 111 13.107 -4.138 8.205 912 HA ASN 111 HA ASN 111 14.104 -1.498 8.787 913 1HB ASN 111 HB2 ASN 111 13.876 -3.156 10.585 914 2HB ASN 111 HB3 ASN 111 15.024 -4.212 9.771 915 1HD2 ASN 111 1HD2 ASN 111 16.370 -4.205 11.575 916 2HD2 ASN 111 2HD2 ASN 111 17.358 -2.844 11.967 917 H VAL 112 H VAL 112 14.487 -1.776 6.236 918 HA VAL 112 HA VAL 112 16.381 -2.939 4.858 919 HB VAL 112 HB VAL 112 16.547 0.048 4.827 920 1HG1 VAL 112 1HG1 VAL 112 17.819 -1.338 3.216 921 2HG1 VAL 112 3HG1 VAL 112 16.289 -1.978 2.615 922 3HG1 VAL 112 2HG1 VAL 112 16.654 -0.261 2.444 923 1HG2 VAL 112 3HG2 VAL 112 14.155 -1.582 3.985 924 2HG2 VAL 112 2HG2 VAL 112 14.205 -0.308 5.204 925 3HG2 VAL 112 1HG2 VAL 112 14.440 0.091 3.504 926 H LYS 113 H LYS 113 18.538 -3.199 4.710 927 HA LYS 113 HA LYS 113 20.158 -2.584 6.961 928 1HB LYS 113 HB2 LYS 113 20.881 -3.634 4.223 929 2HB LYS 113 HB3 LYS 113 22.004 -3.530 5.570 930 1HG LYS 113 HG2 LYS 113 19.466 -4.994 6.016 931 2HG LYS 113 HG3 LYS 113 20.685 -5.751 4.989 932 1HD LYS 113 HD2 LYS 113 21.097 -6.532 7.183 933 2HD LYS 113 HD3 LYS 113 22.340 -5.325 6.850 934 1HE LYS 113 HE2 LYS 113 21.086 -3.660 8.104 935 2HE LYS 113 HE3 LYS 113 19.801 -4.832 8.401 936 1HZ LYS 113 HZ1 LYS 113 21.375 -6.184 9.641 937 2HZ LYS 113 HZ3 LYS 113 22.605 -5.056 9.358 938 3HZ LYS 113 HZ2 LYS 113 21.269 -4.632 10.304 No H/Q in entry = 938 Start of MODEL 34 1 H1 GLY -2 HT3 GLY -2 -16.079 0.165 29.936 2 H2 GLY -2 HT2 GLY -2 -16.060 -0.744 31.361 3 H3 GLY -2 HT1 GLY -2 -17.419 0.181 30.969 4 1HA GLY -2 HA2 GLY -2 -16.134 1.272 32.690 5 2HA GLY -2 HA3 GLY -2 -16.161 2.219 31.211 6 H SER -1 H SER -1 -14.270 -0.173 30.298 7 HA SER -1 HA SER -1 -11.841 1.298 30.958 8 1HB SER -1 HB2 SER -1 -10.641 -0.762 31.607 9 2HB SER -1 HB3 SER -1 -11.970 -0.406 32.710 10 HG SER -1 HG SER -1 -13.218 -1.912 31.358 11 H HIS 0 H HIS 0 -10.170 1.038 29.468 12 HA HIS 0 HA HIS 0 -10.770 -0.618 27.113 13 1HB HIS 0 HB2 HIS 0 -9.769 2.238 27.064 14 2HB HIS 0 HB3 HIS 0 -9.952 1.198 25.654 15 HD1 HIS 0 HD1 HIS 0 -11.804 3.490 27.845 16 HD2 HIS 0 HD2 HIS 0 -12.696 0.588 25.008 17 HE1 HIS 0 HE1 HIS 0 -14.213 3.868 27.233 18 HE2 HIS 0 HE2 HIS 0 -14.755 2.046 25.578 19 H MET 1 H MET 1 -8.804 -0.844 25.674 20 HA MET 1 HA MET 1 -6.498 -1.419 27.378 21 1HB MET 1 HB2 MET 1 -7.104 -2.277 24.542 22 2HB MET 1 HB3 MET 1 -5.714 -2.795 25.488 23 1HG MET 1 HG2 MET 1 -7.213 -3.855 27.103 24 2HG MET 1 HG3 MET 1 -8.601 -3.347 26.140 25 1HE MET 1 HE1 MET 1 -8.085 -6.355 27.046 26 2HE MET 1 HE3 MET 1 -9.472 -5.872 26.069 27 3HE MET 1 HE2 MET 1 -8.466 -7.229 25.563 28 H ILE 2 H ILE 2 -4.356 -1.324 25.886 29 HA ILE 2 HA ILE 2 -3.840 1.453 25.566 30 HB ILE 2 HB ILE 2 -2.066 -0.001 26.311 31 1HG1 ILE 2 2HG1 ILE 2 -0.276 0.622 24.701 32 2HG1 ILE 2 3HG1 ILE 2 -1.516 1.100 23.546 33 1HG2 ILE 2 3HG2 ILE 2 -2.779 -2.037 25.162 34 2HG2 ILE 2 2HG2 ILE 2 -2.253 -1.352 23.624 35 3HG2 ILE 2 1HG2 ILE 2 -1.070 -1.701 24.884 36 1HD1 ILE 2 3HD1 ILE 2 -1.062 2.339 26.249 37 2HD1 ILE 2 2HD1 ILE 2 -0.581 3.023 24.696 38 3HD1 ILE 2 1HD1 ILE 2 -2.291 2.823 25.081 39 H ALA 3 H ALA 3 -4.474 -1.191 23.326 40 HA ALA 3 HA ALA 3 -5.325 0.584 21.285 41 1HB ALA 3 HB2 ALA 3 -2.917 0.935 21.032 42 2HB ALA 3 HB1 ALA 3 -2.694 -0.793 20.764 43 3HB ALA 3 HB3 ALA 3 -3.618 0.166 19.609 44 HA PRO 4 HA PRO 4 -5.335 -4.064 19.678 45 1HB PRO 4 HB2 PRO 4 -4.881 -5.436 22.270 46 2HB PRO 4 HB3 PRO 4 -4.292 -5.852 20.658 47 1HG PRO 4 HG2 PRO 4 -2.654 -4.807 22.481 48 2HG PRO 4 HG3 PRO 4 -2.530 -4.349 20.771 49 1HD PRO 4 HD2 PRO 4 -3.745 -2.845 23.056 50 2HD PRO 4 HD3 PRO 4 -2.768 -2.242 21.703 51 H LEU 5 H LEU 5 -7.249 -5.202 19.595 52 HA LEU 5 HA LEU 5 -9.258 -4.434 21.591 53 1HB LEU 5 HB2 LEU 5 -9.496 -5.412 18.751 54 2HB LEU 5 HB3 LEU 5 -10.875 -5.285 19.826 55 HG LEU 5 HG LEU 5 -10.339 -2.830 20.068 56 1HD1 LEU 5 1HD1 LEU 5 -8.484 -3.438 17.770 57 2HD1 LEU 5 3HD1 LEU 5 -8.952 -1.824 18.304 58 3HD1 LEU 5 2HD1 LEU 5 -8.019 -2.870 19.374 59 1HD2 LEU 5 1HD2 LEU 5 -10.987 -3.856 17.309 60 2HD2 LEU 5 3HD2 LEU 5 -12.132 -3.629 18.629 61 3HD2 LEU 5 2HD2 LEU 5 -11.326 -2.234 17.911 62 H SER 6 H SER 6 -8.278 -7.268 19.666 63 HA SER 6 HA SER 6 -8.876 -8.974 21.959 64 1HB SER 6 HB2 SER 6 -10.012 -9.451 19.192 65 2HB SER 6 HB3 SER 6 -10.120 -10.578 20.545 66 HG SER 6 HG SER 6 -11.713 -9.453 21.318 67 H VAL 7 H VAL 7 -8.240 -9.727 18.547 68 HA VAL 7 HA VAL 7 -5.509 -10.518 19.184 69 HB VAL 7 HB VAL 7 -5.886 -12.734 17.984 70 1HG1 VAL 7 1HG1 VAL 7 -7.151 -12.308 20.688 71 2HG1 VAL 7 3HG1 VAL 7 -6.631 -13.860 20.034 72 3HG1 VAL 7 2HG1 VAL 7 -5.442 -12.602 20.367 73 1HG2 VAL 7 1HG2 VAL 7 -8.755 -12.104 18.671 74 2HG2 VAL 7 3HG2 VAL 7 -8.079 -12.262 17.049 75 3HG2 VAL 7 2HG2 VAL 7 -8.153 -13.666 18.114 76 H LYS 8 H LYS 8 -4.295 -9.618 17.660 77 HA LYS 8 HA LYS 8 -4.839 -10.037 14.884 78 1HB LYS 8 HB2 LYS 8 -4.760 -7.570 14.365 79 2HB LYS 8 HB3 LYS 8 -6.245 -8.147 15.099 80 1HG LYS 8 HG2 LYS 8 -5.995 -6.382 16.450 81 2HG LYS 8 HG3 LYS 8 -4.839 -7.414 17.295 82 1HD LYS 8 HD2 LYS 8 -3.710 -5.379 16.952 83 2HD LYS 8 HD3 LYS 8 -3.081 -6.471 15.715 84 1HE LYS 8 HE2 LYS 8 -3.543 -4.270 14.778 85 2HE LYS 8 HE3 LYS 8 -4.600 -5.493 14.072 86 1HZ LYS 8 HZ2 LYS 8 -6.363 -4.773 15.560 87 2HZ LYS 8 HZ1 LYS 8 -5.349 -3.601 16.236 88 3HZ LYS 8 HZ3 LYS 8 -5.817 -3.482 14.614 89 H ASP 9 H ASP 9 -2.973 -10.307 13.896 90 HA ASP 9 HA ASP 9 -0.568 -9.106 15.094 91 1HB ASP 9 HB2 ASP 9 -0.726 -11.600 15.345 92 2HB ASP 9 HB3 ASP 9 -0.685 -11.721 13.588 93 H ASN 10 H ASN 10 0.241 -7.576 13.817 94 HA ASN 10 HA ASN 10 0.177 -7.983 10.916 95 1HB ASN 10 HB2 ASN 10 0.079 -5.275 11.147 96 2HB ASN 10 HB3 ASN 10 -1.319 -6.309 10.880 97 1HD2 ASN 10 1HD2 ASN 10 0.349 -4.249 13.056 98 2HD2 ASN 10 2HD2 ASN 10 -0.830 -4.255 14.321 99 H ASP 11 H ASP 11 1.351 -5.191 12.590 100 HA ASP 11 HA ASP 11 3.547 -4.514 11.410 101 1HB ASP 11 HB2 ASP 11 4.614 -4.156 13.764 102 2HB ASP 11 HB3 ASP 11 3.159 -3.283 13.307 103 H LYS 12 H LYS 12 4.911 -5.738 10.373 104 HA LYS 12 HA LYS 12 6.203 -7.988 11.731 105 1HB LYS 12 HB2 LYS 12 5.316 -8.688 9.661 106 2HB LYS 12 HB3 LYS 12 5.865 -7.236 8.837 107 1HG LYS 12 HG2 LYS 12 8.136 -7.962 8.940 108 2HG LYS 12 HG3 LYS 12 7.699 -9.348 9.941 109 1HD LYS 12 HD2 LYS 12 6.456 -10.332 8.138 110 2HD LYS 12 HD3 LYS 12 6.675 -8.891 7.142 111 1HE LYS 12 HE2 LYS 12 9.080 -9.282 7.093 112 2HE LYS 12 HE3 LYS 12 8.879 -10.707 8.111 113 1HZ LYS 12 HZ3 LYS 12 7.752 -10.358 5.386 114 2HZ LYS 12 HZ2 LYS 12 9.091 -11.310 5.785 115 3HZ LYS 12 HZ1 LYS 12 7.557 -11.725 6.363 116 H TRP 13 H TRP 13 7.804 -7.122 12.923 117 HA TRP 13 HA TRP 13 9.515 -5.040 11.908 118 1HB TRP 13 HB2 TRP 13 9.890 -6.507 14.503 119 2HB TRP 13 HB3 TRP 13 10.269 -4.837 14.108 120 HD1 TRP 13 HD1 TRP 13 7.165 -7.068 14.687 121 HE1 TRP 13 HE1 TRP 13 5.244 -5.590 15.539 122 HE3 TRP 13 HE3 TRP 13 9.469 -2.505 14.439 123 HZ2 TRP 13 HZ2 TRP 13 4.745 -2.855 16.030 124 HZ3 TRP 13 HZ3 TRP 13 8.203 -0.512 15.133 125 HH2 TRP 13 HH2 TRP 13 5.897 -0.686 15.918 126 H VAL 14 H VAL 14 10.939 -5.685 10.388 127 HA VAL 14 HA VAL 14 12.929 -7.676 11.186 128 HB VAL 14 HB VAL 14 12.793 -8.897 9.047 129 1HG1 VAL 14 2HG1 VAL 14 11.688 -9.786 11.043 130 2HG1 VAL 14 1HG1 VAL 14 10.210 -8.933 10.601 131 3HG1 VAL 14 3HG1 VAL 14 10.824 -10.225 9.570 132 1HG2 VAL 14 2HG2 VAL 14 11.705 -7.084 7.761 133 2HG2 VAL 14 1HG2 VAL 14 10.911 -8.647 7.570 134 3HG2 VAL 14 3HG2 VAL 14 10.201 -7.420 8.619 135 H ASP 15 H ASP 15 14.278 -7.974 8.829 136 HA ASP 15 HA ASP 15 15.218 -5.235 8.290 137 1HB ASP 15 HB2 ASP 15 16.645 -7.366 9.218 138 2HB ASP 15 HB3 ASP 15 16.917 -7.502 7.481 139 H THR 16 H THR 16 16.704 -5.651 6.026 140 HA THR 16 HA THR 16 15.615 -7.110 3.940 141 HB THR 16 HB THR 16 13.608 -5.572 4.553 142 HG1 THR 16 HG1 THR 16 13.760 -5.220 1.919 143 1HG2 THR 16 3HG2 THR 16 14.977 -3.487 4.550 144 2HG2 THR 16 2HG2 THR 16 15.158 -3.673 2.806 145 3HG2 THR 16 1HG2 THR 16 13.560 -3.420 3.504 146 H HIS 17 H HIS 17 15.847 -5.639 1.733 147 HA HIS 17 HA HIS 17 18.476 -4.322 1.934 148 1HB HIS 17 HB2 HIS 17 17.422 -6.092 -0.281 149 2HB HIS 17 HB3 HIS 17 18.915 -5.171 -0.374 150 HD1 HIS 17 HD1 HIS 17 17.424 -8.219 1.169 151 HD2 HIS 17 HD2 HIS 17 21.051 -6.192 1.140 152 HE1 HIS 17 HE1 HIS 17 19.085 -9.800 2.200 153 HE2 HIS 17 HE2 HIS 17 21.255 -8.520 2.250 154 H VAL 18 H VAL 18 18.773 -3.173 -0.453 155 HA VAL 18 HA VAL 18 16.826 -1.063 -0.374 156 HB VAL 18 HB VAL 18 19.173 -0.533 -0.760 157 1HG1 VAL 18 2HG1 VAL 18 18.841 -2.022 -3.361 158 2HG1 VAL 18 1HG1 VAL 18 20.250 -1.072 -2.895 159 3HG1 VAL 18 3HG1 VAL 18 19.830 -2.526 -1.991 160 1HG2 VAL 18 1HG2 VAL 18 17.462 0.989 -1.613 161 2HG2 VAL 18 3HG2 VAL 18 18.891 0.991 -2.648 162 3HG2 VAL 18 2HG2 VAL 18 17.443 0.116 -3.145 163 H GLY 19 H GLY 19 15.249 -0.572 -1.759 164 1HA GLY 19 HA3 GLY 19 14.942 -1.442 -4.398 165 2HA GLY 19 HA2 GLY 19 13.662 -0.824 -3.374 166 H LYS 20 H LYS 20 14.421 -3.215 -1.502 167 HA LYS 20 HA LYS 20 13.805 -5.592 -2.812 168 1HB LYS 20 HB2 LYS 20 14.485 -4.998 -0.297 169 2HB LYS 20 HB3 LYS 20 12.760 -5.194 -0.056 170 1HG LYS 20 HG2 LYS 20 13.357 -7.330 0.303 171 2HG LYS 20 HG3 LYS 20 13.256 -7.414 -1.460 172 1HD LYS 20 HD2 LYS 20 15.582 -7.179 -1.708 173 2HD LYS 20 HD3 LYS 20 15.769 -6.639 -0.039 174 1HE LYS 20 HE2 LYS 20 14.954 -9.408 -0.923 175 2HE LYS 20 HE3 LYS 20 16.552 -8.946 -0.341 176 1HZ LYS 20 HZ2 LYS 20 15.566 -8.366 1.790 177 2HZ LYS 20 HZ1 LYS 20 14.034 -8.812 1.230 178 3HZ LYS 20 HZ3 LYS 20 15.245 -9.981 1.402 179 H THR 21 H THR 21 12.168 -5.062 -4.334 180 HA THR 21 HA THR 21 9.692 -3.931 -3.746 181 HB THR 21 HB THR 21 9.989 -6.072 -5.836 182 HG1 THR 21 HG1 THR 21 11.740 -4.838 -6.297 183 1HG2 THR 21 2HG2 THR 21 7.783 -4.997 -5.435 184 2HG2 THR 21 1HG2 THR 21 8.506 -3.439 -5.834 185 3HG2 THR 21 3HG2 THR 21 8.412 -4.709 -7.057 186 H THR 22 H THR 22 8.756 -4.709 -1.910 187 HA THR 22 HA THR 22 8.183 -7.568 -1.716 188 HB THR 22 HB THR 22 7.764 -5.325 0.276 189 HG1 THR 22 HG1 THR 22 9.953 -6.505 -0.362 190 1HG2 THR 22 3HG2 THR 22 7.358 -8.304 0.601 191 2HG2 THR 22 2HG2 THR 22 7.278 -7.111 1.897 192 3HG2 THR 22 1HG2 THR 22 6.092 -7.077 0.594 193 H GLU 23 H GLU 23 6.476 -8.141 -2.881 194 HA GLU 23 HA GLU 23 4.176 -6.430 -3.154 195 1HB GLU 23 HB2 GLU 23 5.093 -7.844 -5.011 196 2HB GLU 23 HB3 GLU 23 4.558 -9.261 -4.117 197 1HG GLU 23 HG2 GLU 23 2.262 -8.596 -4.295 198 2HG GLU 23 HG3 GLU 23 2.735 -7.039 -4.986 199 H ILE 24 H ILE 24 2.475 -6.469 -1.882 200 HA ILE 24 HA ILE 24 1.945 -8.901 -0.318 201 HB ILE 24 HB ILE 24 1.576 -6.061 0.605 202 1HG1 ILE 24 2HG1 ILE 24 3.549 -8.195 1.429 203 2HG1 ILE 24 3HG1 ILE 24 3.926 -6.698 0.582 204 1HG2 ILE 24 3HG2 ILE 24 -0.147 -7.586 1.449 205 2HG2 ILE 24 2HG2 ILE 24 1.110 -8.659 2.065 206 3HG2 ILE 24 1HG2 ILE 24 0.923 -7.040 2.741 207 1HD1 ILE 24 2HD1 ILE 24 3.118 -5.453 2.576 208 2HD1 ILE 24 1HD1 ILE 24 2.967 -6.999 3.410 209 3HD1 ILE 24 3HD1 ILE 24 4.547 -6.446 2.861 210 H HIS 25 H HIS 25 0.291 -9.717 -1.438 211 HA HIS 25 HA HIS 25 -1.897 -8.058 -2.351 212 1HB HIS 25 HB2 HIS 25 -1.229 -10.980 -2.571 213 2HB HIS 25 HB3 HIS 25 -2.816 -10.381 -3.010 214 HD1 HIS 25 HD1 HIS 25 -2.484 -10.983 -5.492 215 HD2 HIS 25 HD2 HIS 25 0.327 -8.306 -4.014 216 HE1 HIS 25 HE1 HIS 25 -1.288 -10.083 -7.511 217 HE2 HIS 25 HE2 HIS 25 0.354 -8.405 -6.598 218 H LEU 26 H LEU 26 -3.333 -7.414 -0.878 219 HA LEU 26 HA LEU 26 -3.930 -9.182 1.392 220 1HB LEU 26 HB2 LEU 26 -4.777 -6.325 0.978 221 2HB LEU 26 HB3 LEU 26 -4.886 -7.249 2.463 222 HG LEU 26 HG LEU 26 -2.247 -6.598 1.160 223 1HD1 LEU 26 1HD1 LEU 26 -3.397 -4.506 1.645 224 2HD1 LEU 26 3HD1 LEU 26 -3.700 -5.045 3.297 225 3HD1 LEU 26 2HD1 LEU 26 -2.047 -4.757 2.753 226 1HD2 LEU 26 1HD2 LEU 26 -2.370 -8.460 2.820 227 2HD2 LEU 26 3HD2 LEU 26 -1.308 -7.134 3.289 228 3HD2 LEU 26 2HD2 LEU 26 -2.907 -7.282 4.020 229 H LYS 27 H LYS 27 -6.313 -8.851 2.177 230 HA LYS 27 HA LYS 27 -8.091 -9.193 -0.147 231 1HB LYS 27 HB2 LYS 27 -8.395 -10.538 2.541 232 2HB LYS 27 HB3 LYS 27 -9.355 -10.828 1.098 233 1HG LYS 27 HG2 LYS 27 -7.414 -11.757 -0.033 234 2HG LYS 27 HG3 LYS 27 -6.421 -11.439 1.391 235 1HD LYS 27 HD2 LYS 27 -7.821 -12.952 2.708 236 2HD LYS 27 HD3 LYS 27 -8.820 -13.268 1.287 237 1HE LYS 27 HE2 LYS 27 -7.208 -15.063 1.644 238 2HE LYS 27 HE3 LYS 27 -6.891 -14.214 0.131 239 1HZ LYS 27 HZ2 LYS 27 -5.439 -13.788 2.688 240 2HZ LYS 27 HZ1 LYS 27 -4.852 -14.641 1.350 241 3HZ LYS 27 HZ3 LYS 27 -5.135 -12.976 1.235 242 H GLY 28 H GLY 28 -10.462 -8.861 0.520 243 1HA GLY 28 HA3 GLY 28 -10.631 -6.221 1.664 244 2HA GLY 28 HA2 GLY 28 -11.374 -7.459 2.661 245 H ASN 29 H ASN 29 -12.761 -5.281 1.538 246 HA ASN 29 HA ASN 29 -14.094 -5.954 -0.864 247 1HB ASN 29 HB2 ASN 29 -14.981 -7.742 0.673 248 2HB ASN 29 HB3 ASN 29 -15.721 -6.461 1.631 249 1HD2 ASN 29 1HD2 ASN 29 -17.424 -5.265 0.749 250 2HD2 ASN 29 2HD2 ASN 29 -18.338 -5.847 -0.597 251 HA PRO 30 HA PRO 30 -14.583 -1.555 0.214 252 1HB PRO 30 HB2 PRO 30 -15.172 -0.773 -2.339 253 2HB PRO 30 HB3 PRO 30 -13.525 -0.974 -1.730 254 1HG PRO 30 HG2 PRO 30 -15.188 -2.854 -3.364 255 2HG PRO 30 HG3 PRO 30 -13.473 -2.440 -3.536 256 1HD PRO 30 HD2 PRO 30 -14.272 -4.725 -2.359 257 2HD PRO 30 HD3 PRO 30 -12.832 -3.843 -1.812 258 H THR 31 H THR 31 -16.383 0.053 -0.479 259 HA THR 31 HA THR 31 -18.557 0.626 -0.183 260 HB THR 31 HB THR 31 -20.037 -0.134 -1.814 261 HG1 THR 31 HG1 THR 31 -20.246 -2.268 -1.727 262 1HG2 THR 31 1HG2 THR 31 -17.277 -0.646 -2.915 263 2HG2 THR 31 3HG2 THR 31 -18.720 -0.323 -3.875 264 3HG2 THR 31 2HG2 THR 31 -18.076 0.922 -2.806 265 H THR 32 H THR 32 -17.378 -1.590 1.542 266 HA THR 32 HA THR 32 -19.909 -2.353 2.780 267 HB THR 32 HB THR 32 -17.759 -4.318 1.992 268 HG1 THR 32 HG1 THR 32 -20.355 -4.990 1.522 269 1HG2 THR 32 2HG2 THR 32 -20.117 -4.742 3.829 270 2HG2 THR 32 1HG2 THR 32 -19.050 -6.009 3.222 271 3HG2 THR 32 3HG2 THR 32 -18.416 -4.763 4.297 272 H GLY 33 H GLY 33 -16.479 -3.229 3.215 273 1HA GLY 33 HA3 GLY 33 -15.459 -3.475 5.344 274 2HA GLY 33 HA2 GLY 33 -16.718 -2.463 6.035 275 H TYR 34 H TYR 34 -13.537 -2.558 5.260 276 HA TYR 34 HA TYR 34 -13.385 0.364 4.911 277 1HB TYR 34 HB2 TYR 34 -11.620 -1.405 6.619 278 2HB TYR 34 HB3 TYR 34 -11.316 0.298 6.304 279 HD1 TYR 34 HD1 TYR 34 -14.198 -1.801 7.462 280 HD2 TYR 34 HD2 TYR 34 -11.882 1.733 8.023 281 HE1 TYR 34 HE1 TYR 34 -15.588 -1.200 9.396 282 HE2 TYR 34 HE2 TYR 34 -13.273 2.338 9.955 283 HH TYR 34 HH TYR 34 -15.425 0.171 11.430 284 H MET 35 H MET 35 -10.831 0.811 4.462 285 HA MET 35 HA MET 35 -10.190 -0.756 2.074 286 1HB MET 35 HB2 MET 35 -10.448 1.413 1.304 287 2HB MET 35 HB3 MET 35 -9.880 2.122 2.809 288 1HG MET 35 HG2 MET 35 -7.595 1.411 2.255 289 2HG MET 35 HG3 MET 35 -8.188 0.781 0.734 290 1HE MET 35 HE2 MET 35 -10.319 2.844 -0.142 291 2HE MET 35 HE1 MET 35 -9.429 4.068 -1.048 292 3HE MET 35 HE3 MET 35 -9.086 2.358 -1.304 293 H TRP 36 H TRP 36 -8.058 -1.347 1.695 294 HA TRP 36 HA TRP 36 -6.335 -1.346 4.078 295 1HB TRP 36 HB2 TRP 36 -6.979 -3.373 2.077 296 2HB TRP 36 HB3 TRP 36 -5.251 -3.165 2.315 297 HD1 TRP 36 HD1 TRP 36 -7.972 -5.174 3.569 298 HE1 TRP 36 HE1 TRP 36 -7.467 -6.131 5.905 299 HE3 TRP 36 HE3 TRP 36 -3.983 -2.224 4.815 300 HZ2 TRP 36 HZ2 TRP 36 -5.625 -5.696 7.992 301 HZ3 TRP 36 HZ3 TRP 36 -2.909 -2.562 6.998 302 HH2 TRP 36 HH2 TRP 36 -3.715 -4.262 8.552 303 H THR 37 H THR 37 -5.510 0.743 3.612 304 HA THR 37 HA THR 37 -3.625 0.761 1.345 305 HB THR 37 HB THR 37 -5.547 2.255 0.899 306 HG1 THR 37 HG1 THR 37 -3.575 2.864 0.002 307 1HG2 THR 37 1HG2 THR 37 -4.558 3.717 3.351 308 2HG2 THR 37 3HG2 THR 37 -5.780 4.316 2.229 309 3HG2 THR 37 2HG2 THR 37 -6.096 2.869 3.189 310 H ARG 38 H ARG 38 -2.278 3.120 1.915 311 HA ARG 38 HA ARG 38 -0.699 2.273 4.184 312 1HB ARG 38 HB2 ARG 38 -0.232 3.653 1.768 313 2HB ARG 38 HB3 ARG 38 0.204 4.748 3.059 314 1HG ARG 38 HG2 ARG 38 1.989 3.556 3.671 315 2HG ARG 38 HG3 ARG 38 1.213 2.011 3.311 316 1HD ARG 38 HD2 ARG 38 2.285 3.959 1.273 317 2HD ARG 38 HD3 ARG 38 3.055 2.487 1.774 318 HE ARG 38 HE ARG 38 1.128 2.685 -0.203 319 1HH1 ARG 38 1HH1 ARG 38 1.851 0.719 2.577 320 2HH1 ARG 38 2HH1 ARG 38 1.014 -0.671 1.972 321 1HH2 ARG 38 1HH2 ARG 38 0.018 0.853 -1.001 322 2HH2 ARG 38 2HH2 ARG 38 -0.033 -0.591 -0.051 323 H VAL 39 H VAL 39 -0.568 3.217 6.134 324 HA VAL 39 HA VAL 39 -2.591 4.765 7.187 325 HB VAL 39 HB VAL 39 0.255 4.737 8.200 326 1HG1 VAL 39 3HG1 VAL 39 -2.370 5.191 9.611 327 2HG1 VAL 39 2HG1 VAL 39 -0.791 5.098 10.391 328 3HG1 VAL 39 1HG1 VAL 39 -1.144 6.410 9.266 329 1HG2 VAL 39 2HG2 VAL 39 -0.751 2.457 7.755 330 2HG2 VAL 39 1HG2 VAL 39 -0.211 2.762 9.406 331 3HG2 VAL 39 3HG2 VAL 39 -1.928 2.836 9.012 332 H GLY 40 H GLY 40 -3.000 6.905 7.412 333 1HA GLY 40 HA3 GLY 40 -1.010 8.928 7.037 334 2HA GLY 40 HA2 GLY 40 -2.734 9.191 7.250 335 H PHE 41 H PHE 41 -1.661 7.061 4.754 336 HA PHE 41 HA PHE 41 -1.926 9.153 2.722 337 1HB PHE 41 HB2 PHE 41 -0.949 6.305 2.419 338 2HB PHE 41 HB3 PHE 41 -0.848 7.581 1.210 339 HD1 PHE 41 HD1 PHE 41 1.442 5.907 2.317 340 HD2 PHE 41 HD2 PHE 41 -0.111 9.712 3.421 341 HE1 PHE 41 HE1 PHE 41 3.648 6.547 3.197 342 HE2 PHE 41 HE2 PHE 41 2.096 10.361 4.299 343 HZ PHE 41 HZ PHE 41 3.978 8.776 4.189 344 H VAL 42 H VAL 42 -4.079 7.765 4.275 345 HA VAL 42 HA VAL 42 -5.498 6.118 2.409 346 HB VAL 42 HB VAL 42 -6.600 7.454 4.882 347 1HG1 VAL 42 1HG1 VAL 42 -8.217 6.467 3.280 348 2HG1 VAL 42 3HG1 VAL 42 -7.423 4.907 3.505 349 3HG1 VAL 42 2HG1 VAL 42 -8.225 5.694 4.864 350 1HG2 VAL 42 1HG2 VAL 42 -4.457 6.113 5.198 351 2HG2 VAL 42 3HG2 VAL 42 -5.844 5.667 6.189 352 3HG2 VAL 42 2HG2 VAL 42 -5.423 4.698 4.780 353 H GLY 43 H GLY 43 -6.219 7.023 0.587 354 1HA GLY 43 HA3 GLY 43 -7.842 9.475 0.831 355 2HA GLY 43 HA2 GLY 43 -8.099 8.223 -0.376 356 H LYS 44 H LYS 44 -4.852 9.094 0.323 357 HA LYS 44 HA LYS 44 -4.533 11.240 -1.475 358 1HB LYS 44 HB2 LYS 44 -2.566 9.241 -0.358 359 2HB LYS 44 HB3 LYS 44 -2.099 10.634 -1.317 360 1HG LYS 44 HG2 LYS 44 -3.175 12.093 0.380 361 2HG LYS 44 HG3 LYS 44 -3.458 10.656 1.365 362 1HD LYS 44 HD2 LYS 44 -1.465 11.731 2.153 363 2HD LYS 44 HD3 LYS 44 -1.004 10.233 1.341 364 1HE LYS 44 HE2 LYS 44 -0.433 11.498 -0.672 365 2HE LYS 44 HE3 LYS 44 -0.901 12.996 0.133 366 1HZ LYS 44 HZ3 LYS 44 0.851 12.620 1.760 367 2HZ LYS 44 HZ2 LYS 44 1.305 11.193 0.974 368 3HZ LYS 44 HZ1 LYS 44 1.487 12.683 0.193 369 H ASP 45 H ASP 45 -2.960 11.058 -3.379 370 HA ASP 45 HA ASP 45 -4.017 9.066 -5.198 371 1HB ASP 45 HB2 ASP 45 -2.380 11.568 -5.505 372 2HB ASP 45 HB3 ASP 45 -2.541 10.427 -6.830 373 H VAL 46 H VAL 46 -1.064 9.895 -3.549 374 HA VAL 46 HA VAL 46 0.152 7.422 -4.570 375 HB VAL 46 HB VAL 46 1.286 10.168 -4.630 376 1HG1 VAL 46 2HG1 VAL 46 2.947 7.726 -4.016 377 2HG1 VAL 46 1HG1 VAL 46 3.598 9.262 -4.586 378 3HG1 VAL 46 3HG1 VAL 46 2.782 9.176 -3.027 379 1HG2 VAL 46 1HG2 VAL 46 0.578 8.971 -6.652 380 2HG2 VAL 46 3HG2 VAL 46 2.303 9.335 -6.668 381 3HG2 VAL 46 2HG2 VAL 46 1.752 7.701 -6.295 382 H LEU 47 H LEU 47 0.629 6.097 -3.052 383 HA LEU 47 HA LEU 47 0.524 6.798 -0.288 384 1HB LEU 47 HB2 LEU 47 1.546 4.235 -1.488 385 2HB LEU 47 HB3 LEU 47 0.839 4.464 0.097 386 HG LEU 47 HG LEU 47 -0.587 4.615 -2.566 387 1HD1 LEU 47 2HD1 LEU 47 -0.044 2.349 -1.727 388 2HD1 LEU 47 1HD1 LEU 47 -0.977 2.701 -0.274 389 3HD1 LEU 47 3HD1 LEU 47 -1.776 2.661 -1.847 390 1HD2 LEU 47 2HD2 LEU 47 -1.640 5.105 0.217 391 2HD2 LEU 47 1HD2 LEU 47 -1.543 6.272 -1.101 392 3HD2 LEU 47 3HD2 LEU 47 -2.645 4.899 -1.218 393 H SER 48 H SER 48 3.076 5.358 -2.288 394 HA SER 48 HA SER 48 5.225 5.583 -0.611 395 1HB SER 48 HB2 SER 48 6.604 5.455 -2.574 396 2HB SER 48 HB3 SER 48 5.163 4.495 -2.872 397 HG SER 48 HG SER 48 4.616 5.809 -4.420 398 H ASP 49 H ASP 49 7.199 7.095 -1.136 399 HA ASP 49 HA ASP 49 6.481 9.823 -1.757 400 1HB ASP 49 HB2 ASP 49 7.222 8.993 1.042 401 2HB ASP 49 HB3 ASP 49 7.456 10.640 0.463 402 H GLU 50 H GLU 50 9.078 9.191 0.439 403 HA GLU 50 HA GLU 50 11.015 9.325 -1.770 404 1HB GLU 50 HB2 GLU 50 12.384 10.821 -0.444 405 2HB GLU 50 HB3 GLU 50 10.768 11.496 -0.619 406 1HG GLU 50 HG2 GLU 50 10.192 10.709 1.618 407 2HG GLU 50 HG3 GLU 50 11.821 10.058 1.803 408 H ILE 51 H ILE 51 10.226 8.198 1.441 409 HA ILE 51 HA ILE 51 12.697 6.852 1.926 410 HB ILE 51 HB ILE 51 10.014 6.311 3.197 411 1HG1 ILE 51 2HG1 ILE 51 10.661 8.716 3.278 412 2HG1 ILE 51 3HG1 ILE 51 10.571 7.956 4.861 413 1HG2 ILE 51 3HG2 ILE 51 12.840 5.773 4.084 414 2HG2 ILE 51 2HG2 ILE 51 11.428 5.620 5.130 415 3HG2 ILE 51 1HG2 ILE 51 11.588 4.590 3.708 416 1HD1 ILE 51 3HD1 ILE 51 13.102 8.458 3.315 417 2HD1 ILE 51 2HD1 ILE 51 12.500 9.444 4.649 418 3HD1 ILE 51 1HD1 ILE 51 12.986 7.773 4.936 419 H LEU 52 H LEU 52 9.502 5.343 1.804 420 HA LEU 52 HA LEU 52 10.694 3.064 0.388 421 1HB LEU 52 HB2 LEU 52 8.374 3.390 2.233 422 2HB LEU 52 HB3 LEU 52 8.331 2.089 1.060 423 HG LEU 52 HG LEU 52 10.616 2.450 2.987 424 1HD1 LEU 52 1HD1 LEU 52 8.135 0.771 3.320 425 2HD1 LEU 52 3HD1 LEU 52 9.557 0.719 4.360 426 3HD1 LEU 52 2HD1 LEU 52 8.575 2.182 4.281 427 1HD2 LEU 52 3HD2 LEU 52 10.781 1.040 0.850 428 2HD2 LEU 52 2HD2 LEU 52 11.256 0.292 2.375 429 3HD2 LEU 52 1HD2 LEU 52 9.684 -0.073 1.665 430 H GLU 53 H GLU 53 10.415 3.049 -1.760 431 HA GLU 53 HA GLU 53 8.410 4.551 -3.097 432 1HB GLU 53 HB2 GLU 53 10.610 2.768 -3.817 433 2HB GLU 53 HB3 GLU 53 9.226 2.602 -4.888 434 1HG GLU 53 HG2 GLU 53 10.098 5.344 -4.267 435 2HG GLU 53 HG3 GLU 53 11.184 4.367 -5.253 436 H VAL 54 H VAL 54 6.626 3.676 -1.711 437 HA VAL 54 HA VAL 54 5.796 0.975 -2.085 438 HB VAL 54 HB VAL 54 3.886 3.076 -1.151 439 1HG1 VAL 54 3HG1 VAL 54 4.429 0.179 -0.585 440 2HG1 VAL 54 2HG1 VAL 54 3.354 1.153 0.416 441 3HG1 VAL 54 1HG1 VAL 54 2.990 0.912 -1.295 442 1HG2 VAL 54 2HG2 VAL 54 6.213 1.997 0.439 443 2HG2 VAL 54 1HG2 VAL 54 5.888 3.682 0.030 444 3HG2 VAL 54 3HG2 VAL 54 4.818 2.823 1.138 445 H VAL 55 H VAL 55 5.627 0.709 -4.317 446 HA VAL 55 HA VAL 55 3.638 2.253 -5.753 447 HB VAL 55 HB VAL 55 5.139 -0.169 -6.729 448 1HG1 VAL 55 3HG1 VAL 55 3.076 0.657 -7.938 449 2HG1 VAL 55 2HG1 VAL 55 3.996 2.112 -8.323 450 3HG1 VAL 55 1HG1 VAL 55 4.546 0.542 -8.907 451 1HG2 VAL 55 2HG2 VAL 55 5.934 2.738 -6.927 452 2HG2 VAL 55 1HG2 VAL 55 6.757 1.491 -5.990 453 3HG2 VAL 55 3HG2 VAL 55 6.738 1.402 -7.752 454 H CYS 56 H CYS 56 1.778 1.678 -4.630 455 HA CYS 56 HA CYS 56 0.974 -1.141 -4.845 456 1HB CYS 56 HB2 CYS 56 1.010 -0.454 -2.552 457 2HB CYS 56 HB3 CYS 56 0.102 1.008 -2.921 458 HG CYS 56 HG CYS 56 -1.241 -2.100 -3.354 459 H LYS 57 H LYS 57 -1.163 -1.643 -5.411 460 HA LYS 57 HA LYS 57 -2.705 0.487 -6.697 461 1HB LYS 57 HB2 LYS 57 -2.239 -2.197 -7.985 462 2HB LYS 57 HB3 LYS 57 -3.079 -0.819 -8.674 463 1HG LYS 57 HG2 LYS 57 -0.989 0.436 -8.741 464 2HG LYS 57 HG3 LYS 57 -0.139 -0.938 -8.032 465 1HD LYS 57 HD2 LYS 57 -0.727 -2.308 -9.970 466 2HD LYS 57 HD3 LYS 57 -1.589 -0.940 -10.679 467 1HE LYS 57 HE2 LYS 57 0.492 0.333 -10.765 468 2HE LYS 57 HE3 LYS 57 1.357 -1.021 -10.041 469 1HZ LYS 57 HZ2 LYS 57 -0.036 -1.068 -12.663 470 2HZ LYS 57 HZ1 LYS 57 1.637 -0.970 -12.438 471 3HZ LYS 57 HZ3 LYS 57 0.800 -2.364 -11.969 472 H TYR 58 H TYR 58 -4.641 0.487 -5.848 473 HA TYR 58 HA TYR 58 -5.667 -1.797 -4.417 474 1HB TYR 58 HB2 TYR 58 -5.968 0.588 -3.647 475 2HB TYR 58 HB3 TYR 58 -7.047 0.838 -5.015 476 HD1 TYR 58 HD1 TYR 58 -8.568 -1.769 -4.901 477 HD2 TYR 58 HD2 TYR 58 -7.376 0.937 -1.821 478 HE1 TYR 58 HE1 TYR 58 -10.464 -2.509 -3.545 479 HE2 TYR 58 HE2 TYR 58 -9.301 0.207 -0.466 480 HH TYR 58 HH TYR 58 -11.501 -0.832 -0.776 481 H THR 59 H THR 59 -6.085 -3.399 -5.878 482 HA THR 59 HA THR 59 -7.816 -2.812 -8.173 483 HB THR 59 HB THR 59 -6.410 -5.408 -7.525 484 HG1 THR 59 HG1 THR 59 -5.557 -3.372 -9.332 485 1HG2 THR 59 3HG2 THR 59 -8.275 -5.616 -9.092 486 2HG2 THR 59 2HG2 THR 59 -7.588 -4.339 -10.094 487 3HG2 THR 59 1HG2 THR 59 -6.736 -5.871 -9.913 488 HA PRO 60 HA PRO 60 -10.968 -4.856 -5.660 489 1HB PRO 60 HB2 PRO 60 -12.962 -3.195 -6.244 490 2HB PRO 60 HB3 PRO 60 -11.643 -2.674 -5.196 491 1HG PRO 60 HG2 PRO 60 -12.231 -1.947 -8.005 492 2HG PRO 60 HG3 PRO 60 -11.371 -1.025 -6.761 493 1HD PRO 60 HD2 PRO 60 -10.274 -2.652 -8.847 494 2HD PRO 60 HD3 PRO 60 -9.405 -1.721 -7.610 495 H THR 61 H THR 61 -10.135 -5.590 -8.460 496 HA THR 61 HA THR 61 -12.397 -5.864 -10.095 497 HB THR 61 HB THR 61 -10.997 -7.649 -11.212 498 HG1 THR 61 HG1 THR 61 -9.669 -8.372 -9.618 499 1HG2 THR 61 2HG2 THR 61 -10.969 -5.298 -11.923 500 2HG2 THR 61 1HG2 THR 61 -9.684 -4.975 -10.760 501 3HG2 THR 61 3HG2 THR 61 -9.389 -6.059 -12.120 502 HA PRO 62 HA PRO 62 -14.362 -9.340 -8.157 503 1HB PRO 62 HB2 PRO 62 -16.038 -10.077 -10.115 504 2HB PRO 62 HB3 PRO 62 -16.240 -8.550 -9.248 505 1HG PRO 62 HG2 PRO 62 -15.060 -9.059 -11.947 506 2HG PRO 62 HG3 PRO 62 -16.123 -7.745 -11.419 507 1HD PRO 62 HD2 PRO 62 -13.391 -7.527 -11.681 508 2HD PRO 62 HD3 PRO 62 -14.385 -6.496 -10.633 509 H SER 63 H SER 63 -14.474 -11.616 -8.192 510 HA SER 63 HA SER 63 -12.452 -12.868 -9.893 511 1HB SER 63 HB2 SER 63 -12.814 -14.820 -8.275 512 2HB SER 63 HB3 SER 63 -12.081 -13.363 -7.608 513 HG SER 63 HG SER 63 -13.666 -13.372 -6.243 514 H SER 64 H SER 64 -13.146 -15.426 -10.063 515 HA SER 64 HA SER 64 -15.860 -15.532 -11.168 516 1HB SER 64 HB2 SER 64 -15.033 -16.699 -13.176 517 2HB SER 64 HB3 SER 64 -14.360 -15.074 -13.054 518 HG SER 64 HG SER 64 -12.541 -16.110 -13.307 519 H THR 65 H THR 65 -13.700 -16.803 -9.073 520 HA THR 65 HA THR 65 -14.543 -19.576 -9.465 521 HB THR 65 HB THR 65 -12.461 -18.498 -7.562 522 HG1 THR 65 HG1 THR 65 -12.161 -19.892 -10.034 523 1HG2 THR 65 3HG2 THR 65 -13.149 -21.332 -8.350 524 2HG2 THR 65 2HG2 THR 65 -11.791 -20.852 -7.332 525 3HG2 THR 65 1HG2 THR 65 -13.445 -20.590 -6.777 526 HA PRO 66 HA PRO 66 -16.018 -18.698 -4.975 527 1HB PRO 66 HB2 PRO 66 -15.832 -15.849 -4.483 528 2HB PRO 66 HB3 PRO 66 -15.045 -17.170 -3.618 529 1HG PRO 66 HG2 PRO 66 -13.688 -15.374 -5.150 530 2HG PRO 66 HG3 PRO 66 -13.143 -17.041 -4.889 531 1HD PRO 66 HD2 PRO 66 -14.605 -15.873 -7.234 532 2HD PRO 66 HD3 PRO 66 -13.237 -17.007 -7.218 533 H MET 67 H MET 67 -17.528 -16.452 -4.010 534 HA MET 67 HA MET 67 -19.564 -16.137 -6.115 535 1HB MET 67 HB2 MET 67 -20.078 -16.801 -3.207 536 2HB MET 67 HB3 MET 67 -21.318 -16.436 -4.399 537 1HG MET 67 HG2 MET 67 -20.664 -18.407 -5.684 538 2HG MET 67 HG3 MET 67 -19.424 -18.774 -4.485 539 1HE MET 67 HE1 MET 67 -20.416 -21.233 -4.251 540 2HE MET 67 HE3 MET 67 -22.106 -21.574 -3.881 541 3HE MET 67 HE2 MET 67 -21.670 -20.856 -5.433 542 H VAL 68 H VAL 68 -17.373 -14.503 -4.768 543 HA VAL 68 HA VAL 68 -19.019 -12.268 -3.802 544 HB VAL 68 HB VAL 68 -17.208 -13.221 -2.310 545 1HG1 VAL 68 3HG1 VAL 68 -15.521 -13.598 -4.033 546 2HG1 VAL 68 2HG1 VAL 68 -15.397 -11.859 -4.300 547 3HG1 VAL 68 1HG1 VAL 68 -14.907 -12.550 -2.753 548 1HG2 VAL 68 3HG2 VAL 68 -18.171 -11.019 -1.929 549 2HG2 VAL 68 2HG2 VAL 68 -16.446 -11.010 -1.561 550 3HG2 VAL 68 1HG2 VAL 68 -17.030 -10.305 -3.068 551 H GLY 69 H GLY 69 -18.516 -10.132 -4.517 552 1HA GLY 69 HA3 GLY 69 -18.584 -9.269 -6.896 553 2HA GLY 69 HA2 GLY 69 -17.009 -10.031 -7.055 554 H VAL 70 H VAL 70 -15.508 -8.501 -7.152 555 HA VAL 70 HA VAL 70 -14.222 -6.710 -6.640 556 HB VAL 70 HB VAL 70 -16.908 -5.576 -5.884 557 1HG1 VAL 70 3HG1 VAL 70 -15.097 -4.387 -4.699 558 2HG1 VAL 70 2HG1 VAL 70 -14.313 -4.081 -6.248 559 3HG1 VAL 70 1HG1 VAL 70 -15.890 -3.374 -5.904 560 1HG2 VAL 70 1HG2 VAL 70 -16.613 -6.183 -8.244 561 2HG2 VAL 70 3HG2 VAL 70 -16.772 -4.440 -8.025 562 3HG2 VAL 70 2HG2 VAL 70 -15.185 -5.150 -8.321 563 H GLY 71 H GLY 71 -12.930 -7.482 -5.038 564 1HA GLY 71 HA3 GLY 71 -12.845 -8.351 -2.702 565 2HA GLY 71 HA2 GLY 71 -13.828 -6.961 -2.275 566 H GLY 72 H GLY 72 -11.040 -7.124 -4.433 567 1HA GLY 72 HA3 GLY 72 -9.747 -5.091 -2.747 568 2HA GLY 72 HA2 GLY 72 -9.462 -5.299 -4.461 569 H ILE 73 H ILE 73 -7.549 -6.127 -4.910 570 HA ILE 73 HA ILE 73 -6.536 -8.353 -3.382 571 HB ILE 73 HB ILE 73 -6.282 -7.475 -6.067 572 1HG1 ILE 73 2HG1 ILE 73 -6.778 -9.722 -5.195 573 2HG1 ILE 73 3HG1 ILE 73 -5.480 -9.726 -6.387 574 1HG2 ILE 73 1HG2 ILE 73 -4.206 -6.357 -5.385 575 2HG2 ILE 73 3HG2 ILE 73 -3.611 -7.877 -4.714 576 3HG2 ILE 73 2HG2 ILE 73 -3.888 -7.727 -6.450 577 1HD1 ILE 73 2HD1 ILE 73 -5.065 -9.787 -3.400 578 2HD1 ILE 73 1HD1 ILE 73 -5.031 -11.203 -4.458 579 3HD1 ILE 73 3HD1 ILE 73 -3.821 -9.930 -4.645 580 H TYR 74 H TYR 74 -5.992 -5.017 -3.691 581 HA TYR 74 HA TYR 74 -4.422 -3.570 -2.863 582 1HB TYR 74 HB2 TYR 74 -4.251 -5.547 -0.593 583 2HB TYR 74 HB3 TYR 74 -4.014 -3.805 -0.524 584 HD1 TYR 74 HD1 TYR 74 -5.948 -2.289 -0.691 585 HD2 TYR 74 HD2 TYR 74 -6.447 -6.506 -0.470 586 HE1 TYR 74 HE1 TYR 74 -8.305 -1.980 -0.075 587 HE2 TYR 74 HE2 TYR 74 -8.807 -6.201 0.134 588 HH TYR 74 HH TYR 74 -10.240 -4.474 1.143 589 H VAL 75 H VAL 75 -2.913 -4.262 -4.603 590 HA VAL 75 HA VAL 75 -0.785 -6.056 -3.725 591 HB VAL 75 HB VAL 75 -1.514 -6.425 -5.990 592 1HG1 VAL 75 3HG1 VAL 75 -2.404 -4.161 -6.409 593 2HG1 VAL 75 2HG1 VAL 75 -0.751 -3.576 -6.595 594 3HG1 VAL 75 1HG1 VAL 75 -1.399 -4.761 -7.727 595 1HG2 VAL 75 1HG2 VAL 75 0.870 -6.719 -5.521 596 2HG2 VAL 75 3HG2 VAL 75 0.593 -6.219 -7.189 597 3HG2 VAL 75 2HG2 VAL 75 1.169 -5.049 -6.001 598 H VAL 76 H VAL 76 0.520 -5.070 -2.326 599 HA VAL 76 HA VAL 76 1.387 -2.322 -2.859 600 HB VAL 76 HB VAL 76 1.939 -3.967 -0.397 601 1HG1 VAL 76 2HG1 VAL 76 2.030 -1.008 -0.950 602 2HG1 VAL 76 1HG1 VAL 76 2.246 -1.747 0.636 603 3HG1 VAL 76 3HG1 VAL 76 3.404 -2.073 -0.653 604 1HG2 VAL 76 1HG2 VAL 76 -0.493 -3.760 -0.815 605 2HG2 VAL 76 3HG2 VAL 76 0.035 -2.929 0.648 606 3HG2 VAL 76 2HG2 VAL 76 -0.311 -2.006 -0.814 607 H LEU 77 H LEU 77 3.242 -2.026 -3.927 608 HA LEU 77 HA LEU 77 5.389 -4.018 -3.616 609 1HB LEU 77 HB2 LEU 77 4.846 -1.988 -5.775 610 2HB LEU 77 HB3 LEU 77 6.364 -2.854 -5.655 611 HG LEU 77 HG LEU 77 3.633 -4.085 -6.100 612 1HD1 LEU 77 1HD1 LEU 77 4.475 -2.898 -8.053 613 2HD1 LEU 77 3HD1 LEU 77 5.996 -3.784 -7.947 614 3HD1 LEU 77 2HD1 LEU 77 4.499 -4.642 -8.314 615 1HD2 LEU 77 2HD2 LEU 77 5.418 -5.387 -4.755 616 2HD2 LEU 77 1HD2 LEU 77 4.613 -6.184 -6.109 617 3HD2 LEU 77 3HD2 LEU 77 6.239 -5.535 -6.309 618 H VAL 78 H VAL 78 6.396 -3.311 -1.774 619 HA VAL 78 HA VAL 78 7.069 -0.479 -1.565 620 HB VAL 78 HB VAL 78 8.141 -2.189 0.537 621 1HG1 VAL 78 3HG1 VAL 78 7.917 0.290 0.605 622 2HG1 VAL 78 2HG1 VAL 78 6.161 0.103 0.613 623 3HG1 VAL 78 1HG1 VAL 78 7.123 -0.514 1.959 624 1HG2 VAL 78 2HG2 VAL 78 5.161 -2.162 0.083 625 2HG2 VAL 78 1HG2 VAL 78 6.219 -3.572 0.036 626 3HG2 VAL 78 3HG2 VAL 78 5.962 -2.714 1.554 627 H LYS 79 H LYS 79 8.819 0.204 -2.542 628 HA LYS 79 HA LYS 79 11.180 -1.552 -2.653 629 1HB LYS 79 HB2 LYS 79 10.035 0.434 -4.564 630 2HB LYS 79 HB3 LYS 79 11.776 0.198 -4.550 631 1HG LYS 79 HG2 LYS 79 11.390 -2.232 -4.904 632 2HG LYS 79 HG3 LYS 79 9.657 -1.888 -5.077 633 1HD LYS 79 HD2 LYS 79 11.839 -0.685 -6.785 634 2HD LYS 79 HD3 LYS 79 10.854 -2.075 -7.244 635 1HE LYS 79 HE2 LYS 79 8.837 -0.696 -7.079 636 2HE LYS 79 HE3 LYS 79 9.825 0.694 -6.630 637 1HZ LYS 79 HZ2 LYS 79 9.976 -0.772 -9.208 638 2HZ LYS 79 HZ1 LYS 79 9.251 0.738 -8.972 639 3HZ LYS 79 HZ3 LYS 79 10.923 0.561 -8.778 640 HA PRO 80 HA PRO 80 12.472 1.565 0.466 641 1HB PRO 80 HB2 PRO 80 14.960 0.215 0.627 642 2HB PRO 80 HB3 PRO 80 13.619 0.136 1.770 643 1HG PRO 80 HG2 PRO 80 14.381 -1.747 -0.379 644 2HG PRO 80 HG3 PRO 80 13.517 -2.055 1.136 645 1HD PRO 80 HD2 PRO 80 12.274 -2.055 -1.257 646 2HD PRO 80 HD3 PRO 80 11.469 -1.505 0.228 647 H ARG 81 H ARG 81 12.798 3.371 -0.717 648 HA ARG 81 HA ARG 81 14.602 3.600 -2.876 649 1HB ARG 81 HB2 ARG 81 12.733 5.272 -1.462 650 2HB ARG 81 HB3 ARG 81 14.227 6.145 -1.746 651 1HG ARG 81 HG2 ARG 81 14.058 5.824 -4.099 652 2HG ARG 81 HG3 ARG 81 12.704 4.709 -3.900 653 1HD ARG 81 HD2 ARG 81 11.320 6.491 -3.032 654 2HD ARG 81 HD3 ARG 81 12.675 7.620 -3.115 655 HE ARG 81 HE ARG 81 12.052 6.424 -5.645 656 1HH1 ARG 81 1HH1 ARG 81 11.222 8.986 -3.434 657 2HH1 ARG 81 2HH1 ARG 81 10.568 10.012 -4.666 658 1HH2 ARG 81 1HH2 ARG 81 11.193 7.768 -7.273 659 2HH2 ARG 81 2HH2 ARG 81 10.551 9.319 -6.848 660 H LYS 82 H LYS 82 14.859 4.102 0.570 661 HA LYS 82 HA LYS 82 17.713 4.759 0.242 662 1HB LYS 82 HB2 LYS 82 15.988 5.540 2.594 663 2HB LYS 82 HB3 LYS 82 17.611 6.103 2.221 664 1HG LYS 82 HG2 LYS 82 16.748 7.249 0.233 665 2HG LYS 82 HG3 LYS 82 15.119 6.704 0.641 666 1HD LYS 82 HD2 LYS 82 15.276 7.913 2.782 667 2HD LYS 82 HD3 LYS 82 16.871 8.504 2.309 668 1HE LYS 82 HE2 LYS 82 15.875 9.616 0.365 669 2HE LYS 82 HE3 LYS 82 14.283 9.038 0.852 670 1HZ LYS 82 HZ1 LYS 82 16.014 10.853 2.444 671 2HZ LYS 82 HZ3 LYS 82 14.661 11.326 1.544 672 3HZ LYS 82 HZ2 LYS 82 14.472 10.316 2.888 673 H ARG 83 H ARG 83 18.739 4.354 2.643 674 HA ARG 83 HA ARG 83 17.929 1.639 3.443 675 1HB ARG 83 HB2 ARG 83 20.769 2.639 3.185 676 2HB ARG 83 HB3 ARG 83 20.276 1.026 3.679 677 1HG ARG 83 HG2 ARG 83 19.460 0.510 1.518 678 2HG ARG 83 HG3 ARG 83 19.591 2.192 0.996 679 1HD ARG 83 HD2 ARG 83 22.028 2.064 1.238 680 2HD ARG 83 HD3 ARG 83 21.884 0.373 1.720 681 HE ARG 83 HE ARG 83 20.618 0.623 -0.734 682 1HH1 ARG 83 1HH1 ARG 83 23.827 1.012 0.567 683 2HH1 ARG 83 2HH1 ARG 83 24.619 0.590 -0.916 684 1HH2 ARG 83 1HH2 ARG 83 21.650 0.067 -2.689 685 2HH2 ARG 83 2HH2 ARG 83 23.381 0.053 -2.765 686 H GLY 84 H GLY 84 17.425 1.520 5.522 687 1HA GLY 84 HA3 GLY 84 18.133 3.706 7.303 688 2HA GLY 84 HA2 GLY 84 18.812 2.141 7.725 689 H HIS 85 H HIS 85 16.134 4.185 7.987 690 HA HIS 85 HA HIS 85 14.616 2.039 9.302 691 1HB HIS 85 HB2 HIS 85 14.441 5.034 9.686 692 2HB HIS 85 HB3 HIS 85 13.509 3.832 10.572 693 HD1 HIS 85 HD1 HIS 85 16.751 5.562 10.533 694 HD2 HIS 85 HD2 HIS 85 15.088 2.224 12.367 695 HE1 HIS 85 HE1 HIS 85 18.311 4.984 12.419 696 HE2 HIS 85 HE2 HIS 85 17.240 3.011 13.565 697 H HIS 86 H HIS 86 13.318 1.200 7.761 698 HA HIS 86 HA HIS 86 11.404 3.042 6.485 699 1HB HIS 86 HB2 HIS 86 12.573 0.558 5.208 700 2HB HIS 86 HB3 HIS 86 11.433 1.677 4.473 701 HD1 HIS 86 HD1 HIS 86 14.700 2.451 6.258 702 HD2 HIS 86 HD2 HIS 86 12.887 2.884 2.545 703 HE1 HIS 86 HE1 HIS 86 16.309 3.803 4.877 704 HE2 HIS 86 HE2 HIS 86 15.151 4.126 2.664 705 H THR 87 H THR 87 9.280 2.209 6.176 706 HA THR 87 HA THR 87 8.640 -0.451 7.094 707 HB THR 87 HB THR 87 7.613 1.918 8.663 708 HG1 THR 87 HG1 THR 87 9.315 -0.235 9.444 709 1HG2 THR 87 2HG2 THR 87 5.948 0.121 8.350 710 2HG2 THR 87 1HG2 THR 87 7.094 -1.036 9.028 711 3HG2 THR 87 3HG2 THR 87 6.464 0.271 10.031 712 H LEU 88 H LEU 88 6.572 -1.131 6.544 713 HA LEU 88 HA LEU 88 5.204 0.578 4.600 714 1HB LEU 88 HB2 LEU 88 5.883 -1.718 3.940 715 2HB LEU 88 HB3 LEU 88 4.821 -2.351 5.179 716 HG LEU 88 HG LEU 88 2.894 -1.266 4.006 717 1HD1 LEU 88 3HD1 LEU 88 4.985 -0.762 1.903 718 2HD1 LEU 88 2HD1 LEU 88 3.250 -0.592 1.666 719 3HD1 LEU 88 1HD1 LEU 88 4.091 0.454 2.810 720 1HD2 LEU 88 2HD2 LEU 88 4.522 -3.280 2.463 721 2HD2 LEU 88 1HD2 LEU 88 3.319 -3.622 3.705 722 3HD2 LEU 88 3HD2 LEU 88 2.823 -2.913 2.168 723 H GLU 89 H GLU 89 4.159 1.913 6.150 724 HA GLU 89 HA GLU 89 2.483 0.861 8.171 725 1HB GLU 89 HB2 GLU 89 2.650 3.579 6.879 726 2HB GLU 89 HB3 GLU 89 1.561 3.213 8.211 727 1HG GLU 89 HG2 GLU 89 3.446 2.621 9.610 728 2HG GLU 89 HG3 GLU 89 4.556 2.950 8.280 729 H LEU 90 H LEU 90 0.950 -0.552 7.462 730 HA LEU 90 HA LEU 90 -0.975 0.484 5.487 731 1HB LEU 90 HB2 LEU 90 -0.132 -2.308 6.169 732 2HB LEU 90 HB3 LEU 90 -1.718 -2.017 5.493 733 HG LEU 90 HG LEU 90 0.877 -1.216 4.175 734 1HD1 LEU 90 3HD1 LEU 90 -0.965 -3.538 3.620 735 2HD1 LEU 90 2HD1 LEU 90 0.408 -3.058 2.623 736 3HD1 LEU 90 1HD1 LEU 90 0.672 -3.635 4.269 737 1HD2 LEU 90 3HD2 LEU 90 -1.994 -1.139 3.261 738 2HD2 LEU 90 2HD2 LEU 90 -0.907 0.231 3.499 739 3HD2 LEU 90 1HD2 LEU 90 -0.605 -0.920 2.197 740 H VAL 91 H VAL 91 -3.220 0.192 5.911 741 HA VAL 91 HA VAL 91 -4.007 -0.613 8.580 742 HB VAL 91 HB VAL 91 -3.337 1.642 9.043 743 1HG1 VAL 91 3HG1 VAL 91 -5.059 2.457 6.701 744 2HG1 VAL 91 2HG1 VAL 91 -4.265 3.569 7.819 745 3HG1 VAL 91 1HG1 VAL 91 -3.296 2.518 6.782 746 1HG2 VAL 91 3HG2 VAL 91 -6.336 1.493 8.770 747 2HG2 VAL 91 2HG2 VAL 91 -5.378 0.940 10.144 748 3HG2 VAL 91 1HG2 VAL 91 -5.458 2.659 9.759 749 H TYR 92 H TYR 92 -6.205 -1.028 8.769 750 HA TYR 92 HA TYR 92 -7.696 -1.131 6.253 751 1HB TYR 92 HB2 TYR 92 -7.434 -3.162 7.759 752 2HB TYR 92 HB3 TYR 92 -8.476 -2.339 8.913 753 HD1 TYR 92 HD1 TYR 92 -10.518 -3.420 8.957 754 HD2 TYR 92 HD2 TYR 92 -8.661 -2.693 5.199 755 HE1 TYR 92 HE1 TYR 92 -12.496 -4.326 7.809 756 HE2 TYR 92 HE2 TYR 92 -10.632 -3.594 4.041 757 HH TYR 92 HH TYR 92 -13.586 -4.169 5.614 758 H THR 93 H THR 93 -8.043 1.185 6.267 759 HA THR 93 HA THR 93 -10.073 2.076 8.216 760 HB THR 93 HB THR 93 -8.028 3.316 8.491 761 HG1 THR 93 HG1 THR 93 -10.228 4.409 8.317 762 1HG2 THR 93 3HG2 THR 93 -8.149 3.406 5.525 763 2HG2 THR 93 2HG2 THR 93 -7.493 4.823 6.352 764 3HG2 THR 93 1HG2 THR 93 -6.758 3.236 6.598 765 H ARG 94 H ARG 94 -11.618 3.656 7.477 766 HA ARG 94 HA ARG 94 -12.403 3.226 4.689 767 1HB ARG 94 HB2 ARG 94 -13.845 3.841 7.198 768 2HB ARG 94 HB3 ARG 94 -14.470 4.611 5.748 769 1HG ARG 94 HG2 ARG 94 -14.644 2.402 4.681 770 2HG ARG 94 HG3 ARG 94 -14.086 1.659 6.181 771 1HD ARG 94 HD2 ARG 94 -16.471 1.518 6.126 772 2HD ARG 94 HD3 ARG 94 -16.021 2.709 7.343 773 HE ARG 94 HE ARG 94 -16.422 4.264 5.214 774 1HH1 ARG 94 1HH1 ARG 94 -18.329 1.664 6.535 775 2HH1 ARG 94 2HH1 ARG 94 -19.836 2.325 5.997 776 1HH2 ARG 94 1HH2 ARG 94 -18.402 5.141 4.503 777 2HH2 ARG 94 2HH2 ARG 94 -19.879 4.301 4.842 778 HA PRO 95 HA PRO 95 -10.261 7.206 3.924 779 1HB PRO 95 HB2 PRO 95 -11.835 6.628 1.439 780 2HB PRO 95 HB3 PRO 95 -10.192 7.254 1.604 781 1HG PRO 95 HG2 PRO 95 -10.639 4.678 1.020 782 2HG PRO 95 HG3 PRO 95 -9.303 5.169 2.073 783 1HD PRO 95 HD2 PRO 95 -11.831 3.809 2.751 784 2HD PRO 95 HD3 PRO 95 -10.282 3.814 3.610 785 H PHE 96 H PHE 96 -13.659 6.420 3.332 786 HA PHE 96 HA PHE 96 -14.553 9.068 2.973 787 1HB PHE 96 HB2 PHE 96 -16.018 6.556 3.784 788 2HB PHE 96 HB3 PHE 96 -16.785 8.055 3.299 789 HD1 PHE 96 HD1 PHE 96 -14.622 5.312 2.128 790 HD2 PHE 96 HD2 PHE 96 -17.077 8.610 1.028 791 HE1 PHE 96 HE1 PHE 96 -14.512 4.603 -0.225 792 HE2 PHE 96 HE2 PHE 96 -16.975 7.905 -1.328 793 HZ PHE 96 HZ PHE 96 -15.692 5.899 -1.957 794 H GLU 97 H GLU 97 -15.141 6.860 5.725 795 HA GLU 97 HA GLU 97 -15.989 9.023 7.410 796 1HB GLU 97 HB2 GLU 97 -15.395 6.134 8.056 797 2HB GLU 97 HB3 GLU 97 -16.136 7.279 9.165 798 1HG GLU 97 HG2 GLU 97 -18.000 7.549 7.550 799 2HG GLU 97 HG3 GLU 97 -17.274 6.279 6.565 800 H GLY 98 H GLY 98 -13.005 8.338 6.387 801 1HA GLY 98 HA3 GLY 98 -11.795 9.583 8.718 802 2HA GLY 98 HA2 GLY 98 -11.004 9.276 7.179 803 H ILE 99 H ILE 99 -9.705 8.780 9.535 804 HA ILE 99 HA ILE 99 -9.597 5.846 9.507 805 HB ILE 99 HB ILE 99 -7.309 7.605 10.306 806 1HG1 ILE 99 2HG1 ILE 99 -7.876 6.574 7.520 807 2HG1 ILE 99 3HG1 ILE 99 -8.126 8.242 8.023 808 1HG2 ILE 99 1HG2 ILE 99 -7.755 4.742 9.655 809 2HG2 ILE 99 3HG2 ILE 99 -6.198 5.452 9.224 810 3HG2 ILE 99 2HG2 ILE 99 -6.743 5.472 10.903 811 1HD1 ILE 99 3HD1 ILE 99 -5.724 8.426 8.514 812 2HD1 ILE 99 2HD1 ILE 99 -5.497 6.771 7.948 813 3HD1 ILE 99 1HD1 ILE 99 -6.037 8.020 6.826 814 H LYS 100 H LYS 100 -10.181 4.855 11.270 815 HA LYS 100 HA LYS 100 -10.121 6.287 13.836 816 1HB LYS 100 HB2 LYS 100 -11.641 3.743 13.421 817 2HB LYS 100 HB3 LYS 100 -11.996 5.090 14.495 818 1HG LYS 100 HG2 LYS 100 -12.668 6.452 12.597 819 2HG LYS 100 HG3 LYS 100 -12.295 5.118 11.502 820 1HD LYS 100 HD2 LYS 100 -14.260 4.146 11.888 821 2HD LYS 100 HD3 LYS 100 -14.053 4.275 13.637 822 1HE LYS 100 HE2 LYS 100 -16.042 5.480 12.860 823 2HE LYS 100 HE3 LYS 100 -14.853 6.559 13.591 824 1HZ LYS 100 HZ2 LYS 100 -15.244 6.148 10.676 825 2HZ LYS 100 HZ1 LYS 100 -15.776 7.489 11.559 826 3HZ LYS 100 HZ3 LYS 100 -14.119 7.194 11.382 827 HA PRO 101 HA PRO 101 -7.128 3.534 15.544 828 1HB PRO 101 HB2 PRO 101 -8.767 3.060 17.936 829 2HB PRO 101 HB3 PRO 101 -7.216 3.885 17.789 830 1HG PRO 101 HG2 PRO 101 -9.493 5.214 18.307 831 2HG PRO 101 HG3 PRO 101 -8.196 5.910 17.325 832 1HD PRO 101 HD2 PRO 101 -10.770 4.665 16.447 833 2HD PRO 101 HD3 PRO 101 -9.961 6.123 15.837 834 H GLU 102 H GLU 102 -10.456 2.414 15.916 835 HA GLU 102 HA GLU 102 -9.992 -0.260 16.485 836 1HB GLU 102 HB2 GLU 102 -12.249 -0.663 15.537 837 2HB GLU 102 HB3 GLU 102 -12.192 0.670 16.684 838 1HG GLU 102 HG2 GLU 102 -12.119 2.254 14.850 839 2HG GLU 102 HG3 GLU 102 -12.154 0.926 13.695 840 H ASN 103 H ASN 103 -9.393 1.426 13.585 841 HA ASN 103 HA ASN 103 -9.779 -0.583 11.669 842 1HB ASN 103 HB2 ASN 103 -7.752 1.659 11.691 843 2HB ASN 103 HB3 ASN 103 -8.187 0.702 10.279 844 1HD2 ASN 103 1HD2 ASN 103 -11.022 0.627 11.266 845 2HD2 ASN 103 2HD2 ASN 103 -11.668 2.169 10.831 846 H GLU 104 H GLU 104 -8.490 -2.183 10.839 847 HA GLU 104 HA GLU 104 -6.660 -3.446 12.532 848 1HB GLU 104 HB2 GLU 104 -8.062 -4.162 10.312 849 2HB GLU 104 HB3 GLU 104 -6.438 -4.030 9.650 850 1HG GLU 104 HG2 GLU 104 -5.625 -5.572 11.343 851 2HG GLU 104 HG3 GLU 104 -7.250 -5.714 12.004 852 H ARG 105 H ARG 105 -4.399 -4.103 11.625 853 HA ARG 105 HA ARG 105 -3.040 -1.759 10.487 854 1HB ARG 105 HB2 ARG 105 -2.797 -1.630 12.921 855 2HB ARG 105 HB3 ARG 105 -2.182 -3.271 12.963 856 1HG ARG 105 HG2 ARG 105 -0.201 -2.162 13.060 857 2HG ARG 105 HG3 ARG 105 -0.394 -2.242 11.303 858 1HD ARG 105 HD2 ARG 105 0.209 0.004 11.939 859 2HD ARG 105 HD3 ARG 105 -1.450 -0.020 11.334 860 HE ARG 105 HE ARG 105 -1.548 -0.341 14.097 861 1HH1 ARG 105 1HH1 ARG 105 -0.610 2.082 11.775 862 2HH1 ARG 105 2HH1 ARG 105 -0.985 3.413 12.818 863 1HH2 ARG 105 1HH2 ARG 105 -2.046 1.406 15.477 864 2HH2 ARG 105 2HH2 ARG 105 -1.801 3.028 14.923 865 H TYR 106 H TYR 106 -0.871 -2.232 9.701 866 HA TYR 106 HA TYR 106 0.167 -4.855 9.530 867 1HB TYR 106 HB2 TYR 106 -1.758 -4.960 7.877 868 2HB TYR 106 HB3 TYR 106 -0.860 -3.804 6.892 869 HD1 TYR 106 HD1 TYR 106 -1.397 -7.214 7.677 870 HD2 TYR 106 HD2 TYR 106 1.543 -4.521 6.201 871 HE1 TYR 106 HE1 TYR 106 -0.179 -9.097 6.690 872 HE2 TYR 106 HE2 TYR 106 2.774 -6.400 5.210 873 HH TYR 106 HH TYR 106 2.996 -8.831 5.524 874 H THR 107 H THR 107 1.743 -3.391 10.459 875 HA THR 107 HA THR 107 3.056 -1.576 8.591 876 HB THR 107 HB THR 107 4.373 -1.710 11.131 877 HG1 THR 107 HG1 THR 107 2.702 -1.357 12.513 878 1HG2 THR 107 3HG2 THR 107 4.273 0.211 9.535 879 2HG2 THR 107 2HG2 THR 107 2.592 0.451 10.007 880 3HG2 THR 107 1HG2 THR 107 3.879 0.641 11.198 881 H LEU 108 H LEU 108 4.176 -2.957 7.199 882 HA LEU 108 HA LEU 108 5.862 -5.039 8.234 883 1HB LEU 108 HB2 LEU 108 4.987 -5.443 6.079 884 2HB LEU 108 HB3 LEU 108 5.473 -3.869 5.495 885 HG LEU 108 HG LEU 108 7.809 -4.535 5.501 886 1HD1 LEU 108 3HD1 LEU 108 6.807 -7.186 6.531 887 2HD1 LEU 108 2HD1 LEU 108 8.457 -6.841 6.015 888 3HD1 LEU 108 1HD1 LEU 108 7.784 -6.022 7.425 889 1HD2 LEU 108 1HD2 LEU 108 6.481 -4.997 3.511 890 2HD2 LEU 108 3HD2 LEU 108 7.729 -6.221 3.745 891 3HD2 LEU 108 2HD2 LEU 108 6.051 -6.580 4.157 892 H HIS 109 H HIS 109 7.238 -4.021 9.670 893 HA HIS 109 HA HIS 109 8.850 -1.788 8.935 894 1HB HIS 109 HB2 HIS 109 8.819 -3.668 11.257 895 2HB HIS 109 HB3 HIS 109 10.138 -2.527 11.050 896 HD1 HIS 109 HD1 HIS 109 9.690 -0.109 11.659 897 HD2 HIS 109 HD2 HIS 109 6.277 -2.480 11.766 898 HE1 HIS 109 HE1 HIS 109 7.913 1.317 12.723 899 HE2 HIS 109 HE2 HIS 109 5.882 -0.167 12.855 900 H LEU 110 H LEU 110 10.997 -1.713 8.420 901 HA LEU 110 HA LEU 110 12.438 -4.177 7.876 902 1HB LEU 110 HB2 LEU 110 11.923 -2.104 5.742 903 2HB LEU 110 HB3 LEU 110 12.944 -3.516 5.567 904 HG LEU 110 HG LEU 110 9.964 -3.617 6.067 905 1HD1 LEU 110 1HD1 LEU 110 11.513 -3.917 3.498 906 2HD1 LEU 110 3HD1 LEU 110 9.792 -4.250 3.699 907 3HD1 LEU 110 2HD1 LEU 110 10.403 -2.609 3.909 908 1HD2 LEU 110 3HD2 LEU 110 11.373 -5.576 6.792 909 2HD2 LEU 110 2HD2 LEU 110 10.108 -5.935 5.618 910 3HD2 LEU 110 1HD2 LEU 110 11.785 -5.802 5.094 911 H ASN 111 H ASN 111 14.316 -3.841 8.892 912 HA ASN 111 HA ASN 111 15.424 -1.182 9.159 913 1HB ASN 111 HB2 ASN 111 15.526 -2.882 11.003 914 2HB ASN 111 HB3 ASN 111 16.622 -3.832 10.008 915 1HD2 ASN 111 1HD2 ASN 111 18.730 -3.184 9.759 916 2HD2 ASN 111 2HD2 ASN 111 19.439 -1.915 10.692 917 H VAL 112 H VAL 112 15.271 -1.455 6.627 918 HA VAL 112 HA VAL 112 16.839 -2.820 4.963 919 HB VAL 112 HB VAL 112 16.953 0.148 4.627 920 1HG1 VAL 112 3HG1 VAL 112 17.859 -1.352 2.909 921 2HG1 VAL 112 2HG1 VAL 112 16.272 -2.107 2.750 922 3HG1 VAL 112 1HG1 VAL 112 16.490 -0.413 2.312 923 1HG2 VAL 112 3HG2 VAL 112 14.447 -1.516 4.557 924 2HG2 VAL 112 2HG2 VAL 112 14.757 -0.057 5.498 925 3HG2 VAL 112 1HG2 VAL 112 14.597 0.041 3.745 926 H LYS 113 H LYS 113 18.926 -3.270 4.706 927 HA LYS 113 HA LYS 113 20.914 -2.267 6.439 928 1HB LYS 113 HB2 LYS 113 21.158 -3.817 3.856 929 2HB LYS 113 HB3 LYS 113 22.492 -3.506 4.958 930 1HG LYS 113 HG2 LYS 113 19.990 -4.996 5.708 931 2HG LYS 113 HG3 LYS 113 21.495 -5.759 5.193 932 1HD LYS 113 HD2 LYS 113 22.662 -4.700 7.076 933 2HD LYS 113 HD3 LYS 113 21.140 -3.973 7.599 934 1HE LYS 113 HE2 LYS 113 21.626 -5.968 8.896 935 2HE LYS 113 HE3 LYS 113 20.185 -6.203 7.908 936 1HZ LYS 113 HZ1 LYS 113 22.907 -7.190 7.246 937 2HZ LYS 113 HZ3 LYS 113 21.635 -8.134 7.842 938 3HZ LYS 113 HZ2 LYS 113 21.517 -7.425 6.311 No H/Q in entry = 938 Start of MODEL 35 1 H1 GLY -2 HT2 GLY -2 -8.917 -14.547 21.660 2 H2 GLY -2 HT1 GLY -2 -8.550 -16.187 21.854 3 H3 GLY -2 HT3 GLY -2 -8.692 -15.531 20.301 4 1HA GLY -2 HA2 GLY -2 -10.656 -16.813 20.849 5 2HA GLY -2 HA3 GLY -2 -11.038 -15.110 20.644 6 H SER -1 H SER -1 -10.612 -13.874 22.874 7 HA SER -1 HA SER -1 -12.296 -15.280 24.821 8 1HB SER -1 HB2 SER -1 -9.753 -13.786 25.510 9 2HB SER -1 HB3 SER -1 -10.894 -14.449 26.679 10 HG SER -1 HG SER -1 -10.234 -16.436 26.230 11 H HIS 0 H HIS 0 -11.491 -12.483 23.093 12 HA HIS 0 HA HIS 0 -13.531 -10.965 24.569 13 1HB HIS 0 HB2 HIS 0 -10.917 -9.854 23.522 14 2HB HIS 0 HB3 HIS 0 -12.215 -8.901 24.235 15 HD1 HIS 0 HD1 HIS 0 -9.265 -10.909 25.095 16 HD2 HIS 0 HD2 HIS 0 -12.593 -9.376 27.055 17 HE1 HIS 0 HE1 HIS 0 -8.725 -11.050 27.546 18 HE2 HIS 0 HE2 HIS 0 -10.786 -10.194 28.716 19 H MET 1 H MET 1 -15.044 -10.033 23.329 20 HA MET 1 HA MET 1 -16.274 -9.494 21.497 21 1HB MET 1 HB2 MET 1 -13.540 -8.891 20.357 22 2HB MET 1 HB3 MET 1 -15.061 -8.417 19.612 23 1HG MET 1 HG2 MET 1 -14.051 -7.524 22.303 24 2HG MET 1 HG3 MET 1 -14.056 -6.569 20.821 25 1HE MET 1 HE2 MET 1 -16.269 -5.738 19.605 26 2HE MET 1 HE1 MET 1 -16.864 -7.397 19.547 27 3HE MET 1 HE3 MET 1 -17.896 -6.112 20.174 28 H ILE 2 H ILE 2 -15.953 -9.798 18.801 29 HA ILE 2 HA ILE 2 -16.534 -12.516 18.414 30 HB ILE 2 HB ILE 2 -15.695 -10.502 16.325 31 1HG1 ILE 2 2HG1 ILE 2 -17.603 -9.702 17.637 32 2HG1 ILE 2 3HG1 ILE 2 -18.107 -10.128 16.005 33 1HG2 ILE 2 2HG2 ILE 2 -17.211 -13.097 16.081 34 2HG2 ILE 2 1HG2 ILE 2 -16.961 -11.937 14.776 35 3HG2 ILE 2 3HG2 ILE 2 -15.581 -12.772 15.491 36 1HD1 ILE 2 1HD1 ILE 2 -18.995 -12.245 16.833 37 2HD1 ILE 2 3HD1 ILE 2 -18.500 -11.809 18.468 38 3HD1 ILE 2 2HD1 ILE 2 -19.734 -10.861 17.640 39 H ALA 3 H ALA 3 -13.732 -10.694 17.150 40 HA ALA 3 HA ALA 3 -11.867 -12.702 17.878 41 1HB ALA 3 HB2 ALA 3 -12.578 -12.595 14.949 42 2HB ALA 3 HB1 ALA 3 -11.259 -13.523 15.664 43 3HB ALA 3 HB3 ALA 3 -12.932 -13.923 16.055 44 HA PRO 4 HA PRO 4 -9.655 -9.316 15.213 45 1HB PRO 4 HB2 PRO 4 -11.165 -7.232 14.341 46 2HB PRO 4 HB3 PRO 4 -10.883 -8.687 13.380 47 1HG PRO 4 HG2 PRO 4 -13.251 -7.953 15.060 48 2HG PRO 4 HG3 PRO 4 -13.210 -8.676 13.441 49 1HD PRO 4 HD2 PRO 4 -13.645 -10.142 15.666 50 2HD PRO 4 HD3 PRO 4 -12.778 -10.791 14.260 51 H LEU 5 H LEU 5 -8.757 -8.785 17.178 52 HA LEU 5 HA LEU 5 -9.248 -6.186 18.177 53 1HB LEU 5 HB2 LEU 5 -11.170 -7.278 19.226 54 2HB LEU 5 HB3 LEU 5 -10.111 -8.474 19.947 55 HG LEU 5 HG LEU 5 -9.009 -6.635 21.235 56 1HD1 LEU 5 2HD1 LEU 5 -11.286 -4.990 20.140 57 2HD1 LEU 5 1HD1 LEU 5 -10.165 -4.487 21.404 58 3HD1 LEU 5 3HD1 LEU 5 -9.576 -4.777 19.768 59 1HD2 LEU 5 2HD2 LEU 5 -10.732 -8.036 22.242 60 2HD2 LEU 5 1HD2 LEU 5 -10.820 -6.383 22.849 61 3HD2 LEU 5 3HD2 LEU 5 -11.980 -6.942 21.644 62 H SER 6 H SER 6 -7.046 -5.968 17.876 63 HA SER 6 HA SER 6 -4.840 -5.999 18.416 64 1HB SER 6 HB2 SER 6 -5.683 -5.380 20.645 65 2HB SER 6 HB3 SER 6 -5.846 -7.086 21.057 66 HG SER 6 HG SER 6 -3.358 -6.391 20.131 67 H VAL 7 H VAL 7 -6.396 -8.565 17.558 68 HA VAL 7 HA VAL 7 -4.101 -10.367 17.953 69 HB VAL 7 HB VAL 7 -7.005 -11.208 17.968 70 1HG1 VAL 7 1HG1 VAL 7 -4.484 -12.836 18.280 71 2HG1 VAL 7 3HG1 VAL 7 -6.127 -13.442 18.481 72 3HG1 VAL 7 2HG1 VAL 7 -5.586 -12.870 16.903 73 1HG2 VAL 7 1HG2 VAL 7 -6.350 -10.110 20.046 74 2HG2 VAL 7 3HG2 VAL 7 -6.603 -11.836 20.297 75 3HG2 VAL 7 2HG2 VAL 7 -4.965 -11.192 20.191 76 H LYS 8 H LYS 8 -3.228 -10.000 15.948 77 HA LYS 8 HA LYS 8 -4.112 -11.510 13.793 78 1HB LYS 8 HB2 LYS 8 -5.892 -9.773 13.644 79 2HB LYS 8 HB3 LYS 8 -4.647 -8.550 13.423 80 1HG LYS 8 HG2 LYS 8 -3.923 -9.696 11.367 81 2HG LYS 8 HG3 LYS 8 -5.233 -10.859 11.580 82 1HD LYS 8 HD2 LYS 8 -6.859 -9.015 11.469 83 2HD LYS 8 HD3 LYS 8 -5.531 -7.884 11.195 84 1HE LYS 8 HE2 LYS 8 -6.618 -8.491 9.096 85 2HE LYS 8 HE3 LYS 8 -4.946 -9.052 9.136 86 1HZ LYS 8 HZ3 LYS 8 -7.341 -10.724 9.675 87 2HZ LYS 8 HZ2 LYS 8 -6.428 -10.740 8.251 88 3HZ LYS 8 HZ1 LYS 8 -5.736 -11.261 9.704 89 H ASP 9 H ASP 9 -2.656 -11.399 12.025 90 HA ASP 9 HA ASP 9 -0.048 -10.432 12.799 91 1HB ASP 9 HB2 ASP 9 -0.401 -12.660 11.700 92 2HB ASP 9 HB3 ASP 9 -0.849 -11.803 10.228 93 H ASN 10 H ASN 10 0.488 -8.381 12.447 94 HA ASN 10 HA ASN 10 -0.233 -7.167 9.887 95 1HB ASN 10 HB2 ASN 10 -0.332 -4.988 11.322 96 2HB ASN 10 HB3 ASN 10 -1.729 -6.046 11.232 97 1HD2 ASN 10 1HD2 ASN 10 -0.940 -4.099 13.237 98 2HD2 ASN 10 2HD2 ASN 10 -0.845 -4.964 14.723 99 H ASP 11 H ASP 11 1.332 -5.463 12.438 100 HA ASP 11 HA ASP 11 3.417 -4.491 10.948 101 1HB ASP 11 HB2 ASP 11 4.517 -4.253 13.320 102 2HB ASP 11 HB3 ASP 11 3.084 -3.320 12.902 103 H LYS 12 H LYS 12 4.703 -5.766 9.823 104 HA LYS 12 HA LYS 12 5.873 -8.150 11.012 105 1HB LYS 12 HB2 LYS 12 5.603 -7.062 8.265 106 2HB LYS 12 HB3 LYS 12 7.017 -8.056 8.585 107 1HG LYS 12 HG2 LYS 12 4.447 -9.142 9.521 108 2HG LYS 12 HG3 LYS 12 4.652 -9.031 7.772 109 1HD LYS 12 HD2 LYS 12 5.387 -11.204 8.555 110 2HD LYS 12 HD3 LYS 12 6.766 -10.280 7.961 111 1HE LYS 12 HE2 LYS 12 7.310 -11.446 10.035 112 2HE LYS 12 HE3 LYS 12 7.378 -9.697 10.248 113 1HZ LYS 12 HZ2 LYS 12 5.184 -9.775 11.261 114 2HZ LYS 12 HZ1 LYS 12 5.124 -11.453 11.061 115 3HZ LYS 12 HZ3 LYS 12 6.267 -10.765 12.102 116 H TRP 13 H TRP 13 7.278 -7.325 12.543 117 HA TRP 13 HA TRP 13 9.227 -5.336 11.964 118 1HB TRP 13 HB2 TRP 13 9.401 -7.277 14.245 119 2HB TRP 13 HB3 TRP 13 9.886 -5.588 14.182 120 HD1 TRP 13 HD1 TRP 13 6.761 -7.777 14.545 121 HE1 TRP 13 HE1 TRP 13 4.844 -6.345 15.486 122 HE3 TRP 13 HE3 TRP 13 9.045 -3.201 14.461 123 HZ2 TRP 13 HZ2 TRP 13 4.345 -3.628 16.100 124 HZ3 TRP 13 HZ3 TRP 13 7.784 -1.242 15.250 125 HH2 TRP 13 HH2 TRP 13 5.490 -1.454 16.057 126 H VAL 14 H VAL 14 10.605 -5.856 10.313 127 HA VAL 14 HA VAL 14 12.573 -7.919 10.886 128 HB VAL 14 HB VAL 14 10.734 -9.147 9.762 129 1HG1 VAL 14 1HG1 VAL 14 9.907 -7.390 8.315 130 2HG1 VAL 14 3HG1 VAL 14 11.421 -7.401 7.410 131 3HG1 VAL 14 2HG1 VAL 14 10.355 -8.806 7.366 132 1HG2 VAL 14 1HG2 VAL 14 13.157 -9.803 9.615 133 2HG2 VAL 14 3HG2 VAL 14 12.104 -10.442 8.353 134 3HG2 VAL 14 2HG2 VAL 14 13.162 -9.076 8.007 135 H ASP 15 H ASP 15 14.199 -8.060 9.123 136 HA ASP 15 HA ASP 15 15.039 -5.384 8.400 137 1HB ASP 15 HB2 ASP 15 16.288 -8.088 8.518 138 2HB ASP 15 HB3 ASP 15 17.041 -6.864 7.494 139 H THR 16 H THR 16 16.437 -5.624 6.097 140 HA THR 16 HA THR 16 15.163 -7.044 4.017 141 HB THR 16 HB THR 16 13.396 -5.287 4.699 142 HG1 THR 16 HG1 THR 16 13.925 -6.471 2.474 143 1HG2 THR 16 3HG2 THR 16 14.910 -3.368 4.810 144 2HG2 THR 16 2HG2 THR 16 15.258 -3.543 3.090 145 3HG2 THR 16 1HG2 THR 16 13.634 -3.111 3.621 146 H HIS 17 H HIS 17 15.488 -5.578 1.839 147 HA HIS 17 HA HIS 17 18.295 -4.684 1.883 148 1HB HIS 17 HB2 HIS 17 16.785 -6.437 -0.002 149 2HB HIS 17 HB3 HIS 17 18.042 -5.402 -0.669 150 HD1 HIS 17 HD1 HIS 17 17.511 -8.556 1.117 151 HD2 HIS 17 HD2 HIS 17 20.674 -5.956 0.413 152 HE1 HIS 17 HE1 HIS 17 19.588 -9.857 1.679 153 HE2 HIS 17 HE2 HIS 17 21.494 -8.294 1.156 154 H VAL 18 H VAL 18 18.253 -3.729 -0.832 155 HA VAL 18 HA VAL 18 16.642 -1.313 -0.402 156 HB VAL 18 HB VAL 18 18.904 -1.695 -2.364 157 1HG1 VAL 18 3HG1 VAL 18 17.424 0.760 -1.421 158 2HG1 VAL 18 2HG1 VAL 18 18.877 0.783 -2.421 159 3HG1 VAL 18 1HG1 VAL 18 17.392 0.059 -3.039 160 1HG2 VAL 18 2HG2 VAL 18 19.708 -1.919 -0.073 161 2HG2 VAL 18 1HG2 VAL 18 20.259 -0.402 -0.786 162 3HG2 VAL 18 3HG2 VAL 18 18.919 -0.403 0.362 163 H GLY 19 H GLY 19 15.037 -0.728 -1.688 164 1HA GLY 19 HA3 GLY 19 14.712 -1.237 -4.399 165 2HA GLY 19 HA2 GLY 19 13.414 -0.848 -3.289 166 H LYS 20 H LYS 20 14.282 -3.427 -1.786 167 HA LYS 20 HA LYS 20 13.729 -5.588 -3.504 168 1HB LYS 20 HB2 LYS 20 14.561 -5.362 -0.921 169 2HB LYS 20 HB3 LYS 20 12.909 -5.896 -0.691 170 1HG LYS 20 HG2 LYS 20 14.108 -7.869 -0.747 171 2HG LYS 20 HG3 LYS 20 13.481 -7.731 -2.394 172 1HD LYS 20 HD2 LYS 20 15.549 -7.023 -3.235 173 2HD LYS 20 HD3 LYS 20 16.152 -6.641 -1.627 174 1HE LYS 20 HE2 LYS 20 16.190 -9.020 -1.069 175 2HE LYS 20 HE3 LYS 20 15.558 -9.408 -2.668 176 1HZ LYS 20 HZ3 LYS 20 17.561 -8.467 -3.645 177 2HZ LYS 20 HZ2 LYS 20 18.169 -8.108 -2.108 178 3HZ LYS 20 HZ1 LYS 20 17.946 -9.718 -2.573 179 H THR 21 H THR 21 11.962 -4.886 -4.742 180 HA THR 21 HA THR 21 9.537 -3.924 -3.936 181 HB THR 21 HB THR 21 9.758 -6.003 -6.105 182 HG1 THR 21 HG1 THR 21 11.433 -4.308 -6.205 183 1HG2 THR 21 3HG2 THR 21 8.044 -3.535 -5.780 184 2HG2 THR 21 2HG2 THR 21 8.024 -4.625 -7.168 185 3HG2 THR 21 1HG2 THR 21 7.509 -5.204 -5.583 186 H THR 22 H THR 22 8.549 -4.692 -2.160 187 HA THR 22 HA THR 22 8.062 -7.570 -1.931 188 HB THR 22 HB THR 22 7.642 -5.330 0.060 189 HG1 THR 22 HG1 THR 22 9.319 -7.351 0.766 190 1HG2 THR 22 1HG2 THR 22 5.965 -7.101 0.362 191 2HG2 THR 22 3HG2 THR 22 7.254 -8.302 0.433 192 3HG2 THR 22 2HG2 THR 22 7.124 -7.072 1.691 193 H GLU 23 H GLU 23 6.413 -8.085 -3.210 194 HA GLU 23 HA GLU 23 4.078 -6.456 -3.497 195 1HB GLU 23 HB2 GLU 23 5.000 -7.826 -5.331 196 2HB GLU 23 HB3 GLU 23 4.651 -9.279 -4.405 197 1HG GLU 23 HG2 GLU 23 2.308 -8.908 -4.555 198 2HG GLU 23 HG3 GLU 23 2.562 -7.303 -5.236 199 H ILE 24 H ILE 24 2.184 -6.640 -2.478 200 HA ILE 24 HA ILE 24 1.697 -8.999 -0.809 201 HB ILE 24 HB ILE 24 1.239 -6.186 0.145 202 1HG1 ILE 24 2HG1 ILE 24 3.415 -8.131 0.925 203 2HG1 ILE 24 3HG1 ILE 24 3.646 -6.677 -0.038 204 1HG2 ILE 24 3HG2 ILE 24 -0.284 -7.898 1.044 205 2HG2 ILE 24 2HG2 ILE 24 1.109 -8.816 1.614 206 3HG2 ILE 24 1HG2 ILE 24 0.769 -7.223 2.287 207 1HD1 ILE 24 3HD1 ILE 24 2.912 -5.323 1.875 208 2HD1 ILE 24 2HD1 ILE 24 2.774 -6.796 2.836 209 3HD1 ILE 24 1HD1 ILE 24 4.347 -6.285 2.224 210 H HIS 25 H HIS 25 -0.020 -9.815 -1.854 211 HA HIS 25 HA HIS 25 -2.164 -8.121 -2.794 212 1HB HIS 25 HB2 HIS 25 -2.292 -11.118 -2.622 213 2HB HIS 25 HB3 HIS 25 -3.075 -10.049 -3.773 214 HD1 HIS 25 HD1 HIS 25 -0.564 -12.457 -3.758 215 HD2 HIS 25 HD2 HIS 25 -0.795 -8.611 -5.312 216 HE1 HIS 25 HE1 HIS 25 1.190 -12.352 -5.555 217 HE2 HIS 25 HE2 HIS 25 0.938 -10.060 -6.569 218 H LEU 26 H LEU 26 -3.167 -7.201 -1.072 219 HA LEU 26 HA LEU 26 -3.964 -8.882 1.188 220 1HB LEU 26 HB2 LEU 26 -4.196 -5.902 0.812 221 2HB LEU 26 HB3 LEU 26 -4.553 -6.776 2.287 222 HG LEU 26 HG LEU 26 -1.804 -6.894 1.091 223 1HD1 LEU 26 2HD1 LEU 26 -2.361 -4.523 1.258 224 2HD1 LEU 26 1HD1 LEU 26 -2.846 -4.751 2.939 225 3HD1 LEU 26 3HD1 LEU 26 -1.163 -4.984 2.468 226 1HD2 LEU 26 2HD2 LEU 26 -2.535 -8.418 2.952 227 2HD2 LEU 26 1HD2 LEU 26 -1.130 -7.414 3.312 228 3HD2 LEU 26 3HD2 LEU 26 -2.711 -6.982 3.963 229 H LYS 27 H LYS 27 -6.099 -9.064 1.854 230 HA LYS 27 HA LYS 27 -8.086 -8.323 -0.183 231 1HB LYS 27 HB2 LYS 27 -8.280 -10.588 1.800 232 2HB LYS 27 HB3 LYS 27 -9.393 -10.238 0.489 233 1HG LYS 27 HG2 LYS 27 -7.797 -10.839 -1.152 234 2HG LYS 27 HG3 LYS 27 -6.499 -10.917 0.036 235 1HD LYS 27 HD2 LYS 27 -7.064 -13.155 -0.359 236 2HD LYS 27 HD3 LYS 27 -7.883 -12.759 1.153 237 1HE LYS 27 HE2 LYS 27 -9.200 -12.660 -1.555 238 2HE LYS 27 HE3 LYS 27 -9.268 -14.053 -0.477 239 1HZ LYS 27 HZ2 LYS 27 -10.268 -12.549 1.210 240 2HZ LYS 27 HZ1 LYS 27 -10.362 -11.343 0.029 241 3HZ LYS 27 HZ3 LYS 27 -11.231 -12.782 -0.161 242 H GLY 28 H GLY 28 -10.284 -7.949 0.676 243 1HA GLY 28 HA3 GLY 28 -10.203 -5.929 2.654 244 2HA GLY 28 HA2 GLY 28 -10.843 -7.407 3.349 245 H ASN 29 H ASN 29 -11.387 -6.753 0.002 246 HA ASN 29 HA ASN 29 -13.271 -6.383 -1.211 247 1HB ASN 29 HB2 ASN 29 -14.239 -8.217 0.075 248 2HB ASN 29 HB3 ASN 29 -14.670 -7.107 1.371 249 1HD2 ASN 29 1HD2 ASN 29 -16.842 -7.500 1.261 250 2HD2 ASN 29 2HD2 ASN 29 -17.827 -6.998 -0.066 251 HA PRO 30 HA PRO 30 -13.463 -1.982 -0.071 252 1HB PRO 30 HB2 PRO 30 -14.696 -1.323 -2.481 253 2HB PRO 30 HB3 PRO 30 -12.958 -1.314 -2.181 254 1HG PRO 30 HG2 PRO 30 -14.648 -3.401 -3.479 255 2HG PRO 30 HG3 PRO 30 -13.006 -2.870 -3.887 256 1HD PRO 30 HD2 PRO 30 -13.440 -5.166 -2.587 257 2HD PRO 30 HD3 PRO 30 -12.043 -4.140 -2.197 258 H THR 31 H THR 31 -16.020 -4.079 -1.230 259 HA THR 31 HA THR 31 -18.224 -2.418 -0.931 260 HB THR 31 HB THR 31 -18.245 -5.365 -0.296 261 HG1 THR 31 HG1 THR 31 -17.605 -4.074 -2.641 262 1HG2 THR 31 2HG2 THR 31 -20.331 -4.151 0.072 263 2HG2 THR 31 1HG2 THR 31 -20.262 -3.527 -1.575 264 3HG2 THR 31 3HG2 THR 31 -20.475 -5.254 -1.297 265 H THR 32 H THR 32 -16.245 -3.952 1.462 266 HA THR 32 HA THR 32 -18.039 -4.076 3.610 267 HB THR 32 HB THR 32 -16.045 -4.013 5.075 268 HG1 THR 32 HG1 THR 32 -14.329 -3.035 4.336 269 1HG2 THR 32 1HG2 THR 32 -16.721 -6.122 4.039 270 2HG2 THR 32 3HG2 THR 32 -15.734 -5.751 2.624 271 3HG2 THR 32 2HG2 THR 32 -14.966 -6.029 4.187 272 H GLY 33 H GLY 33 -15.532 -1.583 3.055 273 1HA GLY 33 HA3 GLY 33 -16.884 0.209 4.890 274 2HA GLY 33 HA2 GLY 33 -16.943 0.701 3.205 275 H TYR 34 H TYR 34 -14.377 -0.742 5.218 276 HA TYR 34 HA TYR 34 -12.835 1.679 5.192 277 1HB TYR 34 HB2 TYR 34 -12.128 -1.115 6.098 278 2HB TYR 34 HB3 TYR 34 -11.102 0.296 6.327 279 HD1 TYR 34 HD1 TYR 34 -14.497 -1.009 7.131 280 HD2 TYR 34 HD2 TYR 34 -11.310 1.582 8.265 281 HE1 TYR 34 HE1 TYR 34 -15.638 -0.544 9.258 282 HE2 TYR 34 HE2 TYR 34 -12.449 2.051 10.393 283 HH TYR 34 HH TYR 34 -15.067 0.222 11.526 284 H MET 35 H MET 35 -10.309 1.132 4.739 285 HA MET 35 HA MET 35 -10.024 -0.148 2.146 286 1HB MET 35 HB2 MET 35 -10.288 2.039 1.410 287 2HB MET 35 HB3 MET 35 -9.540 2.719 2.850 288 1HG MET 35 HG2 MET 35 -7.377 1.712 2.033 289 2HG MET 35 HG3 MET 35 -8.213 1.416 0.520 290 1HE MET 35 HE1 MET 35 -6.179 2.799 -0.573 291 2HE MET 35 HE3 MET 35 -7.714 3.028 -1.411 292 3HE MET 35 HE2 MET 35 -6.663 4.410 -1.104 293 H TRP 36 H TRP 36 -7.938 -0.847 1.729 294 HA TRP 36 HA TRP 36 -6.178 -0.904 4.078 295 1HB TRP 36 HB2 TRP 36 -6.857 -2.847 1.994 296 2HB TRP 36 HB3 TRP 36 -5.137 -2.719 2.319 297 HD1 TRP 36 HD1 TRP 36 -7.984 -4.664 3.378 298 HE1 TRP 36 HE1 TRP 36 -7.626 -5.704 5.705 299 HE3 TRP 36 HE3 TRP 36 -3.987 -1.872 4.902 300 HZ2 TRP 36 HZ2 TRP 36 -5.878 -5.380 7.899 301 HZ3 TRP 36 HZ3 TRP 36 -3.030 -2.298 7.125 302 HH2 TRP 36 HH2 TRP 36 -3.959 -4.013 8.592 303 H THR 37 H THR 37 -5.317 1.168 3.663 304 HA THR 37 HA THR 37 -3.406 1.201 1.418 305 HB THR 37 HB THR 37 -5.344 2.716 0.995 306 HG1 THR 37 HG1 THR 37 -4.013 4.426 0.361 307 1HG2 THR 37 1HG2 THR 37 -4.266 4.140 3.437 308 2HG2 THR 37 3HG2 THR 37 -5.457 4.812 2.322 309 3HG2 THR 37 2HG2 THR 37 -5.849 3.379 3.273 310 H ARG 38 H ARG 38 -2.022 3.536 2.060 311 HA ARG 38 HA ARG 38 -0.636 2.632 4.434 312 1HB ARG 38 HB2 ARG 38 0.055 4.303 2.119 313 2HB ARG 38 HB3 ARG 38 0.735 4.858 3.638 314 1HG ARG 38 HG2 ARG 38 1.868 2.829 3.989 315 2HG ARG 38 HG3 ARG 38 0.997 2.039 2.675 316 1HD ARG 38 HD2 ARG 38 3.419 2.883 2.318 317 2HD ARG 38 HD3 ARG 38 2.243 3.077 1.044 318 HE ARG 38 HE ARG 38 2.031 5.422 1.883 319 1HH1 ARG 38 1HH1 ARG 38 4.891 3.554 2.569 320 2HH1 ARG 38 2HH1 ARG 38 5.934 4.935 2.656 321 1HH2 ARG 38 1HH2 ARG 38 3.411 7.251 1.982 322 2HH2 ARG 38 2HH2 ARG 38 5.093 7.030 2.326 323 H VAL 39 H VAL 39 -0.522 3.617 6.354 324 HA VAL 39 HA VAL 39 -2.557 5.146 7.354 325 HB VAL 39 HB VAL 39 0.286 5.203 8.373 326 1HG1 VAL 39 3HG1 VAL 39 -2.345 5.674 9.770 327 2HG1 VAL 39 2HG1 VAL 39 -0.769 5.599 10.557 328 3HG1 VAL 39 1HG1 VAL 39 -1.119 6.888 9.406 329 1HG2 VAL 39 3HG2 VAL 39 -0.711 2.906 7.981 330 2HG2 VAL 39 2HG2 VAL 39 -0.158 3.251 9.620 331 3HG2 VAL 39 1HG2 VAL 39 -1.881 3.306 9.239 332 H GLY 40 H GLY 40 -2.804 7.314 7.974 333 1HA GLY 40 HA3 GLY 40 -0.967 9.376 7.404 334 2HA GLY 40 HA2 GLY 40 -2.681 9.591 7.729 335 H PHE 41 H PHE 41 -2.569 7.495 5.240 336 HA PHE 41 HA PHE 41 -2.742 9.655 3.251 337 1HB PHE 41 HB2 PHE 41 -1.590 6.887 2.839 338 2HB PHE 41 HB3 PHE 41 -1.770 8.116 1.589 339 HD1 PHE 41 HD1 PHE 41 0.714 6.617 3.070 340 HD2 PHE 41 HD2 PHE 41 -0.956 10.527 3.037 341 HE1 PHE 41 HE1 PHE 41 2.902 7.553 3.698 342 HE2 PHE 41 HE2 PHE 41 1.233 11.474 3.650 343 HZ PHE 41 HZ PHE 41 3.165 9.984 3.986 344 H VAL 42 H VAL 42 -4.794 8.484 4.843 345 HA VAL 42 HA VAL 42 -6.305 6.540 3.513 346 HB VAL 42 HB VAL 42 -6.888 7.005 5.753 347 1HG1 VAL 42 2HG1 VAL 42 -6.009 9.274 5.882 348 2HG1 VAL 42 1HG1 VAL 42 -7.386 9.868 4.954 349 3HG1 VAL 42 3HG1 VAL 42 -7.635 9.180 6.560 350 1HG2 VAL 42 1HG2 VAL 42 -8.793 6.496 4.264 351 2HG2 VAL 42 3HG2 VAL 42 -9.255 7.453 5.672 352 3HG2 VAL 42 2HG2 VAL 42 -9.087 8.226 4.095 353 H GLY 43 H GLY 43 -6.655 6.794 1.366 354 1HA GLY 43 HA3 GLY 43 -8.025 9.273 0.521 355 2HA GLY 43 HA2 GLY 43 -8.521 7.682 -0.037 356 H LYS 44 H LYS 44 -5.145 8.461 0.326 357 HA LYS 44 HA LYS 44 -4.692 9.394 -2.307 358 1HB LYS 44 HB2 LYS 44 -2.810 8.163 -0.291 359 2HB LYS 44 HB3 LYS 44 -2.304 8.931 -1.784 360 1HG LYS 44 HG2 LYS 44 -3.406 11.027 -0.989 361 2HG LYS 44 HG3 LYS 44 -3.659 10.225 0.563 362 1HD LYS 44 HD2 LYS 44 -1.251 9.906 0.800 363 2HD LYS 44 HD3 LYS 44 -0.988 10.681 -0.764 364 1HE LYS 44 HE2 LYS 44 -2.222 11.977 1.662 365 2HE LYS 44 HE3 LYS 44 -0.574 12.224 1.088 366 1HZ LYS 44 HZ3 LYS 44 -3.046 12.906 -0.410 367 2HZ LYS 44 HZ2 LYS 44 -2.032 14.009 0.376 368 3HZ LYS 44 HZ1 LYS 44 -1.464 13.145 -0.961 369 H ASP 45 H ASP 45 -2.842 8.100 -3.576 370 HA ASP 45 HA ASP 45 -3.801 5.337 -3.909 371 1HB ASP 45 HB2 ASP 45 -3.825 7.513 -5.787 372 2HB ASP 45 HB3 ASP 45 -2.774 6.231 -6.379 373 H VAL 46 H VAL 46 -1.114 7.541 -4.673 374 HA VAL 46 HA VAL 46 0.763 5.462 -5.142 375 HB VAL 46 HB VAL 46 1.165 7.604 -6.137 376 1HG1 VAL 46 2HG1 VAL 46 0.019 8.993 -4.496 377 2HG1 VAL 46 1HG1 VAL 46 1.318 8.712 -3.336 378 3HG1 VAL 46 3HG1 VAL 46 1.640 9.608 -4.821 379 1HG2 VAL 46 3HG2 VAL 46 3.146 6.306 -5.541 380 2HG2 VAL 46 2HG2 VAL 46 3.466 8.039 -5.445 381 3HG2 VAL 46 1HG2 VAL 46 3.204 7.107 -3.971 382 H LEU 47 H LEU 47 0.134 7.553 -2.362 383 HA LEU 47 HA LEU 47 0.508 7.300 -0.148 384 1HB LEU 47 HB2 LEU 47 1.647 4.579 -0.571 385 2HB LEU 47 HB3 LEU 47 0.731 5.198 0.782 386 HG LEU 47 HG LEU 47 -0.388 4.545 -1.943 387 1HD1 LEU 47 2HD1 LEU 47 -0.643 3.139 0.712 388 2HD1 LEU 47 1HD1 LEU 47 -1.577 2.749 -0.733 389 3HD1 LEU 47 3HD1 LEU 47 0.176 2.538 -0.730 390 1HD2 LEU 47 3HD2 LEU 47 -1.759 5.502 0.565 391 2HD2 LEU 47 2HD2 LEU 47 -1.578 6.402 -0.942 392 3HD2 LEU 47 1HD2 LEU 47 -2.573 4.946 -0.898 393 H SER 48 H SER 48 3.091 5.465 -1.731 394 HA SER 48 HA SER 48 5.215 6.041 -0.147 395 1HB SER 48 HB2 SER 48 6.606 5.480 -1.989 396 2HB SER 48 HB3 SER 48 5.121 4.562 -2.201 397 HG SER 48 HG SER 48 5.858 6.958 -3.523 398 H ASP 49 H ASP 49 7.190 7.405 -0.850 399 HA ASP 49 HA ASP 49 6.547 9.979 -1.999 400 1HB ASP 49 HB2 ASP 49 7.197 9.669 0.928 401 2HB ASP 49 HB3 ASP 49 7.451 11.182 0.062 402 H GLU 50 H GLU 50 9.052 9.313 0.379 403 HA GLU 50 HA GLU 50 11.061 9.296 -1.768 404 1HB GLU 50 HB2 GLU 50 12.473 10.757 -0.437 405 2HB GLU 50 HB3 GLU 50 10.912 11.517 -0.721 406 1HG GLU 50 HG2 GLU 50 10.180 10.921 1.508 407 2HG GLU 50 HG3 GLU 50 11.712 10.102 1.809 408 H ILE 51 H ILE 51 10.141 8.338 1.474 409 HA ILE 51 HA ILE 51 12.533 6.942 2.113 410 HB ILE 51 HB ILE 51 9.778 6.467 3.244 411 1HG1 ILE 51 2HG1 ILE 51 10.453 8.866 3.295 412 2HG1 ILE 51 3HG1 ILE 51 10.270 8.153 4.891 413 1HG2 ILE 51 3HG2 ILE 51 12.544 5.938 4.319 414 2HG2 ILE 51 2HG2 ILE 51 11.059 5.792 5.261 415 3HG2 ILE 51 1HG2 ILE 51 11.326 4.744 3.870 416 1HD1 ILE 51 3HD1 ILE 51 12.886 8.579 3.468 417 2HD1 ILE 51 2HD1 ILE 51 12.227 9.611 4.739 418 3HD1 ILE 51 1HD1 ILE 51 12.675 7.944 5.101 419 H LEU 52 H LEU 52 9.361 5.404 1.925 420 HA LEU 52 HA LEU 52 10.615 3.114 0.584 421 1HB LEU 52 HB2 LEU 52 8.295 3.456 2.411 422 2HB LEU 52 HB3 LEU 52 8.207 2.167 1.228 423 HG LEU 52 HG LEU 52 10.523 2.452 3.122 424 1HD1 LEU 52 1HD1 LEU 52 7.993 0.860 3.495 425 2HD1 LEU 52 3HD1 LEU 52 9.433 0.743 4.505 426 3HD1 LEU 52 2HD1 LEU 52 8.509 2.245 4.457 427 1HD2 LEU 52 1HD2 LEU 52 10.712 1.063 1.027 428 2HD2 LEU 52 3HD2 LEU 52 11.019 0.214 2.541 429 3HD2 LEU 52 2HD2 LEU 52 9.475 0.012 1.714 430 H GLU 53 H GLU 53 10.378 3.038 -1.573 431 HA GLU 53 HA GLU 53 8.388 4.475 -2.988 432 1HB GLU 53 HB2 GLU 53 10.612 2.701 -3.621 433 2HB GLU 53 HB3 GLU 53 9.241 2.455 -4.693 434 1HG GLU 53 HG2 GLU 53 10.023 5.243 -4.195 435 2HG GLU 53 HG3 GLU 53 11.164 4.258 -5.107 436 H VAL 54 H VAL 54 6.626 3.625 -1.562 437 HA VAL 54 HA VAL 54 5.749 0.931 -1.919 438 HB VAL 54 HB VAL 54 4.143 3.231 -0.824 439 1HG1 VAL 54 1HG1 VAL 54 2.891 1.199 -1.384 440 2HG1 VAL 54 3HG1 VAL 54 3.968 0.259 -0.352 441 3HG1 VAL 54 2HG1 VAL 54 2.924 1.492 0.355 442 1HG2 VAL 54 1HG2 VAL 54 6.205 1.490 0.491 443 2HG2 VAL 54 3HG2 VAL 54 6.098 3.250 0.479 444 3HG2 VAL 54 2HG2 VAL 54 4.939 2.302 1.409 445 H VAL 55 H VAL 55 5.577 0.793 -4.212 446 HA VAL 55 HA VAL 55 3.641 2.421 -5.582 447 HB VAL 55 HB VAL 55 4.857 -0.155 -6.560 448 1HG1 VAL 55 3HG1 VAL 55 2.858 0.829 -7.728 449 2HG1 VAL 55 2HG1 VAL 55 3.874 2.211 -8.135 450 3HG1 VAL 55 1HG1 VAL 55 4.289 0.606 -8.736 451 1HG2 VAL 55 3HG2 VAL 55 5.936 2.650 -6.828 452 2HG2 VAL 55 2HG2 VAL 55 6.660 1.337 -5.900 453 3HG2 VAL 55 1HG2 VAL 55 6.572 1.229 -7.658 454 H CYS 56 H CYS 56 1.795 2.079 -4.395 455 HA CYS 56 HA CYS 56 0.706 -0.633 -4.290 456 1HB CYS 56 HB2 CYS 56 0.723 0.531 -2.167 457 2HB CYS 56 HB3 CYS 56 -0.136 1.898 -2.870 458 HG CYS 56 HG CYS 56 -1.703 0.145 -1.121 459 H LYS 57 H LYS 57 -1.199 -1.196 -5.197 460 HA LYS 57 HA LYS 57 -2.635 0.821 -6.762 461 1HB LYS 57 HB2 LYS 57 -2.042 -1.955 -7.762 462 2HB LYS 57 HB3 LYS 57 -2.819 -0.654 -8.646 463 1HG LYS 57 HG2 LYS 57 0.024 -0.539 -7.674 464 2HG LYS 57 HG3 LYS 57 -0.448 -1.083 -9.285 465 1HD LYS 57 HD2 LYS 57 -1.497 1.092 -9.707 466 2HD LYS 57 HD3 LYS 57 -1.013 1.633 -8.098 467 1HE LYS 57 HE2 LYS 57 1.335 1.353 -8.703 468 2HE LYS 57 HE3 LYS 57 0.862 0.786 -10.304 469 1HZ LYS 57 HZ2 LYS 57 -0.147 2.943 -10.727 470 2HZ LYS 57 HZ1 LYS 57 0.316 3.486 -9.193 471 3HZ LYS 57 HZ3 LYS 57 1.493 3.112 -10.349 472 H TYR 58 H TYR 58 -4.527 0.914 -5.821 473 HA TYR 58 HA TYR 58 -5.722 -1.339 -4.487 474 1HB TYR 58 HB2 TYR 58 -5.922 1.078 -3.728 475 2HB TYR 58 HB3 TYR 58 -7.000 1.338 -5.095 476 HD1 TYR 58 HD1 TYR 58 -7.141 1.170 -1.768 477 HD2 TYR 58 HD2 TYR 58 -8.733 -0.966 -5.111 478 HE1 TYR 58 HE1 TYR 58 -9.075 0.447 -0.419 479 HE2 TYR 58 HE2 TYR 58 -10.641 -1.701 -3.756 480 HH TYR 58 HH TYR 58 -11.385 -0.313 -0.750 481 H THR 59 H THR 59 -6.332 -2.920 -5.862 482 HA THR 59 HA THR 59 -7.716 -2.241 -8.341 483 HB THR 59 HB THR 59 -6.902 -4.970 -7.327 484 HG1 THR 59 HG1 THR 59 -5.563 -3.474 -9.331 485 1HG2 THR 59 3HG2 THR 59 -8.665 -5.028 -9.021 486 2HG2 THR 59 2HG2 THR 59 -7.692 -4.009 -10.082 487 3HG2 THR 59 1HG2 THR 59 -7.145 -5.637 -9.678 488 HA PRO 60 HA PRO 60 -11.533 -3.461 -6.281 489 1HB PRO 60 HB2 PRO 60 -12.982 -1.401 -7.160 490 2HB PRO 60 HB3 PRO 60 -11.728 -1.160 -5.941 491 1HG PRO 60 HG2 PRO 60 -11.761 -0.355 -8.771 492 2HG PRO 60 HG3 PRO 60 -10.781 0.272 -7.436 493 1HD PRO 60 HD2 PRO 60 -10.098 -1.731 -9.424 494 2HD PRO 60 HD3 PRO 60 -9.050 -0.921 -8.242 495 H THR 61 H THR 61 -11.559 -5.352 -7.753 496 HA THR 61 HA THR 61 -12.211 -5.396 -10.417 497 HB THR 61 HB THR 61 -13.502 -7.423 -8.648 498 HG1 THR 61 HG1 THR 61 -10.837 -6.720 -8.617 499 1HG2 THR 61 3HG2 THR 61 -11.891 -7.603 -11.193 500 2HG2 THR 61 2HG2 THR 61 -12.662 -8.958 -10.368 501 3HG2 THR 61 1HG2 THR 61 -13.649 -7.675 -11.070 502 HA PRO 62 HA PRO 62 -16.224 -3.556 -10.828 503 1HB PRO 62 HB2 PRO 62 -16.982 -5.069 -13.045 504 2HB PRO 62 HB3 PRO 62 -16.086 -3.549 -13.095 505 1HG PRO 62 HG2 PRO 62 -15.069 -6.355 -13.234 506 2HG PRO 62 HG3 PRO 62 -14.528 -4.919 -14.124 507 1HD PRO 62 HD2 PRO 62 -13.133 -5.868 -12.056 508 2HD PRO 62 HD3 PRO 62 -13.308 -4.117 -12.309 509 H SER 63 H SER 63 -18.413 -4.072 -10.524 510 HA SER 63 HA SER 63 -18.918 -6.345 -8.924 511 1HB SER 63 HB2 SER 63 -20.844 -4.399 -10.212 512 2HB SER 63 HB3 SER 63 -21.239 -5.534 -8.927 513 HG SER 63 HG SER 63 -19.821 -3.156 -8.821 514 H SER 64 H SER 64 -19.201 -8.352 -9.617 515 HA SER 64 HA SER 64 -19.837 -8.921 -12.366 516 1HB SER 64 HB2 SER 64 -19.623 -11.288 -11.686 517 2HB SER 64 HB3 SER 64 -18.235 -10.333 -11.166 518 HG SER 64 HG SER 64 -18.687 -11.174 -9.289 519 H THR 65 H THR 65 -21.569 -8.535 -9.441 520 HA THR 65 HA THR 65 -23.850 -10.116 -10.222 521 HB THR 65 HB THR 65 -24.927 -9.165 -8.211 522 HG1 THR 65 HG1 THR 65 -23.721 -7.742 -6.904 523 1HG2 THR 65 1HG2 THR 65 -22.112 -10.159 -7.748 524 2HG2 THR 65 3HG2 THR 65 -23.409 -10.150 -6.552 525 3HG2 THR 65 2HG2 THR 65 -23.543 -11.164 -7.989 526 HA PRO 66 HA PRO 66 -26.051 -6.977 -12.418 527 1HB PRO 66 HB2 PRO 66 -28.612 -7.631 -11.965 528 2HB PRO 66 HB3 PRO 66 -27.545 -8.691 -12.899 529 1HG PRO 66 HG2 PRO 66 -28.285 -8.845 -9.990 530 2HG PRO 66 HG3 PRO 66 -28.304 -10.139 -11.206 531 1HD PRO 66 HD2 PRO 66 -26.259 -9.818 -9.469 532 2HD PRO 66 HD3 PRO 66 -26.004 -10.404 -11.126 533 H MET 67 H MET 67 -25.609 -6.777 -9.298 534 HA MET 67 HA MET 67 -27.357 -4.432 -8.975 535 1HB MET 67 HB2 MET 67 -26.501 -6.363 -6.815 536 2HB MET 67 HB3 MET 67 -27.450 -4.905 -6.561 537 1HG MET 67 HG2 MET 67 -29.238 -5.825 -7.947 538 2HG MET 67 HG3 MET 67 -28.286 -7.287 -8.200 539 1HE MET 67 HE1 MET 67 -31.282 -7.320 -7.132 540 2HE MET 67 HE3 MET 67 -30.322 -8.780 -7.370 541 3HE MET 67 HE2 MET 67 -31.163 -8.518 -5.843 542 H VAL 68 H VAL 68 -25.228 -5.166 -6.411 543 HA VAL 68 HA VAL 68 -23.113 -3.427 -7.432 544 HB VAL 68 HB VAL 68 -24.576 -2.896 -4.839 545 1HG1 VAL 68 2HG1 VAL 68 -22.161 -1.535 -6.028 546 2HG1 VAL 68 1HG1 VAL 68 -23.051 -0.976 -4.611 547 3HG1 VAL 68 3HG1 VAL 68 -22.198 -2.519 -4.565 548 1HG2 VAL 68 2HG2 VAL 68 -25.797 -2.095 -6.787 549 2HG2 VAL 68 1HG2 VAL 68 -25.149 -0.744 -5.857 550 3HG2 VAL 68 3HG2 VAL 68 -24.360 -1.244 -7.353 551 H GLY 69 H GLY 69 -21.102 -3.820 -6.555 552 1HA GLY 69 HA3 GLY 69 -20.851 -6.316 -5.092 553 2HA GLY 69 HA2 GLY 69 -20.288 -4.889 -4.235 554 H VAL 70 H VAL 70 -18.471 -3.751 -5.029 555 HA VAL 70 HA VAL 70 -17.042 -4.380 -7.343 556 HB VAL 70 HB VAL 70 -15.951 -3.279 -4.755 557 1HG1 VAL 70 3HG1 VAL 70 -14.194 -4.106 -6.247 558 2HG1 VAL 70 2HG1 VAL 70 -14.839 -3.116 -7.557 559 3HG1 VAL 70 1HG1 VAL 70 -14.159 -2.348 -6.123 560 1HG2 VAL 70 2HG2 VAL 70 -17.029 -1.857 -7.187 561 2HG2 VAL 70 1HG2 VAL 70 -17.794 -1.936 -5.599 562 3HG2 VAL 70 3HG2 VAL 70 -16.265 -1.082 -5.800 563 H GLY 71 H GLY 71 -15.399 -4.866 -4.324 564 1HA GLY 71 HA3 GLY 71 -15.212 -7.732 -4.634 565 2HA GLY 71 HA2 GLY 71 -14.461 -6.770 -3.372 566 H GLY 72 H GLY 72 -12.369 -6.136 -3.577 567 1HA GLY 72 HA3 GLY 72 -10.708 -5.651 -5.565 568 2HA GLY 72 HA2 GLY 72 -10.874 -7.391 -5.755 569 H ILE 73 H ILE 73 -8.480 -5.804 -5.065 570 HA ILE 73 HA ILE 73 -8.001 -6.603 -2.303 571 HB ILE 73 HB ILE 73 -5.841 -7.612 -2.874 572 1HG1 ILE 73 2HG1 ILE 73 -6.703 -7.921 -5.712 573 2HG1 ILE 73 3HG1 ILE 73 -5.857 -6.457 -5.211 574 1HG2 ILE 73 1HG2 ILE 73 -7.867 -8.966 -2.483 575 2HG2 ILE 73 3HG2 ILE 73 -8.092 -9.049 -4.232 576 3HG2 ILE 73 2HG2 ILE 73 -6.651 -9.752 -3.490 577 1HD1 ILE 73 1HD1 ILE 73 -4.017 -7.839 -4.354 578 2HD1 ILE 73 3HD1 ILE 73 -4.855 -9.281 -4.929 579 3HD1 ILE 73 2HD1 ILE 73 -4.289 -8.072 -6.084 580 H TYR 74 H TYR 74 -5.321 -6.159 -2.167 581 HA TYR 74 HA TYR 74 -4.928 -3.408 -3.103 582 1HB TYR 74 HB2 TYR 74 -4.092 -4.205 -0.333 583 2HB TYR 74 HB3 TYR 74 -4.433 -2.598 -0.972 584 HD1 TYR 74 HD1 TYR 74 -5.924 -5.681 0.370 585 HD2 TYR 74 HD2 TYR 74 -6.705 -1.749 -1.048 586 HE1 TYR 74 HE1 TYR 74 -8.190 -5.808 1.288 587 HE2 TYR 74 HE2 TYR 74 -8.981 -1.876 -0.118 588 HH TYR 74 HH TYR 74 -9.963 -4.288 2.040 589 H VAL 75 H VAL 75 -3.347 -3.920 -4.573 590 HA VAL 75 HA VAL 75 -1.184 -5.701 -3.881 591 HB VAL 75 HB VAL 75 -1.693 -4.061 -6.366 592 1HG1 VAL 75 3HG1 VAL 75 0.486 -6.073 -5.809 593 2HG1 VAL 75 2HG1 VAL 75 0.122 -5.380 -7.390 594 3HG1 VAL 75 1HG1 VAL 75 0.696 -4.343 -6.084 595 1HG2 VAL 75 2HG2 VAL 75 -3.255 -5.910 -6.019 596 2HG2 VAL 75 1HG2 VAL 75 -2.196 -6.214 -7.396 597 3HG2 VAL 75 3HG2 VAL 75 -1.899 -7.026 -5.859 598 H VAL 76 H VAL 76 0.204 -4.877 -2.433 599 HA VAL 76 HA VAL 76 1.160 -2.125 -2.821 600 HB VAL 76 HB VAL 76 1.489 -3.877 -0.385 601 1HG1 VAL 76 1HG1 VAL 76 2.063 -0.967 -0.910 602 2HG1 VAL 76 3HG1 VAL 76 2.010 -1.679 0.701 603 3HG1 VAL 76 2HG1 VAL 76 3.211 -2.230 -0.467 604 1HG2 VAL 76 2HG2 VAL 76 -0.867 -3.369 -0.790 605 2HG2 VAL 76 1HG2 VAL 76 -0.265 -2.517 0.632 606 3HG2 VAL 76 3HG2 VAL 76 -0.484 -1.651 -0.888 607 H LEU 77 H LEU 77 3.108 -1.786 -3.632 608 HA LEU 77 HA LEU 77 5.130 -3.922 -3.453 609 1HB LEU 77 HB2 LEU 77 4.777 -1.730 -5.499 610 2HB LEU 77 HB3 LEU 77 6.193 -2.760 -5.414 611 HG LEU 77 HG LEU 77 3.360 -3.680 -5.955 612 1HD1 LEU 77 3HD1 LEU 77 4.329 -2.443 -7.820 613 2HD1 LEU 77 2HD1 LEU 77 5.753 -3.482 -7.778 614 3HD1 LEU 77 1HD1 LEU 77 4.180 -4.158 -8.202 615 1HD2 LEU 77 3HD2 LEU 77 5.057 -5.216 -4.709 616 2HD2 LEU 77 2HD2 LEU 77 4.115 -5.853 -6.058 617 3HD2 LEU 77 1HD2 LEU 77 5.793 -5.371 -6.305 618 H VAL 78 H VAL 78 6.345 -3.434 -1.708 619 HA VAL 78 HA VAL 78 7.003 -0.625 -1.215 620 HB VAL 78 HB VAL 78 8.131 -2.461 0.712 621 1HG1 VAL 78 2HG1 VAL 78 7.781 -0.062 1.079 622 2HG1 VAL 78 1HG1 VAL 78 6.034 -0.290 0.933 623 3HG1 VAL 78 3HG1 VAL 78 6.915 -1.022 2.277 624 1HG2 VAL 78 2HG2 VAL 78 6.278 -3.906 0.038 625 2HG2 VAL 78 1HG2 VAL 78 6.048 -3.285 1.671 626 3HG2 VAL 78 3HG2 VAL 78 5.145 -2.588 0.327 627 H LYS 79 H LYS 79 8.723 0.114 -2.220 628 HA LYS 79 HA LYS 79 11.098 -1.615 -2.454 629 1HB LYS 79 HB2 LYS 79 9.932 0.457 -4.274 630 2HB LYS 79 HB3 LYS 79 11.659 0.140 -4.319 631 1HG LYS 79 HG2 LYS 79 11.195 -2.227 -4.782 632 2HG LYS 79 HG3 LYS 79 9.458 -1.867 -4.804 633 1HD LYS 79 HD2 LYS 79 11.507 -0.601 -6.628 634 2HD LYS 79 HD3 LYS 79 10.480 -1.966 -7.067 635 1HE LYS 79 HE2 LYS 79 8.490 -0.591 -6.686 636 2HE LYS 79 HE3 LYS 79 9.519 0.775 -6.253 637 1HZ LYS 79 HZ3 LYS 79 9.460 -0.573 -8.900 638 2HZ LYS 79 HZ2 LYS 79 8.768 0.928 -8.540 639 3HZ LYS 79 HZ1 LYS 79 10.448 0.736 -8.484 640 HA PRO 80 HA PRO 80 12.429 1.462 0.677 641 1HB PRO 80 HB2 PRO 80 14.915 0.150 0.862 642 2HB PRO 80 HB3 PRO 80 13.545 -0.014 1.961 643 1HG PRO 80 HG2 PRO 80 14.419 -1.779 -0.249 644 2HG PRO 80 HG3 PRO 80 13.559 -2.185 1.246 645 1HD PRO 80 HD2 PRO 80 12.330 -2.131 -1.159 646 2HD PRO 80 HD3 PRO 80 11.496 -1.695 0.348 647 H ARG 81 H ARG 81 12.822 3.310 -0.376 648 HA ARG 81 HA ARG 81 14.622 3.527 -2.582 649 1HB ARG 81 HB2 ARG 81 12.738 5.238 -1.183 650 2HB ARG 81 HB3 ARG 81 14.210 6.097 -1.607 651 1HG ARG 81 HG2 ARG 81 13.923 5.563 -3.926 652 2HG ARG 81 HG3 ARG 81 12.541 4.526 -3.555 653 1HD ARG 81 HD2 ARG 81 11.262 6.411 -2.792 654 2HD ARG 81 HD3 ARG 81 12.655 7.480 -2.965 655 HE ARG 81 HE ARG 81 11.862 6.166 -5.404 656 1HH1 ARG 81 1HH1 ARG 81 11.417 8.946 -3.350 657 2HH1 ARG 81 2HH1 ARG 81 10.818 9.953 -4.625 658 1HH2 ARG 81 1HH2 ARG 81 11.076 7.486 -7.089 659 2HH2 ARG 81 2HH2 ARG 81 10.624 9.124 -6.750 660 H LYS 82 H LYS 82 14.784 4.247 0.858 661 HA LYS 82 HA LYS 82 17.602 5.038 0.536 662 1HB LYS 82 HB2 LYS 82 15.764 5.647 2.855 663 2HB LYS 82 HB3 LYS 82 17.386 6.275 2.608 664 1HG LYS 82 HG2 LYS 82 16.622 7.470 0.615 665 2HG LYS 82 HG3 LYS 82 14.991 6.844 0.874 666 1HD LYS 82 HD2 LYS 82 14.939 7.970 3.069 667 2HD LYS 82 HD3 LYS 82 16.534 8.649 2.735 668 1HE LYS 82 HE2 LYS 82 14.043 9.120 1.099 669 2HE LYS 82 HE3 LYS 82 14.740 10.252 2.256 670 1HZ LYS 82 HZ1 LYS 82 16.069 9.267 -0.210 671 2HZ LYS 82 HZ3 LYS 82 15.378 10.797 -0.005 672 3HZ LYS 82 HZ2 LYS 82 16.737 10.355 0.900 673 H ARG 83 H ARG 83 18.850 4.614 2.697 674 HA ARG 83 HA ARG 83 18.344 1.811 3.445 675 1HB ARG 83 HB2 ARG 83 20.974 3.286 3.550 676 2HB ARG 83 HB3 ARG 83 20.716 1.564 3.794 677 1HG ARG 83 HG2 ARG 83 20.188 1.228 1.507 678 2HG ARG 83 HG3 ARG 83 20.106 2.965 1.206 679 1HD ARG 83 HD2 ARG 83 22.493 3.163 1.689 680 2HD ARG 83 HD3 ARG 83 22.579 1.427 1.990 681 HE ARG 83 HE ARG 83 21.535 1.744 -0.555 682 1HH1 ARG 83 1HH1 ARG 83 24.490 2.506 1.126 683 2HH1 ARG 83 2HH1 ARG 83 25.479 2.386 -0.291 684 1HH2 ARG 83 1HH2 ARG 83 22.829 1.581 -2.425 685 2HH2 ARG 83 2HH2 ARG 83 24.535 1.860 -2.309 686 H GLY 84 H GLY 84 18.445 1.197 5.589 687 1HA GLY 84 HA3 GLY 84 18.403 3.434 7.516 688 2HA GLY 84 HA2 GLY 84 19.291 1.956 7.861 689 H HIS 85 H HIS 85 16.514 3.552 8.515 690 HA HIS 85 HA HIS 85 15.101 1.043 9.129 691 1HB HIS 85 HB2 HIS 85 15.799 2.336 11.105 692 2HB HIS 85 HB3 HIS 85 14.887 3.720 10.515 693 HD1 HIS 85 HD1 HIS 85 12.430 3.801 11.052 694 HD2 HIS 85 HD2 HIS 85 14.153 0.125 11.940 695 HE1 HIS 85 HE1 HIS 85 10.674 2.524 12.320 696 HE2 HIS 85 HE2 HIS 85 11.771 0.340 12.928 697 H HIS 86 H HIS 86 13.403 0.652 7.934 698 HA HIS 86 HA HIS 86 11.686 2.878 7.075 699 1HB HIS 86 HB2 HIS 86 12.495 0.534 5.338 700 2HB HIS 86 HB3 HIS 86 11.375 1.816 4.887 701 HD1 HIS 86 HD1 HIS 86 14.877 2.012 6.371 702 HD2 HIS 86 HD2 HIS 86 12.696 3.322 3.089 703 HE1 HIS 86 HE1 HIS 86 16.440 3.491 5.072 704 HE2 HIS 86 HE2 HIS 86 15.138 4.165 3.025 705 H THR 87 H THR 87 9.473 2.209 6.555 706 HA THR 87 HA THR 87 8.610 -0.429 7.327 707 HB THR 87 HB THR 87 7.741 1.917 9.024 708 HG1 THR 87 HG1 THR 87 9.197 1.260 10.430 709 1HG2 THR 87 2HG2 THR 87 5.991 0.217 8.610 710 2HG2 THR 87 1HG2 THR 87 7.071 -1.018 9.256 711 3HG2 THR 87 3HG2 THR 87 6.491 0.280 10.300 712 H LEU 88 H LEU 88 6.589 -0.927 6.564 713 HA LEU 88 HA LEU 88 5.342 1.106 4.866 714 1HB LEU 88 HB2 LEU 88 5.876 -0.904 3.694 715 2HB LEU 88 HB3 LEU 88 5.133 -1.892 4.930 716 HG LEU 88 HG LEU 88 2.923 -0.837 4.302 717 1HD1 LEU 88 3HD1 LEU 88 3.807 1.138 3.186 718 2HD1 LEU 88 2HD1 LEU 88 4.527 0.120 1.939 719 3HD1 LEU 88 1HD1 LEU 88 2.773 0.204 2.104 720 1HD2 LEU 88 2HD2 LEU 88 3.587 -3.087 3.589 721 2HD2 LEU 88 1HD2 LEU 88 2.607 -2.270 2.372 722 3HD2 LEU 88 3HD2 LEU 88 4.350 -2.397 2.160 723 H GLU 89 H GLU 89 4.161 2.252 6.362 724 HA GLU 89 HA GLU 89 2.470 1.018 8.279 725 1HB GLU 89 HB2 GLU 89 2.628 3.836 7.222 726 2HB GLU 89 HB3 GLU 89 1.551 3.346 8.522 727 1HG GLU 89 HG2 GLU 89 3.420 2.691 9.876 728 2HG GLU 89 HG3 GLU 89 4.543 3.060 8.569 729 H LEU 90 H LEU 90 0.958 -0.326 7.431 730 HA LEU 90 HA LEU 90 -0.951 0.875 5.531 731 1HB LEU 90 HB2 LEU 90 -0.112 -1.988 5.923 732 2HB LEU 90 HB3 LEU 90 -1.612 -1.575 5.121 733 HG LEU 90 HG LEU 90 1.162 -0.805 4.210 734 1HD1 LEU 90 1HD1 LEU 90 -0.858 -2.782 3.172 735 2HD1 LEU 90 3HD1 LEU 90 0.564 -2.256 2.272 736 3HD1 LEU 90 2HD1 LEU 90 0.757 -3.122 3.795 737 1HD2 LEU 90 2HD2 LEU 90 -1.531 -0.223 2.984 738 2HD2 LEU 90 1HD2 LEU 90 -0.409 0.955 3.665 739 3HD2 LEU 90 3HD2 LEU 90 0.027 0.062 2.207 740 H VAL 91 H VAL 91 -2.979 1.168 6.197 741 HA VAL 91 HA VAL 91 -3.886 -0.257 8.604 742 HB VAL 91 HB VAL 91 -3.109 1.972 9.270 743 1HG1 VAL 91 3HG1 VAL 91 -5.126 2.949 7.251 744 2HG1 VAL 91 2HG1 VAL 91 -4.365 3.973 8.473 745 3HG1 VAL 91 1HG1 VAL 91 -3.378 3.199 7.232 746 1HG2 VAL 91 3HG2 VAL 91 -4.961 0.977 10.493 747 2HG2 VAL 91 2HG2 VAL 91 -5.140 2.730 10.409 748 3HG2 VAL 91 1HG2 VAL 91 -6.111 1.694 9.363 749 H TYR 92 H TYR 92 -6.191 -0.295 8.885 750 HA TYR 92 HA TYR 92 -7.655 -0.293 6.352 751 1HB TYR 92 HB2 TYR 92 -7.538 -2.239 8.146 752 2HB TYR 92 HB3 TYR 92 -8.803 -1.302 8.930 753 HD1 TYR 92 HD1 TYR 92 -10.572 -2.858 8.712 754 HD2 TYR 92 HD2 TYR 92 -8.396 -1.643 5.264 755 HE1 TYR 92 HE1 TYR 92 -12.251 -3.940 7.279 756 HE2 TYR 92 HE2 TYR 92 -10.072 -2.719 3.821 757 HH TYR 92 HH TYR 92 -13.082 -3.784 4.976 758 H THR 93 H THR 93 -7.874 2.009 6.247 759 HA THR 93 HA THR 93 -9.471 3.282 8.362 760 HB THR 93 HB THR 93 -7.476 4.493 7.900 761 HG1 THR 93 HG1 THR 93 -9.557 5.689 7.990 762 1HG2 THR 93 1HG2 THR 93 -7.015 3.497 5.690 763 2HG2 THR 93 3HG2 THR 93 -8.285 4.502 4.989 764 3HG2 THR 93 2HG2 THR 93 -6.845 5.251 5.680 765 H ARG 94 H ARG 94 -10.858 5.185 7.421 766 HA ARG 94 HA ARG 94 -12.566 4.046 5.310 767 1HB ARG 94 HB2 ARG 94 -13.301 6.043 7.457 768 2HB ARG 94 HB3 ARG 94 -14.398 5.342 6.276 769 1HG ARG 94 HG2 ARG 94 -14.004 3.123 7.245 770 2HG ARG 94 HG3 ARG 94 -12.948 3.855 8.455 771 1HD ARG 94 HD2 ARG 94 -15.159 3.487 9.382 772 2HD ARG 94 HD3 ARG 94 -14.828 5.214 9.255 773 HE ARG 94 HE ARG 94 -16.138 4.566 6.937 774 1HH1 ARG 94 1HH1 ARG 94 -16.821 4.315 10.345 775 2HH1 ARG 94 2HH1 ARG 94 -18.534 4.477 10.144 776 1HH2 ARG 94 1HH2 ARG 94 -18.392 4.781 6.665 777 2HH2 ARG 94 2HH2 ARG 94 -19.426 4.741 8.053 778 HA PRO 95 HA PRO 95 -10.592 7.552 3.059 779 1HB PRO 95 HB2 PRO 95 -12.300 6.219 1.002 780 2HB PRO 95 HB3 PRO 95 -10.650 6.837 0.863 781 1HG PRO 95 HG2 PRO 95 -11.068 4.230 1.096 782 2HG PRO 95 HG3 PRO 95 -9.736 5.002 1.979 783 1HD PRO 95 HD2 PRO 95 -12.384 4.060 2.989 784 2HD PRO 95 HD3 PRO 95 -10.793 4.013 3.774 785 H PHE 96 H PHE 96 -13.943 6.525 3.244 786 HA PHE 96 HA PHE 96 -15.002 8.965 2.195 787 1HB PHE 96 HB2 PHE 96 -16.268 6.612 3.600 788 2HB PHE 96 HB3 PHE 96 -17.164 7.951 2.909 789 HD1 PHE 96 HD1 PHE 96 -14.923 5.142 2.100 790 HD2 PHE 96 HD2 PHE 96 -17.647 8.048 0.603 791 HE1 PHE 96 HE1 PHE 96 -14.940 3.997 -0.077 792 HE2 PHE 96 HE2 PHE 96 -17.670 6.908 -1.578 793 HZ PHE 96 HZ PHE 96 -16.316 4.879 -1.921 794 H GLU 97 H GLU 97 -14.284 7.650 5.363 795 HA GLU 97 HA GLU 97 -15.402 10.086 6.592 796 1HB GLU 97 HB2 GLU 97 -14.861 7.448 7.964 797 2HB GLU 97 HB3 GLU 97 -15.694 8.841 8.639 798 1HG GLU 97 HG2 GLU 97 -16.663 7.151 6.346 799 2HG GLU 97 HG3 GLU 97 -17.248 7.080 8.007 800 H GLY 98 H GLY 98 -13.082 7.685 7.783 801 1HA GLY 98 HA3 GLY 98 -11.454 9.631 9.044 802 2HA GLY 98 HA2 GLY 98 -10.720 9.142 7.523 803 H ILE 99 H ILE 99 -9.260 8.672 9.627 804 HA ILE 99 HA ILE 99 -9.297 5.765 9.791 805 HB ILE 99 HB ILE 99 -7.143 7.514 10.912 806 1HG1 ILE 99 2HG1 ILE 99 -7.122 6.559 8.063 807 2HG1 ILE 99 3HG1 ILE 99 -7.826 8.121 8.483 808 1HG2 ILE 99 3HG2 ILE 99 -7.300 4.719 9.805 809 2HG2 ILE 99 2HG2 ILE 99 -5.769 5.534 10.134 810 3HG2 ILE 99 1HG2 ILE 99 -6.900 5.217 11.450 811 1HD1 ILE 99 3HD1 ILE 99 -4.988 7.256 9.004 812 2HD1 ILE 99 2HD1 ILE 99 -5.528 8.344 7.725 813 3HD1 ILE 99 1HD1 ILE 99 -5.685 8.822 9.416 814 H LYS 100 H LYS 100 -9.131 4.636 11.756 815 HA LYS 100 HA LYS 100 -9.675 6.150 14.209 816 1HB LYS 100 HB2 LYS 100 -11.236 3.740 14.201 817 2HB LYS 100 HB3 LYS 100 -11.766 5.397 14.427 818 1HG LYS 100 HG2 LYS 100 -11.766 5.635 11.924 819 2HG LYS 100 HG3 LYS 100 -11.503 3.893 11.836 820 1HD LYS 100 HD2 LYS 100 -13.786 3.961 11.690 821 2HD LYS 100 HD3 LYS 100 -13.592 3.834 13.440 822 1HE LYS 100 HE2 LYS 100 -13.748 6.302 13.592 823 2HE LYS 100 HE3 LYS 100 -14.064 6.358 11.857 824 1HZ LYS 100 HZ3 LYS 100 -15.751 4.972 13.871 825 2HZ LYS 100 HZ2 LYS 100 -16.110 6.452 13.135 826 3HZ LYS 100 HZ1 LYS 100 -16.053 5.039 12.208 827 HA PRO 101 HA PRO 101 -7.042 3.187 16.136 828 1HB PRO 101 HB2 PRO 101 -8.081 2.893 18.597 829 2HB PRO 101 HB3 PRO 101 -7.371 4.415 18.057 830 1HG PRO 101 HG2 PRO 101 -10.243 3.638 18.270 831 2HG PRO 101 HG3 PRO 101 -9.470 5.184 18.653 832 1HD PRO 101 HD2 PRO 101 -10.843 4.654 16.333 833 2HD PRO 101 HD3 PRO 101 -9.611 5.913 16.500 834 H GLU 102 H GLU 102 -10.447 2.410 16.153 835 HA GLU 102 HA GLU 102 -10.081 -0.346 16.875 836 1HB GLU 102 HB2 GLU 102 -12.481 -0.560 16.315 837 2HB GLU 102 HB3 GLU 102 -12.155 0.747 17.449 838 1HG GLU 102 HG2 GLU 102 -12.271 2.356 15.645 839 2HG GLU 102 HG3 GLU 102 -12.562 1.058 14.493 840 H ASN 103 H ASN 103 -8.963 1.080 14.331 841 HA ASN 103 HA ASN 103 -10.004 -0.687 12.261 842 1HB ASN 103 HB2 ASN 103 -8.128 1.672 12.216 843 2HB ASN 103 HB3 ASN 103 -8.459 0.692 10.792 844 1HD2 ASN 103 1HD2 ASN 103 -10.998 1.115 13.070 845 2HD2 ASN 103 2HD2 ASN 103 -11.922 2.253 12.157 846 H GLU 104 H GLU 104 -8.689 -2.082 11.031 847 HA GLU 104 HA GLU 104 -6.795 -3.549 12.469 848 1HB GLU 104 HB2 GLU 104 -8.013 -3.601 9.828 849 2HB GLU 104 HB3 GLU 104 -6.351 -4.161 9.819 850 1HG GLU 104 HG2 GLU 104 -7.641 -6.076 10.168 851 2HG GLU 104 HG3 GLU 104 -7.001 -5.659 11.755 852 H ARG 105 H ARG 105 -4.570 -4.010 11.726 853 HA ARG 105 HA ARG 105 -3.200 -1.623 10.677 854 1HB ARG 105 HB2 ARG 105 -3.013 -1.706 13.147 855 2HB ARG 105 HB3 ARG 105 -2.313 -3.309 13.029 856 1HG ARG 105 HG2 ARG 105 -0.399 -2.108 13.243 857 2HG ARG 105 HG3 ARG 105 -0.581 -2.040 11.487 858 1HD ARG 105 HD2 ARG 105 -0.100 0.167 12.305 859 2HD ARG 105 HD3 ARG 105 -1.762 0.112 11.714 860 HE ARG 105 HE ARG 105 -1.841 -0.450 14.428 861 1HH1 ARG 105 1HH1 ARG 105 -0.937 2.205 12.358 862 2HH1 ARG 105 2HH1 ARG 105 -1.336 3.420 13.526 863 1HH2 ARG 105 1HH2 ARG 105 -2.368 1.147 15.973 864 2HH2 ARG 105 2HH2 ARG 105 -2.148 2.819 15.580 865 H TYR 106 H TYR 106 -1.003 -2.099 9.891 866 HA TYR 106 HA TYR 106 0.011 -4.698 9.581 867 1HB TYR 106 HB2 TYR 106 -1.895 -4.938 8.030 868 2HB TYR 106 HB3 TYR 106 -1.287 -3.576 7.088 869 HD1 TYR 106 HD1 TYR 106 -0.631 -7.062 8.099 870 HD2 TYR 106 HD2 TYR 106 0.507 -3.866 5.532 871 HE1 TYR 106 HE1 TYR 106 0.739 -8.618 6.779 872 HE2 TYR 106 HE2 TYR 106 1.881 -5.414 4.203 873 HH TYR 106 HH TYR 106 1.665 -8.784 4.505 874 H THR 107 H THR 107 1.651 -3.303 10.451 875 HA THR 107 HA THR 107 2.879 -1.420 8.589 876 HB THR 107 HB THR 107 4.324 -1.717 11.061 877 HG1 THR 107 HG1 THR 107 1.563 -1.071 11.351 878 1HG2 THR 107 2HG2 THR 107 4.261 0.267 9.549 879 2HG2 THR 107 1HG2 THR 107 2.608 0.564 10.084 880 3HG2 THR 107 3HG2 THR 107 3.937 0.649 11.240 881 H LEU 108 H LEU 108 3.798 -2.878 7.076 882 HA LEU 108 HA LEU 108 5.461 -5.038 7.862 883 1HB LEU 108 HB2 LEU 108 4.498 -5.091 5.680 884 2HB LEU 108 HB3 LEU 108 5.201 -3.548 5.259 885 HG LEU 108 HG LEU 108 7.419 -4.508 5.191 886 1HD1 LEU 108 1HD1 LEU 108 7.190 -6.111 7.010 887 2HD1 LEU 108 3HD1 LEU 108 6.106 -7.092 6.023 888 3HD1 LEU 108 2HD1 LEU 108 7.794 -6.896 5.550 889 1HD2 LEU 108 3HD2 LEU 108 6.024 -4.672 3.183 890 2HD2 LEU 108 2HD2 LEU 108 7.163 -6.013 3.309 891 3HD2 LEU 108 1HD2 LEU 108 5.464 -6.258 3.713 892 H HIS 109 H HIS 109 6.941 -4.311 9.348 893 HA HIS 109 HA HIS 109 8.655 -2.081 8.851 894 1HB HIS 109 HB2 HIS 109 8.520 -4.210 10.931 895 2HB HIS 109 HB3 HIS 109 9.944 -3.184 10.820 896 HD1 HIS 109 HD1 HIS 109 9.750 -0.820 11.710 897 HD2 HIS 109 HD2 HIS 109 6.125 -2.852 11.669 898 HE1 HIS 109 HE1 HIS 109 8.150 0.634 12.995 899 HE2 HIS 109 HE2 HIS 109 5.942 -0.573 12.879 900 H LEU 110 H LEU 110 10.612 -2.011 8.000 901 HA LEU 110 HA LEU 110 12.012 -4.465 7.285 902 1HB LEU 110 HB2 LEU 110 11.235 -2.299 5.336 903 2HB LEU 110 HB3 LEU 110 12.398 -3.557 4.988 904 HG LEU 110 HG LEU 110 9.473 -3.996 5.591 905 1HD1 LEU 110 2HD1 LEU 110 11.042 -4.075 3.020 906 2HD1 LEU 110 1HD1 LEU 110 9.402 -4.700 3.203 907 3HD1 LEU 110 3HD1 LEU 110 9.723 -2.981 3.438 908 1HD2 LEU 110 1HD2 LEU 110 10.914 -5.845 6.341 909 2HD2 LEU 110 3HD2 LEU 110 9.873 -6.305 4.994 910 3HD2 LEU 110 2HD2 LEU 110 11.580 -5.965 4.712 911 H ASN 111 H ASN 111 13.822 -4.093 8.478 912 HA ASN 111 HA ASN 111 15.024 -1.484 8.629 913 1HB ASN 111 HB2 ASN 111 15.134 -3.084 10.521 914 2HB ASN 111 HB3 ASN 111 16.121 -4.158 9.534 915 1HD2 ASN 111 1HD2 ASN 111 18.237 -3.558 9.024 916 2HD2 ASN 111 2HD2 ASN 111 19.079 -2.347 9.922 917 H VAL 112 H VAL 112 15.432 -1.007 6.457 918 HA VAL 112 HA VAL 112 16.739 -2.600 4.601 919 HB VAL 112 HB VAL 112 17.031 0.400 4.785 920 1HG1 VAL 112 1HG1 VAL 112 18.451 -0.660 3.117 921 2HG1 VAL 112 3HG1 VAL 112 17.053 -1.489 2.435 922 3HG1 VAL 112 2HG1 VAL 112 17.167 0.268 2.340 923 1HG2 VAL 112 1HG2 VAL 112 14.677 -0.218 5.027 924 2HG2 VAL 112 3HG2 VAL 112 14.981 0.563 3.476 925 3HG2 VAL 112 2HG2 VAL 112 14.779 -1.187 3.557 926 H LYS 113 H LYS 113 18.662 -3.547 4.809 927 HA LYS 113 HA LYS 113 20.706 -2.487 6.524 928 1HB LYS 113 HB2 LYS 113 20.626 -4.879 4.685 929 2HB LYS 113 HB3 LYS 113 21.993 -4.480 5.709 930 1HG LYS 113 HG2 LYS 113 19.211 -5.060 6.698 931 2HG LYS 113 HG3 LYS 113 20.546 -6.213 6.678 932 1HD LYS 113 HD2 LYS 113 20.569 -3.585 8.160 933 2HD LYS 113 HD3 LYS 113 20.194 -5.147 8.891 934 1HE LYS 113 HE2 LYS 113 22.415 -5.968 8.284 935 2HE LYS 113 HE3 LYS 113 22.791 -4.412 7.546 936 1HZ LYS 113 HZ1 LYS 113 22.537 -3.365 9.711 937 2HZ LYS 113 HZ3 LYS 113 22.182 -4.862 10.418 938 3HZ LYS 113 HZ2 LYS 113 23.717 -4.578 9.766 No H/Q in entry = 938 Start of MODEL 36 1 H1 GLY -2 HT3 GLY -2 -20.637 -17.948 16.854 2 H2 GLY -2 HT2 GLY -2 -19.947 -19.486 17.001 3 H3 GLY -2 HT1 GLY -2 -21.622 -19.293 17.141 4 1HA GLY -2 HA2 GLY -2 -20.636 -19.608 19.316 5 2HA GLY -2 HA3 GLY -2 -21.353 -18.011 19.162 6 H SER -1 H SER -1 -19.016 -19.277 20.727 7 HA SER -1 HA SER -1 -16.832 -17.544 19.857 8 1HB SER -1 HB2 SER -1 -16.568 -16.594 22.121 9 2HB SER -1 HB3 SER -1 -18.120 -16.155 21.408 10 HG SER -1 HG SER -1 -18.362 -18.461 22.752 11 H HIS 0 H HIS 0 -14.971 -18.608 19.952 12 HA HIS 0 HA HIS 0 -14.417 -20.457 22.113 13 1HB HIS 0 HB2 HIS 0 -15.570 -21.886 20.478 14 2HB HIS 0 HB3 HIS 0 -14.426 -21.391 19.234 15 HD1 HIS 0 HD1 HIS 0 -12.292 -22.692 19.061 16 HD2 HIS 0 HD2 HIS 0 -14.369 -23.496 22.569 17 HE1 HIS 0 HE1 HIS 0 -11.086 -24.624 20.128 18 HE2 HIS 0 HE2 HIS 0 -12.309 -25.035 22.292 19 H MET 1 H MET 1 -13.244 -19.474 18.891 20 HA MET 1 HA MET 1 -10.504 -19.480 19.871 21 1HB MET 1 HB2 MET 1 -11.611 -18.888 17.120 22 2HB MET 1 HB3 MET 1 -9.904 -19.008 17.525 23 1HG MET 1 HG2 MET 1 -10.214 -21.348 18.149 24 2HG MET 1 HG3 MET 1 -11.925 -21.228 17.743 25 1HE MET 1 HE1 MET 1 -11.691 -23.343 16.146 26 2HE MET 1 HE3 MET 1 -10.488 -23.468 14.862 27 3HE MET 1 HE2 MET 1 -9.979 -23.461 16.550 28 H ILE 2 H ILE 2 -13.025 -17.246 19.002 29 HA ILE 2 HA ILE 2 -13.129 -14.967 18.866 30 HB ILE 2 HB ILE 2 -13.087 -15.524 21.332 31 1HG1 ILE 2 2HG1 ILE 2 -12.017 -12.792 20.595 32 2HG1 ILE 2 3HG1 ILE 2 -13.690 -13.295 20.377 33 1HG2 ILE 2 1HG2 ILE 2 -10.249 -14.536 21.095 34 2HG2 ILE 2 3HG2 ILE 2 -11.120 -14.765 22.611 35 3HG2 ILE 2 2HG2 ILE 2 -10.770 -16.151 21.579 36 1HD1 ILE 2 2HD1 ILE 2 -13.904 -13.618 22.786 37 2HD1 ILE 2 1HD1 ILE 2 -12.230 -13.104 23.000 38 3HD1 ILE 2 3HD1 ILE 2 -13.430 -11.967 22.385 39 H ALA 3 H ALA 3 -10.866 -16.155 17.415 40 HA ALA 3 HA ALA 3 -8.676 -14.299 17.720 41 1HB ALA 3 HB1 ALA 3 -9.136 -16.405 15.610 42 2HB ALA 3 HB2 ALA 3 -8.244 -16.628 17.115 43 3HB ALA 3 HB3 ALA 3 -7.637 -15.517 15.886 44 HA PRO 4 HA PRO 4 -10.310 -12.751 13.447 45 1HB PRO 4 HB2 PRO 4 -12.834 -13.405 12.724 46 2HB PRO 4 HB3 PRO 4 -11.438 -14.411 12.319 47 1HG PRO 4 HG2 PRO 4 -13.426 -14.728 14.537 48 2HG PRO 4 HG3 PRO 4 -12.752 -15.961 13.454 49 1HD PRO 4 HD2 PRO 4 -11.852 -15.579 15.983 50 2HD PRO 4 HD3 PRO 4 -10.802 -16.140 14.667 51 H LEU 5 H LEU 5 -12.041 -12.861 16.373 52 HA LEU 5 HA LEU 5 -13.691 -10.542 15.788 53 1HB LEU 5 HB2 LEU 5 -14.597 -12.350 17.168 54 2HB LEU 5 HB3 LEU 5 -13.314 -12.114 18.338 55 HG LEU 5 HG LEU 5 -14.195 -9.829 18.781 56 1HD1 LEU 5 2HD1 LEU 5 -16.461 -10.722 17.005 57 2HD1 LEU 5 1HD1 LEU 5 -16.436 -9.257 17.987 58 3HD1 LEU 5 3HD1 LEU 5 -15.302 -9.442 16.648 59 1HD2 LEU 5 3HD2 LEU 5 -16.160 -12.083 19.160 60 2HD2 LEU 5 2HD2 LEU 5 -14.805 -11.692 20.220 61 3HD2 LEU 5 1HD2 LEU 5 -16.150 -10.563 20.054 62 H SER 6 H SER 6 -11.016 -11.391 17.971 63 HA SER 6 HA SER 6 -10.186 -8.586 17.952 64 1HB SER 6 HB2 SER 6 -9.821 -8.611 20.396 65 2HB SER 6 HB3 SER 6 -11.523 -8.831 19.988 66 HG SER 6 HG SER 6 -11.459 -10.825 20.723 67 H VAL 7 H VAL 7 -7.972 -8.261 18.581 68 HA VAL 7 HA VAL 7 -5.749 -8.734 18.588 69 HB VAL 7 HB VAL 7 -6.603 -11.535 19.336 70 1HG1 VAL 7 3HG1 VAL 7 -3.927 -10.160 19.560 71 2HG1 VAL 7 2HG1 VAL 7 -4.317 -11.747 20.222 72 3HG1 VAL 7 1HG1 VAL 7 -4.335 -11.492 18.477 73 1HG2 VAL 7 3HG2 VAL 7 -7.410 -9.883 20.932 74 2HG2 VAL 7 2HG2 VAL 7 -6.109 -10.844 21.636 75 3HG2 VAL 7 1HG2 VAL 7 -5.788 -9.205 21.071 76 H LYS 8 H LYS 8 -4.260 -9.205 17.052 77 HA LYS 8 HA LYS 8 -4.403 -11.365 15.250 78 1HB LYS 8 HB2 LYS 8 -6.286 -10.067 14.324 79 2HB LYS 8 HB3 LYS 8 -5.223 -8.685 14.111 80 1HG LYS 8 HG2 LYS 8 -5.515 -9.791 12.005 81 2HG LYS 8 HG3 LYS 8 -3.853 -10.022 12.553 82 1HD LYS 8 HD2 LYS 8 -4.424 -12.258 13.358 83 2HD LYS 8 HD3 LYS 8 -6.091 -12.027 12.827 84 1HE LYS 8 HE2 LYS 8 -3.653 -12.035 11.052 85 2HE LYS 8 HE3 LYS 8 -4.814 -13.352 11.217 86 1HZ LYS 8 HZ3 LYS 8 -6.535 -11.893 10.348 87 2HZ LYS 8 HZ2 LYS 8 -5.419 -10.632 10.188 88 3HZ LYS 8 HZ1 LYS 8 -5.255 -12.028 9.249 89 H ASP 9 H ASP 9 -2.466 -11.653 14.311 90 HA ASP 9 HA ASP 9 -0.364 -9.784 14.983 91 1HB ASP 9 HB2 ASP 9 -0.088 -12.269 15.193 92 2HB ASP 9 HB3 ASP 9 -0.145 -12.368 13.435 93 H ASN 10 H ASN 10 0.088 -8.125 13.718 94 HA ASN 10 HA ASN 10 -0.149 -8.453 10.810 95 1HB ASN 10 HB2 ASN 10 -0.377 -5.762 11.190 96 2HB ASN 10 HB3 ASN 10 -1.729 -6.867 10.971 97 1HD2 ASN 10 1HD2 ASN 10 0.022 -4.867 13.157 98 2HD2 ASN 10 2HD2 ASN 10 -1.068 -4.993 14.492 99 H ASP 11 H ASP 11 1.075 -5.783 12.696 100 HA ASP 11 HA ASP 11 3.108 -4.862 11.330 101 1HB ASP 11 HB2 ASP 11 3.552 -5.504 14.240 102 2HB ASP 11 HB3 ASP 11 4.159 -4.128 13.326 103 H LYS 12 H LYS 12 4.398 -6.001 10.053 104 HA LYS 12 HA LYS 12 5.752 -8.374 11.046 105 1HB LYS 12 HB2 LYS 12 4.783 -8.600 8.866 106 2HB LYS 12 HB3 LYS 12 5.541 -7.115 8.311 107 1HG LYS 12 HG2 LYS 12 6.914 -8.653 7.354 108 2HG LYS 12 HG3 LYS 12 7.743 -8.397 8.888 109 1HD LYS 12 HD2 LYS 12 5.719 -10.586 8.503 110 2HD LYS 12 HD3 LYS 12 7.428 -10.811 8.132 111 1HE LYS 12 HE2 LYS 12 7.981 -10.185 10.456 112 2HE LYS 12 HE3 LYS 12 6.258 -10.066 10.808 113 1HZ LYS 12 HZ1 LYS 12 7.669 -12.522 9.918 114 2HZ LYS 12 HZ3 LYS 12 7.156 -12.196 11.499 115 3HZ LYS 12 HZ2 LYS 12 6.018 -12.405 10.265 116 H TRP 13 H TRP 13 7.234 -7.490 12.488 117 HA TRP 13 HA TRP 13 9.050 -5.416 11.726 118 1HB TRP 13 HB2 TRP 13 9.411 -7.241 14.084 119 2HB TRP 13 HB3 TRP 13 9.836 -5.544 13.919 120 HD1 TRP 13 HD1 TRP 13 6.761 -7.791 14.441 121 HE1 TRP 13 HE1 TRP 13 4.871 -6.381 15.468 122 HE3 TRP 13 HE3 TRP 13 9.004 -3.195 14.303 123 HZ2 TRP 13 HZ2 TRP 13 4.377 -3.678 16.123 124 HZ3 TRP 13 HZ3 TRP 13 7.759 -1.253 15.159 125 HH2 TRP 13 HH2 TRP 13 5.500 -1.491 16.056 126 H VAL 14 H VAL 14 10.416 -5.926 10.078 127 HA VAL 14 HA VAL 14 12.340 -8.073 10.595 128 HB VAL 14 HB VAL 14 12.102 -9.004 8.306 129 1HG1 VAL 14 3HG1 VAL 14 9.650 -9.224 10.046 130 2HG1 VAL 14 2HG1 VAL 14 10.111 -10.355 8.773 131 3HG1 VAL 14 1HG1 VAL 14 11.129 -10.171 10.202 132 1HG2 VAL 14 2HG2 VAL 14 9.572 -7.365 8.250 133 2HG2 VAL 14 1HG2 VAL 14 10.997 -7.126 7.237 134 3HG2 VAL 14 3HG2 VAL 14 10.026 -8.589 7.064 135 H ASP 15 H ASP 15 13.759 -8.219 8.445 136 HA ASP 15 HA ASP 15 14.816 -5.516 8.063 137 1HB ASP 15 HB2 ASP 15 15.939 -8.263 8.086 138 2HB ASP 15 HB3 ASP 15 16.712 -7.098 7.009 139 H THR 16 H THR 16 16.169 -5.661 5.731 140 HA THR 16 HA THR 16 14.802 -6.908 3.597 141 HB THR 16 HB THR 16 13.157 -5.070 4.443 142 HG1 THR 16 HG1 THR 16 13.382 -4.666 1.755 143 1HG2 THR 16 2HG2 THR 16 14.810 -3.252 4.478 144 2HG2 THR 16 1HG2 THR 16 15.006 -3.411 2.734 145 3HG2 THR 16 3HG2 THR 16 13.460 -2.895 3.403 146 H HIS 17 H HIS 17 15.207 -5.453 1.473 147 HA HIS 17 HA HIS 17 18.042 -4.654 1.551 148 1HB HIS 17 HB2 HIS 17 16.449 -6.118 -0.549 149 2HB HIS 17 HB3 HIS 17 17.985 -5.345 -0.924 150 HD1 HIS 17 HD1 HIS 17 16.525 -8.390 0.507 151 HD2 HIS 17 HD2 HIS 17 20.232 -6.515 0.474 152 HE1 HIS 17 HE1 HIS 17 18.169 -10.137 1.262 153 HE2 HIS 17 HE2 HIS 17 20.391 -8.953 1.321 154 H VAL 18 H VAL 18 18.108 -3.609 -1.095 155 HA VAL 18 HA VAL 18 16.556 -1.159 -0.648 156 HB VAL 18 HB VAL 18 18.869 -1.573 -2.546 157 1HG1 VAL 18 2HG1 VAL 18 17.475 0.928 -1.593 158 2HG1 VAL 18 1HG1 VAL 18 18.932 0.890 -2.586 159 3HG1 VAL 18 3HG1 VAL 18 17.416 0.248 -3.218 160 1HG2 VAL 18 2HG2 VAL 18 19.579 -1.870 -0.231 161 2HG2 VAL 18 1HG2 VAL 18 20.216 -0.367 -0.898 162 3HG2 VAL 18 3HG2 VAL 18 18.838 -0.330 0.202 163 H GLY 19 H GLY 19 14.832 -0.752 -1.799 164 1HA GLY 19 HA3 GLY 19 14.614 -1.062 -4.590 165 2HA GLY 19 HA2 GLY 19 13.294 -0.728 -3.488 166 H LYS 20 H LYS 20 14.381 -3.423 -2.177 167 HA LYS 20 HA LYS 20 13.711 -5.456 -4.002 168 1HB LYS 20 HB2 LYS 20 14.778 -5.434 -1.516 169 2HB LYS 20 HB3 LYS 20 13.149 -5.957 -1.141 170 1HG LYS 20 HG2 LYS 20 14.151 -7.969 -1.470 171 2HG LYS 20 HG3 LYS 20 13.577 -7.637 -3.108 172 1HD LYS 20 HD2 LYS 20 15.720 -6.892 -3.798 173 2HD LYS 20 HD3 LYS 20 16.298 -6.848 -2.137 174 1HE LYS 20 HE2 LYS 20 17.181 -8.791 -3.328 175 2HE LYS 20 HE3 LYS 20 16.128 -9.280 -2.001 176 1HZ LYS 20 HZ2 LYS 20 14.342 -9.620 -3.595 177 2HZ LYS 20 HZ1 LYS 20 15.356 -9.156 -4.866 178 3HZ LYS 20 HZ3 LYS 20 15.686 -10.567 -3.991 179 H THR 21 H THR 21 11.839 -4.715 -5.036 180 HA THR 21 HA THR 21 9.483 -3.827 -4.014 181 HB THR 21 HB THR 21 9.564 -5.837 -6.258 182 HG1 THR 21 HG1 THR 21 9.760 -3.597 -7.406 183 1HG2 THR 21 3HG2 THR 21 7.342 -5.118 -5.527 184 2HG2 THR 21 2HG2 THR 21 7.816 -3.431 -5.724 185 3HG2 THR 21 1HG2 THR 21 7.712 -4.489 -7.133 186 H THR 22 H THR 22 8.656 -4.651 -2.178 187 HA THR 22 HA THR 22 8.255 -7.528 -1.925 188 HB THR 22 HB THR 22 7.745 -5.270 0.026 189 HG1 THR 22 HG1 THR 22 9.511 -6.552 1.113 190 1HG2 THR 22 3HG2 THR 22 7.491 -8.253 0.438 191 2HG2 THR 22 2HG2 THR 22 7.369 -7.027 1.701 192 3HG2 THR 22 1HG2 THR 22 6.163 -7.092 0.416 193 H GLU 23 H GLU 23 6.602 -8.201 -3.103 194 HA GLU 23 HA GLU 23 4.172 -6.679 -3.353 195 1HB GLU 23 HB2 GLU 23 5.131 -7.869 -5.270 196 2HB GLU 23 HB3 GLU 23 4.957 -9.394 -4.412 197 1HG GLU 23 HG2 GLU 23 2.576 -9.225 -4.456 198 2HG GLU 23 HG3 GLU 23 2.669 -7.589 -5.104 199 H ILE 24 H ILE 24 2.343 -7.006 -2.277 200 HA ILE 24 HA ILE 24 1.971 -9.503 -0.790 201 HB ILE 24 HB ILE 24 1.504 -6.777 0.396 202 1HG1 ILE 24 2HG1 ILE 24 3.663 -8.815 0.950 203 2HG1 ILE 24 3HG1 ILE 24 3.891 -7.227 0.231 204 1HG2 ILE 24 3HG2 ILE 24 -0.066 -8.498 1.155 205 2HG2 ILE 24 2HG2 ILE 24 1.292 -9.522 1.625 206 3HG2 ILE 24 1HG2 ILE 24 1.016 -7.989 2.452 207 1HD1 ILE 24 3HD1 ILE 24 3.173 -6.185 2.324 208 2HD1 ILE 24 2HD1 ILE 24 2.989 -7.784 3.045 209 3HD1 ILE 24 1HD1 ILE 24 4.582 -7.222 2.543 210 H HIS 25 H HIS 25 0.242 -10.280 -1.848 211 HA HIS 25 HA HIS 25 -1.905 -8.587 -2.734 212 1HB HIS 25 HB2 HIS 25 -1.994 -11.593 -2.572 213 2HB HIS 25 HB3 HIS 25 -2.857 -10.533 -3.675 214 HD1 HIS 25 HD1 HIS 25 -0.254 -12.850 -3.786 215 HD2 HIS 25 HD2 HIS 25 -0.703 -9.006 -5.296 216 HE1 HIS 25 HE1 HIS 25 1.426 -12.659 -5.647 217 HE2 HIS 25 HE2 HIS 25 1.066 -10.359 -6.610 218 H LEU 26 H LEU 26 -2.883 -7.647 -1.008 219 HA LEU 26 HA LEU 26 -3.686 -9.250 1.285 220 1HB LEU 26 HB2 LEU 26 -4.149 -6.332 0.710 221 2HB LEU 26 HB3 LEU 26 -4.437 -7.136 2.238 222 HG LEU 26 HG LEU 26 -1.696 -6.972 0.997 223 1HD1 LEU 26 3HD1 LEU 26 -2.524 -4.703 1.325 224 2HD1 LEU 26 2HD1 LEU 26 -2.952 -5.091 2.991 225 3HD1 LEU 26 1HD1 LEU 26 -1.260 -5.089 2.492 226 1HD2 LEU 26 2HD2 LEU 26 -2.149 -8.691 2.749 227 2HD2 LEU 26 1HD2 LEU 26 -0.915 -7.512 3.192 228 3HD2 LEU 26 3HD2 LEU 26 -2.542 -7.378 3.861 229 H LYS 27 H LYS 27 -5.802 -9.654 1.862 230 HA LYS 27 HA LYS 27 -7.718 -9.405 -0.332 231 1HB LYS 27 HB2 LYS 27 -8.068 -11.008 2.195 232 2HB LYS 27 HB3 LYS 27 -8.968 -11.157 0.693 233 1HG LYS 27 HG2 LYS 27 -6.823 -11.849 -0.414 234 2HG LYS 27 HG3 LYS 27 -6.104 -11.919 1.197 235 1HD LYS 27 HD2 LYS 27 -7.779 -13.567 1.881 236 2HD LYS 27 HD3 LYS 27 -8.503 -13.498 0.273 237 1HE LYS 27 HE2 LYS 27 -6.408 -14.304 -0.703 238 2HE LYS 27 HE3 LYS 27 -5.688 -14.378 0.904 239 1HZ LYS 27 HZ2 LYS 27 -8.034 -15.953 -0.009 240 2HZ LYS 27 HZ1 LYS 27 -6.462 -16.547 0.178 241 3HZ LYS 27 HZ3 LYS 27 -7.337 -16.027 1.530 242 H GLY 28 H GLY 28 -10.026 -9.022 0.323 243 1HA GLY 28 HA3 GLY 28 -10.186 -6.502 1.624 244 2HA GLY 28 HA2 GLY 28 -10.803 -7.771 2.669 245 H ASN 29 H ASN 29 -12.212 -5.519 1.465 246 HA ASN 29 HA ASN 29 -13.788 -6.311 -0.723 247 1HB ASN 29 HB2 ASN 29 -14.562 -8.028 0.916 248 2HB ASN 29 HB3 ASN 29 -15.134 -6.727 1.954 249 1HD2 ASN 29 1HD2 ASN 29 -17.250 -7.450 1.843 250 2HD2 ASN 29 2HD2 ASN 29 -18.218 -7.253 0.426 251 HA PRO 30 HA PRO 30 -13.940 -1.823 0.206 252 1HB PRO 30 HB2 PRO 30 -14.899 -1.247 -2.336 253 2HB PRO 30 HB3 PRO 30 -13.198 -1.277 -1.867 254 1HG PRO 30 HG2 PRO 30 -14.829 -3.379 -3.224 255 2HG PRO 30 HG3 PRO 30 -13.147 -2.897 -3.517 256 1HD PRO 30 HD2 PRO 30 -13.731 -5.123 -2.156 257 2HD PRO 30 HD3 PRO 30 -12.354 -4.101 -1.695 258 H THR 31 H THR 31 -16.384 -4.066 -0.755 259 HA THR 31 HA THR 31 -18.540 -2.146 -0.639 260 HB THR 31 HB THR 31 -20.028 -4.048 -0.975 261 HG1 THR 31 HG1 THR 31 -18.579 -5.510 0.295 262 1HG2 THR 31 1HG2 THR 31 -18.954 -3.072 -2.940 263 2HG2 THR 31 3HG2 THR 31 -17.589 -4.173 -2.751 264 3HG2 THR 31 2HG2 THR 31 -19.185 -4.807 -3.150 265 H THR 32 H THR 32 -16.674 -3.168 1.722 266 HA THR 32 HA THR 32 -18.798 -3.847 3.622 267 HB THR 32 HB THR 32 -16.979 -4.318 5.221 268 HG1 THR 32 HG1 THR 32 -14.841 -4.449 3.798 269 1HG2 THR 32 3HG2 THR 32 -16.653 -5.675 2.543 270 2HG2 THR 32 2HG2 THR 32 -16.069 -6.301 4.085 271 3HG2 THR 32 1HG2 THR 32 -17.801 -6.122 3.804 272 H GLY 33 H GLY 33 -15.938 -1.698 3.592 273 1HA GLY 33 HA3 GLY 33 -17.104 -0.029 5.639 274 2HA GLY 33 HA2 GLY 33 -17.093 0.709 4.046 275 H TYR 34 H TYR 34 -14.550 -1.470 5.036 276 HA TYR 34 HA TYR 34 -12.790 0.816 5.561 277 1HB TYR 34 HB2 TYR 34 -12.498 -2.112 6.223 278 2HB TYR 34 HB3 TYR 34 -11.216 -0.932 6.463 279 HD1 TYR 34 HD1 TYR 34 -14.583 -1.960 7.552 280 HD2 TYR 34 HD2 TYR 34 -11.246 0.574 8.331 281 HE1 TYR 34 HE1 TYR 34 -15.509 -1.429 9.767 282 HE2 TYR 34 HE2 TYR 34 -12.169 1.106 10.546 283 HH TYR 34 HH TYR 34 -14.713 -0.637 11.953 284 H MET 35 H MET 35 -10.413 0.296 4.928 285 HA MET 35 HA MET 35 -10.157 -1.006 2.350 286 1HB MET 35 HB2 MET 35 -10.570 1.079 1.454 287 2HB MET 35 HB3 MET 35 -9.984 1.920 2.882 288 1HG MET 35 HG2 MET 35 -7.675 1.247 2.228 289 2HG MET 35 HG3 MET 35 -8.345 0.638 0.734 290 1HE MET 35 HE3 MET 35 -10.653 2.668 0.248 291 2HE MET 35 HE2 MET 35 -9.991 4.069 -0.593 292 3HE MET 35 HE1 MET 35 -9.607 2.443 -1.153 293 H TRP 36 H TRP 36 -8.020 -1.560 1.874 294 HA TRP 36 HA TRP 36 -6.227 -1.490 4.177 295 1HB TRP 36 HB2 TRP 36 -6.540 -3.238 1.814 296 2HB TRP 36 HB3 TRP 36 -4.893 -2.958 2.354 297 HD1 TRP 36 HD1 TRP 36 -7.640 -5.276 2.901 298 HE1 TRP 36 HE1 TRP 36 -7.381 -6.552 5.120 299 HE3 TRP 36 HE3 TRP 36 -4.048 -2.374 5.083 300 HZ2 TRP 36 HZ2 TRP 36 -5.857 -6.350 7.486 301 HZ3 TRP 36 HZ3 TRP 36 -3.244 -2.982 7.325 302 HH2 TRP 36 HH2 TRP 36 -4.133 -4.928 8.501 303 H THR 37 H THR 37 -5.760 0.713 3.994 304 HA THR 37 HA THR 37 -3.927 1.412 1.791 305 HB THR 37 HB THR 37 -5.922 2.647 1.396 306 HG1 THR 37 HG1 THR 37 -4.728 4.675 2.855 307 1HG2 THR 37 2HG2 THR 37 -6.827 2.214 3.726 308 2HG2 THR 37 1HG2 THR 37 -5.892 3.609 4.260 309 3HG2 THR 37 3HG2 THR 37 -7.166 3.810 3.058 310 H ARG 38 H ARG 38 -2.098 2.653 2.335 311 HA ARG 38 HA ARG 38 -0.893 2.262 4.788 312 1HB ARG 38 HB2 ARG 38 -0.410 4.426 2.727 313 2HB ARG 38 HB3 ARG 38 0.606 4.180 4.125 314 1HG ARG 38 HG2 ARG 38 1.121 1.909 3.330 315 2HG ARG 38 HG3 ARG 38 0.160 2.232 1.885 316 1HD ARG 38 HD2 ARG 38 2.883 2.943 2.438 317 2HD ARG 38 HD3 ARG 38 1.990 3.098 0.941 318 HE ARG 38 HE ARG 38 1.435 5.313 1.555 319 1HH1 ARG 38 1HH1 ARG 38 3.499 3.724 3.867 320 2HH1 ARG 38 2HH1 ARG 38 3.941 5.189 4.679 321 1HH2 ARG 38 1HH2 ARG 38 2.001 7.253 2.635 322 2HH2 ARG 38 2HH2 ARG 38 3.092 7.192 3.978 323 H VAL 39 H VAL 39 -0.031 4.286 6.095 324 HA VAL 39 HA VAL 39 -2.380 5.429 7.318 325 HB VAL 39 HB VAL 39 0.521 5.879 8.022 326 1HG1 VAL 39 3HG1 VAL 39 -2.012 6.345 9.597 327 2HG1 VAL 39 2HG1 VAL 39 -0.371 6.536 10.214 328 3HG1 VAL 39 1HG1 VAL 39 -0.956 7.589 8.926 329 1HG2 VAL 39 2HG2 VAL 39 -0.321 3.489 8.046 330 2HG2 VAL 39 1HG2 VAL 39 0.365 4.100 9.553 331 3HG2 VAL 39 3HG2 VAL 39 -1.386 3.986 9.363 332 H GLY 40 H GLY 40 -3.281 7.034 6.181 333 1HA GLY 40 HA3 GLY 40 -1.622 9.421 5.752 334 2HA GLY 40 HA2 GLY 40 -3.366 9.412 5.940 335 H PHE 41 H PHE 41 -2.253 6.945 3.844 336 HA PHE 41 HA PHE 41 -2.151 8.580 1.506 337 1HB PHE 41 HB2 PHE 41 -1.108 6.824 0.654 338 2HB PHE 41 HB3 PHE 41 -1.363 5.985 2.159 339 HD1 PHE 41 HD1 PHE 41 -4.027 6.665 -0.387 340 HD2 PHE 41 HD2 PHE 41 -1.412 3.831 1.394 341 HE1 PHE 41 HE1 PHE 41 -5.164 4.864 -1.601 342 HE2 PHE 41 HE2 PHE 41 -2.551 2.019 0.188 343 HZ PHE 41 HZ PHE 41 -4.430 2.533 -1.315 344 H VAL 42 H VAL 42 -4.609 6.490 2.974 345 HA VAL 42 HA VAL 42 -6.567 6.165 1.255 346 HB VAL 42 HB VAL 42 -7.017 5.796 3.576 347 1HG1 VAL 42 1HG1 VAL 42 -5.741 7.683 4.475 348 2HG1 VAL 42 3HG1 VAL 42 -7.013 8.788 3.954 349 3HG1 VAL 42 2HG1 VAL 42 -7.349 7.576 5.190 350 1HG2 VAL 42 2HG2 VAL 42 -8.957 6.212 2.116 351 2HG2 VAL 42 1HG2 VAL 42 -9.261 6.657 3.796 352 3HG2 VAL 42 3HG2 VAL 42 -8.932 7.908 2.597 353 H GLY 43 H GLY 43 -6.472 7.470 -0.579 354 1HA GLY 43 HA3 GLY 43 -7.869 10.025 -0.361 355 2HA GLY 43 HA2 GLY 43 -7.516 9.153 -1.847 356 H LYS 44 H LYS 44 -4.845 8.799 -1.774 357 HA LYS 44 HA LYS 44 -3.650 11.472 -1.448 358 1HB LYS 44 HB2 LYS 44 -1.497 10.156 -1.456 359 2HB LYS 44 HB3 LYS 44 -2.546 9.827 -0.087 360 1HG LYS 44 HG2 LYS 44 -1.787 7.741 -0.760 361 2HG LYS 44 HG3 LYS 44 -3.412 7.858 -1.420 362 1HD LYS 44 HD2 LYS 44 -1.718 8.873 -3.397 363 2HD LYS 44 HD3 LYS 44 -0.924 7.432 -2.777 364 1HE LYS 44 HE2 LYS 44 -2.387 6.877 -4.640 365 2HE LYS 44 HE3 LYS 44 -2.969 6.145 -3.146 366 1HZ LYS 44 HZ3 LYS 44 -4.493 8.118 -2.969 367 2HZ LYS 44 HZ2 LYS 44 -4.068 8.497 -4.562 368 3HZ LYS 44 HZ1 LYS 44 -4.839 7.033 -4.221 369 H ASP 45 H ASP 45 -1.380 11.108 -2.886 370 HA ASP 45 HA ASP 45 -2.240 10.738 -5.669 371 1HB ASP 45 HB2 ASP 45 -0.224 12.596 -4.400 372 2HB ASP 45 HB3 ASP 45 -0.233 12.259 -6.121 373 H VAL 46 H VAL 46 0.101 10.165 -3.183 374 HA VAL 46 HA VAL 46 1.086 7.755 -4.435 375 HB VAL 46 HB VAL 46 2.743 10.216 -4.199 376 1HG1 VAL 46 3HG1 VAL 46 3.809 7.448 -3.645 377 2HG1 VAL 46 2HG1 VAL 46 4.813 8.841 -4.041 378 3HG1 VAL 46 1HG1 VAL 46 3.850 8.841 -2.565 379 1HG2 VAL 46 3HG2 VAL 46 2.030 9.354 -6.360 380 2HG2 VAL 46 2HG2 VAL 46 3.786 9.281 -6.195 381 3HG2 VAL 46 1HG2 VAL 46 2.819 7.815 -6.010 382 H LEU 47 H LEU 47 1.037 6.309 -2.892 383 HA LEU 47 HA LEU 47 0.549 6.775 -0.220 384 1HB LEU 47 HB2 LEU 47 2.222 4.421 -0.893 385 2HB LEU 47 HB3 LEU 47 0.797 4.525 0.116 386 HG LEU 47 HG LEU 47 0.915 4.371 -2.889 387 1HD1 LEU 47 1HD1 LEU 47 -0.261 2.616 -0.733 388 2HD1 LEU 47 3HD1 LEU 47 -0.512 2.377 -2.465 389 3HD1 LEU 47 2HD1 LEU 47 1.109 2.243 -1.783 390 1HD2 LEU 47 2HD2 LEU 47 -1.011 5.750 -1.354 391 2HD2 LEU 47 1HD2 LEU 47 -1.050 5.360 -3.074 392 3HD2 LEU 47 3HD2 LEU 47 -1.750 4.243 -1.904 393 H SER 48 H SER 48 3.645 5.728 -1.573 394 HA SER 48 HA SER 48 5.166 6.234 0.732 395 1HB SER 48 HB2 SER 48 7.097 5.955 -0.767 396 2HB SER 48 HB3 SER 48 5.889 4.707 -1.031 397 HG SER 48 HG SER 48 6.916 6.104 -2.875 398 H ASP 49 H ASP 49 7.387 7.625 -0.154 399 HA ASP 49 HA ASP 49 6.566 10.268 -1.006 400 1HB ASP 49 HB2 ASP 49 7.593 9.714 1.774 401 2HB ASP 49 HB3 ASP 49 7.694 11.307 1.027 402 H GLU 50 H GLU 50 9.349 9.312 0.944 403 HA GLU 50 HA GLU 50 11.072 9.469 -1.416 404 1HB GLU 50 HB2 GLU 50 12.592 10.982 -0.309 405 2HB GLU 50 HB3 GLU 50 10.978 11.682 -0.311 406 1HG GLU 50 HG2 GLU 50 10.653 11.015 1.996 407 2HG GLU 50 HG3 GLU 50 12.251 10.269 2.017 408 H ILE 51 H ILE 51 10.550 8.429 1.882 409 HA ILE 51 HA ILE 51 13.052 7.086 2.194 410 HB ILE 51 HB ILE 51 10.499 6.608 3.724 411 1HG1 ILE 51 2HG1 ILE 51 11.158 9.012 3.649 412 2HG1 ILE 51 3HG1 ILE 51 11.193 8.309 5.260 413 1HG2 ILE 51 3HG2 ILE 51 13.394 6.116 4.396 414 2HG2 ILE 51 2HG2 ILE 51 12.057 5.956 5.535 415 3HG2 ILE 51 1HG2 ILE 51 12.142 4.904 4.123 416 1HD1 ILE 51 1HD1 ILE 51 13.598 8.730 3.503 417 2HD1 ILE 51 3HD1 ILE 51 13.102 9.785 4.826 418 3HD1 ILE 51 2HD1 ILE 51 13.602 8.127 5.161 419 H LEU 52 H LEU 52 10.016 5.425 2.691 420 HA LEU 52 HA LEU 52 11.037 3.184 1.119 421 1HB LEU 52 HB2 LEU 52 9.748 3.344 3.567 422 2HB LEU 52 HB3 LEU 52 8.498 2.775 2.476 423 HG LEU 52 HG LEU 52 11.172 1.479 2.962 424 1HD1 LEU 52 2HD1 LEU 52 9.577 1.180 4.784 425 2HD1 LEU 52 1HD1 LEU 52 8.374 0.588 3.638 426 3HD1 LEU 52 3HD1 LEU 52 9.851 -0.334 3.922 427 1HD2 LEU 52 3HD2 LEU 52 8.933 0.715 1.101 428 2HD2 LEU 52 2HD2 LEU 52 10.574 1.178 0.657 429 3HD2 LEU 52 1HD2 LEU 52 10.288 -0.333 1.520 430 H GLU 53 H GLU 53 10.482 3.252 -0.989 431 HA GLU 53 HA GLU 53 8.250 4.620 -2.015 432 1HB GLU 53 HB2 GLU 53 10.428 3.559 -3.163 433 2HB GLU 53 HB3 GLU 53 9.292 2.262 -3.498 434 1HG GLU 53 HG2 GLU 53 8.730 5.125 -4.193 435 2HG GLU 53 HG3 GLU 53 9.556 4.015 -5.280 436 H VAL 54 H VAL 54 6.238 3.838 -2.755 437 HA VAL 54 HA VAL 54 5.526 1.099 -2.066 438 HB VAL 54 HB VAL 54 3.808 3.350 -1.033 439 1HG1 VAL 54 1HG1 VAL 54 2.684 1.227 -1.466 440 2HG1 VAL 54 3HG1 VAL 54 3.857 0.393 -0.448 441 3HG1 VAL 54 2HG1 VAL 54 2.752 1.570 0.262 442 1HG2 VAL 54 3HG2 VAL 54 5.949 3.421 0.145 443 2HG2 VAL 54 2HG2 VAL 54 4.654 2.861 1.201 444 3HG2 VAL 54 1HG2 VAL 54 5.800 1.705 0.523 445 H VAL 55 H VAL 55 4.121 0.231 -3.424 446 HA VAL 55 HA VAL 55 2.427 1.957 -5.073 447 HB VAL 55 HB VAL 55 4.016 -0.335 -6.211 448 1HG1 VAL 55 1HG1 VAL 55 1.780 0.148 -7.206 449 2HG1 VAL 55 3HG1 VAL 55 2.372 1.755 -7.624 450 3HG1 VAL 55 2HG1 VAL 55 3.127 0.326 -8.332 451 1HG2 VAL 55 1HG2 VAL 55 4.439 2.632 -6.545 452 2HG2 VAL 55 3HG2 VAL 55 5.503 1.517 -5.689 453 3HG2 VAL 55 2HG2 VAL 55 5.293 1.370 -7.433 454 H CYS 56 H CYS 56 0.738 1.269 -3.777 455 HA CYS 56 HA CYS 56 0.117 -1.577 -3.706 456 1HB CYS 56 HB2 CYS 56 -0.100 -0.270 -1.618 457 2HB CYS 56 HB3 CYS 56 -1.324 0.720 -2.403 458 HG CYS 56 HG CYS 56 -2.030 -2.530 -2.528 459 H LYS 57 H LYS 57 -0.614 -2.101 -5.679 460 HA LYS 57 HA LYS 57 -2.468 -0.529 -7.156 461 1HB LYS 57 HB2 LYS 57 -1.948 -3.467 -7.494 462 2HB LYS 57 HB3 LYS 57 -2.520 -2.337 -8.707 463 1HG LYS 57 HG2 LYS 57 -0.352 -1.205 -8.678 464 2HG LYS 57 HG3 LYS 57 0.226 -2.357 -7.472 465 1HD LYS 57 HD2 LYS 57 -0.115 -4.190 -9.054 466 2HD LYS 57 HD3 LYS 57 -0.704 -3.043 -10.260 467 1HE LYS 57 HE2 LYS 57 1.469 -1.915 -10.244 468 2HE LYS 57 HE3 LYS 57 2.056 -3.064 -9.043 469 1HZ LYS 57 HZ3 LYS 57 1.728 -4.847 -10.640 470 2HZ LYS 57 HZ2 LYS 57 1.167 -3.744 -11.794 471 3HZ LYS 57 HZ1 LYS 57 2.772 -3.670 -11.264 472 H TYR 58 H TYR 58 -3.918 -0.255 -5.307 473 HA TYR 58 HA TYR 58 -5.428 -2.378 -4.242 474 1HB TYR 58 HB2 TYR 58 -5.299 -0.217 -3.091 475 2HB TYR 58 HB3 TYR 58 -6.101 0.573 -4.442 476 HD1 TYR 58 HD1 TYR 58 -8.003 -2.184 -4.441 477 HD2 TYR 58 HD2 TYR 58 -7.071 1.012 -1.760 478 HE1 TYR 58 HE1 TYR 58 -10.170 -2.500 -3.367 479 HE2 TYR 58 HE2 TYR 58 -9.263 0.697 -0.680 480 HH TYR 58 HH TYR 58 -11.228 -2.017 -1.194 481 H THR 59 H THR 59 -6.424 -3.706 -5.584 482 HA THR 59 HA THR 59 -8.146 -2.577 -7.687 483 HB THR 59 HB THR 59 -7.459 -5.496 -7.527 484 HG1 THR 59 HG1 THR 59 -5.705 -3.412 -8.028 485 1HG2 THR 59 1HG2 THR 59 -9.118 -4.724 -9.162 486 2HG2 THR 59 3HG2 THR 59 -7.940 -3.595 -9.829 487 3HG2 THR 59 2HG2 THR 59 -7.671 -5.332 -9.966 488 HA PRO 60 HA PRO 60 -11.400 -4.098 -5.035 489 1HB PRO 60 HB2 PRO 60 -13.364 -2.629 -6.088 490 2HB PRO 60 HB3 PRO 60 -12.066 -1.890 -5.151 491 1HG PRO 60 HG2 PRO 60 -12.548 -1.843 -8.068 492 2HG PRO 60 HG3 PRO 60 -11.696 -0.674 -7.050 493 1HD PRO 60 HD2 PRO 60 -10.570 -2.741 -8.671 494 2HD PRO 60 HD3 PRO 60 -9.726 -1.588 -7.620 495 H THR 61 H THR 61 -13.946 -4.486 -5.726 496 HA THR 61 HA THR 61 -13.969 -6.977 -6.993 497 HB THR 61 HB THR 61 -16.437 -5.288 -6.934 498 HG1 THR 61 HG1 THR 61 -15.261 -6.515 -4.643 499 1HG2 THR 61 1HG2 THR 61 -15.883 -8.177 -6.262 500 2HG2 THR 61 3HG2 THR 61 -17.468 -7.403 -6.240 501 3HG2 THR 61 2HG2 THR 61 -16.592 -7.578 -7.761 502 HA PRO 62 HA PRO 62 -13.739 -6.075 -11.326 503 1HB PRO 62 HB2 PRO 62 -15.359 -8.198 -12.136 504 2HB PRO 62 HB3 PRO 62 -13.615 -8.277 -11.872 505 1HG PRO 62 HG2 PRO 62 -15.847 -9.044 -10.036 506 2HG PRO 62 HG3 PRO 62 -14.294 -9.856 -10.315 507 1HD PRO 62 HD2 PRO 62 -14.693 -8.378 -8.136 508 2HD PRO 62 HD3 PRO 62 -13.133 -8.329 -8.989 509 H SER 63 H SER 63 -15.138 -5.559 -13.141 510 HA SER 63 HA SER 63 -17.553 -4.220 -12.267 511 1HB SER 63 HB2 SER 63 -16.245 -4.328 -14.998 512 2HB SER 63 HB3 SER 63 -17.571 -3.263 -14.534 513 HG SER 63 HG SER 63 -16.048 -1.950 -13.949 514 H SER 64 H SER 64 -19.121 -4.319 -14.544 515 HA SER 64 HA SER 64 -20.405 -6.863 -14.204 516 1HB SER 64 HB2 SER 64 -22.086 -5.964 -15.780 517 2HB SER 64 HB3 SER 64 -21.743 -4.833 -14.470 518 HG SER 64 HG SER 64 -20.604 -3.568 -15.847 519 H THR 65 H THR 65 -17.710 -6.337 -15.729 520 HA THR 65 HA THR 65 -17.995 -7.069 -18.397 521 HB THR 65 HB THR 65 -15.661 -7.851 -18.286 522 HG1 THR 65 HG1 THR 65 -15.289 -8.780 -16.380 523 1HG2 THR 65 1HG2 THR 65 -16.099 -5.455 -18.481 524 2HG2 THR 65 3HG2 THR 65 -16.160 -5.315 -16.723 525 3HG2 THR 65 2HG2 THR 65 -14.649 -5.751 -17.521 526 HA PRO 66 HA PRO 66 -19.056 -11.359 -18.327 527 1HB PRO 66 HB2 PRO 66 -17.939 -12.275 -20.586 528 2HB PRO 66 HB3 PRO 66 -19.264 -11.102 -20.628 529 1HG PRO 66 HG2 PRO 66 -16.304 -10.614 -20.823 530 2HG PRO 66 HG3 PRO 66 -17.598 -9.997 -21.872 531 1HD PRO 66 HD2 PRO 66 -16.534 -8.521 -19.877 532 2HD PRO 66 HD3 PRO 66 -18.249 -8.400 -20.325 533 H MET 67 H MET 67 -16.226 -10.368 -17.371 534 HA MET 67 HA MET 67 -15.167 -13.080 -16.982 535 1HB MET 67 HB2 MET 67 -13.819 -11.937 -18.699 536 2HB MET 67 HB3 MET 67 -13.511 -10.620 -17.576 537 1HG MET 67 HG2 MET 67 -12.336 -12.161 -16.089 538 2HG MET 67 HG3 MET 67 -12.644 -13.480 -17.217 539 1HE MET 67 HE2 MET 67 -10.769 -10.090 -16.621 540 2HE MET 67 HE1 MET 67 -9.962 -9.847 -18.169 541 3HE MET 67 HE3 MET 67 -11.718 -9.742 -18.065 542 H VAL 68 H VAL 68 -16.148 -13.075 -14.928 543 HA VAL 68 HA VAL 68 -15.766 -11.068 -12.984 544 HB VAL 68 HB VAL 68 -16.306 -14.000 -12.497 545 1HG1 VAL 68 1HG1 VAL 68 -16.854 -11.562 -10.805 546 2HG1 VAL 68 3HG1 VAL 68 -17.350 -13.210 -10.420 547 3HG1 VAL 68 2HG1 VAL 68 -15.636 -12.800 -10.491 548 1HG2 VAL 68 1HG2 VAL 68 -18.241 -11.736 -12.975 549 2HG2 VAL 68 3HG2 VAL 68 -17.933 -13.096 -14.056 550 3HG2 VAL 68 2HG2 VAL 68 -18.681 -13.371 -12.483 551 H GLY 69 H GLY 69 -14.004 -10.535 -11.885 552 1HA GLY 69 HA3 GLY 69 -11.884 -12.571 -11.574 553 2HA GLY 69 HA2 GLY 69 -12.309 -11.447 -10.292 554 H VAL 70 H VAL 70 -12.173 -9.069 -10.991 555 HA VAL 70 HA VAL 70 -9.869 -8.673 -12.765 556 HB VAL 70 HB VAL 70 -12.006 -6.717 -11.921 557 1HG1 VAL 70 3HG1 VAL 70 -9.581 -6.297 -13.662 558 2HG1 VAL 70 2HG1 VAL 70 -10.921 -5.160 -13.517 559 3HG1 VAL 70 1HG1 VAL 70 -9.921 -5.529 -12.111 560 1HG2 VAL 70 1HG2 VAL 70 -11.380 -7.952 -14.599 561 2HG2 VAL 70 3HG2 VAL 70 -12.770 -8.319 -13.578 562 3HG2 VAL 70 2HG2 VAL 70 -12.605 -6.719 -14.301 563 H GLY 71 H GLY 71 -11.016 -8.337 -9.560 564 1HA GLY 71 HA3 GLY 71 -9.527 -6.373 -8.434 565 2HA GLY 71 HA2 GLY 71 -8.386 -7.694 -8.606 566 H GLY 72 H GLY 72 -10.011 -6.232 -6.353 567 1HA GLY 72 HA3 GLY 72 -11.118 -8.621 -5.060 568 2HA GLY 72 HA2 GLY 72 -11.411 -6.960 -4.572 569 H ILE 73 H ILE 73 -8.334 -6.641 -5.009 570 HA ILE 73 HA ILE 73 -7.686 -7.298 -2.256 571 HB ILE 73 HB ILE 73 -5.507 -8.256 -2.875 572 1HG1 ILE 73 2HG1 ILE 73 -6.509 -8.822 -5.622 573 2HG1 ILE 73 3HG1 ILE 73 -5.728 -7.277 -5.289 574 1HG2 ILE 73 2HG2 ILE 73 -7.407 -9.672 -2.248 575 2HG2 ILE 73 1HG2 ILE 73 -7.805 -9.851 -3.957 576 3HG2 ILE 73 3HG2 ILE 73 -6.275 -10.475 -3.337 577 1HD1 ILE 73 2HD1 ILE 73 -3.771 -8.505 -4.415 578 2HD1 ILE 73 1HD1 ILE 73 -4.549 -10.015 -4.893 579 3HD1 ILE 73 3HD1 ILE 73 -4.099 -8.829 -6.121 580 H TYR 74 H TYR 74 -5.041 -6.738 -2.227 581 HA TYR 74 HA TYR 74 -4.733 -4.074 -3.414 582 1HB TYR 74 HB2 TYR 74 -3.874 -4.582 -0.579 583 2HB TYR 74 HB3 TYR 74 -4.209 -3.048 -1.376 584 HD1 TYR 74 HD1 TYR 74 -6.306 -2.027 -1.141 585 HD2 TYR 74 HD2 TYR 74 -5.868 -6.127 -0.094 586 HE1 TYR 74 HE1 TYR 74 -8.571 -2.029 -0.186 587 HE2 TYR 74 HE2 TYR 74 -8.132 -6.135 0.852 588 HH TYR 74 HH TYR 74 -9.749 -4.533 1.769 589 H VAL 75 H VAL 75 -3.086 -4.586 -4.809 590 HA VAL 75 HA VAL 75 -0.937 -6.338 -4.008 591 HB VAL 75 HB VAL 75 -1.170 -4.625 -6.487 592 1HG1 VAL 75 1HG1 VAL 75 0.644 -6.951 -5.853 593 2HG1 VAL 75 3HG1 VAL 75 0.526 -6.137 -7.414 594 3HG1 VAL 75 2HG1 VAL 75 1.129 -5.263 -6.005 595 1HG2 VAL 75 2HG2 VAL 75 -1.852 -7.530 -6.048 596 2HG2 VAL 75 1HG2 VAL 75 -3.000 -6.221 -6.337 597 3HG2 VAL 75 3HG2 VAL 75 -1.867 -6.696 -7.603 598 H VAL 76 H VAL 76 0.062 -5.337 -2.268 599 HA VAL 76 HA VAL 76 1.018 -2.617 -2.484 600 HB VAL 76 HB VAL 76 1.643 -4.620 -0.317 601 1HG1 VAL 76 2HG1 VAL 76 1.760 -1.612 -0.431 602 2HG1 VAL 76 1HG1 VAL 76 1.939 -2.560 1.045 603 3HG1 VAL 76 3HG1 VAL 76 3.114 -2.730 -0.260 604 1HG2 VAL 76 1HG2 VAL 76 -0.802 -4.337 -0.658 605 2HG2 VAL 76 3HG2 VAL 76 -0.235 -3.781 0.917 606 3HG2 VAL 76 2HG2 VAL 76 -0.601 -2.611 -0.350 607 H LEU 77 H LEU 77 2.877 -2.050 -3.393 608 HA LEU 77 HA LEU 77 5.091 -3.990 -3.425 609 1HB LEU 77 HB2 LEU 77 4.435 -1.806 -5.398 610 2HB LEU 77 HB3 LEU 77 5.926 -2.729 -5.417 611 HG LEU 77 HG LEU 77 3.129 -3.810 -5.845 612 1HD1 LEU 77 2HD1 LEU 77 3.988 -2.546 -7.741 613 2HD1 LEU 77 1HD1 LEU 77 5.463 -3.514 -7.732 614 3HD1 LEU 77 3HD1 LEU 77 3.914 -4.268 -8.112 615 1HD2 LEU 77 2HD2 LEU 77 4.903 -5.280 -4.638 616 2HD2 LEU 77 1HD2 LEU 77 3.978 -5.952 -5.984 617 3HD2 LEU 77 3HD2 LEU 77 5.630 -5.394 -6.241 618 H VAL 78 H VAL 78 6.214 -3.406 -1.653 619 HA VAL 78 HA VAL 78 6.775 -0.565 -1.226 620 HB VAL 78 HB VAL 78 7.982 -2.254 0.752 621 1HG1 VAL 78 1HG1 VAL 78 7.375 0.097 1.060 622 2HG1 VAL 78 3HG1 VAL 78 5.667 -0.312 0.884 623 3HG1 VAL 78 2HG1 VAL 78 6.587 -0.920 2.263 624 1HG2 VAL 78 1HG2 VAL 78 6.320 -3.913 0.103 625 2HG2 VAL 78 3HG2 VAL 78 5.976 -3.265 1.706 626 3HG2 VAL 78 2HG2 VAL 78 5.039 -2.721 0.316 627 H LYS 79 H LYS 79 8.487 0.201 -2.245 628 HA LYS 79 HA LYS 79 10.842 -1.528 -2.573 629 1HB LYS 79 HB2 LYS 79 9.593 0.566 -4.273 630 2HB LYS 79 HB3 LYS 79 11.343 0.400 -4.336 631 1HG LYS 79 HG2 LYS 79 11.051 -1.999 -4.868 632 2HG LYS 79 HG3 LYS 79 9.295 -1.741 -4.928 633 1HD LYS 79 HD2 LYS 79 11.319 -0.302 -6.652 634 2HD LYS 79 HD3 LYS 79 10.370 -1.699 -7.163 635 1HE LYS 79 HE2 LYS 79 8.308 -0.431 -6.780 636 2HE LYS 79 HE3 LYS 79 9.262 0.965 -6.281 637 1HZ LYS 79 HZ3 LYS 79 10.237 1.041 -8.491 638 2HZ LYS 79 HZ2 LYS 79 9.318 -0.296 -8.970 639 3HZ LYS 79 HZ1 LYS 79 8.551 1.160 -8.577 640 HA PRO 80 HA PRO 80 12.498 1.299 0.600 641 1HB PRO 80 HB2 PRO 80 14.861 -0.424 0.071 642 2HB PRO 80 HB3 PRO 80 14.116 0.026 1.608 643 1HG PRO 80 HG2 PRO 80 13.804 -2.421 0.573 644 2HG PRO 80 HG3 PRO 80 12.504 -1.613 1.461 645 1HD PRO 80 HD2 PRO 80 12.816 -2.046 -1.471 646 2HD PRO 80 HD3 PRO 80 11.344 -2.002 -0.481 647 H ARG 81 H ARG 81 12.709 3.198 -0.587 648 HA ARG 81 HA ARG 81 14.460 3.466 -2.802 649 1HB ARG 81 HB2 ARG 81 12.811 5.297 -1.157 650 2HB ARG 81 HB3 ARG 81 14.142 6.012 -2.049 651 1HG ARG 81 HG2 ARG 81 13.260 5.178 -4.128 652 2HG ARG 81 HG3 ARG 81 11.984 4.310 -3.272 653 1HD ARG 81 HD2 ARG 81 11.129 6.448 -2.425 654 2HD ARG 81 HD3 ARG 81 12.368 7.298 -3.347 655 HE ARG 81 HE ARG 81 10.866 5.633 -5.061 656 1HH1 ARG 81 1HH1 ARG 81 10.622 8.598 -3.246 657 2HH1 ARG 81 2HH1 ARG 81 9.451 9.303 -4.311 658 1HH2 ARG 81 1HH2 ARG 81 9.327 6.554 -6.468 659 2HH2 ARG 81 2HH2 ARG 81 8.715 8.141 -6.141 660 H LYS 82 H LYS 82 14.721 4.263 0.628 661 HA LYS 82 HA LYS 82 17.578 4.853 0.225 662 1HB LYS 82 HB2 LYS 82 15.793 5.706 2.514 663 2HB LYS 82 HB3 LYS 82 17.478 6.154 2.290 664 1HG LYS 82 HG2 LYS 82 16.851 7.321 0.204 665 2HG LYS 82 HG3 LYS 82 15.160 6.943 0.542 666 1HD LYS 82 HD2 LYS 82 15.300 8.186 2.644 667 2HD LYS 82 HD3 LYS 82 16.992 8.564 2.310 668 1HE LYS 82 HE2 LYS 82 14.626 9.401 0.637 669 2HE LYS 82 HE3 LYS 82 15.530 10.437 1.740 670 1HZ LYS 82 HZ1 LYS 82 17.499 10.105 0.379 671 2HZ LYS 82 HZ3 LYS 82 16.629 9.113 -0.681 672 3HZ LYS 82 HZ2 LYS 82 16.238 10.753 -0.544 673 H ARG 83 H ARG 83 18.698 4.517 2.571 674 HA ARG 83 HA ARG 83 18.045 1.754 3.365 675 1HB ARG 83 HB2 ARG 83 20.768 3.046 3.477 676 2HB ARG 83 HB3 ARG 83 20.381 1.352 3.732 677 1HG ARG 83 HG2 ARG 83 19.901 1.013 1.446 678 2HG ARG 83 HG3 ARG 83 19.897 2.747 1.118 679 1HD ARG 83 HD2 ARG 83 22.281 2.854 1.622 680 2HD ARG 83 HD3 ARG 83 22.292 1.127 1.973 681 HE ARG 83 HE ARG 83 21.299 1.424 -0.599 682 1HH1 ARG 83 1HH1 ARG 83 24.261 2.067 1.118 683 2HH1 ARG 83 2HH1 ARG 83 25.266 1.853 -0.276 684 1HH2 ARG 83 1HH2 ARG 83 22.614 1.142 -2.439 685 2HH2 ARG 83 2HH2 ARG 83 24.330 1.328 -2.299 686 H GLY 84 H GLY 84 18.029 1.238 5.533 687 1HA GLY 84 HA3 GLY 84 18.040 3.553 7.351 688 2HA GLY 84 HA2 GLY 84 18.983 2.128 7.764 689 H HIS 85 H HIS 85 16.441 3.572 8.816 690 HA HIS 85 HA HIS 85 14.989 1.078 9.336 691 1HB HIS 85 HB2 HIS 85 14.914 3.710 10.822 692 2HB HIS 85 HB3 HIS 85 14.034 2.254 11.275 693 HD1 HIS 85 HD1 HIS 85 17.302 3.905 11.595 694 HD2 HIS 85 HD2 HIS 85 15.723 0.108 12.191 695 HE1 HIS 85 HE1 HIS 85 19.004 2.679 12.981 696 HE2 HIS 85 HE2 HIS 85 18.065 0.358 13.258 697 H HIS 86 H HIS 86 13.702 0.963 7.523 698 HA HIS 86 HA HIS 86 11.778 3.152 7.117 699 1HB HIS 86 HB2 HIS 86 12.491 0.884 5.241 700 2HB HIS 86 HB3 HIS 86 11.402 2.223 4.888 701 HD1 HIS 86 HD1 HIS 86 14.265 3.466 6.701 702 HD2 HIS 86 HD2 HIS 86 13.404 2.556 2.741 703 HE1 HIS 86 HE1 HIS 86 16.016 4.653 5.344 704 HE2 HIS 86 HE2 HIS 86 15.389 4.197 2.948 705 H THR 87 H THR 87 9.543 2.434 6.479 706 HA THR 87 HA THR 87 8.721 -0.197 7.296 707 HB THR 87 HB THR 87 7.884 2.162 8.990 708 HG1 THR 87 HG1 THR 87 9.481 -0.131 9.564 709 1HG2 THR 87 3HG2 THR 87 6.068 0.548 8.624 710 2HG2 THR 87 2HG2 THR 87 7.117 -0.751 9.194 711 3HG2 THR 87 1HG2 THR 87 6.628 0.535 10.297 712 H LEU 88 H LEU 88 6.506 -0.637 6.921 713 HA LEU 88 HA LEU 88 5.079 1.379 5.318 714 1HB LEU 88 HB2 LEU 88 5.894 -0.273 3.795 715 2HB LEU 88 HB3 LEU 88 5.374 -1.581 4.835 716 HG LEU 88 HG LEU 88 2.991 -0.663 4.423 717 1HD1 LEU 88 3HD1 LEU 88 4.467 0.570 2.103 718 2HD1 LEU 88 2HD1 LEU 88 2.714 0.475 2.279 719 3HD1 LEU 88 1HD1 LEU 88 3.663 1.444 3.407 720 1HD2 LEU 88 2HD2 LEU 88 4.057 -2.779 3.523 721 2HD2 LEU 88 1HD2 LEU 88 2.711 -2.114 2.597 722 3HD2 LEU 88 3HD2 LEU 88 4.365 -1.868 2.046 723 H GLU 89 H GLU 89 3.664 2.026 6.908 724 HA GLU 89 HA GLU 89 2.321 0.056 8.541 725 1HB GLU 89 HB2 GLU 89 1.537 2.934 8.485 726 2HB GLU 89 HB3 GLU 89 1.556 1.812 9.837 727 1HG GLU 89 HG2 GLU 89 4.056 1.865 9.716 728 2HG GLU 89 HG3 GLU 89 3.894 3.159 8.532 729 H LEU 90 H LEU 90 0.917 -1.139 7.358 730 HA LEU 90 HA LEU 90 -1.048 0.242 5.684 731 1HB LEU 90 HB2 LEU 90 -0.688 -2.729 6.093 732 2HB LEU 90 HB3 LEU 90 -1.680 -1.953 4.875 733 HG LEU 90 HG LEU 90 1.332 -2.014 5.012 734 1HD1 LEU 90 3HD1 LEU 90 0.221 -4.017 4.121 735 2HD1 LEU 90 2HD1 LEU 90 -0.606 -3.013 2.930 736 3HD1 LEU 90 1HD1 LEU 90 1.150 -3.164 2.888 737 1HD2 LEU 90 3HD2 LEU 90 0.622 0.212 4.319 738 2HD2 LEU 90 2HD2 LEU 90 1.326 -0.678 2.970 739 3HD2 LEU 90 1HD2 LEU 90 -0.426 -0.495 3.089 740 H VAL 91 H VAL 91 -3.098 0.574 6.339 741 HA VAL 91 HA VAL 91 -4.017 -0.863 8.743 742 HB VAL 91 HB VAL 91 -3.261 1.443 9.297 743 1HG1 VAL 91 2HG1 VAL 91 -5.504 2.240 7.441 744 2HG1 VAL 91 1HG1 VAL 91 -4.692 3.334 8.563 745 3HG1 VAL 91 3HG1 VAL 91 -3.785 2.587 7.249 746 1HG2 VAL 91 2HG2 VAL 91 -6.210 0.900 9.623 747 2HG2 VAL 91 1HG2 VAL 91 -4.913 0.369 10.696 748 3HG2 VAL 91 3HG2 VAL 91 -5.287 2.086 10.547 749 H TYR 92 H TYR 92 -6.315 -0.974 9.010 750 HA TYR 92 HA TYR 92 -7.775 -0.935 6.463 751 1HB TYR 92 HB2 TYR 92 -7.553 -2.964 8.191 752 2HB TYR 92 HB3 TYR 92 -8.918 -2.148 8.940 753 HD1 TYR 92 HD1 TYR 92 -10.595 -3.761 8.565 754 HD2 TYR 92 HD2 TYR 92 -8.268 -2.352 5.291 755 HE1 TYR 92 HE1 TYR 92 -12.122 -4.886 7.003 756 HE2 TYR 92 HE2 TYR 92 -9.793 -3.471 3.720 757 HH TYR 92 HH TYR 92 -12.812 -4.705 4.648 758 H THR 93 H THR 93 -8.443 1.190 6.292 759 HA THR 93 HA THR 93 -10.024 2.279 8.538 760 HB THR 93 HB THR 93 -8.053 3.605 8.188 761 HG1 THR 93 HG1 THR 93 -10.343 4.588 8.307 762 1HG2 THR 93 2HG2 THR 93 -8.947 3.820 5.313 763 2HG2 THR 93 1HG2 THR 93 -7.596 4.698 6.033 764 3HG2 THR 93 3HG2 THR 93 -7.536 2.940 5.902 765 H ARG 94 H ARG 94 -11.645 3.934 7.888 766 HA ARG 94 HA ARG 94 -13.104 3.042 5.501 767 1HB ARG 94 HB2 ARG 94 -14.096 4.665 7.855 768 2HB ARG 94 HB3 ARG 94 -15.077 4.065 6.526 769 1HG ARG 94 HG2 ARG 94 -14.598 1.769 7.206 770 2HG ARG 94 HG3 ARG 94 -13.620 2.376 8.544 771 1HD ARG 94 HD2 ARG 94 -15.849 1.752 9.305 772 2HD ARG 94 HD3 ARG 94 -15.578 3.485 9.485 773 HE ARG 94 HE ARG 94 -16.810 2.997 7.007 774 1HH1 ARG 94 1HH1 ARG 94 -17.508 2.908 10.420 775 2HH1 ARG 94 2HH1 ARG 94 -19.198 3.231 10.213 776 1HH2 ARG 94 1HH2 ARG 94 -19.032 3.422 6.726 777 2HH2 ARG 94 2HH2 ARG 94 -20.064 3.523 8.114 778 HA PRO 95 HA PRO 95 -11.193 6.906 3.878 779 1HB PRO 95 HB2 PRO 95 -12.773 5.806 1.585 780 2HB PRO 95 HB3 PRO 95 -11.159 6.524 1.593 781 1HG PRO 95 HG2 PRO 95 -11.407 3.895 1.460 782 2HG PRO 95 HG3 PRO 95 -10.178 4.609 2.521 783 1HD PRO 95 HD2 PRO 95 -12.822 3.404 3.222 784 2HD PRO 95 HD3 PRO 95 -11.274 3.319 4.085 785 H PHE 96 H PHE 96 -14.534 5.811 3.737 786 HA PHE 96 HA PHE 96 -15.599 8.347 2.980 787 1HB PHE 96 HB2 PHE 96 -16.882 5.840 4.070 788 2HB PHE 96 HB3 PHE 96 -17.763 7.234 3.479 789 HD1 PHE 96 HD1 PHE 96 -18.223 7.499 1.196 790 HD2 PHE 96 HD2 PHE 96 -15.374 4.604 2.468 791 HE1 PHE 96 HE1 PHE 96 -18.133 6.588 -1.088 792 HE2 PHE 96 HE2 PHE 96 -15.278 3.690 0.187 793 HZ PHE 96 HZ PHE 96 -16.659 4.681 -1.596 794 H GLU 97 H GLU 97 -14.031 7.698 5.647 795 HA GLU 97 HA GLU 97 -15.570 9.561 7.260 796 1HB GLU 97 HB2 GLU 97 -14.949 6.743 8.146 797 2HB GLU 97 HB3 GLU 97 -15.324 8.032 9.280 798 1HG GLU 97 HG2 GLU 97 -17.154 7.171 7.053 799 2HG GLU 97 HG3 GLU 97 -17.236 6.547 8.700 800 H GLY 98 H GLY 98 -12.988 7.237 7.976 801 1HA GLY 98 HA3 GLY 98 -11.393 9.216 9.296 802 2HA GLY 98 HA2 GLY 98 -10.740 8.790 7.717 803 H ILE 99 H ILE 99 -8.988 8.202 9.400 804 HA ILE 99 HA ILE 99 -9.171 5.311 9.707 805 HB ILE 99 HB ILE 99 -6.704 6.937 10.194 806 1HG1 ILE 99 2HG1 ILE 99 -7.554 5.819 7.519 807 2HG1 ILE 99 3HG1 ILE 99 -7.791 7.507 7.968 808 1HG2 ILE 99 2HG2 ILE 99 -7.426 4.101 9.860 809 2HG2 ILE 99 1HG2 ILE 99 -5.968 4.615 9.001 810 3HG2 ILE 99 3HG2 ILE 99 -6.089 4.837 10.748 811 1HD1 ILE 99 2HD1 ILE 99 -5.144 6.079 7.818 812 2HD1 ILE 99 1HD1 ILE 99 -5.793 7.181 6.605 813 3HD1 ILE 99 3HD1 ILE 99 -5.390 7.779 8.214 814 H LYS 100 H LYS 100 -8.583 4.231 11.599 815 HA LYS 100 HA LYS 100 -8.537 5.831 14.057 816 1HB LYS 100 HB2 LYS 100 -10.207 3.355 13.979 817 2HB LYS 100 HB3 LYS 100 -10.359 4.773 15.005 818 1HG LYS 100 HG2 LYS 100 -10.893 4.923 12.069 819 2HG LYS 100 HG3 LYS 100 -12.133 4.401 13.215 820 1HD LYS 100 HD2 LYS 100 -11.099 6.688 14.368 821 2HD LYS 100 HD3 LYS 100 -11.124 7.067 12.644 822 1HE LYS 100 HE2 LYS 100 -13.473 6.486 12.518 823 2HE LYS 100 HE3 LYS 100 -13.460 6.000 14.216 824 1HZ LYS 100 HZ2 LYS 100 -12.960 8.748 13.204 825 2HZ LYS 100 HZ1 LYS 100 -14.390 8.212 13.932 826 3HZ LYS 100 HZ3 LYS 100 -12.957 8.281 14.829 827 HA PRO 101 HA PRO 101 -5.579 2.878 15.473 828 1HB PRO 101 HB2 PRO 101 -6.638 2.832 18.175 829 2HB PRO 101 HB3 PRO 101 -5.209 3.665 17.563 830 1HG PRO 101 HG2 PRO 101 -7.430 4.981 18.414 831 2HG PRO 101 HG3 PRO 101 -6.358 5.613 17.151 832 1HD PRO 101 HD2 PRO 101 -8.965 4.151 16.866 833 2HD PRO 101 HD3 PRO 101 -8.402 5.607 16.016 834 H GLU 102 H GLU 102 -8.739 2.182 16.957 835 HA GLU 102 HA GLU 102 -8.311 -0.486 17.575 836 1HB GLU 102 HB2 GLU 102 -10.797 -0.697 17.511 837 2HB GLU 102 HB3 GLU 102 -10.203 0.650 18.477 838 1HG GLU 102 HG2 GLU 102 -10.650 2.167 16.631 839 2HG GLU 102 HG3 GLU 102 -11.252 0.820 15.670 840 H ASN 103 H ASN 103 -8.703 0.957 14.511 841 HA ASN 103 HA ASN 103 -9.885 -1.143 13.067 842 1HB ASN 103 HB2 ASN 103 -7.925 0.966 12.152 843 2HB ASN 103 HB3 ASN 103 -8.855 -0.073 11.082 844 1HD2 ASN 103 1HD2 ASN 103 -11.189 0.041 12.904 845 2HD2 ASN 103 2HD2 ASN 103 -11.903 1.588 12.627 846 H GLU 104 H GLU 104 -8.793 -2.504 11.418 847 HA GLU 104 HA GLU 104 -6.893 -4.181 12.560 848 1HB GLU 104 HB2 GLU 104 -8.276 -3.920 10.011 849 2HB GLU 104 HB3 GLU 104 -6.665 -4.594 9.849 850 1HG GLU 104 HG2 GLU 104 -7.997 -6.459 10.141 851 2HG GLU 104 HG3 GLU 104 -7.356 -6.164 11.755 852 H ARG 105 H ARG 105 -4.729 -4.677 11.698 853 HA ARG 105 HA ARG 105 -3.324 -2.308 10.668 854 1HB ARG 105 HB2 ARG 105 -3.108 -2.378 13.131 855 2HB ARG 105 HB3 ARG 105 -2.432 -3.990 13.017 856 1HG ARG 105 HG2 ARG 105 -0.508 -2.787 13.221 857 2HG ARG 105 HG3 ARG 105 -0.685 -2.777 11.463 858 1HD ARG 105 HD2 ARG 105 -0.196 -0.546 12.190 859 2HD ARG 105 HD3 ARG 105 -1.870 -0.608 11.634 860 HE ARG 105 HE ARG 105 -1.857 -1.090 14.380 861 1HH1 ARG 105 1HH1 ARG 105 -1.127 1.501 12.165 862 2HH1 ARG 105 2HH1 ARG 105 -1.530 2.752 13.293 863 1HH2 ARG 105 1HH2 ARG 105 -2.390 0.553 15.871 864 2HH2 ARG 105 2HH2 ARG 105 -2.248 2.213 15.399 865 H TYR 106 H TYR 106 -1.160 -2.787 9.881 866 HA TYR 106 HA TYR 106 -0.113 -5.366 9.543 867 1HB TYR 106 HB2 TYR 106 -2.052 -5.541 7.957 868 2HB TYR 106 HB3 TYR 106 -1.330 -4.241 7.009 869 HD1 TYR 106 HD1 TYR 106 -1.232 -7.753 7.879 870 HD2 TYR 106 HD2 TYR 106 0.815 -4.653 5.811 871 HE1 TYR 106 HE1 TYR 106 0.086 -9.432 6.679 872 HE2 TYR 106 HE2 TYR 106 2.147 -6.327 4.605 873 HH TYR 106 HH TYR 106 1.365 -9.632 4.588 874 H THR 107 H THR 107 1.324 -3.709 10.517 875 HA THR 107 HA THR 107 2.540 -1.823 8.682 876 HB THR 107 HB THR 107 3.387 -2.438 11.514 877 HG1 THR 107 HG1 THR 107 1.869 -0.184 11.100 878 1HG2 THR 107 3HG2 THR 107 3.739 -0.014 9.752 879 2HG2 THR 107 2HG2 THR 107 4.240 -0.131 11.439 880 3HG2 THR 107 1HG2 THR 107 4.997 -1.156 10.219 881 H LEU 108 H LEU 108 3.700 -2.913 7.175 882 HA LEU 108 HA LEU 108 5.424 -5.107 7.818 883 1HB LEU 108 HB2 LEU 108 4.348 -4.970 5.649 884 2HB LEU 108 HB3 LEU 108 5.132 -3.442 5.318 885 HG LEU 108 HG LEU 108 7.333 -4.621 5.358 886 1HD1 LEU 108 1HD1 LEU 108 5.608 -7.090 5.490 887 2HD1 LEU 108 3HD1 LEU 108 7.347 -7.061 5.197 888 3HD1 LEU 108 2HD1 LEU 108 6.705 -6.519 6.747 889 1HD2 LEU 108 2HD2 LEU 108 6.161 -4.143 3.264 890 2HD2 LEU 108 1HD2 LEU 108 7.077 -5.648 3.173 891 3HD2 LEU 108 3HD2 LEU 108 5.328 -5.693 3.383 892 H HIS 109 H HIS 109 6.856 -4.279 9.387 893 HA HIS 109 HA HIS 109 8.482 -1.985 8.873 894 1HB HIS 109 HB2 HIS 109 8.362 -4.067 10.984 895 2HB HIS 109 HB3 HIS 109 9.837 -3.122 10.825 896 HD1 HIS 109 HD1 HIS 109 9.801 -0.755 11.705 897 HD2 HIS 109 HD2 HIS 109 6.052 -2.544 11.695 898 HE1 HIS 109 HE1 HIS 109 8.305 0.812 12.982 899 HE2 HIS 109 HE2 HIS 109 6.063 -0.334 13.037 900 H LEU 110 H LEU 110 10.603 -1.873 8.271 901 HA LEU 110 HA LEU 110 11.955 -4.298 7.386 902 1HB LEU 110 HB2 LEU 110 11.392 -1.942 5.587 903 2HB LEU 110 HB3 LEU 110 12.452 -3.274 5.179 904 HG LEU 110 HG LEU 110 9.481 -3.509 5.699 905 1HD1 LEU 110 3HD1 LEU 110 11.027 -3.529 3.112 906 2HD1 LEU 110 2HD1 LEU 110 9.308 -3.882 3.282 907 3HD1 LEU 110 1HD1 LEU 110 9.919 -2.271 3.659 908 1HD2 LEU 110 3HD2 LEU 110 10.940 -5.516 6.206 909 2HD2 LEU 110 2HD2 LEU 110 9.641 -5.763 5.041 910 3HD2 LEU 110 1HD2 LEU 110 11.300 -5.566 4.481 911 H ASN 111 H ASN 111 13.806 -4.142 8.518 912 HA ASN 111 HA ASN 111 15.076 -1.593 8.999 913 1HB ASN 111 HB2 ASN 111 15.101 -3.453 10.681 914 2HB ASN 111 HB3 ASN 111 16.123 -4.376 9.584 915 1HD2 ASN 111 1HD2 ASN 111 16.661 -3.439 12.282 916 2HD2 ASN 111 2HD2 ASN 111 18.083 -2.462 12.178 917 H VAL 112 H VAL 112 15.189 -1.171 6.673 918 HA VAL 112 HA VAL 112 16.599 -2.629 4.800 919 HB VAL 112 HB VAL 112 16.802 0.351 4.740 920 1HG1 VAL 112 3HG1 VAL 112 17.639 -1.088 2.899 921 2HG1 VAL 112 2HG1 VAL 112 15.987 -1.659 2.655 922 3HG1 VAL 112 1HG1 VAL 112 16.379 0.041 2.396 923 1HG2 VAL 112 3HG2 VAL 112 14.251 -1.233 4.588 924 2HG2 VAL 112 2HG2 VAL 112 14.606 0.188 5.572 925 3HG2 VAL 112 1HG2 VAL 112 14.430 0.347 3.825 926 H LYS 113 H LYS 113 18.660 -3.189 4.618 927 HA LYS 113 HA LYS 113 20.661 -1.885 6.284 928 1HB LYS 113 HB2 LYS 113 20.758 -4.378 4.583 929 2HB LYS 113 HB3 LYS 113 22.111 -3.773 5.528 930 1HG LYS 113 HG2 LYS 113 19.459 -4.423 6.770 931 2HG LYS 113 HG3 LYS 113 20.725 -5.632 6.550 932 1HD LYS 113 HD2 LYS 113 22.263 -4.264 7.874 933 2HD LYS 113 HD3 LYS 113 21.001 -3.047 8.085 934 1HE LYS 113 HE2 LYS 113 19.621 -4.671 9.270 935 2HE LYS 113 HE3 LYS 113 20.860 -5.905 9.040 936 1HZ LYS 113 HZ1 LYS 113 22.381 -4.571 10.362 937 2HZ LYS 113 HZ3 LYS 113 21.190 -3.388 10.583 938 3HZ LYS 113 HZ2 LYS 113 20.984 -4.932 11.243 No H/Q in entry = 938 Start of MODEL 37 1 H1 GLY -2 HT2 GLY -2 -21.240 -22.228 13.611 2 H2 GLY -2 HT1 GLY -2 -20.793 -23.686 12.880 3 H3 GLY -2 HT3 GLY -2 -22.214 -23.600 13.796 4 1HA GLY -2 HA2 GLY -2 -20.485 -24.716 15.045 5 2HA GLY -2 HA3 GLY -2 -20.948 -23.201 15.806 6 H SER -1 H SER -1 -19.498 -21.503 15.884 7 HA SER -1 HA SER -1 -16.977 -21.611 14.515 8 1HB SER -1 HB2 SER -1 -17.944 -19.764 16.711 9 2HB SER -1 HB3 SER -1 -16.469 -19.542 15.770 10 HG SER -1 HG SER -1 -17.638 -18.662 14.280 11 H HIS 0 H HIS 0 -15.182 -22.587 15.169 12 HA HIS 0 HA HIS 0 -15.093 -23.766 17.829 13 1HB HIS 0 HB2 HIS 0 -14.509 -25.156 15.882 14 2HB HIS 0 HB3 HIS 0 -13.191 -24.056 15.493 15 HD1 HIS 0 HD1 HIS 0 -10.996 -24.429 16.659 16 HD2 HIS 0 HD2 HIS 0 -14.089 -26.659 18.310 17 HE1 HIS 0 HE1 HIS 0 -9.898 -25.995 18.292 18 HE2 HIS 0 HE2 HIS 0 -11.780 -27.395 19.214 19 H MET 1 H MET 1 -13.520 -21.280 15.940 20 HA MET 1 HA MET 1 -11.896 -20.585 18.300 21 1HB MET 1 HB2 MET 1 -11.194 -20.189 15.385 22 2HB MET 1 HB3 MET 1 -10.228 -19.636 16.746 23 1HG MET 1 HG2 MET 1 -9.915 -21.953 17.462 24 2HG MET 1 HG3 MET 1 -10.871 -22.500 16.086 25 1HE MET 1 HE3 MET 1 -9.923 -20.505 13.796 26 2HE MET 1 HE2 MET 1 -8.622 -21.440 13.061 27 3HE MET 1 HE1 MET 1 -10.112 -22.241 13.556 28 H ILE 2 H ILE 2 -11.759 -18.433 18.879 29 HA ILE 2 HA ILE 2 -13.658 -16.638 17.514 30 HB ILE 2 HB ILE 2 -13.888 -15.453 19.668 31 1HG1 ILE 2 2HG1 ILE 2 -12.306 -17.769 20.808 32 2HG1 ILE 2 3HG1 ILE 2 -11.680 -16.137 20.597 33 1HG2 ILE 2 3HG2 ILE 2 -15.505 -17.159 19.029 34 2HG2 ILE 2 2HG2 ILE 2 -14.510 -18.402 19.791 35 3HG2 ILE 2 1HG2 ILE 2 -15.263 -17.148 20.777 36 1HD1 ILE 2 2HD1 ILE 2 -13.357 -15.294 22.156 37 2HD1 ILE 2 1HD1 ILE 2 -13.973 -16.933 22.374 38 3HD1 ILE 2 3HD1 ILE 2 -12.337 -16.530 22.893 39 H ALA 3 H ALA 3 -10.567 -17.186 17.421 40 HA ALA 3 HA ALA 3 -9.251 -14.864 18.261 41 1HB ALA 3 HB1 ALA 3 -8.508 -16.673 15.966 42 2HB ALA 3 HB3 ALA 3 -7.440 -15.535 16.786 43 3HB ALA 3 HB2 ALA 3 -8.082 -16.929 17.657 44 HA PRO 4 HA PRO 4 -9.871 -13.316 13.604 45 1HB PRO 4 HB2 PRO 4 -12.579 -14.492 13.224 46 2HB PRO 4 HB3 PRO 4 -11.281 -14.253 12.049 47 1HG PRO 4 HG2 PRO 4 -11.812 -16.678 13.006 48 2HG PRO 4 HG3 PRO 4 -10.140 -16.157 12.727 49 1HD PRO 4 HD2 PRO 4 -11.654 -16.387 15.293 50 2HD PRO 4 HD3 PRO 4 -9.950 -16.744 14.953 51 H LEU 5 H LEU 5 -10.854 -11.345 13.224 52 HA LEU 5 HA LEU 5 -11.965 -9.428 13.723 53 1HB LEU 5 HB2 LEU 5 -14.035 -11.454 14.549 54 2HB LEU 5 HB3 LEU 5 -14.333 -9.729 14.618 55 HG LEU 5 HG LEU 5 -15.298 -10.652 12.601 56 1HD1 LEU 5 2HD1 LEU 5 -14.391 -8.395 12.474 57 2HD1 LEU 5 1HD1 LEU 5 -12.824 -9.042 11.990 58 3HD1 LEU 5 3HD1 LEU 5 -14.220 -9.234 10.931 59 1HD2 LEU 5 1HD2 LEU 5 -13.852 -12.613 12.382 60 2HD2 LEU 5 3HD2 LEU 5 -13.948 -11.700 10.876 61 3HD2 LEU 5 2HD2 LEU 5 -12.515 -11.570 11.896 62 H SER 6 H SER 6 -10.380 -10.997 15.841 63 HA SER 6 HA SER 6 -11.091 -9.213 18.046 64 1HB SER 6 HB2 SER 6 -12.211 -11.330 18.569 65 2HB SER 6 HB3 SER 6 -10.688 -12.198 18.369 66 HG SER 6 HG SER 6 -9.864 -10.952 20.122 67 H VAL 7 H VAL 7 -8.791 -11.170 16.346 68 HA VAL 7 HA VAL 7 -6.611 -9.572 17.322 69 HB VAL 7 HB VAL 7 -6.801 -11.243 19.129 70 1HG1 VAL 7 1HG1 VAL 7 -6.251 -13.246 16.942 71 2HG1 VAL 7 3HG1 VAL 7 -6.258 -13.595 18.671 72 3HG1 VAL 7 2HG1 VAL 7 -7.745 -13.090 17.869 73 1HG2 VAL 7 2HG2 VAL 7 -4.350 -11.543 17.399 74 2HG2 VAL 7 1HG2 VAL 7 -4.627 -10.298 18.617 75 3HG2 VAL 7 3HG2 VAL 7 -4.460 -11.985 19.103 76 H LYS 8 H LYS 8 -4.737 -9.767 16.047 77 HA LYS 8 HA LYS 8 -4.371 -11.759 14.081 78 1HB LYS 8 HB2 LYS 8 -6.293 -10.568 13.054 79 2HB LYS 8 HB3 LYS 8 -5.342 -9.089 13.043 80 1HG LYS 8 HG2 LYS 8 -5.291 -10.051 10.857 81 2HG LYS 8 HG3 LYS 8 -3.691 -10.224 11.582 82 1HD LYS 8 HD2 LYS 8 -4.200 -12.542 12.165 83 2HD LYS 8 HD3 LYS 8 -5.807 -12.372 11.456 84 1HE LYS 8 HE2 LYS 8 -4.800 -11.930 9.273 85 2HE LYS 8 HE3 LYS 8 -3.193 -12.092 9.979 86 1HZ LYS 8 HZ2 LYS 8 -5.247 -14.234 9.852 87 2HZ LYS 8 HZ1 LYS 8 -3.878 -14.121 8.866 88 3HZ LYS 8 HZ3 LYS 8 -3.703 -14.389 10.528 89 H ASP 9 H ASP 9 -2.310 -11.746 13.428 90 HA ASP 9 HA ASP 9 -0.529 -9.795 14.543 91 1HB ASP 9 HB2 ASP 9 0.054 -12.212 14.351 92 2HB ASP 9 HB3 ASP 9 0.091 -12.028 12.600 93 H ASN 10 H ASN 10 0.066 -7.942 13.625 94 HA ASN 10 HA ASN 10 -0.091 -7.719 10.702 95 1HB ASN 10 HB2 ASN 10 -0.521 -5.198 11.379 96 2HB ASN 10 HB3 ASN 10 -1.838 -6.355 11.246 97 1HD2 ASN 10 1HD2 ASN 10 -0.062 -4.264 13.269 98 2HD2 ASN 10 2HD2 ASN 10 -0.932 -4.552 14.733 99 H ASP 11 H ASP 11 1.807 -7.370 13.474 100 HA ASP 11 HA ASP 11 3.598 -5.420 12.329 101 1HB ASP 11 HB2 ASP 11 4.867 -5.811 14.462 102 2HB ASP 11 HB3 ASP 11 3.229 -5.205 14.662 103 H LYS 12 H LYS 12 4.684 -6.221 10.658 104 HA LYS 12 HA LYS 12 6.179 -8.738 11.022 105 1HB LYS 12 HB2 LYS 12 4.804 -7.529 8.719 106 2HB LYS 12 HB3 LYS 12 6.411 -8.143 8.356 107 1HG LYS 12 HG2 LYS 12 4.904 -10.017 9.944 108 2HG LYS 12 HG3 LYS 12 4.052 -9.595 8.457 109 1HD LYS 12 HD2 LYS 12 5.460 -11.511 8.051 110 2HD LYS 12 HD3 LYS 12 6.110 -10.120 7.182 111 1HE LYS 12 HE2 LYS 12 7.891 -11.389 8.259 112 2HE LYS 12 HE3 LYS 12 7.755 -9.773 8.951 113 1HZ LYS 12 HZ3 LYS 12 6.526 -10.712 10.808 114 2HZ LYS 12 HZ2 LYS 12 6.658 -12.261 10.145 115 3HZ LYS 12 HZ1 LYS 12 8.044 -11.444 10.666 116 H TRP 13 H TRP 13 7.426 -7.062 12.364 117 HA TRP 13 HA TRP 13 9.087 -5.238 10.920 118 1HB TRP 13 HB2 TRP 13 9.358 -6.113 13.798 119 2HB TRP 13 HB3 TRP 13 9.913 -4.612 13.071 120 HD1 TRP 13 HD1 TRP 13 6.670 -4.915 11.611 121 HE1 TRP 13 HE1 TRP 13 4.850 -3.685 12.938 122 HE3 TRP 13 HE3 TRP 13 9.179 -4.246 16.024 123 HZ2 TRP 13 HZ2 TRP 13 4.498 -2.580 15.494 124 HZ3 TRP 13 HZ3 TRP 13 8.022 -3.088 17.862 125 HH2 TRP 13 HH2 TRP 13 5.733 -2.272 17.603 126 H VAL 14 H VAL 14 10.730 -5.840 9.748 127 HA VAL 14 HA VAL 14 12.688 -7.726 10.819 128 HB VAL 14 HB VAL 14 12.727 -9.106 8.782 129 1HG1 VAL 14 1HG1 VAL 14 11.462 -9.877 10.727 130 2HG1 VAL 14 3HG1 VAL 14 10.022 -9.063 10.115 131 3HG1 VAL 14 2HG1 VAL 14 10.718 -10.415 9.221 132 1HG2 VAL 14 3HG2 VAL 14 10.231 -7.589 8.031 133 2HG2 VAL 14 2HG2 VAL 14 11.790 -7.508 7.210 134 3HG2 VAL 14 1HG2 VAL 14 10.859 -9.006 7.191 135 H ASP 15 H ASP 15 14.194 -8.130 8.573 136 HA ASP 15 HA ASP 15 15.225 -5.439 8.074 137 1HB ASP 15 HB2 ASP 15 16.505 -7.717 8.797 138 2HB ASP 15 HB3 ASP 15 16.685 -7.791 7.044 139 H THR 16 H THR 16 16.602 -5.867 5.696 140 HA THR 16 HA THR 16 15.171 -7.031 3.606 141 HB THR 16 HB THR 16 13.491 -5.241 4.388 142 HG1 THR 16 HG1 THR 16 13.623 -6.384 2.257 143 1HG2 THR 16 3HG2 THR 16 15.086 -3.395 4.593 144 2HG2 THR 16 2HG2 THR 16 15.404 -3.480 2.862 145 3HG2 THR 16 1HG2 THR 16 13.805 -3.016 3.442 146 H HIS 17 H HIS 17 15.542 -5.559 1.465 147 HA HIS 17 HA HIS 17 18.376 -4.746 1.506 148 1HB HIS 17 HB2 HIS 17 16.796 -6.222 -0.603 149 2HB HIS 17 HB3 HIS 17 18.363 -5.491 -0.928 150 HD1 HIS 17 HD1 HIS 17 20.408 -6.789 -0.238 151 HD2 HIS 17 HD2 HIS 17 16.888 -8.418 1.252 152 HE1 HIS 17 HE1 HIS 17 21.061 -9.005 0.754 153 HE2 HIS 17 HE2 HIS 17 18.902 -10.009 1.578 154 H VAL 18 H VAL 18 18.383 -3.763 -1.180 155 HA VAL 18 HA VAL 18 16.891 -1.285 -0.737 156 HB VAL 18 HB VAL 18 19.002 -1.845 -2.823 157 1HG1 VAL 18 1HG1 VAL 18 17.697 0.715 -1.897 158 2HG1 VAL 18 3HG1 VAL 18 19.096 0.631 -2.968 159 3HG1 VAL 18 2HG1 VAL 18 17.549 -0.038 -3.485 160 1HG2 VAL 18 2HG2 VAL 18 19.239 -0.470 -0.148 161 2HG2 VAL 18 1HG2 VAL 18 19.940 -2.028 -0.587 162 3HG2 VAL 18 3HG2 VAL 18 20.505 -0.554 -1.373 163 H GLY 19 H GLY 19 15.061 -0.900 -1.729 164 1HA GLY 19 HA3 GLY 19 14.575 -1.352 -4.470 165 2HA GLY 19 HA2 GLY 19 13.376 -0.911 -3.271 166 H LYS 20 H LYS 20 14.340 -3.496 -1.802 167 HA LYS 20 HA LYS 20 13.651 -5.692 -3.374 168 1HB LYS 20 HB2 LYS 20 14.496 -5.370 -0.803 169 2HB LYS 20 HB3 LYS 20 12.824 -5.828 -0.553 170 1HG LYS 20 HG2 LYS 20 14.246 -7.774 -0.489 171 2HG LYS 20 HG3 LYS 20 13.161 -7.844 -1.883 172 1HD LYS 20 HD2 LYS 20 15.132 -6.668 -3.097 173 2HD LYS 20 HD3 LYS 20 16.096 -7.333 -1.786 174 1HE LYS 20 HE2 LYS 20 15.234 -9.581 -2.324 175 2HE LYS 20 HE3 LYS 20 14.342 -8.890 -3.679 176 1HZ LYS 20 HZ1 LYS 20 16.441 -8.196 -4.658 177 2HZ LYS 20 HZ3 LYS 20 17.294 -8.870 -3.362 178 3HZ LYS 20 HZ2 LYS 20 16.419 -9.868 -4.409 179 H THR 21 H THR 21 11.882 -5.277 -4.641 180 HA THR 21 HA THR 21 9.474 -4.137 -3.838 181 HB THR 21 HB THR 21 9.664 -6.263 -5.965 182 HG1 THR 21 HG1 THR 21 11.336 -4.676 -6.241 183 1HG2 THR 21 1HG2 THR 21 7.939 -3.803 -5.647 184 2HG2 THR 21 3HG2 THR 21 7.916 -4.894 -7.033 185 3HG2 THR 21 2HG2 THR 21 7.419 -5.476 -5.444 186 H THR 22 H THR 22 8.482 -4.845 -2.051 187 HA THR 22 HA THR 22 7.957 -7.716 -1.764 188 HB THR 22 HB THR 22 7.762 -5.441 0.218 189 HG1 THR 22 HG1 THR 22 9.841 -6.109 0.107 190 1HG2 THR 22 3HG2 THR 22 5.932 -7.041 0.607 191 2HG2 THR 22 2HG2 THR 22 7.106 -8.356 0.668 192 3HG2 THR 22 1HG2 THR 22 7.131 -7.092 1.899 193 H GLU 23 H GLU 23 6.253 -8.155 -3.013 194 HA GLU 23 HA GLU 23 3.950 -6.470 -3.184 195 1HB GLU 23 HB2 GLU 23 4.802 -7.911 -5.035 196 2HB GLU 23 HB3 GLU 23 4.323 -9.320 -4.102 197 1HG GLU 23 HG2 GLU 23 2.023 -8.726 -4.237 198 2HG GLU 23 HG3 GLU 23 2.424 -7.156 -4.936 199 H ILE 24 H ILE 24 2.036 -6.667 -2.149 200 HA ILE 24 HA ILE 24 1.634 -8.990 -0.409 201 HB ILE 24 HB ILE 24 1.200 -6.159 0.499 202 1HG1 ILE 24 2HG1 ILE 24 3.391 -8.111 1.217 203 2HG1 ILE 24 3HG1 ILE 24 3.592 -6.634 0.282 204 1HG2 ILE 24 1HG2 ILE 24 -0.321 -7.797 1.490 205 2HG2 ILE 24 3HG2 ILE 24 1.059 -8.771 1.999 206 3HG2 ILE 24 2HG2 ILE 24 0.810 -7.167 2.688 207 1HD1 ILE 24 2HD1 ILE 24 2.865 -5.345 2.267 208 2HD1 ILE 24 1HD1 ILE 24 2.850 -6.851 3.184 209 3HD1 ILE 24 3HD1 ILE 24 4.360 -6.249 2.502 210 H HIS 25 H HIS 25 -0.091 -9.837 -1.433 211 HA HIS 25 HA HIS 25 -2.312 -8.199 -2.277 212 1HB HIS 25 HB2 HIS 25 -2.324 -11.204 -2.103 213 2HB HIS 25 HB3 HIS 25 -3.232 -10.168 -3.190 214 HD1 HIS 25 HD1 HIS 25 -0.540 -12.414 -3.301 215 HD2 HIS 25 HD2 HIS 25 -1.209 -8.653 -4.937 216 HE1 HIS 25 HE1 HIS 25 1.064 -12.224 -5.228 217 HE2 HIS 25 HE2 HIS 25 0.566 -9.984 -6.267 218 H LEU 26 H LEU 26 -3.702 -7.475 -0.823 219 HA LEU 26 HA LEU 26 -4.164 -9.057 1.614 220 1HB LEU 26 HB2 LEU 26 -4.627 -6.117 1.142 221 2HB LEU 26 HB3 LEU 26 -4.873 -6.962 2.657 222 HG LEU 26 HG LEU 26 -2.182 -6.762 1.311 223 1HD1 LEU 26 1HD1 LEU 26 -2.985 -4.518 1.813 224 2HD1 LEU 26 3HD1 LEU 26 -3.339 -5.005 3.470 225 3HD1 LEU 26 2HD1 LEU 26 -1.671 -4.976 2.897 226 1HD2 LEU 26 1HD2 LEU 26 -2.552 -8.586 2.968 227 2HD2 LEU 26 3HD2 LEU 26 -1.305 -7.429 3.435 228 3HD2 LEU 26 2HD2 LEU 26 -2.904 -7.350 4.178 229 H LYS 27 H LYS 27 -6.297 -9.181 2.451 230 HA LYS 27 HA LYS 27 -8.359 -8.894 0.373 231 1HB LYS 27 HB2 LYS 27 -8.661 -10.669 2.769 232 2HB LYS 27 HB3 LYS 27 -9.456 -10.778 1.206 233 1HG LYS 27 HG2 LYS 27 -7.284 -11.414 0.193 234 2HG LYS 27 HG3 LYS 27 -6.582 -11.433 1.813 235 1HD LYS 27 HD2 LYS 27 -8.166 -13.162 2.492 236 2HD LYS 27 HD3 LYS 27 -8.889 -13.139 0.882 237 1HE LYS 27 HE2 LYS 27 -6.043 -13.889 1.546 238 2HE LYS 27 HE3 LYS 27 -7.339 -15.006 1.121 239 1HZ LYS 27 HZ1 LYS 27 -6.240 -12.888 -0.647 240 2HZ LYS 27 HZ3 LYS 27 -5.916 -14.544 -0.772 241 3HZ LYS 27 HZ2 LYS 27 -7.479 -13.965 -1.053 242 H GLY 28 H GLY 28 -10.490 -8.272 1.081 243 1HA GLY 28 HA3 GLY 28 -10.424 -6.019 2.786 244 2HA GLY 28 HA2 GLY 28 -11.133 -7.377 3.638 245 H ASN 29 H ASN 29 -11.569 -7.288 0.243 246 HA ASN 29 HA ASN 29 -13.394 -7.016 -1.086 247 1HB ASN 29 HB2 ASN 29 -14.431 -8.566 0.566 248 2HB ASN 29 HB3 ASN 29 -14.979 -7.167 1.488 249 1HD2 ASN 29 1HD2 ASN 29 -17.133 -7.660 1.250 250 2HD2 ASN 29 2HD2 ASN 29 -17.968 -7.501 -0.253 251 HA PRO 30 HA PRO 30 -13.167 -2.456 -0.461 252 1HB PRO 30 HB2 PRO 30 -14.077 -2.768 -3.288 253 2HB PRO 30 HB3 PRO 30 -12.866 -1.672 -2.611 254 1HG PRO 30 HG2 PRO 30 -12.119 -3.845 -3.941 255 2HG PRO 30 HG3 PRO 30 -11.252 -3.341 -2.478 256 1HD PRO 30 HD2 PRO 30 -13.197 -5.567 -2.859 257 2HD PRO 30 HD3 PRO 30 -11.768 -5.480 -1.812 258 H THR 31 H THR 31 -15.757 -4.544 -1.468 259 HA THR 31 HA THR 31 -17.733 -2.429 -1.482 260 HB THR 31 HB THR 31 -19.362 -4.202 -1.927 261 HG1 THR 31 HG1 THR 31 -18.369 -5.867 -0.681 262 1HG2 THR 31 1HG2 THR 31 -18.111 -3.263 -3.808 263 2HG2 THR 31 3HG2 THR 31 -16.852 -4.479 -3.586 264 3HG2 THR 31 2HG2 THR 31 -18.473 -4.968 -4.079 265 H THR 32 H THR 32 -16.181 -3.170 1.017 266 HA THR 32 HA THR 32 -18.477 -3.848 2.733 267 HB THR 32 HB THR 32 -16.483 -5.375 2.864 268 HG1 THR 32 HG1 THR 32 -16.517 -5.348 5.192 269 1HG2 THR 32 2HG2 THR 32 -14.772 -3.571 2.633 270 2HG2 THR 32 1HG2 THR 32 -15.180 -3.040 4.264 271 3HG2 THR 32 3HG2 THR 32 -14.496 -4.644 4.005 272 H GLY 33 H GLY 33 -15.804 -1.588 2.277 273 1HA GLY 33 HA3 GLY 33 -16.812 0.042 4.504 274 2HA GLY 33 HA2 GLY 33 -16.757 0.751 2.897 275 H TYR 34 H TYR 34 -14.685 -0.868 5.297 276 HA TYR 34 HA TYR 34 -12.764 1.164 5.340 277 1HB TYR 34 HB2 TYR 34 -12.560 -1.743 6.125 278 2HB TYR 34 HB3 TYR 34 -11.294 -0.561 6.437 279 HD1 TYR 34 HD1 TYR 34 -14.835 -1.385 7.169 280 HD2 TYR 34 HD2 TYR 34 -11.401 0.854 8.330 281 HE1 TYR 34 HE1 TYR 34 -15.955 -0.764 9.268 282 HE2 TYR 34 HE2 TYR 34 -12.516 1.478 10.429 283 HH TYR 34 HH TYR 34 -15.349 -0.030 11.532 284 H MET 35 H MET 35 -10.505 1.027 4.707 285 HA MET 35 HA MET 35 -10.098 -0.379 2.165 286 1HB MET 35 HB2 MET 35 -10.229 1.824 1.460 287 2HB MET 35 HB3 MET 35 -9.589 2.451 2.974 288 1HG MET 35 HG2 MET 35 -7.369 1.598 2.359 289 2HG MET 35 HG3 MET 35 -8.030 1.065 0.830 290 1HE MET 35 HE2 MET 35 -9.986 3.275 -0.050 291 2HE MET 35 HE1 MET 35 -8.969 4.412 -0.936 292 3HE MET 35 HE3 MET 35 -8.752 2.676 -1.157 293 H TRP 36 H TRP 36 -7.986 -1.070 1.745 294 HA TRP 36 HA TRP 36 -6.274 -1.234 4.130 295 1HB TRP 36 HB2 TRP 36 -7.032 -3.168 2.079 296 2HB TRP 36 HB3 TRP 36 -5.299 -3.080 2.342 297 HD1 TRP 36 HD1 TRP 36 -8.071 -5.042 3.464 298 HE1 TRP 36 HE1 TRP 36 -7.689 -6.032 5.813 299 HE3 TRP 36 HE3 TRP 36 -4.142 -2.127 4.947 300 HZ2 TRP 36 HZ2 TRP 36 -5.953 -5.630 7.996 301 HZ3 TRP 36 HZ3 TRP 36 -3.181 -2.496 7.176 302 HH2 TRP 36 HH2 TRP 36 -4.071 -4.208 8.667 303 H THR 37 H THR 37 -5.324 0.801 3.727 304 HA THR 37 HA THR 37 -3.356 0.743 1.534 305 HB THR 37 HB THR 37 -5.322 2.249 1.008 306 HG1 THR 37 HG1 THR 37 -3.834 4.048 0.468 307 1HG2 THR 37 2HG2 THR 37 -5.702 3.105 3.268 308 2HG2 THR 37 1HG2 THR 37 -4.123 3.892 3.243 309 3HG2 THR 37 3HG2 THR 37 -5.391 4.424 2.139 310 H ARG 38 H ARG 38 -2.117 3.221 2.154 311 HA ARG 38 HA ARG 38 -0.791 2.475 4.645 312 1HB ARG 38 HB2 ARG 38 -0.045 4.091 2.262 313 2HB ARG 38 HB3 ARG 38 0.664 4.547 3.795 314 1HG ARG 38 HG2 ARG 38 1.691 2.447 4.058 315 2HG ARG 38 HG3 ARG 38 0.818 1.786 2.673 316 1HD ARG 38 HD2 ARG 38 3.209 2.465 2.268 317 2HD ARG 38 HD3 ARG 38 2.038 3.100 1.149 318 HE ARG 38 HE ARG 38 2.282 5.232 2.211 319 1HH1 ARG 38 1HH1 ARG 38 4.539 2.794 3.263 320 2HH1 ARG 38 2HH1 ARG 38 5.722 3.937 3.806 321 1HH2 ARG 38 1HH2 ARG 38 3.852 6.747 2.906 322 2HH2 ARG 38 2HH2 ARG 38 5.331 6.180 3.607 323 H VAL 39 H VAL 39 -1.272 3.436 6.493 324 HA VAL 39 HA VAL 39 -3.203 5.370 6.847 325 HB VAL 39 HB VAL 39 -2.559 4.094 8.735 326 1HG1 VAL 39 2HG1 VAL 39 -0.255 3.649 7.996 327 2HG1 VAL 39 1HG1 VAL 39 0.203 5.273 8.510 328 3HG1 VAL 39 3HG1 VAL 39 -0.344 4.093 9.701 329 1HG2 VAL 39 3HG2 VAL 39 -3.264 6.376 9.260 330 2HG2 VAL 39 2HG2 VAL 39 -2.100 5.772 10.439 331 3HG2 VAL 39 1HG2 VAL 39 -1.584 6.911 9.195 332 H GLY 40 H GLY 40 -3.246 7.577 7.013 333 1HA GLY 40 HA3 GLY 40 -0.778 9.105 6.858 334 2HA GLY 40 HA2 GLY 40 -2.401 9.757 7.044 335 H PHE 41 H PHE 41 -2.383 7.482 4.628 336 HA PHE 41 HA PHE 41 -2.168 9.556 2.550 337 1HB PHE 41 HB2 PHE 41 -1.304 6.675 2.244 338 2HB PHE 41 HB3 PHE 41 -1.116 7.964 1.061 339 HD1 PHE 41 HD1 PHE 41 0.309 6.281 3.860 340 HD2 PHE 41 HD2 PHE 41 0.400 9.908 1.646 341 HE1 PHE 41 HE1 PHE 41 2.503 6.817 4.840 342 HE2 PHE 41 HE2 PHE 41 2.597 10.453 2.612 343 HZ PHE 41 HZ PHE 41 3.651 8.906 4.214 344 H VAL 42 H VAL 42 -4.137 7.572 4.155 345 HA VAL 42 HA VAL 42 -5.643 6.171 2.292 346 HB VAL 42 HB VAL 42 -6.795 7.550 4.715 347 1HG1 VAL 42 2HG1 VAL 42 -8.361 6.457 3.127 348 2HG1 VAL 42 1HG1 VAL 42 -7.528 4.931 3.420 349 3HG1 VAL 42 3HG1 VAL 42 -8.371 5.743 4.739 350 1HG2 VAL 42 1HG2 VAL 42 -4.610 6.243 5.071 351 2HG2 VAL 42 3HG2 VAL 42 -5.986 5.873 6.107 352 3HG2 VAL 42 2HG2 VAL 42 -5.588 4.811 4.758 353 H GLY 43 H GLY 43 -6.758 6.832 0.590 354 1HA GLY 43 HA3 GLY 43 -8.253 9.350 0.739 355 2HA GLY 43 HA2 GLY 43 -8.505 8.067 -0.436 356 H LYS 44 H LYS 44 -5.300 9.162 0.299 357 HA LYS 44 HA LYS 44 -5.106 11.137 -1.733 358 1HB LYS 44 HB2 LYS 44 -2.952 9.570 -0.303 359 2HB LYS 44 HB3 LYS 44 -2.680 10.989 -1.297 360 1HG LYS 44 HG2 LYS 44 -4.135 12.276 0.272 361 2HG LYS 44 HG3 LYS 44 -4.173 10.849 1.309 362 1HD LYS 44 HD2 LYS 44 -2.478 12.335 2.129 363 2HD LYS 44 HD3 LYS 44 -1.686 10.932 1.408 364 1HE LYS 44 HE2 LYS 44 -0.558 13.000 0.776 365 2HE LYS 44 HE3 LYS 44 -1.264 12.204 -0.629 366 1HZ LYS 44 HZ2 LYS 44 -2.454 14.501 0.830 367 2HZ LYS 44 HZ1 LYS 44 -1.667 14.583 -0.664 368 3HZ LYS 44 HZ3 LYS 44 -3.126 13.738 -0.521 369 H ASP 45 H ASP 45 -3.289 10.872 -3.439 370 HA ASP 45 HA ASP 45 -4.066 8.734 -5.167 371 1HB ASP 45 HB2 ASP 45 -2.045 10.960 -5.390 372 2HB ASP 45 HB3 ASP 45 -2.287 9.766 -6.655 373 H VAL 46 H VAL 46 -0.881 9.745 -3.945 374 HA VAL 46 HA VAL 46 0.003 6.941 -4.128 375 HB VAL 46 HB VAL 46 1.215 8.614 -5.538 376 1HG1 VAL 46 3HG1 VAL 46 1.116 10.513 -4.022 377 2HG1 VAL 46 2HG1 VAL 46 2.151 9.665 -2.873 378 3HG1 VAL 46 1HG1 VAL 46 2.786 10.140 -4.448 379 1HG2 VAL 46 3HG2 VAL 46 2.828 7.234 -3.395 380 2HG2 VAL 46 2HG2 VAL 46 2.266 6.516 -4.904 381 3HG2 VAL 46 1HG2 VAL 46 3.458 7.815 -4.936 382 H LEU 47 H LEU 47 0.946 5.954 -2.424 383 HA LEU 47 HA LEU 47 0.565 7.198 0.175 384 1HB LEU 47 HB2 LEU 47 1.662 4.457 -0.204 385 2HB LEU 47 HB3 LEU 47 0.646 5.072 1.081 386 HG LEU 47 HG LEU 47 -0.277 4.520 -1.740 387 1HD1 LEU 47 1HD1 LEU 47 -0.674 2.951 0.804 388 2HD1 LEU 47 3HD1 LEU 47 -1.493 2.632 -0.726 389 3HD1 LEU 47 2HD1 LEU 47 0.259 2.453 -0.609 390 1HD2 LEU 47 2HD2 LEU 47 -1.808 5.299 0.737 391 2HD2 LEU 47 1HD2 LEU 47 -1.557 6.294 -0.698 392 3HD2 LEU 47 3HD2 LEU 47 -2.526 4.823 -0.804 393 H SER 48 H SER 48 3.115 5.469 -1.558 394 HA SER 48 HA SER 48 5.252 5.877 0.115 395 1HB SER 48 HB2 SER 48 6.635 5.415 -1.779 396 2HB SER 48 HB3 SER 48 5.156 4.487 -1.986 397 HG SER 48 HG SER 48 4.548 5.767 -3.599 398 H ASP 49 H ASP 49 7.280 7.228 -0.832 399 HA ASP 49 HA ASP 49 6.589 9.879 -1.714 400 1HB ASP 49 HB2 ASP 49 7.439 9.382 1.132 401 2HB ASP 49 HB3 ASP 49 7.710 10.931 0.340 402 H GLU 50 H GLU 50 9.270 9.225 0.425 403 HA GLU 50 HA GLU 50 11.099 9.148 -1.875 404 1HB GLU 50 HB2 GLU 50 12.613 10.639 -0.704 405 2HB GLU 50 HB3 GLU 50 11.031 11.394 -0.861 406 1HG GLU 50 HG2 GLU 50 10.504 10.832 1.438 407 2HG GLU 50 HG3 GLU 50 12.066 10.031 1.612 408 H ILE 51 H ILE 51 10.343 8.174 1.374 409 HA ILE 51 HA ILE 51 12.801 6.809 1.895 410 HB ILE 51 HB ILE 51 10.164 6.281 3.245 411 1HG1 ILE 51 2HG1 ILE 51 10.604 8.726 3.113 412 2HG1 ILE 51 3HG1 ILE 51 10.611 8.105 4.757 413 1HG2 ILE 51 3HG2 ILE 51 13.033 6.053 4.128 414 2HG2 ILE 51 2HG2 ILE 51 11.647 5.876 5.205 415 3HG2 ILE 51 1HG2 ILE 51 11.879 4.745 3.873 416 1HD1 ILE 51 2HD1 ILE 51 13.063 8.679 3.111 417 2HD1 ILE 51 1HD1 ILE 51 12.395 9.733 4.359 418 3HD1 ILE 51 3HD1 ILE 51 13.030 8.146 4.792 419 H LEU 52 H LEU 52 9.589 5.324 1.929 420 HA LEU 52 HA LEU 52 10.718 2.983 0.572 421 1HB LEU 52 HB2 LEU 52 8.673 3.411 2.617 422 2HB LEU 52 HB3 LEU 52 8.165 2.304 1.357 423 HG LEU 52 HG LEU 52 10.709 1.997 2.939 424 1HD1 LEU 52 2HD1 LEU 52 8.039 0.648 3.313 425 2HD1 LEU 52 1HD1 LEU 52 9.532 0.216 4.148 426 3HD1 LEU 52 3HD1 LEU 52 8.794 1.795 4.419 427 1HD2 LEU 52 2HD2 LEU 52 10.623 0.952 0.678 428 2HD2 LEU 52 1HD2 LEU 52 10.807 -0.202 2.000 429 3HD2 LEU 52 3HD2 LEU 52 9.238 0.008 1.222 430 H GLU 53 H GLU 53 10.407 2.889 -1.570 431 HA GLU 53 HA GLU 53 8.410 4.366 -2.941 432 1HB GLU 53 HB2 GLU 53 10.572 2.526 -3.626 433 2HB GLU 53 HB3 GLU 53 9.170 2.341 -4.669 434 1HG GLU 53 HG2 GLU 53 10.068 5.094 -4.167 435 2HG GLU 53 HG3 GLU 53 11.148 4.075 -5.113 436 H VAL 54 H VAL 54 6.673 3.537 -1.454 437 HA VAL 54 HA VAL 54 5.746 0.864 -1.770 438 HB VAL 54 HB VAL 54 4.145 3.195 -0.741 439 1HG1 VAL 54 1HG1 VAL 54 3.980 0.221 -0.284 440 2HG1 VAL 54 3HG1 VAL 54 2.990 1.428 0.533 441 3HG1 VAL 54 2HG1 VAL 54 2.852 1.211 -1.211 442 1HG2 VAL 54 3HG2 VAL 54 6.229 1.521 0.622 443 2HG2 VAL 54 2HG2 VAL 54 6.075 3.275 0.579 444 3HG2 VAL 54 1HG2 VAL 54 4.938 2.315 1.524 445 H VAL 55 H VAL 55 5.627 0.748 -4.100 446 HA VAL 55 HA VAL 55 3.652 2.321 -5.471 447 HB VAL 55 HB VAL 55 4.934 -0.238 -6.410 448 1HG1 VAL 55 3HG1 VAL 55 2.871 0.605 -7.569 449 2HG1 VAL 55 2HG1 VAL 55 3.800 2.034 -8.023 450 3HG1 VAL 55 1HG1 VAL 55 4.294 0.442 -8.601 451 1HG2 VAL 55 3HG2 VAL 55 6.665 1.381 -5.820 452 2HG2 VAL 55 2HG2 VAL 55 6.571 1.178 -7.570 453 3HG2 VAL 55 1HG2 VAL 55 5.868 2.604 -6.808 454 H CYS 56 H CYS 56 1.884 1.922 -4.131 455 HA CYS 56 HA CYS 56 0.801 -0.790 -4.077 456 1HB CYS 56 HB2 CYS 56 0.814 0.234 -1.926 457 2HB CYS 56 HB3 CYS 56 0.100 1.716 -2.552 458 HG CYS 56 HG CYS 56 -1.778 0.358 -0.959 459 H LYS 57 H LYS 57 -0.997 -1.388 -5.099 460 HA LYS 57 HA LYS 57 -2.524 0.674 -6.526 461 1HB LYS 57 HB2 LYS 57 -1.925 -2.082 -7.589 462 2HB LYS 57 HB3 LYS 57 -2.773 -0.794 -8.426 463 1HG LYS 57 HG2 LYS 57 -0.705 -0.641 -9.386 464 2HG LYS 57 HG3 LYS 57 -0.542 0.516 -8.064 465 1HD LYS 57 HD2 LYS 57 1.429 -0.796 -8.050 466 2HD LYS 57 HD3 LYS 57 0.445 -1.362 -6.698 467 1HE LYS 57 HE2 LYS 57 1.394 -3.247 -7.894 468 2HE LYS 57 HE3 LYS 57 -0.359 -3.224 -8.078 469 1HZ LYS 57 HZ3 LYS 57 -0.082 -2.227 -10.261 470 2HZ LYS 57 HZ2 LYS 57 1.600 -2.252 -10.086 471 3HZ LYS 57 HZ1 LYS 57 0.737 -3.705 -10.170 472 H TYR 58 H TYR 58 -4.456 0.747 -5.701 473 HA TYR 58 HA TYR 58 -5.595 -1.497 -4.285 474 1HB TYR 58 HB2 TYR 58 -5.816 0.894 -3.507 475 2HB TYR 58 HB3 TYR 58 -6.866 1.185 -4.890 476 HD1 TYR 58 HD1 TYR 58 -7.118 1.073 -1.617 477 HD2 TYR 58 HD2 TYR 58 -8.584 -1.191 -4.921 478 HE1 TYR 58 HE1 TYR 58 -9.071 0.375 -0.290 479 HE2 TYR 58 HE2 TYR 58 -10.517 -1.910 -3.599 480 HH TYR 58 HH TYR 58 -11.364 -0.434 -0.657 481 H THR 59 H THR 59 -6.383 -3.091 -5.498 482 HA THR 59 HA THR 59 -7.806 -2.450 -7.977 483 HB THR 59 HB THR 59 -7.105 -5.215 -6.994 484 HG1 THR 59 HG1 THR 59 -5.359 -4.648 -8.779 485 1HG2 THR 59 2HG2 THR 59 -8.753 -4.994 -8.832 486 2HG2 THR 59 1HG2 THR 59 -7.545 -4.123 -9.776 487 3HG2 THR 59 3HG2 THR 59 -7.273 -5.809 -9.337 488 HA PRO 60 HA PRO 60 -11.494 -3.485 -5.591 489 1HB PRO 60 HB2 PRO 60 -13.080 -1.641 -6.656 490 2HB PRO 60 HB3 PRO 60 -11.764 -1.164 -5.579 491 1HG PRO 60 HG2 PRO 60 -11.985 -0.923 -8.531 492 2HG PRO 60 HG3 PRO 60 -11.099 0.095 -7.382 493 1HD PRO 60 HD2 PRO 60 -10.076 -2.035 -8.992 494 2HD PRO 60 HD3 PRO 60 -9.204 -1.056 -7.796 495 H THR 61 H THR 61 -13.969 -3.427 -6.631 496 HA THR 61 HA THR 61 -13.990 -4.675 -9.251 497 HB THR 61 HB THR 61 -15.477 -6.192 -7.184 498 HG1 THR 61 HG1 THR 61 -13.346 -7.480 -7.098 499 1HG2 THR 61 1HG2 THR 61 -15.615 -6.746 -9.580 500 2HG2 THR 61 3HG2 THR 61 -13.878 -7.049 -9.593 501 3HG2 THR 61 2HG2 THR 61 -14.944 -8.070 -8.628 502 HA PRO 62 HA PRO 62 -17.912 -2.543 -9.093 503 1HB PRO 62 HB2 PRO 62 -18.544 -2.739 -11.665 504 2HB PRO 62 HB3 PRO 62 -17.144 -1.784 -11.163 505 1HG PRO 62 HG2 PRO 62 -17.248 -4.515 -12.367 506 2HG PRO 62 HG3 PRO 62 -16.076 -3.213 -12.635 507 1HD PRO 62 HD2 PRO 62 -15.743 -5.409 -10.911 508 2HD PRO 62 HD3 PRO 62 -14.763 -3.931 -10.928 509 H SER 63 H SER 63 -18.138 -4.976 -7.950 510 HA SER 63 HA SER 63 -20.757 -5.807 -8.738 511 1HB SER 63 HB2 SER 63 -19.174 -7.024 -10.344 512 2HB SER 63 HB3 SER 63 -18.627 -7.936 -8.938 513 HG SER 63 HG SER 63 -21.360 -7.808 -9.218 514 H SER 64 H SER 64 -21.345 -7.901 -7.417 515 HA SER 64 HA SER 64 -20.478 -7.378 -4.674 516 1HB SER 64 HB2 SER 64 -22.809 -9.001 -5.726 517 2HB SER 64 HB3 SER 64 -22.465 -8.699 -4.023 518 HG SER 64 HG SER 64 -22.848 -6.615 -5.898 519 H THR 65 H THR 65 -19.595 -9.336 -7.134 520 HA THR 65 HA THR 65 -19.426 -11.895 -5.979 521 HB THR 65 HB THR 65 -17.715 -12.364 -7.692 522 HG1 THR 65 HG1 THR 65 -16.730 -10.234 -7.603 523 1HG2 THR 65 1HG2 THR 65 -20.076 -12.454 -8.319 524 2HG2 THR 65 3HG2 THR 65 -20.042 -10.737 -8.724 525 3HG2 THR 65 2HG2 THR 65 -19.090 -11.884 -9.666 526 HA PRO 66 HA PRO 66 -16.034 -11.590 -3.163 527 1HB PRO 66 HB2 PRO 66 -14.803 -13.981 -3.442 528 2HB PRO 66 HB3 PRO 66 -16.396 -13.823 -2.698 529 1HG PRO 66 HG2 PRO 66 -15.684 -14.595 -5.504 530 2HG PRO 66 HG3 PRO 66 -16.846 -15.357 -4.400 531 1HD PRO 66 HD2 PRO 66 -17.618 -13.645 -6.342 532 2HD PRO 66 HD3 PRO 66 -18.456 -13.741 -4.780 533 H MET 67 H MET 67 -13.508 -12.873 -3.443 534 HA MET 67 HA MET 67 -12.045 -10.893 -4.771 535 1HB MET 67 HB2 MET 67 -11.170 -13.682 -4.006 536 2HB MET 67 HB3 MET 67 -10.095 -12.356 -4.424 537 1HG MET 67 HG2 MET 67 -10.879 -11.098 -2.491 538 2HG MET 67 HG3 MET 67 -11.977 -12.413 -2.076 539 1HE MET 67 HE3 MET 67 -11.183 -14.812 -1.275 540 2HE MET 67 HE2 MET 67 -10.214 -14.977 -2.739 541 3HE MET 67 HE1 MET 67 -9.490 -15.294 -1.163 542 H VAL 68 H VAL 68 -13.728 -13.520 -6.036 543 HA VAL 68 HA VAL 68 -12.037 -13.919 -8.349 544 HB VAL 68 HB VAL 68 -14.830 -14.950 -7.825 545 1HG1 VAL 68 2HG1 VAL 68 -12.750 -15.796 -9.839 546 2HG1 VAL 68 1HG1 VAL 68 -14.287 -16.611 -9.552 547 3HG1 VAL 68 3HG1 VAL 68 -14.266 -14.965 -10.188 548 1HG2 VAL 68 1HG2 VAL 68 -12.154 -16.266 -7.371 549 2HG2 VAL 68 3HG2 VAL 68 -13.277 -15.727 -6.123 550 3HG2 VAL 68 2HG2 VAL 68 -13.725 -17.050 -7.200 551 H GLY 69 H GLY 69 -11.957 -12.272 -9.760 552 1HA GLY 69 HA3 GLY 69 -14.144 -10.487 -10.210 553 2HA GLY 69 HA2 GLY 69 -13.993 -11.661 -11.508 554 H VAL 70 H VAL 70 -13.238 -8.615 -10.700 555 HA VAL 70 HA VAL 70 -10.827 -8.619 -12.393 556 HB VAL 70 HB VAL 70 -12.861 -7.520 -13.360 557 1HG1 VAL 70 2HG1 VAL 70 -12.432 -5.587 -11.089 558 2HG1 VAL 70 1HG1 VAL 70 -13.459 -5.277 -12.489 559 3HG1 VAL 70 3HG1 VAL 70 -13.853 -6.592 -11.381 560 1HG2 VAL 70 3HG2 VAL 70 -10.552 -6.932 -14.043 561 2HG2 VAL 70 2HG2 VAL 70 -11.698 -5.603 -14.224 562 3HG2 VAL 70 1HG2 VAL 70 -10.575 -5.621 -12.865 563 H GLY 71 H GLY 71 -11.167 -8.802 -9.381 564 1HA GLY 71 HA3 GLY 71 -9.905 -6.308 -8.523 565 2HA GLY 71 HA2 GLY 71 -8.978 -7.790 -8.361 566 H GLY 72 H GLY 72 -10.235 -5.791 -6.419 567 1HA GLY 72 HA3 GLY 72 -11.891 -7.677 -4.890 568 2HA GLY 72 HA2 GLY 72 -11.860 -5.936 -4.661 569 H ILE 73 H ILE 73 -8.776 -6.244 -4.919 570 HA ILE 73 HA ILE 73 -8.398 -6.824 -2.076 571 HB ILE 73 HB ILE 73 -6.306 -7.968 -2.492 572 1HG1 ILE 73 2HG1 ILE 73 -6.910 -8.295 -5.387 573 2HG1 ILE 73 3HG1 ILE 73 -6.118 -6.814 -4.850 574 1HG2 ILE 73 3HG2 ILE 73 -8.399 -9.239 -2.275 575 2HG2 ILE 73 2HG2 ILE 73 -8.506 -9.292 -4.035 576 3HG2 ILE 73 1HG2 ILE 73 -7.154 -10.072 -3.206 577 1HD1 ILE 73 2HD1 ILE 73 -4.347 -8.157 -3.813 578 2HD1 ILE 73 1HD1 ILE 73 -5.127 -9.622 -4.413 579 3HD1 ILE 73 3HD1 ILE 73 -4.476 -8.441 -5.551 580 H TYR 74 H TYR 74 -5.661 -6.476 -1.999 581 HA TYR 74 HA TYR 74 -5.153 -3.797 -3.058 582 1HB TYR 74 HB2 TYR 74 -4.390 -4.346 -0.224 583 2HB TYR 74 HB3 TYR 74 -4.813 -2.819 -0.996 584 HD1 TYR 74 HD1 TYR 74 -7.017 -1.973 -0.881 585 HD2 TYR 74 HD2 TYR 74 -6.246 -5.967 0.362 586 HE1 TYR 74 HE1 TYR 74 -9.279 -2.119 0.076 587 HE2 TYR 74 HE2 TYR 74 -8.502 -6.116 1.309 588 HH TYR 74 HH TYR 74 -10.244 -4.562 2.172 589 H VAL 75 H VAL 75 -3.318 -4.078 -4.222 590 HA VAL 75 HA VAL 75 -1.308 -5.951 -3.186 591 HB VAL 75 HB VAL 75 -2.047 -6.468 -5.451 592 1HG1 VAL 75 1HG1 VAL 75 -2.690 -4.193 -6.130 593 2HG1 VAL 75 3HG1 VAL 75 -0.983 -3.760 -6.232 594 3HG1 VAL 75 2HG1 VAL 75 -1.648 -4.981 -7.315 595 1HG2 VAL 75 2HG2 VAL 75 0.251 -6.978 -4.839 596 2HG2 VAL 75 1HG2 VAL 75 0.139 -6.542 -6.545 597 3HG2 VAL 75 3HG2 VAL 75 0.763 -5.377 -5.376 598 H VAL 76 H VAL 76 0.254 -5.061 -2.081 599 HA VAL 76 HA VAL 76 1.077 -2.307 -2.715 600 HB VAL 76 HB VAL 76 1.538 -3.843 -0.158 601 1HG1 VAL 76 1HG1 VAL 76 1.964 -0.945 -0.873 602 2HG1 VAL 76 3HG1 VAL 76 2.089 -1.614 0.755 603 3HG1 VAL 76 2HG1 VAL 76 3.208 -2.140 -0.504 604 1HG2 VAL 76 3HG2 VAL 76 -0.845 -3.421 -0.540 605 2HG2 VAL 76 2HG2 VAL 76 -0.222 -2.472 0.810 606 3HG2 VAL 76 1HG2 VAL 76 -0.502 -1.704 -0.752 607 H LEU 77 H LEU 77 3.010 -1.964 -3.590 608 HA LEU 77 HA LEU 77 5.065 -4.062 -3.365 609 1HB LEU 77 HB2 LEU 77 4.683 -1.906 -5.443 610 2HB LEU 77 HB3 LEU 77 6.097 -2.938 -5.358 611 HG LEU 77 HG LEU 77 3.257 -3.860 -5.849 612 1HD1 LEU 77 1HD1 LEU 77 4.196 -2.659 -7.749 613 2HD1 LEU 77 3HD1 LEU 77 5.628 -3.687 -7.702 614 3HD1 LEU 77 2HD1 LEU 77 4.056 -4.382 -8.098 615 1HD2 LEU 77 1HD2 LEU 77 4.976 -5.374 -4.600 616 2HD2 LEU 77 3HD2 LEU 77 4.004 -6.033 -5.917 617 3HD2 LEU 77 2HD2 LEU 77 5.678 -5.563 -6.208 618 H VAL 78 H VAL 78 6.256 -3.527 -1.616 619 HA VAL 78 HA VAL 78 6.936 -0.714 -1.198 620 HB VAL 78 HB VAL 78 8.080 -2.411 0.796 621 1HG1 VAL 78 2HG1 VAL 78 7.494 -0.057 1.098 622 2HG1 VAL 78 1HG1 VAL 78 5.783 -0.441 0.884 623 3HG1 VAL 78 3HG1 VAL 78 6.663 -1.062 2.284 624 1HG2 VAL 78 1HG2 VAL 78 6.391 -4.048 0.113 625 2HG2 VAL 78 3HG2 VAL 78 6.081 -3.424 1.732 626 3HG2 VAL 78 2HG2 VAL 78 5.130 -2.842 0.366 627 H LYS 79 H LYS 79 8.674 -0.005 -2.197 628 HA LYS 79 HA LYS 79 11.015 -1.779 -2.434 629 1HB LYS 79 HB2 LYS 79 9.873 0.295 -4.266 630 2HB LYS 79 HB3 LYS 79 11.590 -0.073 -4.333 631 1HG LYS 79 HG2 LYS 79 11.062 -2.423 -4.768 632 2HG LYS 79 HG3 LYS 79 9.333 -2.036 -4.737 633 1HD LYS 79 HD2 LYS 79 11.338 -0.822 -6.642 634 2HD LYS 79 HD3 LYS 79 10.280 -2.180 -7.030 635 1HE LYS 79 HE2 LYS 79 8.322 -0.773 -6.598 636 2HE LYS 79 HE3 LYS 79 9.383 0.586 -6.226 637 1HZ LYS 79 HZ3 LYS 79 10.230 0.495 -8.487 638 2HZ LYS 79 HZ2 LYS 79 9.210 -0.805 -8.844 639 3HZ LYS 79 HZ1 LYS 79 8.552 0.711 -8.486 640 HA PRO 80 HA PRO 80 12.481 1.297 0.638 641 1HB PRO 80 HB2 PRO 80 14.953 -0.056 0.740 642 2HB PRO 80 HB3 PRO 80 13.624 -0.183 1.890 643 1HG PRO 80 HG2 PRO 80 14.373 -1.981 -0.343 644 2HG PRO 80 HG3 PRO 80 13.572 -2.360 1.191 645 1HD PRO 80 HD2 PRO 80 12.240 -2.306 -1.152 646 2HD PRO 80 HD3 PRO 80 11.482 -1.820 0.379 647 H ARG 81 H ARG 81 12.802 3.107 -0.523 648 HA ARG 81 HA ARG 81 14.566 3.312 -2.742 649 1HB ARG 81 HB2 ARG 81 12.665 4.974 -1.373 650 2HB ARG 81 HB3 ARG 81 14.144 5.881 -1.648 651 1HG ARG 81 HG2 ARG 81 14.013 5.462 -4.011 652 2HG ARG 81 HG3 ARG 81 12.624 4.397 -3.776 653 1HD ARG 81 HD2 ARG 81 11.292 6.246 -2.971 654 2HD ARG 81 HD3 ARG 81 12.684 7.329 -3.076 655 HE ARG 81 HE ARG 81 12.049 6.094 -5.579 656 1HH1 ARG 81 1HH1 ARG 81 11.245 8.718 -3.434 657 2HH1 ARG 81 2HH1 ARG 81 10.618 9.727 -4.694 658 1HH2 ARG 81 1HH2 ARG 81 11.226 7.416 -7.245 659 2HH2 ARG 81 2HH2 ARG 81 10.606 8.986 -6.860 660 H LYS 82 H LYS 82 14.812 4.189 0.676 661 HA LYS 82 HA LYS 82 17.637 4.891 0.256 662 1HB LYS 82 HB2 LYS 82 15.865 5.563 2.611 663 2HB LYS 82 HB3 LYS 82 17.500 6.145 2.335 664 1HG LYS 82 HG2 LYS 82 16.752 7.358 0.362 665 2HG LYS 82 HG3 LYS 82 15.111 6.754 0.606 666 1HD LYS 82 HD2 LYS 82 15.032 7.887 2.784 667 2HD LYS 82 HD3 LYS 82 16.658 8.515 2.507 668 1HE LYS 82 HE2 LYS 82 14.230 9.084 0.809 669 2HE LYS 82 HE3 LYS 82 14.948 10.185 1.985 670 1HZ LYS 82 HZ1 LYS 82 16.288 9.153 -0.457 671 2HZ LYS 82 HZ3 LYS 82 15.654 10.710 -0.262 672 3HZ LYS 82 HZ2 LYS 82 16.974 10.210 0.670 673 H ARG 83 H ARG 83 18.956 4.477 2.371 674 HA ARG 83 HA ARG 83 18.415 1.707 3.215 675 1HB ARG 83 HB2 ARG 83 21.093 3.096 3.044 676 2HB ARG 83 HB3 ARG 83 20.812 1.402 3.420 677 1HG ARG 83 HG2 ARG 83 20.089 0.938 1.212 678 2HG ARG 83 HG3 ARG 83 20.014 2.654 0.808 679 1HD ARG 83 HD2 ARG 83 22.432 2.828 1.058 680 2HD ARG 83 HD3 ARG 83 22.519 1.119 1.488 681 HE ARG 83 HE ARG 83 21.267 1.242 -0.973 682 1HH1 ARG 83 1HH1 ARG 83 24.357 2.129 0.372 683 2HH1 ARG 83 2HH1 ARG 83 25.216 1.891 -1.113 684 1HH2 ARG 83 1HH2 ARG 83 22.391 0.927 -2.932 685 2HH2 ARG 83 2HH2 ARG 83 24.099 1.208 -2.991 686 H GLY 84 H GLY 84 17.975 1.416 5.303 687 1HA GLY 84 HA3 GLY 84 18.197 3.608 7.159 688 2HA GLY 84 HA2 GLY 84 19.328 2.305 7.491 689 H HIS 85 H HIS 85 16.111 3.408 7.779 690 HA HIS 85 HA HIS 85 15.104 0.787 8.580 691 1HB HIS 85 HB2 HIS 85 16.091 1.742 10.618 692 2HB HIS 85 HB3 HIS 85 15.100 3.184 10.423 693 HD1 HIS 85 HD1 HIS 85 12.768 3.115 11.358 694 HD2 HIS 85 HD2 HIS 85 14.582 -0.623 11.291 695 HE1 HIS 85 HE1 HIS 85 11.226 1.596 12.640 696 HE2 HIS 85 HE2 HIS 85 12.389 -0.639 12.663 697 H HIS 86 H HIS 86 13.656 0.878 6.889 698 HA HIS 86 HA HIS 86 11.741 3.094 6.843 699 1HB HIS 86 HB2 HIS 86 12.114 0.843 4.857 700 2HB HIS 86 HB3 HIS 86 11.089 2.261 4.653 701 HD1 HIS 86 HD1 HIS 86 14.122 3.378 6.179 702 HD2 HIS 86 HD2 HIS 86 12.961 2.395 2.312 703 HE1 HIS 86 HE1 HIS 86 15.821 4.456 4.673 704 HE2 HIS 86 HE2 HIS 86 15.032 3.942 2.337 705 H THR 87 H THR 87 9.431 2.311 6.173 706 HA THR 87 HA THR 87 8.628 -0.232 7.255 707 HB THR 87 HB THR 87 7.730 2.269 8.694 708 HG1 THR 87 HG1 THR 87 9.067 1.645 10.310 709 1HG2 THR 87 3HG2 THR 87 6.007 0.523 8.537 710 2HG2 THR 87 2HG2 THR 87 7.136 -0.642 9.232 711 3HG2 THR 87 1HG2 THR 87 6.580 0.730 10.192 712 H LEU 88 H LEU 88 6.469 -0.770 6.815 713 HA LEU 88 HA LEU 88 5.110 1.050 4.938 714 1HB LEU 88 HB2 LEU 88 5.820 -0.939 3.803 715 2HB LEU 88 HB3 LEU 88 5.167 -1.959 5.067 716 HG LEU 88 HG LEU 88 2.875 -1.092 4.427 717 1HD1 LEU 88 1HD1 LEU 88 3.631 0.910 3.241 718 2HD1 LEU 88 3HD1 LEU 88 4.371 -0.108 2.007 719 3HD1 LEU 88 2HD1 LEU 88 2.620 -0.116 2.224 720 1HD2 LEU 88 2HD2 LEU 88 4.485 -2.659 2.427 721 2HD2 LEU 88 1HD2 LEU 88 3.572 -3.300 3.789 722 3HD2 LEU 88 3HD2 LEU 88 2.727 -2.553 2.435 723 H GLU 89 H GLU 89 3.924 2.106 6.546 724 HA GLU 89 HA GLU 89 2.346 0.677 8.441 725 1HB GLU 89 HB2 GLU 89 2.353 3.566 7.581 726 2HB GLU 89 HB3 GLU 89 1.362 2.930 8.887 727 1HG GLU 89 HG2 GLU 89 3.301 2.294 10.117 728 2HG GLU 89 HG3 GLU 89 4.358 2.781 8.797 729 H LEU 90 H LEU 90 0.945 -0.700 7.384 730 HA LEU 90 HA LEU 90 -1.039 0.547 5.610 731 1HB LEU 90 HB2 LEU 90 -0.246 -2.331 6.006 732 2HB LEU 90 HB3 LEU 90 -1.690 -1.867 5.133 733 HG LEU 90 HG LEU 90 1.135 -1.118 4.373 734 1HD1 LEU 90 1HD1 LEU 90 -0.799 -3.120 3.220 735 2HD1 LEU 90 3HD1 LEU 90 0.695 -2.607 2.437 736 3HD1 LEU 90 2HD1 LEU 90 0.757 -3.455 3.981 737 1HD2 LEU 90 2HD2 LEU 90 -1.489 -0.594 2.982 738 2HD2 LEU 90 1HD2 LEU 90 -0.439 0.612 3.726 739 3HD2 LEU 90 3HD2 LEU 90 0.109 -0.279 2.306 740 H VAL 91 H VAL 91 -3.088 0.782 6.238 741 HA VAL 91 HA VAL 91 -3.988 -0.627 8.659 742 HB VAL 91 HB VAL 91 -3.279 1.663 9.246 743 1HG1 VAL 91 2HG1 VAL 91 -5.378 2.466 7.235 744 2HG1 VAL 91 1HG1 VAL 91 -4.667 3.565 8.419 745 3HG1 VAL 91 3HG1 VAL 91 -3.649 2.819 7.188 746 1HG2 VAL 91 2HG2 VAL 91 -6.241 1.128 9.416 747 2HG2 VAL 91 1HG2 VAL 91 -5.001 0.662 10.583 748 3HG2 VAL 91 3HG2 VAL 91 -5.393 2.365 10.345 749 H TYR 92 H TYR 92 -6.253 -0.897 8.857 750 HA TYR 92 HA TYR 92 -7.685 -0.868 6.306 751 1HB TYR 92 HB2 TYR 92 -7.480 -2.922 7.881 752 2HB TYR 92 HB3 TYR 92 -8.686 -2.100 8.863 753 HD1 TYR 92 HD1 TYR 92 -10.430 -3.686 8.651 754 HD2 TYR 92 HD2 TYR 92 -8.616 -2.060 5.164 755 HE1 TYR 92 HE1 TYR 92 -12.211 -4.670 7.272 756 HE2 TYR 92 HE2 TYR 92 -10.393 -3.038 3.776 757 HH TYR 92 HH TYR 92 -13.252 -4.330 5.093 758 H THR 93 H THR 93 -8.257 1.322 6.173 759 HA THR 93 HA THR 93 -10.192 2.239 8.204 760 HB THR 93 HB THR 93 -8.106 3.412 8.562 761 HG1 THR 93 HG1 THR 93 -9.365 5.487 7.323 762 1HG2 THR 93 2HG2 THR 93 -8.190 3.606 5.618 763 2HG2 THR 93 1HG2 THR 93 -7.633 5.055 6.463 764 3HG2 THR 93 3HG2 THR 93 -6.808 3.514 6.711 765 H ARG 94 H ARG 94 -11.825 3.633 7.522 766 HA ARG 94 HA ARG 94 -12.544 3.406 4.719 767 1HB ARG 94 HB2 ARG 94 -14.017 4.693 7.027 768 2HB ARG 94 HB3 ARG 94 -14.674 4.426 5.419 769 1HG ARG 94 HG2 ARG 94 -14.507 2.023 5.731 770 2HG ARG 94 HG3 ARG 94 -13.805 2.271 7.330 771 1HD ARG 94 HD2 ARG 94 -16.175 1.746 7.499 772 2HD ARG 94 HD3 ARG 94 -15.853 3.387 8.060 773 HE ARG 94 HE ARG 94 -16.550 3.463 5.340 774 1HH1 ARG 94 1HH1 ARG 94 -17.971 2.827 8.458 775 2HH1 ARG 94 2HH1 ARG 94 -19.556 3.336 7.982 776 1HH2 ARG 94 1HH2 ARG 94 -18.634 4.135 4.706 777 2HH2 ARG 94 2HH2 ARG 94 -19.934 4.079 5.849 778 HA PRO 95 HA PRO 95 -10.250 7.303 4.057 779 1HB PRO 95 HB2 PRO 95 -11.337 7.398 1.433 780 2HB PRO 95 HB3 PRO 95 -9.718 6.889 1.910 781 1HG PRO 95 HG2 PRO 95 -12.098 5.252 1.285 782 2HG PRO 95 HG3 PRO 95 -10.382 4.848 1.128 783 1HD PRO 95 HD2 PRO 95 -11.927 3.801 3.058 784 2HD PRO 95 HD3 PRO 95 -10.215 4.177 3.314 785 H PHE 96 H PHE 96 -13.635 6.688 3.182 786 HA PHE 96 HA PHE 96 -14.241 9.515 3.166 787 1HB PHE 96 HB2 PHE 96 -16.631 8.415 2.876 788 2HB PHE 96 HB3 PHE 96 -15.504 8.526 1.535 789 HD1 PHE 96 HD1 PHE 96 -17.004 6.291 4.035 790 HD2 PHE 96 HD2 PHE 96 -14.530 6.569 0.584 791 HE1 PHE 96 HE1 PHE 96 -17.133 3.850 3.751 792 HE2 PHE 96 HE2 PHE 96 -14.655 4.129 0.292 793 HZ PHE 96 HZ PHE 96 -15.957 2.766 1.878 794 H GLU 97 H GLU 97 -13.476 7.907 5.666 795 HA GLU 97 HA GLU 97 -15.490 9.117 7.380 796 1HB GLU 97 HB2 GLU 97 -14.914 6.159 7.345 797 2HB GLU 97 HB3 GLU 97 -15.635 6.963 8.730 798 1HG GLU 97 HG2 GLU 97 -16.809 7.014 5.961 799 2HG GLU 97 HG3 GLU 97 -17.253 5.843 7.202 800 H GLY 98 H GLY 98 -12.349 8.618 6.674 801 1HA GLY 98 HA3 GLY 98 -11.482 9.534 9.269 802 2HA GLY 98 HA2 GLY 98 -10.462 9.287 7.856 803 H ILE 99 H ILE 99 -9.214 8.515 9.932 804 HA ILE 99 HA ILE 99 -9.478 5.593 9.941 805 HB ILE 99 HB ILE 99 -7.040 7.095 10.829 806 1HG1 ILE 99 2HG1 ILE 99 -7.589 6.130 8.017 807 2HG1 ILE 99 3HG1 ILE 99 -7.762 7.810 8.517 808 1HG2 ILE 99 3HG2 ILE 99 -7.753 4.295 10.134 809 2HG2 ILE 99 2HG2 ILE 99 -6.119 4.851 9.759 810 3HG2 ILE 99 1HG2 ILE 99 -6.714 4.913 11.419 811 1HD1 ILE 99 3HD1 ILE 99 -5.385 7.866 9.097 812 2HD1 ILE 99 2HD1 ILE 99 -5.222 6.193 8.563 813 3HD1 ILE 99 1HD1 ILE 99 -5.644 7.453 7.402 814 H LYS 100 H LYS 100 -9.103 4.415 11.867 815 HA LYS 100 HA LYS 100 -9.358 5.910 14.374 816 1HB LYS 100 HB2 LYS 100 -11.114 3.605 13.529 817 2HB LYS 100 HB3 LYS 100 -11.106 4.324 15.122 818 1HG LYS 100 HG2 LYS 100 -11.930 6.401 14.272 819 2HG LYS 100 HG3 LYS 100 -11.743 5.845 12.607 820 1HD LYS 100 HD2 LYS 100 -13.494 4.334 14.504 821 2HD LYS 100 HD3 LYS 100 -14.093 5.802 13.728 822 1HE LYS 100 HE2 LYS 100 -13.687 4.861 11.540 823 2HE LYS 100 HE3 LYS 100 -12.955 3.426 12.261 824 1HZ LYS 100 HZ1 LYS 100 -15.087 2.890 13.266 825 2HZ LYS 100 HZ3 LYS 100 -15.787 4.266 12.574 826 3HZ LYS 100 HZ2 LYS 100 -15.234 3.010 11.586 827 HA PRO 101 HA PRO 101 -6.497 3.002 16.025 828 1HB PRO 101 HB2 PRO 101 -7.406 2.592 18.547 829 2HB PRO 101 HB3 PRO 101 -6.657 4.108 18.033 830 1HG PRO 101 HG2 PRO 101 -9.558 3.432 18.330 831 2HG PRO 101 HG3 PRO 101 -8.699 4.910 18.799 832 1HD PRO 101 HD2 PRO 101 -10.177 4.725 16.533 833 2HD PRO 101 HD3 PRO 101 -8.746 5.768 16.670 834 H GLU 102 H GLU 102 -9.883 2.132 16.608 835 HA GLU 102 HA GLU 102 -9.461 -0.583 17.178 836 1HB GLU 102 HB2 GLU 102 -11.869 -0.848 16.548 837 2HB GLU 102 HB3 GLU 102 -11.554 0.398 17.751 838 1HG GLU 102 HG2 GLU 102 -11.659 2.096 16.013 839 2HG GLU 102 HG3 GLU 102 -11.992 0.849 14.818 840 H ASN 103 H ASN 103 -9.488 1.173 14.216 841 HA ASN 103 HA ASN 103 -10.152 -0.774 12.359 842 1HB ASN 103 HB2 ASN 103 -8.235 1.546 12.222 843 2HB ASN 103 HB3 ASN 103 -8.560 0.520 10.829 844 1HD2 ASN 103 1HD2 ASN 103 -11.046 1.145 13.154 845 2HD2 ASN 103 2HD2 ASN 103 -11.988 2.204 12.167 846 H GLU 104 H GLU 104 -8.978 -2.261 11.141 847 HA GLU 104 HA GLU 104 -7.116 -3.829 12.467 848 1HB GLU 104 HB2 GLU 104 -8.595 -4.110 10.224 849 2HB GLU 104 HB3 GLU 104 -7.012 -3.846 9.510 850 1HG GLU 104 HG2 GLU 104 -6.121 -5.759 10.457 851 2HG GLU 104 HG3 GLU 104 -7.395 -5.873 11.670 852 H ARG 105 H ARG 105 -4.883 -4.333 11.744 853 HA ARG 105 HA ARG 105 -3.439 -1.957 10.779 854 1HB ARG 105 HB2 ARG 105 -3.341 -2.145 13.280 855 2HB ARG 105 HB3 ARG 105 -2.544 -3.695 13.083 856 1HG ARG 105 HG2 ARG 105 -0.736 -2.334 13.407 857 2HG ARG 105 HG3 ARG 105 -0.857 -2.303 11.646 858 1HD ARG 105 HD2 ARG 105 -0.554 -0.058 12.456 859 2HD ARG 105 HD3 ARG 105 -2.186 -0.230 11.805 860 HE ARG 105 HE ARG 105 -2.283 -0.777 14.537 861 1HH1 ARG 105 1HH1 ARG 105 -1.649 1.913 12.414 862 2HH1 ARG 105 2HH1 ARG 105 -2.209 3.103 13.542 863 1HH2 ARG 105 1HH2 ARG 105 -3.024 0.784 16.028 864 2HH2 ARG 105 2HH2 ARG 105 -2.990 2.461 15.595 865 H TYR 106 H TYR 106 -1.248 -2.440 10.040 866 HA TYR 106 HA TYR 106 -0.240 -5.040 9.709 867 1HB TYR 106 HB2 TYR 106 -2.114 -5.217 8.101 868 2HB TYR 106 HB3 TYR 106 -1.442 -3.860 7.196 869 HD1 TYR 106 HD1 TYR 106 -0.946 -7.363 8.187 870 HD2 TYR 106 HD2 TYR 106 0.424 -4.183 5.721 871 HE1 TYR 106 HE1 TYR 106 0.419 -8.951 6.913 872 HE2 TYR 106 HE2 TYR 106 1.797 -5.765 4.436 873 HH TYR 106 HH TYR 106 2.837 -7.976 4.743 874 H THR 107 H THR 107 1.356 -3.628 10.676 875 HA THR 107 HA THR 107 2.628 -1.721 8.864 876 HB THR 107 HB THR 107 3.473 -2.312 11.694 877 HG1 THR 107 HG1 THR 107 1.640 -0.273 10.950 878 1HG2 THR 107 3HG2 THR 107 5.001 -0.974 10.332 879 2HG2 THR 107 2HG2 THR 107 3.693 0.147 9.957 880 3HG2 THR 107 1HG2 THR 107 4.280 -0.002 11.613 881 H LEU 108 H LEU 108 3.975 -2.652 7.455 882 HA LEU 108 HA LEU 108 5.604 -4.924 8.278 883 1HB LEU 108 HB2 LEU 108 4.487 -5.127 6.151 884 2HB LEU 108 HB3 LEU 108 5.170 -3.617 5.597 885 HG LEU 108 HG LEU 108 7.381 -4.582 5.492 886 1HD1 LEU 108 2HD1 LEU 108 6.115 -7.084 6.599 887 2HD1 LEU 108 1HD1 LEU 108 7.771 -6.945 6.008 888 3HD1 LEU 108 3HD1 LEU 108 7.264 -6.035 7.430 889 1HD2 LEU 108 1HD2 LEU 108 5.335 -6.402 4.240 890 2HD2 LEU 108 3HD2 LEU 108 5.947 -4.896 3.556 891 3HD2 LEU 108 2HD2 LEU 108 7.029 -6.272 3.768 892 H HIS 109 H HIS 109 7.131 -4.008 9.622 893 HA HIS 109 HA HIS 109 8.663 -1.718 8.842 894 1HB HIS 109 HB2 HIS 109 8.749 -3.627 11.126 895 2HB HIS 109 HB3 HIS 109 10.131 -2.596 10.821 896 HD1 HIS 109 HD1 HIS 109 9.969 -0.217 11.631 897 HD2 HIS 109 HD2 HIS 109 6.324 -2.216 11.747 898 HE1 HIS 109 HE1 HIS 109 8.401 1.317 12.863 899 HE2 HIS 109 HE2 HIS 109 6.181 0.126 12.843 900 H LEU 110 H LEU 110 10.895 -1.679 8.364 901 HA LEU 110 HA LEU 110 12.172 -4.146 7.529 902 1HB LEU 110 HB2 LEU 110 11.587 -1.888 5.614 903 2HB LEU 110 HB3 LEU 110 12.671 -3.220 5.266 904 HG LEU 110 HG LEU 110 9.709 -3.497 5.821 905 1HD1 LEU 110 2HD1 LEU 110 11.221 -3.601 3.216 906 2HD1 LEU 110 1HD1 LEU 110 9.508 -3.962 3.428 907 3HD1 LEU 110 3HD1 LEU 110 10.110 -2.329 3.725 908 1HD2 LEU 110 2HD2 LEU 110 11.160 -5.453 6.412 909 2HD2 LEU 110 1HD2 LEU 110 9.942 -5.775 5.177 910 3HD2 LEU 110 3HD2 LEU 110 11.625 -5.536 4.713 911 H ASN 111 H ASN 111 14.150 -4.035 8.365 912 HA ASN 111 HA ASN 111 15.390 -1.464 8.891 913 1HB ASN 111 HB2 ASN 111 15.513 -3.253 10.590 914 2HB ASN 111 HB3 ASN 111 16.388 -4.270 9.450 915 1HD2 ASN 111 1HD2 ASN 111 18.176 -4.423 10.780 916 2HD2 ASN 111 2HD2 ASN 111 19.261 -3.102 11.031 917 H VAL 112 H VAL 112 15.348 -1.131 6.500 918 HA VAL 112 HA VAL 112 16.769 -2.524 4.616 919 HB VAL 112 HB VAL 112 16.903 0.466 4.580 920 1HG1 VAL 112 1HG1 VAL 112 17.814 -0.902 2.728 921 2HG1 VAL 112 3HG1 VAL 112 16.195 -1.550 2.461 922 3HG1 VAL 112 2HG1 VAL 112 16.506 0.170 2.225 923 1HG2 VAL 112 3HG2 VAL 112 14.405 -1.191 4.315 924 2HG2 VAL 112 2HG2 VAL 112 14.699 0.160 5.408 925 3HG2 VAL 112 1HG2 VAL 112 14.555 0.444 3.675 926 H LYS 113 H LYS 113 18.831 -3.105 4.472 927 HA LYS 113 HA LYS 113 20.836 -2.139 6.212 928 1HB LYS 113 HB2 LYS 113 20.997 -3.808 3.701 929 2HB LYS 113 HB3 LYS 113 22.361 -3.494 4.759 930 1HG LYS 113 HG2 LYS 113 19.915 -4.625 5.985 931 2HG LYS 113 HG3 LYS 113 20.889 -5.681 4.961 932 1HD LYS 113 HD2 LYS 113 21.692 -5.984 7.164 933 2HD LYS 113 HD3 LYS 113 22.884 -4.973 6.344 934 1HE LYS 113 HE2 LYS 113 22.417 -4.170 8.609 935 2HE LYS 113 HE3 LYS 113 21.951 -2.987 7.387 936 1HZ LYS 113 HZ2 LYS 113 20.103 -4.844 8.785 937 2HZ LYS 113 HZ1 LYS 113 20.269 -3.192 9.105 938 3HZ LYS 113 HZ3 LYS 113 19.657 -3.709 7.614 No H/Q in entry = 938 Start of MODEL 38 1 H1 GLY -2 HT2 GLY -2 -10.708 3.380 23.323 2 H2 GLY -2 HT1 GLY -2 -12.240 2.778 22.936 3 H3 GLY -2 HT3 GLY -2 -11.672 2.687 24.528 4 1HA GLY -2 HA2 GLY -2 -10.535 1.250 22.192 5 2HA GLY -2 HA3 GLY -2 -11.536 0.531 23.444 6 H SER -1 H SER -1 -9.497 -0.868 23.414 7 HA SER -1 HA SER -1 -7.294 0.296 24.933 8 1HB SER -1 HB2 SER -1 -7.380 -1.501 26.625 9 2HB SER -1 HB3 SER -1 -8.840 -0.511 26.655 10 HG SER -1 HG SER -1 -9.324 -2.440 24.959 11 H HIS 0 H HIS 0 -5.515 -1.375 25.248 12 HA HIS 0 HA HIS 0 -5.159 -2.774 22.711 13 1HB HIS 0 HB2 HIS 0 -3.179 -2.165 24.917 14 2HB HIS 0 HB3 HIS 0 -2.785 -2.920 23.376 15 HD1 HIS 0 HD1 HIS 0 -3.221 0.340 24.986 16 HD2 HIS 0 HD2 HIS 0 -3.106 -1.149 21.108 17 HE1 HIS 0 HE1 HIS 0 -2.865 2.342 23.507 18 HE2 HIS 0 HE2 HIS 0 -2.885 1.427 21.159 19 H MET 1 H MET 1 -6.331 -3.504 25.685 20 HA MET 1 HA MET 1 -6.714 -5.421 26.843 21 1HB MET 1 HB2 MET 1 -5.963 -6.716 24.215 22 2HB MET 1 HB3 MET 1 -6.767 -7.525 25.553 23 1HG MET 1 HG2 MET 1 -7.865 -5.221 23.957 24 2HG MET 1 HG3 MET 1 -8.343 -6.912 23.813 25 1HE MET 1 HE3 MET 1 -8.342 -7.843 26.859 26 2HE MET 1 HE2 MET 1 -10.030 -7.572 27.288 27 3HE MET 1 HE1 MET 1 -9.619 -8.259 25.717 28 H ILE 2 H ILE 2 -5.584 -7.858 27.021 29 HA ILE 2 HA ILE 2 -3.072 -7.278 28.258 30 HB ILE 2 HB ILE 2 -2.997 -9.704 28.756 31 1HG1 ILE 2 2HG1 ILE 2 -5.649 -9.797 27.300 32 2HG1 ILE 2 3HG1 ILE 2 -4.139 -10.449 26.672 33 1HG2 ILE 2 3HG2 ILE 2 -4.131 -8.160 30.262 34 2HG2 ILE 2 2HG2 ILE 2 -5.632 -8.367 29.358 35 3HG2 ILE 2 1HG2 ILE 2 -4.940 -9.727 30.240 36 1HD1 ILE 2 3HD1 ILE 2 -4.044 -12.019 28.538 37 2HD1 ILE 2 2HD1 ILE 2 -5.565 -11.372 29.154 38 3HD1 ILE 2 1HD1 ILE 2 -5.526 -12.202 27.599 39 H ALA 3 H ALA 3 -4.086 -8.736 25.241 40 HA ALA 3 HA ALA 3 -1.492 -8.415 24.099 41 1HB ALA 3 HB1 ALA 3 -2.435 -11.245 24.555 42 2HB ALA 3 HB2 ALA 3 -1.083 -10.464 25.376 43 3HB ALA 3 HB3 ALA 3 -1.008 -10.759 23.639 44 HA PRO 4 HA PRO 4 -4.005 -8.281 20.467 45 1HB PRO 4 HB2 PRO 4 -2.180 -8.826 18.538 46 2HB PRO 4 HB3 PRO 4 -2.217 -7.290 19.412 47 1HG PRO 4 HG2 PRO 4 -0.471 -9.683 19.857 48 2HG PRO 4 HG3 PRO 4 -0.033 -7.965 19.854 49 1HD PRO 4 HD2 PRO 4 -0.422 -9.368 22.139 50 2HD PRO 4 HD3 PRO 4 -0.793 -7.638 22.005 51 H LEU 5 H LEU 5 -5.068 -9.579 18.958 52 HA LEU 5 HA LEU 5 -5.188 -12.352 19.583 53 1HB LEU 5 HB2 LEU 5 -6.403 -10.835 17.272 54 2HB LEU 5 HB3 LEU 5 -6.822 -12.471 17.742 55 HG LEU 5 HG LEU 5 -7.218 -10.043 19.494 56 1HD1 LEU 5 2HD1 LEU 5 -8.634 -9.926 17.513 57 2HD1 LEU 5 1HD1 LEU 5 -9.216 -11.562 17.825 58 3HD1 LEU 5 3HD1 LEU 5 -9.588 -10.261 18.958 59 1HD2 LEU 5 2HD2 LEU 5 -6.941 -12.119 20.738 60 2HD2 LEU 5 1HD2 LEU 5 -8.605 -11.543 20.832 61 3HD2 LEU 5 3HD2 LEU 5 -8.194 -12.882 19.760 62 H SER 6 H SER 6 -4.922 -14.108 18.030 63 HA SER 6 HA SER 6 -2.538 -13.676 16.377 64 1HB SER 6 HB2 SER 6 -3.763 -16.247 17.410 65 2HB SER 6 HB3 SER 6 -2.277 -16.133 16.467 66 HG SER 6 HG SER 6 -2.234 -14.481 18.619 67 H VAL 7 H VAL 7 -5.763 -13.650 15.967 68 HA VAL 7 HA VAL 7 -5.869 -15.216 13.519 69 HB VAL 7 HB VAL 7 -8.237 -14.594 13.437 70 1HG1 VAL 7 1HG1 VAL 7 -7.579 -16.543 14.742 71 2HG1 VAL 7 3HG1 VAL 7 -7.355 -15.527 16.167 72 3HG1 VAL 7 2HG1 VAL 7 -8.964 -15.735 15.476 73 1HG2 VAL 7 1HG2 VAL 7 -7.634 -12.979 15.913 74 2HG2 VAL 7 3HG2 VAL 7 -8.089 -12.342 14.333 75 3HG2 VAL 7 2HG2 VAL 7 -9.244 -13.295 15.264 76 H LYS 8 H LYS 8 -4.414 -12.504 14.045 77 HA LYS 8 HA LYS 8 -5.382 -11.212 11.592 78 1HB LYS 8 HB2 LYS 8 -4.369 -9.087 12.731 79 2HB LYS 8 HB3 LYS 8 -5.992 -9.619 13.144 80 1HG LYS 8 HG2 LYS 8 -4.975 -10.843 15.095 81 2HG LYS 8 HG3 LYS 8 -3.465 -10.006 14.727 82 1HD LYS 8 HD2 LYS 8 -6.074 -8.590 15.245 83 2HD LYS 8 HD3 LYS 8 -4.877 -8.923 16.498 84 1HE LYS 8 HE2 LYS 8 -4.380 -7.323 13.991 85 2HE LYS 8 HE3 LYS 8 -4.684 -6.643 15.588 86 1HZ LYS 8 HZ3 LYS 8 -2.392 -8.386 14.859 87 2HZ LYS 8 HZ2 LYS 8 -2.324 -6.712 15.094 88 3HZ LYS 8 HZ1 LYS 8 -2.683 -7.734 16.393 89 H ASP 9 H ASP 9 -2.598 -11.114 13.743 90 HA ASP 9 HA ASP 9 -0.360 -10.962 13.357 91 1HB ASP 9 HB2 ASP 9 -0.497 -13.255 12.851 92 2HB ASP 9 HB3 ASP 9 -1.239 -12.956 11.284 93 H ASN 10 H ASN 10 0.092 -8.925 12.789 94 HA ASN 10 HA ASN 10 0.218 -8.325 9.921 95 1HB ASN 10 HB2 ASN 10 -0.141 -5.872 10.996 96 2HB ASN 10 HB3 ASN 10 -1.446 -6.872 10.367 97 1HD2 ASN 10 1HD2 ASN 10 0.048 -5.531 13.161 98 2HD2 ASN 10 2HD2 ASN 10 -1.153 -6.015 14.304 99 H ASP 11 H ASP 11 1.128 -6.577 12.824 100 HA ASP 11 HA ASP 11 3.318 -5.274 12.065 101 1HB ASP 11 HB2 ASP 11 4.146 -5.549 14.416 102 2HB ASP 11 HB3 ASP 11 2.484 -5.010 14.276 103 H LYS 12 H LYS 12 4.657 -6.166 10.608 104 HA LYS 12 HA LYS 12 6.132 -8.589 11.355 105 1HB LYS 12 HB2 LYS 12 5.018 -8.823 9.243 106 2HB LYS 12 HB3 LYS 12 5.623 -7.269 8.687 107 1HG LYS 12 HG2 LYS 12 6.869 -8.964 7.598 108 2HG LYS 12 HG3 LYS 12 7.918 -8.206 8.797 109 1HD LYS 12 HD2 LYS 12 7.679 -10.043 10.290 110 2HD LYS 12 HD3 LYS 12 6.386 -10.745 9.314 111 1HE LYS 12 HE2 LYS 12 7.927 -11.205 7.520 112 2HE LYS 12 HE3 LYS 12 9.225 -10.377 8.378 113 1HZ LYS 12 HZ1 LYS 12 7.855 -12.849 9.292 114 2HZ LYS 12 HZ3 LYS 12 9.398 -12.777 8.602 115 3HZ LYS 12 HZ2 LYS 12 9.111 -12.060 10.106 116 H TRP 13 H TRP 13 7.705 -7.719 12.666 117 HA TRP 13 HA TRP 13 9.291 -5.470 11.777 118 1HB TRP 13 HB2 TRP 13 9.850 -7.077 14.243 119 2HB TRP 13 HB3 TRP 13 10.067 -5.356 13.961 120 HD1 TRP 13 HD1 TRP 13 7.246 -7.903 14.605 121 HE1 TRP 13 HE1 TRP 13 5.241 -6.660 15.627 122 HE3 TRP 13 HE3 TRP 13 9.030 -3.117 14.338 123 HZ2 TRP 13 HZ2 TRP 13 4.493 -4.003 16.225 124 HZ3 TRP 13 HZ3 TRP 13 7.611 -1.285 15.165 125 HH2 TRP 13 HH2 TRP 13 5.395 -1.720 16.094 126 H VAL 14 H VAL 14 10.754 -5.938 10.210 127 HA VAL 14 HA VAL 14 12.815 -7.904 10.869 128 HB VAL 14 HB VAL 14 12.683 -8.914 8.560 129 1HG1 VAL 14 2HG1 VAL 14 11.966 -10.054 10.647 130 2HG1 VAL 14 1HG1 VAL 14 10.323 -9.491 10.341 131 3HG1 VAL 14 3HG1 VAL 14 11.105 -10.596 9.208 132 1HG2 VAL 14 2HG2 VAL 14 11.223 -7.228 7.557 133 2HG2 VAL 14 1HG2 VAL 14 10.542 -8.847 7.406 134 3HG2 VAL 14 3HG2 VAL 14 9.910 -7.736 8.620 135 H ASP 15 H ASP 15 14.275 -8.063 8.736 136 HA ASP 15 HA ASP 15 15.118 -5.306 8.215 137 1HB ASP 15 HB2 ASP 15 16.461 -7.949 8.394 138 2HB ASP 15 HB3 ASP 15 17.162 -6.766 7.290 139 H THR 16 H THR 16 16.478 -5.389 5.919 140 HA THR 16 HA THR 16 15.331 -6.899 3.828 141 HB THR 16 HB THR 16 13.458 -5.219 4.588 142 HG1 THR 16 HG1 THR 16 13.520 -6.633 2.675 143 1HG2 THR 16 1HG2 THR 16 14.906 -3.221 4.410 144 2HG2 THR 16 3HG2 THR 16 15.039 -3.507 2.675 145 3HG2 THR 16 2HG2 THR 16 13.473 -3.123 3.386 146 H HIS 17 H HIS 17 15.618 -5.568 1.630 147 HA HIS 17 HA HIS 17 18.311 -4.376 1.724 148 1HB HIS 17 HB2 HIS 17 17.011 -6.284 -0.168 149 2HB HIS 17 HB3 HIS 17 18.195 -5.156 -0.817 150 HD1 HIS 17 HD1 HIS 17 17.877 -8.319 1.002 151 HD2 HIS 17 HD2 HIS 17 20.830 -5.467 0.358 152 HE1 HIS 17 HE1 HIS 17 20.039 -9.431 1.648 153 HE2 HIS 17 HE2 HIS 17 21.820 -7.715 1.168 154 H VAL 18 H VAL 18 18.405 -3.355 -0.869 155 HA VAL 18 HA VAL 18 16.557 -1.111 -0.569 156 HB VAL 18 HB VAL 18 18.926 -0.571 -0.823 157 1HG1 VAL 18 3HG1 VAL 18 19.616 -2.475 -2.173 158 2HG1 VAL 18 2HG1 VAL 18 18.687 -1.860 -3.539 159 3HG1 VAL 18 1HG1 VAL 18 20.083 -0.960 -2.945 160 1HG2 VAL 18 3HG2 VAL 18 17.258 1.023 -1.619 161 2HG2 VAL 18 2HG2 VAL 18 18.715 1.083 -2.612 162 3HG2 VAL 18 1HG2 VAL 18 17.276 0.258 -3.209 163 H GLY 19 H GLY 19 14.999 -0.582 -1.940 164 1HA GLY 19 HA3 GLY 19 14.787 -1.198 -4.648 165 2HA GLY 19 HA2 GLY 19 13.451 -0.762 -3.603 166 H LYS 20 H LYS 20 14.355 -3.308 -1.995 167 HA LYS 20 HA LYS 20 13.754 -5.500 -3.673 168 1HB LYS 20 HB2 LYS 20 14.656 -5.211 -1.093 169 2HB LYS 20 HB3 LYS 20 13.036 -5.828 -0.847 170 1HG LYS 20 HG2 LYS 20 14.301 -7.748 -0.935 171 2HG LYS 20 HG3 LYS 20 13.693 -7.612 -2.589 172 1HD LYS 20 HD2 LYS 20 15.743 -6.806 -3.390 173 2HD LYS 20 HD3 LYS 20 16.305 -6.422 -1.768 174 1HE LYS 20 HE2 LYS 20 17.430 -8.408 -2.642 175 2HE LYS 20 HE3 LYS 20 16.436 -8.805 -1.240 176 1HZ LYS 20 HZ2 LYS 20 14.717 -9.614 -2.736 177 2HZ LYS 20 HZ1 LYS 20 15.675 -9.237 -4.079 178 3HZ LYS 20 HZ3 LYS 20 16.171 -10.438 -2.993 179 H THR 21 H THR 21 11.941 -4.729 -4.833 180 HA THR 21 HA THR 21 9.554 -3.782 -3.912 181 HB THR 21 HB THR 21 9.671 -5.818 -6.128 182 HG1 THR 21 HG1 THR 21 11.056 -4.512 -7.052 183 1HG2 THR 21 3HG2 THR 21 7.457 -4.976 -5.478 184 2HG2 THR 21 2HG2 THR 21 8.016 -3.322 -5.723 185 3HG2 THR 21 1HG2 THR 21 7.907 -4.429 -7.093 186 H THR 22 H THR 22 8.630 -4.583 -2.117 187 HA THR 22 HA THR 22 8.165 -7.460 -1.903 188 HB THR 22 HB THR 22 7.730 -5.224 0.089 189 HG1 THR 22 HG1 THR 22 9.910 -5.793 -0.186 190 1HG2 THR 22 3HG2 THR 22 6.061 -6.988 0.417 191 2HG2 THR 22 2HG2 THR 22 7.344 -8.197 0.454 192 3HG2 THR 22 1HG2 THR 22 7.243 -6.980 1.726 193 H GLU 23 H GLU 23 6.540 -7.952 -3.239 194 HA GLU 23 HA GLU 23 4.168 -6.378 -3.478 195 1HB GLU 23 HB2 GLU 23 5.125 -7.685 -5.340 196 2HB GLU 23 HB3 GLU 23 4.798 -9.166 -4.451 197 1HG GLU 23 HG2 GLU 23 2.452 -8.843 -4.609 198 2HG GLU 23 HG3 GLU 23 2.671 -7.208 -5.231 199 H ILE 24 H ILE 24 2.294 -6.607 -2.435 200 HA ILE 24 HA ILE 24 1.849 -9.027 -0.843 201 HB ILE 24 HB ILE 24 1.394 -6.240 0.189 202 1HG1 ILE 24 2HG1 ILE 24 3.530 -8.258 0.889 203 2HG1 ILE 24 3HG1 ILE 24 3.783 -6.731 0.055 204 1HG2 ILE 24 1HG2 ILE 24 -0.193 -7.899 1.030 205 2HG2 ILE 24 3HG2 ILE 24 1.149 -8.919 1.551 206 3HG2 ILE 24 2HG2 ILE 24 0.892 -7.346 2.307 207 1HD1 ILE 24 3HD1 ILE 24 3.043 -5.534 2.064 208 2HD1 ILE 24 2HD1 ILE 24 2.871 -7.078 2.898 209 3HD1 ILE 24 1HD1 ILE 24 4.460 -6.541 2.352 210 H HIS 25 H HIS 25 0.151 -9.846 -1.890 211 HA HIS 25 HA HIS 25 -2.037 -8.164 -2.768 212 1HB HIS 25 HB2 HIS 25 -2.110 -11.162 -2.752 213 2HB HIS 25 HB3 HIS 25 -2.878 -10.047 -3.870 214 HD1 HIS 25 HD1 HIS 25 -0.242 -12.380 -3.793 215 HD2 HIS 25 HD2 HIS 25 -0.682 -8.577 -5.406 216 HE1 HIS 25 HE1 HIS 25 1.522 -12.198 -5.575 217 HE2 HIS 25 HE2 HIS 25 1.141 -9.942 -6.629 218 H LEU 26 H LEU 26 -3.130 -7.381 -1.037 219 HA LEU 26 HA LEU 26 -3.834 -9.184 1.152 220 1HB LEU 26 HB2 LEU 26 -4.309 -6.227 0.862 221 2HB LEU 26 HB3 LEU 26 -4.596 -7.171 2.307 222 HG LEU 26 HG LEU 26 -1.854 -6.915 1.087 223 1HD1 LEU 26 3HD1 LEU 26 -3.108 -5.168 3.202 224 2HD1 LEU 26 2HD1 LEU 26 -1.412 -5.146 2.717 225 3HD1 LEU 26 1HD1 LEU 26 -2.663 -4.669 1.569 226 1HD2 LEU 26 1HD2 LEU 26 -2.319 -8.751 2.709 227 2HD2 LEU 26 3HD2 LEU 26 -1.087 -7.607 3.246 228 3HD2 LEU 26 2HD2 LEU 26 -2.718 -7.521 3.911 229 H LYS 27 H LYS 27 -5.942 -9.629 1.735 230 HA LYS 27 HA LYS 27 -7.898 -9.211 -0.400 231 1HB LYS 27 HB2 LYS 27 -8.280 -11.021 1.967 232 2HB LYS 27 HB3 LYS 27 -9.062 -11.093 0.397 233 1HG LYS 27 HG2 LYS 27 -7.584 -12.833 0.240 234 2HG LYS 27 HG3 LYS 27 -6.646 -11.525 -0.482 235 1HD LYS 27 HD2 LYS 27 -5.487 -11.173 1.632 236 2HD LYS 27 HD3 LYS 27 -6.453 -12.442 2.387 237 1HE LYS 27 HE2 LYS 27 -5.512 -14.080 0.833 238 2HE LYS 27 HE3 LYS 27 -4.548 -12.811 0.078 239 1HZ LYS 27 HZ1 LYS 27 -4.330 -13.692 2.907 240 2HZ LYS 27 HZ3 LYS 27 -3.250 -14.086 1.665 241 3HZ LYS 27 HZ2 LYS 27 -3.401 -12.481 2.177 242 H GLY 28 H GLY 28 -10.159 -8.825 0.260 243 1HA GLY 28 HA3 GLY 28 -10.314 -6.487 1.855 244 2HA GLY 28 HA2 GLY 28 -10.950 -7.861 2.742 245 H ASN 29 H ASN 29 -12.185 -5.373 1.530 246 HA ASN 29 HA ASN 29 -13.831 -6.152 -0.629 247 1HB ASN 29 HB2 ASN 29 -14.747 -7.631 1.194 248 2HB ASN 29 HB3 ASN 29 -15.243 -6.168 2.045 249 1HD2 ASN 29 1HD2 ASN 29 -17.405 -6.898 1.905 250 2HD2 ASN 29 2HD2 ASN 29 -18.305 -6.736 0.440 251 HA PRO 30 HA PRO 30 -13.599 -1.615 -0.167 252 1HB PRO 30 HB2 PRO 30 -14.859 -1.860 -2.848 253 2HB PRO 30 HB3 PRO 30 -13.473 -0.890 -2.341 254 1HG PRO 30 HG2 PRO 30 -13.131 -3.100 -3.783 255 2HG PRO 30 HG3 PRO 30 -12.007 -2.685 -2.477 256 1HD PRO 30 HD2 PRO 30 -14.206 -4.706 -2.515 257 2HD PRO 30 HD3 PRO 30 -12.597 -4.804 -1.774 258 H THR 31 H THR 31 -16.342 -3.505 -1.378 259 HA THR 31 HA THR 31 -18.302 -1.500 -1.047 260 HB THR 31 HB THR 31 -19.947 -3.325 -1.183 261 HG1 THR 31 HG1 THR 31 -18.896 -5.488 -1.568 262 1HG2 THR 31 1HG2 THR 31 -18.970 -2.454 -3.248 263 2HG2 THR 31 3HG2 THR 31 -17.656 -3.625 -3.129 264 3HG2 THR 31 2HG2 THR 31 -19.311 -4.178 -3.393 265 H THR 32 H THR 32 -16.716 -3.576 1.193 266 HA THR 32 HA THR 32 -18.682 -3.720 3.206 267 HB THR 32 HB THR 32 -15.672 -3.870 3.374 268 HG1 THR 32 HG1 THR 32 -17.738 -5.648 2.885 269 1HG2 THR 32 3HG2 THR 32 -17.724 -4.438 5.513 270 2HG2 THR 32 2HG2 THR 32 -16.017 -4.875 5.604 271 3HG2 THR 32 1HG2 THR 32 -16.492 -3.176 5.545 272 H GLY 33 H GLY 33 -15.948 -1.466 2.778 273 1HA GLY 33 HA3 GLY 33 -16.944 0.173 4.974 274 2HA GLY 33 HA2 GLY 33 -17.028 0.890 3.373 275 H TYR 34 H TYR 34 -14.719 -0.712 5.560 276 HA TYR 34 HA TYR 34 -12.876 1.406 5.484 277 1HB TYR 34 HB2 TYR 34 -12.485 -1.489 6.249 278 2HB TYR 34 HB3 TYR 34 -11.292 -0.225 6.522 279 HD1 TYR 34 HD1 TYR 34 -14.771 -1.231 7.357 280 HD2 TYR 34 HD2 TYR 34 -11.380 1.094 8.471 281 HE1 TYR 34 HE1 TYR 34 -15.840 -0.711 9.510 282 HE2 TYR 34 HE2 TYR 34 -12.443 1.617 10.623 283 HH TYR 34 HH TYR 34 -14.700 1.714 11.590 284 H MET 35 H MET 35 -10.438 0.720 4.961 285 HA MET 35 HA MET 35 -10.214 -0.546 2.360 286 1HB MET 35 HB2 MET 35 -10.425 1.556 1.458 287 2HB MET 35 HB3 MET 35 -9.905 2.352 2.937 288 1HG MET 35 HG2 MET 35 -7.585 1.628 2.449 289 2HG MET 35 HG3 MET 35 -8.159 0.990 0.926 290 1HE MET 35 HE3 MET 35 -10.334 3.109 0.084 291 2HE MET 35 HE2 MET 35 -9.414 4.267 -0.875 292 3HE MET 35 HE1 MET 35 -9.138 2.538 -1.078 293 H TRP 36 H TRP 36 -8.057 -1.117 1.850 294 HA TRP 36 HA TRP 36 -6.279 -1.161 4.186 295 1HB TRP 36 HB2 TRP 36 -6.873 -3.069 2.032 296 2HB TRP 36 HB3 TRP 36 -5.170 -2.896 2.412 297 HD1 TRP 36 HD1 TRP 36 -8.035 -4.905 3.375 298 HE1 TRP 36 HE1 TRP 36 -7.686 -6.008 5.677 299 HE3 TRP 36 HE3 TRP 36 -4.053 -2.152 4.995 300 HZ2 TRP 36 HZ2 TRP 36 -5.953 -5.740 7.883 301 HZ3 TRP 36 HZ3 TRP 36 -3.109 -2.637 7.209 302 HH2 TRP 36 HH2 TRP 36 -4.043 -4.392 8.624 303 H THR 37 H THR 37 -5.216 0.761 3.990 304 HA THR 37 HA THR 37 -3.406 0.984 1.693 305 HB THR 37 HB THR 37 -5.326 2.399 1.145 306 HG1 THR 37 HG1 THR 37 -3.555 3.362 0.355 307 1HG2 THR 37 3HG2 THR 37 -6.067 2.814 3.458 308 2HG2 THR 37 2HG2 THR 37 -4.675 3.867 3.703 309 3HG2 THR 37 1HG2 THR 37 -5.918 4.306 2.530 310 H ARG 38 H ARG 38 -2.104 3.357 2.345 311 HA ARG 38 HA ARG 38 -0.721 2.550 4.764 312 1HB ARG 38 HB2 ARG 38 -0.103 4.366 2.481 313 2HB ARG 38 HB3 ARG 38 0.697 4.663 4.011 314 1HG ARG 38 HG2 ARG 38 1.733 2.563 4.007 315 2HG ARG 38 HG3 ARG 38 0.727 1.996 2.672 316 1HD ARG 38 HD2 ARG 38 3.152 2.755 2.213 317 2HD ARG 38 HD3 ARG 38 1.894 3.212 1.101 318 HE ARG 38 HE ARG 38 1.972 5.425 2.075 319 1HH1 ARG 38 1HH1 ARG 38 4.543 3.257 2.983 320 2HH1 ARG 38 2HH1 ARG 38 5.678 4.525 3.304 321 1HH2 ARG 38 1HH2 ARG 38 3.481 7.106 2.474 322 2HH2 ARG 38 2HH2 ARG 38 5.075 6.707 3.017 323 H VAL 39 H VAL 39 -0.146 4.071 6.450 324 HA VAL 39 HA VAL 39 -2.423 5.514 7.392 325 HB VAL 39 HB VAL 39 0.386 5.494 8.508 326 1HG1 VAL 39 2HG1 VAL 39 -2.245 6.257 9.771 327 2HG1 VAL 39 1HG1 VAL 39 -0.701 6.140 10.615 328 3HG1 VAL 39 3HG1 VAL 39 -0.927 7.351 9.353 329 1HG2 VAL 39 2HG2 VAL 39 -0.835 3.257 8.245 330 2HG2 VAL 39 1HG2 VAL 39 -0.186 3.662 9.836 331 3HG2 VAL 39 3HG2 VAL 39 -1.910 3.850 9.511 332 H GLY 40 H GLY 40 -2.891 7.629 7.301 333 1HA GLY 40 HA3 GLY 40 -0.878 9.650 6.974 334 2HA GLY 40 HA2 GLY 40 -2.616 9.908 7.022 335 H PHE 41 H PHE 41 -2.306 7.597 4.800 336 HA PHE 41 HA PHE 41 -2.083 9.539 2.599 337 1HB PHE 41 HB2 PHE 41 -1.114 6.675 2.550 338 2HB PHE 41 HB3 PHE 41 -0.979 7.843 1.240 339 HD1 PHE 41 HD1 PHE 41 0.597 6.433 4.044 340 HD2 PHE 41 HD2 PHE 41 0.319 10.021 1.792 341 HE1 PHE 41 HE1 PHE 41 2.743 7.184 4.992 342 HE2 PHE 41 HE2 PHE 41 2.467 10.784 2.723 343 HZ PHE 41 HZ PHE 41 3.681 9.364 4.330 344 H VAL 42 H VAL 42 -4.018 7.505 4.255 345 HA VAL 42 HA VAL 42 -5.466 5.999 2.490 346 HB VAL 42 HB VAL 42 -6.711 7.655 4.683 347 1HG1 VAL 42 1HG1 VAL 42 -8.242 6.481 3.118 348 2HG1 VAL 42 3HG1 VAL 42 -7.501 4.958 3.607 349 3HG1 VAL 42 2HG1 VAL 42 -8.370 5.936 4.790 350 1HG2 VAL 42 3HG2 VAL 42 -4.630 6.365 5.335 351 2HG2 VAL 42 2HG2 VAL 42 -6.094 6.026 6.255 352 3HG2 VAL 42 1HG2 VAL 42 -5.558 4.905 5.005 353 H GLY 43 H GLY 43 -6.259 6.541 0.570 354 1HA GLY 43 HA3 GLY 43 -7.656 9.135 0.322 355 2HA GLY 43 HA2 GLY 43 -8.166 7.671 -0.507 356 H LYS 44 H LYS 44 -4.793 8.170 -0.306 357 HA LYS 44 HA LYS 44 -4.530 9.683 -2.731 358 1HB LYS 44 HB2 LYS 44 -2.461 8.200 -1.098 359 2HB LYS 44 HB3 LYS 44 -2.123 9.335 -2.393 360 1HG LYS 44 HG2 LYS 44 -3.245 11.107 -1.078 361 2HG LYS 44 HG3 LYS 44 -3.433 9.952 0.244 362 1HD LYS 44 HD2 LYS 44 -1.495 11.288 0.688 363 2HD LYS 44 HD3 LYS 44 -0.959 9.662 0.259 364 1HE LYS 44 HE2 LYS 44 0.423 11.352 -0.825 365 2HE LYS 44 HE3 LYS 44 -0.480 10.414 -2.014 366 1HZ LYS 44 HZ2 LYS 44 -2.083 12.218 -2.165 367 2HZ LYS 44 HZ1 LYS 44 -1.213 13.118 -1.027 368 3HZ LYS 44 HZ3 LYS 44 -0.526 12.768 -2.535 369 H ASP 45 H ASP 45 -2.292 8.312 -3.846 370 HA ASP 45 HA ASP 45 -3.608 5.914 -4.940 371 1HB ASP 45 HB2 ASP 45 -3.519 7.822 -6.536 372 2HB ASP 45 HB3 ASP 45 -1.764 7.803 -6.414 373 H VAL 46 H VAL 46 -0.416 7.453 -4.665 374 HA VAL 46 HA VAL 46 0.905 4.875 -4.774 375 HB VAL 46 HB VAL 46 2.185 7.555 -4.273 376 1HG1 VAL 46 3HG1 VAL 46 3.573 5.616 -3.766 377 2HG1 VAL 46 2HG1 VAL 46 3.271 4.967 -5.378 378 3HG1 VAL 46 1HG1 VAL 46 4.176 6.470 -5.187 379 1HG2 VAL 46 1HG2 VAL 46 0.857 7.645 -6.319 380 2HG2 VAL 46 3HG2 VAL 46 2.584 7.684 -6.668 381 3HG2 VAL 46 2HG2 VAL 46 1.669 6.196 -6.910 382 H LEU 47 H LEU 47 0.319 7.425 -2.423 383 HA LEU 47 HA LEU 47 0.299 7.394 -0.153 384 1HB LEU 47 HB2 LEU 47 1.283 4.576 -0.107 385 2HB LEU 47 HB3 LEU 47 0.289 5.416 1.060 386 HG LEU 47 HG LEU 47 -0.669 4.651 -1.692 387 1HD1 LEU 47 3HD1 LEU 47 -0.965 3.210 0.934 388 2HD1 LEU 47 2HD1 LEU 47 -1.935 2.868 -0.500 389 3HD1 LEU 47 1HD1 LEU 47 -0.189 2.617 -0.535 390 1HD2 LEU 47 3HD2 LEU 47 -2.129 5.585 0.772 391 2HD2 LEU 47 2HD2 LEU 47 -1.877 6.508 -0.709 392 3HD2 LEU 47 1HD2 LEU 47 -2.886 5.062 -0.733 393 H SER 48 H SER 48 3.017 5.665 -1.621 394 HA SER 48 HA SER 48 4.963 6.056 0.290 395 1HB SER 48 HB2 SER 48 6.513 5.518 -1.385 396 2HB SER 48 HB3 SER 48 5.030 4.744 -1.927 397 HG SER 48 HG SER 48 6.141 5.946 -3.578 398 H ASP 49 H ASP 49 7.068 7.426 -0.522 399 HA ASP 49 HA ASP 49 6.397 10.106 -1.350 400 1HB ASP 49 HB2 ASP 49 7.207 9.510 1.490 401 2HB ASP 49 HB3 ASP 49 7.437 11.096 0.758 402 H GLU 50 H GLU 50 9.020 9.256 0.819 403 HA GLU 50 HA GLU 50 10.909 9.346 -1.429 404 1HB GLU 50 HB2 GLU 50 12.391 10.757 -0.120 405 2HB GLU 50 HB3 GLU 50 10.817 11.525 -0.292 406 1HG GLU 50 HG2 GLU 50 10.212 10.763 1.959 407 2HG GLU 50 HG3 GLU 50 11.821 10.063 2.138 408 H ILE 51 H ILE 51 10.125 8.218 1.783 409 HA ILE 51 HA ILE 51 12.565 6.813 2.244 410 HB ILE 51 HB ILE 51 9.888 6.278 3.525 411 1HG1 ILE 51 2HG1 ILE 51 10.497 8.690 3.594 412 2HG1 ILE 51 3HG1 ILE 51 10.441 7.940 5.181 413 1HG2 ILE 51 2HG2 ILE 51 12.725 5.788 4.414 414 2HG2 ILE 51 1HG2 ILE 51 11.312 5.610 5.454 415 3HG2 ILE 51 3HG2 ILE 51 11.496 4.581 4.034 416 1HD1 ILE 51 3HD1 ILE 51 12.946 8.468 3.603 417 2HD1 ILE 51 2HD1 ILE 51 12.341 9.464 4.928 418 3HD1 ILE 51 1HD1 ILE 51 12.856 7.805 5.235 419 H LEU 52 H LEU 52 9.375 5.292 2.192 420 HA LEU 52 HA LEU 52 10.538 3.053 0.695 421 1HB LEU 52 HB2 LEU 52 8.408 3.329 2.718 422 2HB LEU 52 HB3 LEU 52 8.089 2.171 1.442 423 HG LEU 52 HG LEU 52 10.589 2.134 3.114 424 1HD1 LEU 52 1HD1 LEU 52 8.021 0.605 3.495 425 2HD1 LEU 52 3HD1 LEU 52 9.534 0.275 4.340 426 3HD1 LEU 52 2HD1 LEU 52 8.703 1.812 4.586 427 1HD2 LEU 52 1HD2 LEU 52 10.679 1.020 0.910 428 2HD2 LEU 52 3HD2 LEU 52 10.856 -0.102 2.260 429 3HD2 LEU 52 2HD2 LEU 52 9.320 0.008 1.399 430 H GLU 53 H GLU 53 10.217 3.103 -1.439 431 HA GLU 53 HA GLU 53 8.168 4.591 -2.707 432 1HB GLU 53 HB2 GLU 53 10.386 2.870 -3.505 433 2HB GLU 53 HB3 GLU 53 8.983 2.683 -4.548 434 1HG GLU 53 HG2 GLU 53 9.726 5.447 -3.924 435 2HG GLU 53 HG3 GLU 53 10.899 4.540 -4.875 436 H VAL 54 H VAL 54 6.446 3.655 -1.295 437 HA VAL 54 HA VAL 54 5.595 0.970 -1.732 438 HB VAL 54 HB VAL 54 3.921 3.199 -0.602 439 1HG1 VAL 54 2HG1 VAL 54 2.772 1.109 -1.159 440 2HG1 VAL 54 1HG1 VAL 54 3.899 0.221 -0.135 441 3HG1 VAL 54 3HG1 VAL 54 2.798 1.398 0.580 442 1HG2 VAL 54 1HG2 VAL 54 6.137 1.628 0.650 443 2HG2 VAL 54 3HG2 VAL 54 5.807 3.357 0.737 444 3HG2 VAL 54 2HG2 VAL 54 4.792 2.220 1.624 445 H VAL 55 H VAL 55 5.419 0.906 -4.044 446 HA VAL 55 HA VAL 55 3.454 2.552 -5.340 447 HB VAL 55 HB VAL 55 4.691 0.020 -6.396 448 1HG1 VAL 55 1HG1 VAL 55 2.650 0.942 -7.514 449 2HG1 VAL 55 3HG1 VAL 55 3.586 2.389 -7.887 450 3HG1 VAL 55 2HG1 VAL 55 4.072 0.830 -8.554 451 1HG2 VAL 55 3HG2 VAL 55 6.457 1.572 -5.737 452 2HG2 VAL 55 2HG2 VAL 55 6.355 1.455 -7.494 453 3HG2 VAL 55 1HG2 VAL 55 5.684 2.858 -6.662 454 H CYS 56 H CYS 56 1.686 2.132 -4.027 455 HA CYS 56 HA CYS 56 0.581 -0.566 -4.000 456 1HB CYS 56 HB2 CYS 56 0.603 0.590 -1.870 457 2HB CYS 56 HB3 CYS 56 -0.269 1.953 -2.562 458 HG CYS 56 HG CYS 56 -2.487 1.061 -1.626 459 H LYS 57 H LYS 57 -1.272 -1.149 -4.974 460 HA LYS 57 HA LYS 57 -2.747 0.886 -6.483 461 1HB LYS 57 HB2 LYS 57 -2.213 -1.850 -7.594 462 2HB LYS 57 HB3 LYS 57 -2.812 -0.431 -8.436 463 1HG LYS 57 HG2 LYS 57 -0.636 0.641 -8.211 464 2HG LYS 57 HG3 LYS 57 -0.026 -0.770 -7.345 465 1HD LYS 57 HD2 LYS 57 -0.455 -2.158 -9.323 466 2HD LYS 57 HD3 LYS 57 -1.033 -0.732 -10.189 467 1HE LYS 57 HE2 LYS 57 1.270 -1.233 -10.792 468 2HE LYS 57 HE3 LYS 57 1.164 0.309 -9.943 469 1HZ LYS 57 HZ3 LYS 57 1.986 -2.275 -8.730 470 2HZ LYS 57 HZ2 LYS 57 3.026 -1.012 -9.156 471 3HZ LYS 57 HZ1 LYS 57 1.891 -0.792 -7.920 472 H TYR 58 H TYR 58 -4.639 0.919 -5.528 473 HA TYR 58 HA TYR 58 -5.802 -1.410 -4.298 474 1HB TYR 58 HB2 TYR 58 -6.017 0.970 -3.422 475 2HB TYR 58 HB3 TYR 58 -7.116 1.276 -4.763 476 HD1 TYR 58 HD1 TYR 58 -7.256 1.019 -1.471 477 HD2 TYR 58 HD2 TYR 58 -8.770 -1.119 -4.846 478 HE1 TYR 58 HE1 TYR 58 -9.159 0.208 -0.132 479 HE2 TYR 58 HE2 TYR 58 -10.647 -1.945 -3.506 480 HH TYR 58 HH TYR 58 -11.440 -0.632 -0.474 481 H THR 59 H THR 59 -6.743 -2.924 -5.504 482 HA THR 59 HA THR 59 -8.147 -2.096 -7.961 483 HB THR 59 HB THR 59 -7.036 -4.837 -7.344 484 HG1 THR 59 HG1 THR 59 -5.730 -2.623 -8.042 485 1HG2 THR 59 2HG2 THR 59 -8.050 -3.603 -9.910 486 2HG2 THR 59 1HG2 THR 59 -7.350 -5.213 -9.752 487 3HG2 THR 59 3HG2 THR 59 -8.877 -4.833 -8.954 488 HA PRO 60 HA PRO 60 -11.668 -3.931 -5.829 489 1HB PRO 60 HB2 PRO 60 -13.437 -2.074 -6.547 490 2HB PRO 60 HB3 PRO 60 -12.174 -1.696 -5.374 491 1HG PRO 60 HG2 PRO 60 -12.446 -0.844 -8.190 492 2HG PRO 60 HG3 PRO 60 -11.571 -0.067 -6.859 493 1HD PRO 60 HD2 PRO 60 -10.543 -1.807 -8.916 494 2HD PRO 60 HD3 PRO 60 -9.653 -0.946 -7.644 495 H THR 61 H THR 61 -11.928 -5.809 -7.090 496 HA THR 61 HA THR 61 -13.467 -5.449 -9.580 497 HB THR 61 HB THR 61 -11.739 -7.856 -9.135 498 HG1 THR 61 HG1 THR 61 -10.283 -6.412 -10.611 499 1HG2 THR 61 2HG2 THR 61 -12.664 -6.399 -11.611 500 2HG2 THR 61 1HG2 THR 61 -11.676 -7.861 -11.590 501 3HG2 THR 61 3HG2 THR 61 -13.330 -7.906 -10.981 502 HA PRO 62 HA PRO 62 -16.783 -7.714 -7.692 503 1HB PRO 62 HB2 PRO 62 -17.519 -9.101 -10.022 504 2HB PRO 62 HB3 PRO 62 -18.155 -7.545 -9.488 505 1HG PRO 62 HG2 PRO 62 -16.008 -8.137 -11.469 506 2HG PRO 62 HG3 PRO 62 -17.231 -6.852 -11.485 507 1HD PRO 62 HD2 PRO 62 -14.694 -6.328 -10.849 508 2HD PRO 62 HD3 PRO 62 -16.031 -5.532 -9.988 509 H SER 63 H SER 63 -16.786 -9.554 -6.562 510 HA SER 63 HA SER 63 -14.737 -11.495 -6.897 511 1HB SER 63 HB2 SER 63 -15.751 -10.922 -4.699 512 2HB SER 63 HB3 SER 63 -17.252 -11.687 -5.221 513 HG SER 63 HG SER 63 -16.056 -13.165 -4.040 514 H SER 64 H SER 64 -15.655 -13.947 -6.652 515 HA SER 64 HA SER 64 -17.025 -14.411 -9.188 516 1HB SER 64 HB2 SER 64 -16.241 -16.741 -8.938 517 2HB SER 64 HB3 SER 64 -14.911 -15.588 -8.837 518 HG SER 64 HG SER 64 -15.060 -17.347 -7.192 519 H THR 65 H THR 65 -17.792 -14.239 -5.931 520 HA THR 65 HA THR 65 -19.929 -16.227 -6.120 521 HB THR 65 HB THR 65 -20.293 -15.772 -3.709 522 HG1 THR 65 HG1 THR 65 -18.177 -13.949 -4.181 523 1HG2 THR 65 2HG2 THR 65 -18.821 -17.596 -4.405 524 2HG2 THR 65 1HG2 THR 65 -17.454 -16.484 -4.458 525 3HG2 THR 65 3HG2 THR 65 -18.232 -16.851 -2.919 526 HA PRO 66 HA PRO 66 -23.058 -13.142 -6.687 527 1HB PRO 66 HB2 PRO 66 -25.225 -14.479 -5.898 528 2HB PRO 66 HB3 PRO 66 -24.298 -15.021 -7.305 529 1HG PRO 66 HG2 PRO 66 -24.154 -15.999 -4.461 530 2HG PRO 66 HG3 PRO 66 -24.325 -16.954 -5.950 531 1HD PRO 66 HD2 PRO 66 -21.942 -16.570 -4.723 532 2HD PRO 66 HD3 PRO 66 -22.088 -16.725 -6.486 533 H MET 67 H MET 67 -21.568 -13.029 -4.127 534 HA MET 67 HA MET 67 -23.689 -11.810 -2.492 535 1HB MET 67 HB2 MET 67 -22.940 -14.001 -1.547 536 2HB MET 67 HB3 MET 67 -21.321 -13.336 -1.394 537 1HG MET 67 HG2 MET 67 -22.150 -11.643 0.145 538 2HG MET 67 HG3 MET 67 -23.783 -12.285 -0.020 539 1HE MET 67 HE3 MET 67 -20.399 -14.295 0.182 540 2HE MET 67 HE2 MET 67 -20.150 -12.951 1.297 541 3HE MET 67 HE1 MET 67 -20.288 -14.597 1.916 542 H VAL 68 H VAL 68 -20.966 -11.328 -4.241 543 HA VAL 68 HA VAL 68 -20.245 -8.937 -2.682 544 HB VAL 68 HB VAL 68 -18.381 -10.798 -4.155 545 1HG1 VAL 68 2HG1 VAL 68 -17.803 -8.122 -2.886 546 2HG1 VAL 68 1HG1 VAL 68 -16.581 -9.256 -3.460 547 3HG1 VAL 68 3HG1 VAL 68 -17.703 -8.517 -4.601 548 1HG2 VAL 68 2HG2 VAL 68 -19.002 -11.560 -1.931 549 2HG2 VAL 68 1HG2 VAL 68 -17.314 -11.049 -1.964 550 3HG2 VAL 68 3HG2 VAL 68 -18.538 -10.000 -1.251 551 H GLY 69 H GLY 69 -20.259 -7.069 -3.781 552 1HA GLY 69 HA3 GLY 69 -20.917 -5.691 -5.539 553 2HA GLY 69 HA2 GLY 69 -21.052 -7.110 -6.567 554 H VAL 70 H VAL 70 -18.423 -5.509 -4.761 555 HA VAL 70 HA VAL 70 -16.648 -5.937 -7.041 556 HB VAL 70 HB VAL 70 -17.020 -3.210 -5.785 557 1HG1 VAL 70 3HG1 VAL 70 -15.237 -4.128 -8.041 558 2HG1 VAL 70 2HG1 VAL 70 -15.460 -2.454 -7.531 559 3HG1 VAL 70 1HG1 VAL 70 -14.715 -3.618 -6.435 560 1HG2 VAL 70 3HG2 VAL 70 -17.768 -4.197 -8.536 561 2HG2 VAL 70 2HG2 VAL 70 -18.887 -3.762 -7.244 562 3HG2 VAL 70 1HG2 VAL 70 -17.868 -2.525 -7.982 563 H GLY 71 H GLY 71 -15.707 -7.477 -5.581 564 1HA GLY 71 HA3 GLY 71 -14.732 -7.879 -3.357 565 2HA GLY 71 HA2 GLY 71 -14.158 -6.222 -3.401 566 H GLY 72 H GLY 72 -12.209 -5.792 -4.253 567 1HA GLY 72 HA3 GLY 72 -10.446 -6.216 -5.840 568 2HA GLY 72 HA2 GLY 72 -10.857 -7.923 -5.775 569 H ILE 73 H ILE 73 -8.431 -6.025 -5.067 570 HA ILE 73 HA ILE 73 -7.939 -6.915 -2.350 571 HB ILE 73 HB ILE 73 -5.732 -7.841 -2.916 572 1HG1 ILE 73 2HG1 ILE 73 -6.563 -8.167 -5.758 573 2HG1 ILE 73 3HG1 ILE 73 -5.806 -6.659 -5.249 574 1HG2 ILE 73 2HG2 ILE 73 -7.699 -9.278 -2.543 575 2HG2 ILE 73 1HG2 ILE 73 -7.935 -9.338 -4.291 576 3HG2 ILE 73 3HG2 ILE 73 -6.466 -10.005 -3.575 577 1HD1 ILE 73 3HD1 ILE 73 -3.895 -7.949 -4.382 578 2HD1 ILE 73 2HD1 ILE 73 -4.644 -9.422 -4.997 579 3HD1 ILE 73 1HD1 ILE 73 -4.136 -8.158 -6.118 580 H TYR 74 H TYR 74 -5.261 -6.387 -2.198 581 HA TYR 74 HA TYR 74 -4.957 -3.612 -3.096 582 1HB TYR 74 HB2 TYR 74 -4.082 -4.420 -0.342 583 2HB TYR 74 HB3 TYR 74 -4.480 -2.818 -0.957 584 HD1 TYR 74 HD1 TYR 74 -6.743 -2.004 -0.918 585 HD2 TYR 74 HD2 TYR 74 -5.894 -6.000 0.260 586 HE1 TYR 74 HE1 TYR 74 -9.005 -2.216 0.027 587 HE2 TYR 74 HE2 TYR 74 -8.147 -6.211 1.199 588 HH TYR 74 HH TYR 74 -10.617 -3.980 0.575 589 H VAL 75 H VAL 75 -3.336 -3.964 -4.542 590 HA VAL 75 HA VAL 75 -1.131 -5.726 -3.913 591 HB VAL 75 HB VAL 75 -1.688 -4.024 -6.344 592 1HG1 VAL 75 2HG1 VAL 75 0.556 -5.978 -5.847 593 2HG1 VAL 75 1HG1 VAL 75 0.170 -5.251 -7.406 594 3HG1 VAL 75 3HG1 VAL 75 0.709 -4.235 -6.070 595 1HG2 VAL 75 1HG2 VAL 75 -3.187 -5.937 -6.053 596 2HG2 VAL 75 3HG2 VAL 75 -2.125 -6.154 -7.444 597 3HG2 VAL 75 2HG2 VAL 75 -1.792 -7.010 -5.938 598 H VAL 76 H VAL 76 0.211 -4.906 -2.421 599 HA VAL 76 HA VAL 76 1.098 -2.120 -2.716 600 HB VAL 76 HB VAL 76 1.475 -3.950 -0.345 601 1HG1 VAL 76 2HG1 VAL 76 1.944 -0.999 -0.737 602 2HG1 VAL 76 1HG1 VAL 76 1.964 -1.809 0.830 603 3HG1 VAL 76 3HG1 VAL 76 3.152 -2.237 -0.401 604 1HG2 VAL 76 3HG2 VAL 76 -0.894 -3.494 -0.724 605 2HG2 VAL 76 2HG2 VAL 76 -0.313 -2.669 0.721 606 3HG2 VAL 76 1HG2 VAL 76 -0.560 -1.763 -0.772 607 H LEU 77 H LEU 77 2.995 -1.761 -3.642 608 HA LEU 77 HA LEU 77 5.079 -3.833 -3.485 609 1HB LEU 77 HB2 LEU 77 4.657 -1.616 -5.488 610 2HB LEU 77 HB3 LEU 77 6.104 -2.606 -5.430 611 HG LEU 77 HG LEU 77 3.293 -3.583 -5.984 612 1HD1 LEU 77 3HD1 LEU 77 4.247 -2.321 -7.835 613 2HD1 LEU 77 2HD1 LEU 77 5.697 -3.323 -7.785 614 3HD1 LEU 77 1HD1 LEU 77 4.147 -4.038 -8.228 615 1HD2 LEU 77 3HD2 LEU 77 4.988 -5.108 -4.734 616 2HD2 LEU 77 2HD2 LEU 77 4.092 -5.744 -6.115 617 3HD2 LEU 77 1HD2 LEU 77 5.764 -5.226 -6.313 618 H VAL 78 H VAL 78 6.171 -3.328 -1.655 619 HA VAL 78 HA VAL 78 6.842 -0.533 -1.150 620 HB VAL 78 HB VAL 78 7.974 -2.304 0.795 621 1HG1 VAL 78 1HG1 VAL 78 5.729 -0.277 0.898 622 2HG1 VAL 78 3HG1 VAL 78 6.501 -1.004 2.310 623 3HG1 VAL 78 2HG1 VAL 78 7.440 0.019 1.226 624 1HG2 VAL 78 2HG2 VAL 78 6.281 -3.905 0.057 625 2HG2 VAL 78 1HG2 VAL 78 5.944 -3.315 1.683 626 3HG2 VAL 78 3HG2 VAL 78 5.025 -2.694 0.313 627 H LYS 79 H LYS 79 8.507 0.133 -2.330 628 HA LYS 79 HA LYS 79 10.882 -1.582 -2.546 629 1HB LYS 79 HB2 LYS 79 9.675 0.500 -4.285 630 2HB LYS 79 HB3 LYS 79 11.428 0.361 -4.292 631 1HG LYS 79 HG2 LYS 79 11.193 -2.039 -4.836 632 2HG LYS 79 HG3 LYS 79 9.437 -1.808 -4.953 633 1HD LYS 79 HD2 LYS 79 11.389 -0.185 -6.572 634 2HD LYS 79 HD3 LYS 79 10.774 -1.742 -7.127 635 1HE LYS 79 HE2 LYS 79 9.397 -0.082 -8.107 636 2HE LYS 79 HE3 LYS 79 8.456 -0.822 -6.813 637 1HZ LYS 79 HZ2 LYS 79 9.970 1.705 -6.483 638 2HZ LYS 79 HZ1 LYS 79 8.338 1.649 -6.924 639 3HZ LYS 79 HZ3 LYS 79 8.831 1.042 -5.425 640 HA PRO 80 HA PRO 80 12.481 1.206 0.671 641 1HB PRO 80 HB2 PRO 80 14.883 -0.456 0.116 642 2HB PRO 80 HB3 PRO 80 14.123 -0.049 1.658 643 1HG PRO 80 HG2 PRO 80 13.847 -2.479 0.594 644 2HG PRO 80 HG3 PRO 80 12.515 -1.694 1.458 645 1HD PRO 80 HD2 PRO 80 12.917 -2.064 -1.474 646 2HD PRO 80 HD3 PRO 80 11.418 -2.093 -0.524 647 H ARG 81 H ARG 81 12.574 3.097 -0.534 648 HA ARG 81 HA ARG 81 14.301 3.565 -2.704 649 1HB ARG 81 HB2 ARG 81 12.362 5.014 -1.210 650 2HB ARG 81 HB3 ARG 81 13.810 6.004 -1.318 651 1HG ARG 81 HG2 ARG 81 13.778 5.815 -3.736 652 2HG ARG 81 HG3 ARG 81 12.373 4.750 -3.645 653 1HD ARG 81 HD2 ARG 81 11.070 6.544 -2.628 654 2HD ARG 81 HD3 ARG 81 12.473 7.613 -2.699 655 HE ARG 81 HE ARG 81 11.685 6.524 -5.248 656 1HH1 ARG 81 1HH1 ARG 81 11.247 9.118 -2.962 657 2HH1 ARG 81 2HH1 ARG 81 10.660 10.236 -4.149 658 1HH2 ARG 81 1HH2 ARG 81 10.916 7.989 -6.815 659 2HH2 ARG 81 2HH2 ARG 81 10.472 9.595 -6.338 660 H LYS 82 H LYS 82 14.657 4.154 0.767 661 HA LYS 82 HA LYS 82 17.469 4.892 0.288 662 1HB LYS 82 HB2 LYS 82 15.777 5.563 2.701 663 2HB LYS 82 HB3 LYS 82 17.407 6.133 2.370 664 1HG LYS 82 HG2 LYS 82 16.539 7.302 0.365 665 2HG LYS 82 HG3 LYS 82 14.909 6.816 0.836 666 1HD LYS 82 HD2 LYS 82 15.149 8.022 2.944 667 2HD LYS 82 HD3 LYS 82 16.788 8.497 2.493 668 1HE LYS 82 HE2 LYS 82 15.885 9.693 0.544 669 2HE LYS 82 HE3 LYS 82 14.252 9.250 1.042 670 1HZ LYS 82 HZ2 LYS 82 16.145 10.908 2.619 671 2HZ LYS 82 HZ1 LYS 82 14.822 11.491 1.742 672 3HZ LYS 82 HZ3 LYS 82 14.574 10.492 3.085 673 H ARG 83 H ARG 83 18.861 4.408 2.310 674 HA ARG 83 HA ARG 83 18.274 1.651 3.165 675 1HB ARG 83 HB2 ARG 83 20.971 2.987 2.906 676 2HB ARG 83 HB3 ARG 83 20.677 1.300 3.300 677 1HG ARG 83 HG2 ARG 83 19.775 0.893 1.109 678 2HG ARG 83 HG3 ARG 83 19.900 2.607 0.704 679 1HD ARG 83 HD2 ARG 83 21.756 1.504 -0.295 680 2HD ARG 83 HD3 ARG 83 22.360 2.429 1.080 681 HE ARG 83 HE ARG 83 21.890 -0.058 2.091 682 1HH1 ARG 83 1HH1 ARG 83 23.774 1.201 -0.555 683 2HH1 ARG 83 2HH1 ARG 83 24.973 -0.046 -0.465 684 1HH2 ARG 83 1HH2 ARG 83 23.463 -1.705 2.218 685 2HH2 ARG 83 2HH2 ARG 83 24.795 -1.698 1.111 686 H GLY 84 H GLY 84 17.467 1.718 5.171 687 1HA GLY 84 HA3 GLY 84 18.063 3.771 7.053 688 2HA GLY 84 HA2 GLY 84 18.983 2.316 7.406 689 H HIS 85 H HIS 85 16.328 3.922 8.295 690 HA HIS 85 HA HIS 85 14.979 1.457 9.151 691 1HB HIS 85 HB2 HIS 85 14.802 4.257 10.285 692 2HB HIS 85 HB3 HIS 85 13.963 2.845 10.919 693 HD1 HIS 85 HD1 HIS 85 17.148 4.649 11.082 694 HD2 HIS 85 HD2 HIS 85 15.736 0.868 12.069 695 HE1 HIS 85 HE1 HIS 85 18.882 3.663 12.612 696 HE2 HIS 85 HE2 HIS 85 17.966 1.408 13.263 697 H HIS 86 H HIS 86 13.574 0.979 7.544 698 HA HIS 86 HA HIS 86 11.625 3.058 6.788 699 1HB HIS 86 HB2 HIS 86 12.512 0.628 5.216 700 2HB HIS 86 HB3 HIS 86 11.283 1.779 4.705 701 HD1 HIS 86 HD1 HIS 86 14.530 2.873 6.249 702 HD2 HIS 86 HD2 HIS 86 12.698 2.711 2.524 703 HE1 HIS 86 HE1 HIS 86 16.001 4.220 4.719 704 HE2 HIS 86 HE2 HIS 86 14.812 4.197 2.498 705 H THR 87 H THR 87 9.420 2.312 6.386 706 HA THR 87 HA THR 87 8.632 -0.286 7.343 707 HB THR 87 HB THR 87 7.739 2.125 8.933 708 HG1 THR 87 HG1 THR 87 9.279 -0.008 9.963 709 1HG2 THR 87 3HG2 THR 87 6.078 0.311 8.721 710 2HG2 THR 87 2HG2 THR 87 7.262 -0.823 9.374 711 3HG2 THR 87 1HG2 THR 87 6.662 0.499 10.375 712 H LEU 88 H LEU 88 6.426 -0.768 6.958 713 HA LEU 88 HA LEU 88 5.065 1.167 5.201 714 1HB LEU 88 HB2 LEU 88 5.785 -0.729 3.923 715 2HB LEU 88 HB3 LEU 88 5.123 -1.841 5.101 716 HG LEU 88 HG LEU 88 2.837 -0.949 4.523 717 1HD1 LEU 88 3HD1 LEU 88 3.534 1.174 3.561 718 2HD1 LEU 88 2HD1 LEU 88 4.352 0.323 2.251 719 3HD1 LEU 88 1HD1 LEU 88 2.596 0.232 2.402 720 1HD2 LEU 88 1HD2 LEU 88 3.755 -3.069 3.638 721 2HD2 LEU 88 3HD2 LEU 88 2.625 -2.284 2.535 722 3HD2 LEU 88 2HD2 LEU 88 4.359 -2.183 2.239 723 H GLU 89 H GLU 89 3.834 2.103 6.832 724 HA GLU 89 HA GLU 89 2.268 0.544 8.633 725 1HB GLU 89 HB2 GLU 89 2.376 3.468 7.952 726 2HB GLU 89 HB3 GLU 89 1.199 2.816 9.082 727 1HG GLU 89 HG2 GLU 89 2.936 1.999 10.496 728 2HG GLU 89 HG3 GLU 89 4.172 2.517 9.353 729 H LEU 90 H LEU 90 0.829 -0.770 7.596 730 HA LEU 90 HA LEU 90 -1.146 0.548 5.857 731 1HB LEU 90 HB2 LEU 90 -0.308 -2.338 6.071 732 2HB LEU 90 HB3 LEU 90 -1.754 -1.837 5.219 733 HG LEU 90 HG LEU 90 1.072 -1.024 4.529 734 1HD1 LEU 90 3HD1 LEU 90 -0.862 -2.928 3.224 735 2HD1 LEU 90 2HD1 LEU 90 0.634 -2.362 2.483 736 3HD1 LEU 90 1HD1 LEU 90 0.690 -3.322 3.962 737 1HD2 LEU 90 2HD2 LEU 90 -1.544 -0.386 3.172 738 2HD2 LEU 90 1HD2 LEU 90 -0.489 0.756 4.004 739 3HD2 LEU 90 3HD2 LEU 90 0.058 -0.031 2.524 740 H VAL 91 H VAL 91 -3.232 0.639 6.455 741 HA VAL 91 HA VAL 91 -4.099 -0.936 8.781 742 HB VAL 91 HB VAL 91 -5.455 1.408 9.156 743 1HG1 VAL 91 1HG1 VAL 91 -2.931 0.359 10.394 744 2HG1 VAL 91 3HG1 VAL 91 -3.754 1.793 11.009 745 3HG1 VAL 91 2HG1 VAL 91 -4.589 0.239 10.989 746 1HG2 VAL 91 1HG2 VAL 91 -4.131 2.588 7.488 747 2HG2 VAL 91 3HG2 VAL 91 -3.819 3.227 9.103 748 3HG2 VAL 91 2HG2 VAL 91 -2.646 2.151 8.341 749 H TYR 92 H TYR 92 -6.480 -0.810 9.092 750 HA TYR 92 HA TYR 92 -7.882 -0.767 6.508 751 1HB TYR 92 HB2 TYR 92 -7.747 -2.870 8.073 752 2HB TYR 92 HB3 TYR 92 -8.979 -2.030 9.005 753 HD1 TYR 92 HD1 TYR 92 -10.838 -3.423 8.694 754 HD2 TYR 92 HD2 TYR 92 -8.636 -2.098 5.303 755 HE1 TYR 92 HE1 TYR 92 -12.573 -4.343 7.214 756 HE2 TYR 92 HE2 TYR 92 -10.368 -3.011 3.815 757 HH TYR 92 HH TYR 92 -13.412 -4.010 4.929 758 H THR 93 H THR 93 -8.330 1.446 6.462 759 HA THR 93 HA THR 93 -10.059 2.474 8.626 760 HB THR 93 HB THR 93 -7.958 3.668 8.571 761 HG1 THR 93 HG1 THR 93 -9.030 5.776 7.604 762 1HG2 THR 93 2HG2 THR 93 -8.478 3.644 5.653 763 2HG2 THR 93 1HG2 THR 93 -7.712 5.090 6.318 764 3HG2 THR 93 3HG2 THR 93 -6.956 3.510 6.536 765 H ARG 94 H ARG 94 -11.446 4.343 7.910 766 HA ARG 94 HA ARG 94 -12.732 3.674 5.358 767 1HB ARG 94 HB2 ARG 94 -13.774 5.256 7.716 768 2HB ARG 94 HB3 ARG 94 -14.679 4.914 6.248 769 1HG ARG 94 HG2 ARG 94 -14.517 2.507 6.741 770 2HG ARG 94 HG3 ARG 94 -13.682 2.896 8.246 771 1HD ARG 94 HD2 ARG 94 -16.048 2.473 8.646 772 2HD ARG 94 HD3 ARG 94 -15.631 4.147 9.014 773 HE ARG 94 HE ARG 94 -16.524 4.053 6.375 774 1HH1 ARG 94 1HH1 ARG 94 -17.771 3.534 9.588 775 2HH1 ARG 94 2HH1 ARG 94 -19.388 4.000 9.174 776 1HH2 ARG 94 1HH2 ARG 94 -18.649 4.668 5.823 777 2HH2 ARG 94 2HH2 ARG 94 -19.886 4.643 7.035 778 HA PRO 95 HA PRO 95 -10.283 7.304 3.946 779 1HB PRO 95 HB2 PRO 95 -12.086 6.571 1.663 780 2HB PRO 95 HB3 PRO 95 -10.396 7.086 1.634 781 1HG PRO 95 HG2 PRO 95 -11.009 4.510 1.397 782 2HG PRO 95 HG3 PRO 95 -9.621 5.017 2.374 783 1HD PRO 95 HD2 PRO 95 -12.275 4.007 3.241 784 2HD PRO 95 HD3 PRO 95 -10.696 3.867 4.034 785 H PHE 96 H PHE 96 -13.774 6.785 3.604 786 HA PHE 96 HA PHE 96 -14.399 9.507 3.116 787 1HB PHE 96 HB2 PHE 96 -16.593 8.048 4.292 788 2HB PHE 96 HB3 PHE 96 -16.410 8.665 2.657 789 HD1 PHE 96 HD1 PHE 96 -16.465 5.756 4.726 790 HD2 PHE 96 HD2 PHE 96 -15.187 7.264 0.958 791 HE1 PHE 96 HE1 PHE 96 -16.277 3.455 3.874 792 HE2 PHE 96 HE2 PHE 96 -14.997 4.966 0.098 793 HZ PHE 96 HZ PHE 96 -15.545 3.058 1.557 794 H GLU 97 H GLU 97 -14.366 7.482 6.019 795 HA GLU 97 HA GLU 97 -15.221 9.737 7.661 796 1HB GLU 97 HB2 GLU 97 -14.608 6.876 8.429 797 2HB GLU 97 HB3 GLU 97 -15.259 8.102 9.507 798 1HG GLU 97 HG2 GLU 97 -16.611 7.028 7.041 799 2HG GLU 97 HG3 GLU 97 -16.994 6.597 8.707 800 H GLY 98 H GLY 98 -12.788 7.269 8.387 801 1HA GLY 98 HA3 GLY 98 -11.152 9.156 9.789 802 2HA GLY 98 HA2 GLY 98 -10.451 8.706 8.241 803 H ILE 99 H ILE 99 -8.847 8.072 10.079 804 HA ILE 99 HA ILE 99 -9.082 5.177 10.287 805 HB ILE 99 HB ILE 99 -6.675 6.772 11.080 806 1HG1 ILE 99 2HG1 ILE 99 -7.241 5.777 8.286 807 2HG1 ILE 99 3HG1 ILE 99 -7.535 7.442 8.783 808 1HG2 ILE 99 3HG2 ILE 99 -7.254 3.951 10.249 809 2HG2 ILE 99 2HG2 ILE 99 -5.629 4.619 10.089 810 3HG2 ILE 99 1HG2 ILE 99 -6.399 4.540 11.674 811 1HD1 ILE 99 1HD1 ILE 99 -5.144 7.631 9.363 812 2HD1 ILE 99 3HD1 ILE 99 -4.895 6.000 8.744 813 3HD1 ILE 99 2HD1 ILE 99 -5.422 7.284 7.655 814 H LYS 100 H LYS 100 -8.611 4.049 12.220 815 HA LYS 100 HA LYS 100 -8.712 5.547 14.719 816 1HB LYS 100 HB2 LYS 100 -10.727 3.459 13.899 817 2HB LYS 100 HB3 LYS 100 -10.571 4.091 15.519 818 1HG LYS 100 HG2 LYS 100 -11.254 6.258 14.842 819 2HG LYS 100 HG3 LYS 100 -11.104 5.838 13.133 820 1HD LYS 100 HD2 LYS 100 -12.990 4.300 14.868 821 2HD LYS 100 HD3 LYS 100 -13.456 5.897 14.280 822 1HE LYS 100 HE2 LYS 100 -13.163 5.198 11.994 823 2HE LYS 100 HE3 LYS 100 -12.520 3.640 12.514 824 1HZ LYS 100 HZ2 LYS 100 -15.283 4.616 12.996 825 2HZ LYS 100 HZ1 LYS 100 -14.832 3.465 11.843 826 3HZ LYS 100 HZ3 LYS 100 -14.668 3.120 13.491 827 HA PRO 101 HA PRO 101 -6.049 2.460 16.362 828 1HB PRO 101 HB2 PRO 101 -7.264 1.815 18.752 829 2HB PRO 101 HB3 PRO 101 -6.264 3.245 18.491 830 1HG PRO 101 HG2 PRO 101 -9.240 2.988 18.491 831 2HG PRO 101 HG3 PRO 101 -8.226 4.283 19.152 832 1HD PRO 101 HD2 PRO 101 -9.521 4.554 16.817 833 2HD PRO 101 HD3 PRO 101 -7.922 5.276 17.092 834 H GLU 102 H GLU 102 -9.488 1.667 16.590 835 HA GLU 102 HA GLU 102 -9.199 -1.110 16.883 836 1HB GLU 102 HB2 GLU 102 -11.564 -1.204 16.071 837 2HB GLU 102 HB3 GLU 102 -11.292 -0.110 17.422 838 1HG GLU 102 HG2 GLU 102 -11.215 1.769 15.876 839 2HG GLU 102 HG3 GLU 102 -11.508 0.670 14.532 840 H ASN 103 H ASN 103 -8.929 0.957 14.138 841 HA ASN 103 HA ASN 103 -9.551 -0.697 12.018 842 1HB ASN 103 HB2 ASN 103 -7.333 1.337 12.257 843 2HB ASN 103 HB3 ASN 103 -7.811 0.584 10.740 844 1HD2 ASN 103 1HD2 ASN 103 -10.261 1.221 13.073 845 2HD2 ASN 103 2HD2 ASN 103 -10.963 2.582 12.279 846 H GLU 104 H GLU 104 -8.637 -2.396 11.005 847 HA GLU 104 HA GLU 104 -6.892 -4.099 12.278 848 1HB GLU 104 HB2 GLU 104 -8.405 -4.332 10.107 849 2HB GLU 104 HB3 GLU 104 -6.876 -4.034 9.296 850 1HG GLU 104 HG2 GLU 104 -5.910 -5.971 10.155 851 2HG GLU 104 HG3 GLU 104 -7.149 -6.144 11.397 852 H ARG 105 H ARG 105 -4.679 -4.694 11.756 853 HA ARG 105 HA ARG 105 -3.100 -2.355 10.904 854 1HB ARG 105 HB2 ARG 105 -2.972 -2.877 13.343 855 2HB ARG 105 HB3 ARG 105 -2.285 -4.439 12.931 856 1HG ARG 105 HG2 ARG 105 -0.311 -3.410 13.187 857 2HG ARG 105 HG3 ARG 105 -0.644 -2.762 11.572 858 1HD ARG 105 HD2 ARG 105 -0.013 -0.976 13.085 859 2HD ARG 105 HD3 ARG 105 -1.689 -0.797 12.566 860 HE ARG 105 HE ARG 105 -1.741 -2.215 14.942 861 1HH1 ARG 105 1HH1 ARG 105 -0.728 0.936 13.850 862 2HH1 ARG 105 2HH1 ARG 105 -1.042 1.706 15.369 863 1HH2 ARG 105 1HH2 ARG 105 -2.157 -1.208 16.947 864 2HH2 ARG 105 2HH2 ARG 105 -1.853 0.487 17.129 865 H TYR 106 H TYR 106 -1.061 -2.754 9.957 866 HA TYR 106 HA TYR 106 -0.069 -5.299 9.272 867 1HB TYR 106 HB2 TYR 106 -2.058 -5.143 7.709 868 2HB TYR 106 HB3 TYR 106 -1.230 -3.802 6.916 869 HD1 TYR 106 HD1 TYR 106 0.845 -4.235 5.640 870 HD2 TYR 106 HD2 TYR 106 -1.373 -7.390 7.426 871 HE1 TYR 106 HE1 TYR 106 2.055 -5.862 4.254 872 HE2 TYR 106 HE2 TYR 106 -0.175 -9.023 6.049 873 HH TYR 106 HH TYR 106 2.628 -8.256 4.298 874 H THR 107 H THR 107 1.369 -3.736 10.475 875 HA THR 107 HA THR 107 2.688 -1.769 8.786 876 HB THR 107 HB THR 107 3.464 -2.484 11.608 877 HG1 THR 107 HG1 THR 107 1.947 -0.958 12.298 878 1HG2 THR 107 1HG2 THR 107 3.675 0.060 9.995 879 2HG2 THR 107 3HG2 THR 107 4.204 -0.147 11.665 880 3HG2 THR 107 2HG2 THR 107 4.998 -1.044 10.372 881 H LEU 108 H LEU 108 3.934 -2.809 7.306 882 HA LEU 108 HA LEU 108 5.594 -5.049 8.064 883 1HB LEU 108 HB2 LEU 108 4.545 -5.054 5.880 884 2HB LEU 108 HB3 LEU 108 5.318 -3.541 5.468 885 HG LEU 108 HG LEU 108 7.494 -4.604 5.419 886 1HD1 LEU 108 1HD1 LEU 108 6.043 -7.124 6.214 887 2HD1 LEU 108 3HD1 LEU 108 7.742 -7.014 5.750 888 3HD1 LEU 108 2HD1 LEU 108 7.174 -6.213 7.216 889 1HD2 LEU 108 3HD2 LEU 108 6.115 -4.675 3.397 890 2HD2 LEU 108 2HD2 LEU 108 7.183 -6.074 3.520 891 3HD2 LEU 108 1HD2 LEU 108 5.469 -6.236 3.903 892 H HIS 109 H HIS 109 7.123 -4.331 9.489 893 HA HIS 109 HA HIS 109 8.715 -1.998 8.944 894 1HB HIS 109 HB2 HIS 109 8.670 -4.060 11.098 895 2HB HIS 109 HB3 HIS 109 10.054 -2.988 10.939 896 HD1 HIS 109 HD1 HIS 109 9.822 -0.680 11.893 897 HD2 HIS 109 HD2 HIS 109 6.192 -2.688 11.654 898 HE1 HIS 109 HE1 HIS 109 8.169 0.776 13.105 899 HE2 HIS 109 HE2 HIS 109 5.997 -0.500 13.020 900 H LEU 110 H LEU 110 10.805 -1.905 8.292 901 HA LEU 110 HA LEU 110 12.202 -4.344 7.541 902 1HB LEU 110 HB2 LEU 110 11.562 -2.136 5.586 903 2HB LEU 110 HB3 LEU 110 12.650 -3.470 5.267 904 HG LEU 110 HG LEU 110 9.691 -3.742 5.817 905 1HD1 LEU 110 2HD1 LEU 110 11.237 -3.882 3.232 906 2HD1 LEU 110 1HD1 LEU 110 9.531 -4.286 3.426 907 3HD1 LEU 110 3HD1 LEU 110 10.083 -2.633 3.698 908 1HD2 LEU 110 3HD2 LEU 110 11.120 -5.681 6.476 909 2HD2 LEU 110 2HD2 LEU 110 9.937 -6.038 5.217 910 3HD2 LEU 110 1HD2 LEU 110 11.632 -5.803 4.793 911 H ASN 111 H ASN 111 14.018 -4.016 8.722 912 HA ASN 111 HA ASN 111 15.220 -1.425 8.988 913 1HB ASN 111 HB2 ASN 111 15.958 -4.202 9.884 914 2HB ASN 111 HB3 ASN 111 17.097 -2.874 10.034 915 1HD2 ASN 111 1HD2 ASN 111 16.705 -1.242 11.497 916 2HD2 ASN 111 2HD2 ASN 111 15.516 -1.375 12.742 917 H VAL 112 H VAL 112 15.340 -1.101 6.657 918 HA VAL 112 HA VAL 112 16.809 -2.630 4.870 919 HB VAL 112 HB VAL 112 16.889 0.346 4.630 920 1HG1 VAL 112 2HG1 VAL 112 17.818 -1.086 2.872 921 2HG1 VAL 112 1HG1 VAL 112 16.243 -1.860 2.687 922 3HG1 VAL 112 3HG1 VAL 112 16.437 -0.151 2.296 923 1HG2 VAL 112 2HG2 VAL 112 14.406 -1.344 4.550 924 2HG2 VAL 112 1HG2 VAL 112 14.694 0.139 5.458 925 3HG2 VAL 112 3HG2 VAL 112 14.528 0.197 3.703 926 H LYS 113 H LYS 113 18.880 -3.193 4.907 927 HA LYS 113 HA LYS 113 20.846 -1.275 5.976 928 1HB LYS 113 HB2 LYS 113 20.878 -4.290 6.186 929 2HB LYS 113 HB3 LYS 113 22.184 -3.235 6.690 930 1HG LYS 113 HG2 LYS 113 19.426 -3.074 7.816 931 2HG LYS 113 HG3 LYS 113 20.711 -4.044 8.524 932 1HD LYS 113 HD2 LYS 113 22.075 -2.032 8.795 933 2HD LYS 113 HD3 LYS 113 20.789 -1.061 8.077 934 1HE LYS 113 HE2 LYS 113 20.742 -0.890 10.502 935 2HE LYS 113 HE3 LYS 113 19.291 -1.693 9.903 936 1HZ LYS 113 HZ3 LYS 113 21.665 -3.052 11.059 937 2HZ LYS 113 HZ2 LYS 113 20.184 -2.817 11.841 938 3HZ LYS 113 HZ1 LYS 113 20.271 -3.823 10.484 No H/Q in entry = 938
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