NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
628568 | 5xv9 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -3.885 11.489 1.651 2 H2 MET 1 HT2 MET 1 -4.364 12.284 0.228 3 H3 MET 1 HT3 MET 1 -5.099 10.819 0.675 4 HA MET 1 HA MET 1 -5.251 13.275 2.326 5 HB2 MET 1 HB2 MET 1 -6.973 12.275 0.059 6 HB3 MET 1 HB3 MET 1 -7.686 13.218 1.365 7 HG2 MET 1 HG2 MET 1 -5.291 14.127 -0.255 8 HG3 MET 1 HG3 MET 1 -6.952 14.602 -0.607 9 HE1 MET 1 HE1 MET 1 -4.659 16.509 -0.222 10 HE2 MET 1 HE2 MET 1 -5.179 17.742 0.924 11 HE3 MET 1 HE3 MET 1 -6.274 17.219 -0.353 12 H SER 2 H SER 2 -6.968 10.306 1.321 13 HA SER 2 HA SER 2 -8.331 9.977 3.802 14 HB2 SER 2 HB2 SER 2 -7.796 8.013 1.564 15 HB3 SER 2 HB3 SER 2 -8.892 7.726 2.913 16 HG SER 2 HG SER 2 -10.210 8.598 1.459 17 H LYS 3 H LYS 3 -7.997 8.425 5.425 18 HA LYS 3 HA LYS 3 -5.572 6.836 5.469 19 HB2 LYS 3 HB2 LYS 3 -4.646 7.874 7.492 20 HB3 LYS 3 HB3 LYS 3 -4.718 9.033 6.169 21 HG2 LYS 3 HG2 LYS 3 -6.819 9.958 7.091 22 HG3 LYS 3 HG3 LYS 3 -6.732 8.804 8.423 23 HD2 LYS 3 HD2 LYS 3 -4.573 9.768 9.126 24 HD3 LYS 3 HD3 LYS 3 -4.655 10.924 7.796 25 HE2 LYS 3 HE2 LYS 3 -6.744 11.852 8.723 26 HE3 LYS 3 HE3 LYS 3 -6.671 10.694 10.052 27 HZ1 LYS 3 HZ1 LYS 3 -5.759 12.961 10.537 28 HZ2 LYS 3 HZ2 LYS 3 -4.490 12.612 9.463 29 HZ3 LYS 3 HZ3 LYS 3 -4.703 11.674 10.863 30 H GLY 4 H GLY 4 -5.670 5.164 6.914 31 HA2 GLY 4 HA2 GLY 4 -7.985 5.038 8.739 32 HA3 GLY 4 HA3 GLY 4 -7.713 3.741 7.580 33 H ILE 5 H ILE 5 -7.639 2.409 9.543 34 HA ILE 5 HA ILE 5 -4.940 2.457 10.770 35 HB ILE 5 HB ILE 5 -6.034 1.237 12.713 36 HG12 ILE 5 HG12 ILE 5 -8.617 2.426 11.665 37 HG13 ILE 5 HG13 ILE 5 -8.165 0.767 11.288 38 HG21 ILE 5 HG21 ILE 5 -5.385 3.599 12.838 39 HG22 ILE 5 HG22 ILE 5 -6.897 3.337 13.707 40 HG23 ILE 5 HG23 ILE 5 -6.917 4.075 12.105 41 HD11 ILE 5 HD11 ILE 5 -8.142 0.159 13.615 42 HD12 ILE 5 HD12 ILE 5 -9.636 1.053 13.346 43 HD13 ILE 5 HD13 ILE 5 -8.262 1.845 14.117 44 H VAL 6 H VAL 6 -3.724 0.743 10.478 45 HA VAL 6 HA VAL 6 -4.557 -1.333 8.733 46 HB VAL 6 HB VAL 6 -2.055 -1.127 10.427 47 HG11 VAL 6 HG11 VAL 6 -1.160 -2.640 8.542 48 HG12 VAL 6 HG12 VAL 6 -2.850 -2.949 8.146 49 HG13 VAL 6 HG13 VAL 6 -2.220 -3.397 9.731 50 HG21 VAL 6 HG21 VAL 6 -1.018 -0.111 8.525 51 HG22 VAL 6 HG22 VAL 6 -2.551 0.735 8.733 52 HG23 VAL 6 HG23 VAL 6 -2.387 -0.496 7.481 53 H LYS 7 H LYS 7 -5.566 -3.169 9.167 54 HA LYS 7 HA LYS 7 -6.321 -3.937 11.807 55 HB2 LYS 7 HB2 LYS 7 -7.632 -4.535 9.764 56 HB3 LYS 7 HB3 LYS 7 -6.329 -5.623 9.281 57 HG2 LYS 7 HG2 LYS 7 -6.631 -6.919 11.360 58 HG3 LYS 7 HG3 LYS 7 -7.921 -5.825 11.858 59 HD2 LYS 7 HD2 LYS 7 -9.230 -6.446 9.864 60 HD3 LYS 7 HD3 LYS 7 -7.944 -7.541 9.358 61 HE2 LYS 7 HE2 LYS 7 -8.229 -8.846 11.429 62 HE3 LYS 7 HE3 LYS 7 -9.506 -7.748 11.949 63 HZ1 LYS 7 HZ1 LYS 7 -9.611 -9.237 9.390 64 HZ2 LYS 7 HZ2 LYS 7 -10.875 -8.413 10.170 65 HZ3 LYS 7 HZ3 LYS 7 -10.256 -9.850 10.833 66 H TRP 8 H TRP 8 -3.926 -5.142 9.468 67 HA TRP 8 HA TRP 8 -2.056 -5.786 11.502 68 HB2 TRP 8 HB2 TRP 8 -1.971 -8.200 11.301 69 HB3 TRP 8 HB3 TRP 8 -3.566 -7.702 11.843 70 HD1 TRP 8 HD1 TRP 8 -5.591 -7.957 10.122 71 HE1 TRP 8 HE1 TRP 8 -5.883 -9.450 8.042 72 HE3 TRP 8 HE3 TRP 8 -0.724 -9.241 9.271 73 HZ2 TRP 8 HZ2 TRP 8 -4.264 -10.992 6.257 74 HZ3 TRP 8 HZ3 TRP 8 -0.128 -10.724 7.377 75 HH2 TRP 8 HH2 TRP 8 -1.891 -11.600 5.871 76 H PHE 9 H PHE 9 -0.050 -5.801 10.725 77 HA PHE 9 HA PHE 9 0.271 -5.973 7.771 78 HB2 PHE 9 HB2 PHE 9 0.623 -3.678 8.758 79 HB3 PHE 9 HB3 PHE 9 1.989 -4.343 9.654 80 HD1 PHE 9 HD1 PHE 9 0.726 -3.361 6.351 81 HD2 PHE 9 HD2 PHE 9 3.994 -5.162 8.478 82 HE1 PHE 9 HE1 PHE 9 2.167 -3.113 4.348 83 HE2 PHE 9 HE2 PHE 9 5.436 -4.910 6.477 84 HZ PHE 9 HZ PHE 9 4.522 -3.886 4.412 85 H ASN 10 H ASN 10 1.619 -7.502 7.036 86 HA ASN 10 HA ASN 10 3.689 -8.565 8.860 87 HB2 ASN 10 HB2 ASN 10 1.728 -10.156 7.206 88 HB3 ASN 10 HB3 ASN 10 3.237 -10.838 7.807 89 HD21 ASN 10 HD21 ASN 10 0.696 -11.849 8.663 90 HD22 ASN 10 HD22 ASN 10 0.502 -11.488 10.310 91 H SER 11 H SER 11 5.423 -7.642 7.912 92 HA SER 11 HA SER 11 5.817 -7.293 5.144 93 HB2 SER 11 HB2 SER 11 8.128 -6.788 5.744 94 HB3 SER 11 HB3 SER 11 7.024 -6.023 6.883 95 HG SER 11 HG SER 11 8.970 -7.779 7.362 96 H ASP 12 H ASP 12 6.495 -10.002 7.297 97 HA ASP 12 HA ASP 12 8.346 -11.406 5.699 98 HB2 ASP 12 HB2 ASP 12 6.235 -12.384 7.637 99 HB3 ASP 12 HB3 ASP 12 7.402 -13.455 6.867 100 H LYS 13 H LYS 13 4.806 -11.416 5.774 101 HA LYS 13 HA LYS 13 4.519 -13.251 3.575 102 HB2 LYS 13 HB2 LYS 13 2.582 -11.365 4.940 103 HB3 LYS 13 HB3 LYS 13 2.127 -12.478 3.651 104 HG2 LYS 13 HG2 LYS 13 2.925 -14.382 5.001 105 HG3 LYS 13 HG3 LYS 13 3.375 -13.271 6.297 106 HD2 LYS 13 HD2 LYS 13 1.026 -12.549 6.504 107 HD3 LYS 13 HD3 LYS 13 0.571 -13.658 5.207 108 HE2 LYS 13 HE2 LYS 13 1.361 -15.566 6.553 109 HE3 LYS 13 HE3 LYS 13 1.825 -14.463 7.849 110 HZ1 LYS 13 HZ1 LYS 13 -0.932 -14.525 6.790 111 HZ2 LYS 13 HZ2 LYS 13 -0.380 -13.914 8.276 112 HZ3 LYS 13 HZ3 LYS 13 -0.434 -15.592 8.011 113 H GLY 14 H GLY 14 4.888 -9.815 3.995 114 HA2 GLY 14 HA2 GLY 14 5.625 -8.305 2.344 115 HA3 GLY 14 HA3 GLY 14 5.109 -9.438 1.104 116 H PHE 15 H PHE 15 2.672 -9.056 3.449 117 HA PHE 15 HA PHE 15 1.499 -6.663 2.320 118 HB2 PHE 15 HB2 PHE 15 -0.537 -7.750 1.449 119 HB3 PHE 15 HB3 PHE 15 0.909 -8.229 0.558 120 HD1 PHE 15 HD1 PHE 15 -1.654 -9.317 2.987 121 HD2 PHE 15 HD2 PHE 15 1.776 -10.497 0.683 122 HE1 PHE 15 HE1 PHE 15 -2.161 -11.700 3.451 123 HE2 PHE 15 HE2 PHE 15 1.269 -12.879 1.150 124 HZ PHE 15 HZ PHE 15 -0.699 -13.481 2.533 125 H GLY 16 H GLY 16 -0.819 -6.408 3.109 126 HA2 GLY 16 HA2 GLY 16 -1.516 -7.691 5.596 127 HA3 GLY 16 HA3 GLY 16 -0.942 -6.035 5.795 128 H PHE 17 H PHE 17 -3.413 -6.386 6.609 129 HA PHE 17 HA PHE 17 -5.136 -5.341 4.438 130 HB2 PHE 17 HB2 PHE 17 -5.831 -7.119 6.784 131 HB3 PHE 17 HB3 PHE 17 -7.043 -6.275 5.820 132 HD1 PHE 17 HD1 PHE 17 -4.231 -8.698 5.619 133 HD2 PHE 17 HD2 PHE 17 -7.729 -7.123 3.702 134 HE1 PHE 17 HE1 PHE 17 -4.120 -10.516 3.935 135 HE2 PHE 17 HE2 PHE 17 -7.619 -8.933 2.010 136 HZ PHE 17 HZ PHE 17 -5.814 -10.630 2.126 137 H ILE 18 H ILE 18 -6.290 -3.502 4.859 138 HA ILE 18 HA ILE 18 -5.804 -2.255 7.487 139 HB ILE 18 HB ILE 18 -4.575 -1.134 5.682 140 HG12 ILE 18 HG12 ILE 18 -6.888 0.646 6.475 141 HG13 ILE 18 HG13 ILE 18 -5.678 0.121 7.647 142 HG21 ILE 18 HG21 ILE 18 -5.905 0.094 3.935 143 HG22 ILE 18 HG22 ILE 18 -7.338 -0.777 4.481 144 HG23 ILE 18 HG23 ILE 18 -5.982 -1.661 3.779 145 HD11 ILE 18 HD11 ILE 18 -5.077 1.592 5.062 146 HD12 ILE 18 HD12 ILE 18 -3.896 1.106 6.276 147 HD13 ILE 18 HD13 ILE 18 -5.106 2.328 6.664 148 H THR 19 H THR 19 -7.389 -1.133 8.492 149 HA THR 19 HA THR 19 -10.114 -1.797 7.658 150 HB THR 19 HB THR 19 -9.091 -0.781 10.313 151 HG1 THR 19 HG1 THR 19 -8.677 -2.784 10.732 152 HG21 THR 19 HG21 THR 19 -11.774 -1.802 9.366 153 HG22 THR 19 HG22 THR 19 -11.416 -0.252 10.127 154 HG23 THR 19 HG23 THR 19 -11.334 -1.739 11.073 155 HA PRO 20 HA PRO 20 -10.117 2.575 6.202 156 HB2 PRO 20 HB2 PRO 20 -12.989 1.817 5.818 157 HB3 PRO 20 HB3 PRO 20 -11.899 2.683 4.717 158 HG2 PRO 20 HG2 PRO 20 -12.469 0.171 4.258 159 HG3 PRO 20 HG3 PRO 20 -10.797 0.742 4.081 160 HD2 PRO 20 HD2 PRO 20 -12.011 -0.849 6.324 161 HD3 PRO 20 HD3 PRO 20 -10.409 -1.006 5.567 162 H GLU 21 H GLU 21 -10.462 4.348 7.359 163 HA GLU 21 HA GLU 21 -11.495 4.351 9.966 164 HB2 GLU 21 HB2 GLU 21 -9.855 5.993 9.146 165 HB3 GLU 21 HB3 GLU 21 -11.064 6.666 8.054 166 HG2 GLU 21 HG2 GLU 21 -10.942 8.062 10.043 167 HG3 GLU 21 HG3 GLU 21 -12.489 7.213 10.017 168 H ASP 22 H ASP 22 -12.947 5.315 6.876 169 HA ASP 22 HA ASP 22 -15.332 6.419 7.919 170 HB2 ASP 22 HB2 ASP 22 -14.660 5.224 5.229 171 HB3 ASP 22 HB3 ASP 22 -16.216 5.963 5.584 172 H GLY 23 H GLY 23 -14.305 3.153 7.702 173 HA2 GLY 23 HA2 GLY 23 -15.495 1.402 8.824 174 HA3 GLY 23 HA3 GLY 23 -17.002 2.233 8.453 175 H SER 24 H SER 24 -14.880 2.266 5.810 176 HA SER 24 HA SER 24 -16.576 0.578 4.234 177 HB2 SER 24 HB2 SER 24 -13.872 1.795 3.639 178 HB3 SER 24 HB3 SER 24 -14.878 0.966 2.461 179 HG SER 24 HG SER 24 -15.076 3.485 3.477 180 H LYS 25 H LYS 25 -15.637 -1.238 2.906 181 HA LYS 25 HA LYS 25 -14.753 -3.319 4.594 182 HB2 LYS 25 HB2 LYS 25 -14.814 -3.104 1.576 183 HB3 LYS 25 HB3 LYS 25 -14.470 -4.593 2.457 184 HG2 LYS 25 HG2 LYS 25 -16.654 -4.494 3.551 185 HG3 LYS 25 HG3 LYS 25 -16.998 -2.948 2.778 186 HD2 LYS 25 HD2 LYS 25 -18.134 -4.604 1.474 187 HD3 LYS 25 HD3 LYS 25 -16.712 -4.141 0.542 188 HE2 LYS 25 HE2 LYS 25 -15.506 -6.120 1.341 189 HE3 LYS 25 HE3 LYS 25 -16.877 -6.568 2.357 190 HZ1 LYS 25 HZ1 LYS 25 -17.128 -7.833 0.435 191 HZ2 LYS 25 HZ2 LYS 25 -16.703 -6.549 -0.593 192 HZ3 LYS 25 HZ3 LYS 25 -18.201 -6.540 0.206 193 H ASP 26 H ASP 26 -12.774 -4.455 4.662 194 HA ASP 26 HA ASP 26 -10.460 -2.928 4.807 195 HB2 ASP 26 HB2 ASP 26 -10.858 -5.904 4.535 196 HB3 ASP 26 HB3 ASP 26 -9.282 -5.174 4.804 197 H LEU 27 H LEU 27 -8.709 -2.594 3.528 198 HA LEU 27 HA LEU 27 -8.985 -3.335 0.675 199 HB2 LEU 27 HB2 LEU 27 -7.614 -0.926 1.905 200 HB3 LEU 27 HB3 LEU 27 -7.678 -1.296 0.184 201 HG LEU 27 HG LEU 27 -10.146 -0.885 1.905 202 HD11 LEU 27 HD11 LEU 27 -8.698 1.162 1.724 203 HD12 LEU 27 HD12 LEU 27 -10.277 1.348 0.959 204 HD13 LEU 27 HD13 LEU 27 -8.846 1.055 -0.030 205 HD21 LEU 27 HD21 LEU 27 -10.607 -2.180 -0.100 206 HD22 LEU 27 HD22 LEU 27 -9.672 -1.061 -1.091 207 HD23 LEU 27 HD23 LEU 27 -11.194 -0.538 -0.368 208 H PHE 28 H PHE 28 -7.168 -4.024 -0.447 209 HA PHE 28 HA PHE 28 -5.173 -5.419 1.098 210 HB2 PHE 28 HB2 PHE 28 -5.559 -5.006 -1.875 211 HB3 PHE 28 HB3 PHE 28 -4.271 -5.994 -1.184 212 HD1 PHE 28 HD1 PHE 28 -7.925 -5.665 -1.627 213 HD2 PHE 28 HD2 PHE 28 -4.735 -8.140 -0.161 214 HE1 PHE 28 HE1 PHE 28 -9.495 -7.575 -1.437 215 HE2 PHE 28 HE2 PHE 28 -6.306 -10.049 0.032 216 HZ PHE 28 HZ PHE 28 -8.686 -9.767 -0.606 217 H VAL 29 H VAL 29 -3.191 -4.757 1.636 218 HA VAL 29 HA VAL 29 -2.009 -2.436 0.252 219 HB VAL 29 HB VAL 29 -2.135 -2.899 3.247 220 HG11 VAL 29 HG11 VAL 29 0.031 -1.963 2.767 221 HG12 VAL 29 HG12 VAL 29 -0.984 -0.628 3.313 222 HG13 VAL 29 HG13 VAL 29 -0.654 -0.839 1.593 223 HG21 VAL 29 HG21 VAL 29 -4.163 -1.932 2.021 224 HG22 VAL 29 HG22 VAL 29 -3.144 -0.540 1.661 225 HG23 VAL 29 HG23 VAL 29 -3.506 -0.955 3.335 226 H HIS 30 H HIS 30 0.071 -2.749 -0.348 227 HA HIS 30 HA HIS 30 1.438 -5.185 0.628 228 HB2 HIS 30 HB2 HIS 30 1.797 -3.649 -1.957 229 HB3 HIS 30 HB3 HIS 30 2.755 -5.051 -1.473 230 HD2 HIS 30 HD2 HIS 30 -0.518 -4.331 -3.309 231 HE1 HIS 30 HE1 HIS 30 -0.723 -8.380 -2.131 232 HE2 HIS 30 HE2 HIS 30 -1.797 -6.592 -3.580 233 H HIS 31 H HIS 31 3.613 -5.106 1.184 234 HA HIS 31 HA HIS 31 4.494 -2.811 2.575 235 HB2 HIS 31 HB2 HIS 31 5.218 -5.150 3.063 236 HB3 HIS 31 HB3 HIS 31 6.170 -5.133 1.578 237 HD2 HIS 31 HD2 HIS 31 6.365 -3.723 5.223 238 HE1 HIS 31 HE1 HIS 31 9.840 -2.471 3.180 239 HE2 HIS 31 HE2 HIS 31 8.704 -2.587 5.448 240 H SER 32 H SER 32 5.507 -4.170 -0.545 241 HA SER 32 HA SER 32 7.493 -2.267 -1.147 242 HB2 SER 32 HB2 SER 32 7.357 -3.115 -3.427 243 HB3 SER 32 HB3 SER 32 7.285 -4.444 -2.274 244 HG SER 32 HG SER 32 5.679 -4.507 -3.979 245 H GLU 33 H GLU 33 4.051 -1.959 -1.288 246 HA GLU 33 HA GLU 33 4.061 0.132 -3.295 247 HB2 GLU 33 HB2 GLU 33 1.885 -1.013 -1.548 248 HB3 GLU 33 HB3 GLU 33 1.616 0.297 -2.694 249 HG2 GLU 33 HG2 GLU 33 2.713 -2.442 -3.403 250 HG3 GLU 33 HG3 GLU 33 1.055 -1.914 -3.671 251 H ILE 34 H ILE 34 5.022 0.246 -0.124 252 HA ILE 34 HA ILE 34 3.620 2.535 0.825 253 HB ILE 34 HB ILE 34 5.346 2.723 2.538 254 HG12 ILE 34 HG12 ILE 34 6.881 0.540 1.079 255 HG13 ILE 34 HG13 ILE 34 7.280 2.244 0.937 256 HG21 ILE 34 HG21 ILE 34 5.340 0.219 3.278 257 HG22 ILE 34 HG22 ILE 34 4.356 -0.044 1.838 258 HG23 ILE 34 HG23 ILE 34 3.795 1.046 3.102 259 HD11 ILE 34 HD11 ILE 34 7.767 2.410 3.290 260 HD12 ILE 34 HD12 ILE 34 8.625 0.996 2.678 261 HD13 ILE 34 HD13 ILE 34 7.131 0.793 3.591 262 H GLN 35 H GLN 35 4.357 4.709 1.025 263 HA GLN 35 HA GLN 35 6.433 5.510 -0.927 264 HB2 GLN 35 HB2 GLN 35 4.132 5.887 -1.842 265 HB3 GLN 35 HB3 GLN 35 3.801 6.944 -0.472 266 HG2 GLN 35 HG2 GLN 35 5.686 8.399 -1.143 267 HG3 GLN 35 HG3 GLN 35 6.000 7.348 -2.523 268 HE21 GLN 35 HE21 GLN 35 5.126 8.197 -4.409 269 HE22 GLN 35 HE22 GLN 35 3.683 9.085 -4.502 270 H SER 36 H SER 36 8.008 6.009 0.525 271 HA SER 36 HA SER 36 7.651 8.410 2.111 272 HB2 SER 36 HB2 SER 36 6.873 6.700 3.688 273 HB3 SER 36 HB3 SER 36 8.360 5.785 3.446 274 HG SER 36 HG SER 36 9.352 7.111 4.741 275 H GLY 37 H GLY 37 9.562 9.471 2.490 276 HA2 GLY 37 HA2 GLY 37 11.773 8.919 0.828 277 HA3 GLY 37 HA3 GLY 37 11.756 10.075 2.156 278 H GLY 38 H GLY 38 11.194 8.307 4.273 279 HA2 GLY 38 HA2 GLY 38 13.814 7.285 4.820 280 HA3 GLY 38 HA3 GLY 38 12.402 7.145 5.861 281 H GLU 39 H GLU 39 14.498 5.179 5.048 282 HA GLU 39 HA GLU 39 12.878 3.155 3.651 283 HB2 GLU 39 HB2 GLU 39 15.834 3.278 4.277 284 HB3 GLU 39 HB3 GLU 39 15.041 1.903 3.509 285 HG2 GLU 39 HG2 GLU 39 15.835 3.159 1.682 286 HG3 GLU 39 HG3 GLU 39 14.146 3.632 1.793 287 H TYR 40 H TYR 40 13.291 4.078 6.779 288 HA TYR 40 HA TYR 40 13.497 1.351 7.875 289 HB2 TYR 40 HB2 TYR 40 13.579 4.048 9.237 290 HB3 TYR 40 HB3 TYR 40 13.710 2.498 10.064 291 HD1 TYR 40 HD1 TYR 40 15.399 4.903 7.863 292 HD2 TYR 40 HD2 TYR 40 15.680 1.052 9.745 293 HE1 TYR 40 HE1 TYR 40 17.829 4.837 7.367 294 HE2 TYR 40 HE2 TYR 40 18.108 0.986 9.248 295 HH TYR 40 HH TYR 40 19.948 3.139 8.791 296 H ALA 41 H ALA 41 11.027 3.045 6.674 297 HA ALA 41 HA ALA 41 9.125 3.294 8.717 298 HB1 ALA 41 HB1 ALA 41 8.945 2.867 5.749 299 HB2 ALA 41 HB2 ALA 41 8.508 4.289 6.696 300 HB3 ALA 41 HB3 ALA 41 7.484 2.852 6.738 301 H THR 42 H THR 42 7.894 1.897 9.799 302 HA THR 42 HA THR 42 7.836 -0.935 8.928 303 HB THR 42 HB THR 42 7.899 -1.599 11.303 304 HG1 THR 42 HG1 THR 42 8.309 1.177 11.699 305 HG21 THR 42 HG21 THR 42 10.006 -1.251 9.861 306 HG22 THR 42 HG22 THR 42 10.232 -1.321 11.609 307 HG23 THR 42 HG23 THR 42 10.239 0.236 10.781 308 H LEU 43 H LEU 43 5.987 -2.156 9.706 309 HA LEU 43 HA LEU 43 3.671 -0.573 10.578 310 HB2 LEU 43 HB2 LEU 43 3.865 -2.164 8.033 311 HB3 LEU 43 HB3 LEU 43 2.324 -1.987 8.854 312 HG LEU 43 HG LEU 43 3.055 0.612 8.839 313 HD11 LEU 43 HD11 LEU 43 4.168 -0.236 6.167 314 HD12 LEU 43 HD12 LEU 43 5.224 -0.201 7.573 315 HD13 LEU 43 HD13 LEU 43 4.410 1.270 7.051 316 HD21 LEU 43 HD21 LEU 43 1.846 0.749 6.553 317 HD22 LEU 43 HD22 LEU 43 0.974 -0.011 7.883 318 HD23 LEU 43 HD23 LEU 43 1.740 -1.009 6.649 319 H ALA 44 H ALA 44 2.124 -1.783 11.694 320 HA ALA 44 HA ALA 44 2.555 -4.652 12.085 321 HB1 ALA 44 HB1 ALA 44 3.059 -4.558 14.345 322 HB2 ALA 44 HB2 ALA 44 2.287 -2.987 14.560 323 HB3 ALA 44 HB3 ALA 44 3.869 -3.094 13.786 324 H ASP 45 H ASP 45 0.774 -4.693 14.456 325 HA ASP 45 HA ASP 45 -1.760 -4.514 13.051 326 HB2 ASP 45 HB2 ASP 45 -1.173 -6.497 14.432 327 HB3 ASP 45 HB3 ASP 45 -1.133 -5.466 15.856 328 H GLY 46 H GLY 46 -2.774 -2.609 12.997 329 HA2 GLY 46 HA2 GLY 46 -4.155 -1.006 14.120 330 HA3 GLY 46 HA3 GLY 46 -3.096 -1.114 15.517 331 H GLN 47 H GLN 47 -1.046 -0.980 12.941 332 HA GLN 47 HA GLN 47 -0.067 1.589 13.474 333 HB2 GLN 47 HB2 GLN 47 1.179 -0.282 12.394 334 HB3 GLN 47 HB3 GLN 47 0.239 -0.025 10.929 335 HG2 GLN 47 HG2 GLN 47 2.409 1.099 10.762 336 HG3 GLN 47 HG3 GLN 47 1.112 2.281 10.784 337 HE21 GLN 47 HE21 GLN 47 1.704 4.043 12.063 338 HE22 GLN 47 HE22 GLN 47 2.595 3.945 13.504 339 H THR 48 H THR 48 -0.679 3.562 12.837 340 HA THR 48 HA THR 48 -2.995 3.856 11.090 341 HB THR 48 HB THR 48 -1.378 5.954 12.576 342 HG1 THR 48 HG1 THR 48 -2.571 5.477 14.238 343 HG21 THR 48 HG21 THR 48 -3.163 7.457 12.128 344 HG22 THR 48 HG22 THR 48 -4.228 6.159 11.591 345 HG23 THR 48 HG23 THR 48 -2.865 6.654 10.587 346 H VAL 49 H VAL 49 -2.908 4.423 9.001 347 HA VAL 49 HA VAL 49 -0.465 5.693 7.962 348 HB VAL 49 HB VAL 49 -0.417 4.152 6.028 349 HG11 VAL 49 HG11 VAL 49 0.691 2.371 7.172 350 HG12 VAL 49 HG12 VAL 49 -0.288 2.599 8.621 351 HG13 VAL 49 HG13 VAL 49 0.918 3.805 8.172 352 HG21 VAL 49 HG21 VAL 49 -2.682 3.343 5.941 353 HG22 VAL 49 HG22 VAL 49 -2.599 2.751 7.600 354 HG23 VAL 49 HG23 VAL 49 -1.668 1.954 6.332 355 H GLU 50 H GLU 50 -0.703 6.476 5.743 356 HA GLU 50 HA GLU 50 -3.447 7.478 5.240 357 HB2 GLU 50 HB2 GLU 50 -0.783 8.648 4.354 358 HB3 GLU 50 HB3 GLU 50 -2.373 9.338 4.031 359 HG2 GLU 50 HG2 GLU 50 -2.748 9.594 6.465 360 HG3 GLU 50 HG3 GLU 50 -1.149 8.925 6.776 361 H TYR 51 H TYR 51 -4.354 7.014 3.241 362 HA TYR 51 HA TYR 51 -2.674 6.013 1.086 363 HB2 TYR 51 HB2 TYR 51 -3.870 3.874 0.868 364 HB3 TYR 51 HB3 TYR 51 -3.019 3.983 2.403 365 HD1 TYR 51 HD1 TYR 51 -6.318 4.015 0.761 366 HD2 TYR 51 HD2 TYR 51 -4.236 4.197 4.514 367 HE1 TYR 51 HE1 TYR 51 -8.448 3.613 1.963 368 HE2 TYR 51 HE2 TYR 51 -6.367 3.794 5.715 369 HH TYR 51 HH TYR 51 -8.785 4.081 5.311 370 H GLU 52 H GLU 52 -3.892 5.462 -0.852 371 HA GLU 52 HA GLU 52 -6.331 7.115 -1.136 372 HB2 GLU 52 HB2 GLU 52 -4.097 6.532 -3.097 373 HB3 GLU 52 HB3 GLU 52 -5.634 7.264 -3.566 374 HG2 GLU 52 HG2 GLU 52 -5.254 9.153 -2.102 375 HG3 GLU 52 HG3 GLU 52 -3.828 8.390 -1.408 376 H VAL 53 H VAL 53 -8.114 6.116 -1.920 377 HA VAL 53 HA VAL 53 -7.956 3.224 -2.365 378 HB VAL 53 HB VAL 53 -10.370 5.059 -2.141 379 HG11 VAL 53 HG11 VAL 53 -11.704 3.074 -1.981 380 HG12 VAL 53 HG12 VAL 53 -10.277 2.043 -1.889 381 HG13 VAL 53 HG13 VAL 53 -10.678 2.860 -3.399 382 HG21 VAL 53 HG21 VAL 53 -8.998 3.247 -0.132 383 HG22 VAL 53 HG22 VAL 53 -10.588 3.966 0.118 384 HG23 VAL 53 HG23 VAL 53 -9.168 4.999 -0.034 385 H GLY 54 H GLY 54 -7.687 2.483 -4.371 386 HA2 GLY 54 HA2 GLY 54 -8.872 3.993 -6.631 387 HA3 GLY 54 HA3 GLY 54 -7.290 3.224 -6.731 388 H GLN 55 H GLN 55 -10.431 2.883 -7.572 389 HA GLN 55 HA GLN 55 -11.155 0.266 -7.026 390 HB2 GLN 55 HB2 GLN 55 -11.745 2.010 -9.422 391 HB3 GLN 55 HB3 GLN 55 -12.503 0.436 -9.161 392 HG2 GLN 55 HG2 GLN 55 -13.465 1.173 -7.069 393 HG3 GLN 55 HG3 GLN 55 -12.565 2.685 -7.132 394 HE21 GLN 55 HE21 GLN 55 -15.553 2.254 -7.093 395 HE22 GLN 55 HE22 GLN 55 -16.131 3.040 -8.481 396 H GLY 56 H GLY 56 -11.061 -1.641 -8.218 397 HA2 GLY 56 HA2 GLY 56 -9.111 -1.879 -10.386 398 HA3 GLY 56 HA3 GLY 56 -8.822 -2.815 -8.919 399 H GLN 57 H GLN 57 -9.088 -4.335 -11.052 400 HA GLN 57 HA GLN 57 -11.713 -4.988 -11.872 401 HB2 GLN 57 HB2 GLN 57 -9.178 -6.637 -11.882 402 HB3 GLN 57 HB3 GLN 57 -10.674 -7.104 -12.690 403 HG2 GLN 57 HG2 GLN 57 -9.785 -5.990 -14.474 404 HG3 GLN 57 HG3 GLN 57 -10.370 -4.550 -13.638 405 HE21 GLN 57 HE21 GLN 57 -7.950 -4.852 -15.406 406 HE22 GLN 57 HE22 GLN 57 -6.638 -4.350 -14.453 407 H LYS 58 H LYS 58 -9.631 -6.289 -9.313 408 HA LYS 58 HA LYS 58 -11.659 -8.202 -8.468 409 HB2 LYS 58 HB2 LYS 58 -8.970 -7.434 -7.311 410 HB3 LYS 58 HB3 LYS 58 -10.021 -8.674 -6.627 411 HG2 LYS 58 HG2 LYS 58 -9.962 -9.906 -8.766 412 HG3 LYS 58 HG3 LYS 58 -8.899 -8.672 -9.445 413 HD2 LYS 58 HD2 LYS 58 -7.199 -9.172 -7.745 414 HD3 LYS 58 HD3 LYS 58 -8.261 -10.377 -7.019 415 HE2 LYS 58 HE2 LYS 58 -6.645 -11.491 -8.476 416 HE3 LYS 58 HE3 LYS 58 -8.258 -11.634 -9.169 417 HZ1 LYS 58 HZ1 LYS 58 -6.347 -10.918 -10.686 418 HZ2 LYS 58 HZ2 LYS 58 -6.478 -9.406 -9.923 419 HZ3 LYS 58 HZ3 LYS 58 -7.800 -10.048 -10.775 420 H GLY 59 H GLY 59 -10.700 -4.955 -7.749 421 HA2 GLY 59 HA2 GLY 59 -12.808 -3.941 -6.494 422 HA3 GLY 59 HA3 GLY 59 -12.099 -4.877 -5.180 423 HA PRO 60 HA PRO 60 -9.986 -0.642 -5.544 424 HB2 PRO 60 HB2 PRO 60 -10.633 0.381 -3.110 425 HB3 PRO 60 HB3 PRO 60 -11.666 0.575 -4.539 426 HG2 PRO 60 HG2 PRO 60 -11.902 -1.362 -2.285 427 HG3 PRO 60 HG3 PRO 60 -13.160 -0.410 -3.090 428 HD2 PRO 60 HD2 PRO 60 -12.732 -3.041 -3.663 429 HD3 PRO 60 HD3 PRO 60 -13.323 -1.883 -4.876 430 H CYS 61 H CYS 61 -8.035 -0.060 -4.593 431 HA CYS 61 HA CYS 61 -6.981 -1.818 -2.462 432 HB2 CYS 61 HB2 CYS 61 -5.513 -0.890 -4.946 433 HB3 CYS 61 HB3 CYS 61 -4.808 -1.823 -3.625 434 HG CYS 61 HG CYS 61 -6.899 -3.583 -4.324 435 H ALA 62 H ALA 62 -4.865 -0.810 -1.548 436 HA ALA 62 HA ALA 62 -5.263 2.128 -1.328 437 HB1 ALA 62 HB1 ALA 62 -5.634 1.642 0.851 438 HB2 ALA 62 HB2 ALA 62 -3.884 1.453 0.946 439 HB3 ALA 62 HB3 ALA 62 -4.915 0.040 0.717 440 H ASN 63 H ASN 63 -3.620 3.352 -1.994 441 HA ASN 63 HA ASN 63 -0.929 2.127 -2.231 442 HB2 ASN 63 HB2 ASN 63 -2.217 4.129 -4.101 443 HB3 ASN 63 HB3 ASN 63 -0.598 3.449 -4.262 444 HD21 ASN 63 HD21 ASN 63 -3.453 3.156 -5.720 445 HD22 ASN 63 HD22 ASN 63 -3.498 1.488 -6.027 446 H LYS 64 H LYS 64 0.840 3.751 -2.329 447 HA LYS 64 HA LYS 64 2.044 5.451 -1.376 448 HB2 LYS 64 HB2 LYS 64 -0.620 6.873 -1.588 449 HB3 LYS 64 HB3 LYS 64 0.899 7.664 -1.167 450 HG2 LYS 64 HG2 LYS 64 1.878 6.923 -3.312 451 HG3 LYS 64 HG3 LYS 64 0.353 6.142 -3.735 452 HD2 LYS 64 HD2 LYS 64 -0.800 8.320 -3.619 453 HD3 LYS 64 HD3 LYS 64 0.724 9.104 -3.200 454 HE2 LYS 64 HE2 LYS 64 1.697 8.374 -5.344 455 HE3 LYS 64 HE3 LYS 64 0.179 7.580 -5.765 456 HZ1 LYS 64 HZ1 LYS 64 0.656 9.976 -6.588 457 HZ2 LYS 64 HZ2 LYS 64 0.167 10.424 -5.023 458 HZ3 LYS 64 HZ3 LYS 64 -0.896 9.571 -6.038 459 H VAL 65 H VAL 65 1.667 3.645 0.408 460 HA VAL 65 HA VAL 65 0.169 4.463 2.724 461 HB VAL 65 HB VAL 65 2.321 2.348 2.433 462 HG11 VAL 65 HG11 VAL 65 0.231 2.742 4.596 463 HG12 VAL 65 HG12 VAL 65 1.960 3.033 4.782 464 HG13 VAL 65 HG13 VAL 65 1.369 1.397 4.496 465 HG21 VAL 65 HG21 VAL 65 -0.667 1.908 2.548 466 HG22 VAL 65 HG22 VAL 65 0.591 0.782 2.036 467 HG23 VAL 65 HG23 VAL 65 0.175 2.156 1.017 468 H VAL 66 H VAL 66 0.748 5.935 4.105 469 HA VAL 66 HA VAL 66 3.620 6.542 4.539 470 HB VAL 66 HB VAL 66 1.284 8.483 4.635 471 HG11 VAL 66 HG11 VAL 66 3.149 10.187 4.819 472 HG12 VAL 66 HG12 VAL 66 4.256 8.845 5.109 473 HG13 VAL 66 HG13 VAL 66 2.944 9.168 6.244 474 HG21 VAL 66 HG21 VAL 66 3.529 8.077 2.642 475 HG22 VAL 66 HG22 VAL 66 2.532 9.530 2.693 476 HG23 VAL 66 HG23 VAL 66 1.795 7.967 2.337 477 H ALA 67 H ALA 67 4.283 6.117 6.546 478 HA ALA 67 HA ALA 67 2.490 5.260 8.596 479 HB1 ALA 67 HB1 ALA 67 4.639 5.390 10.008 480 HB2 ALA 67 HB2 ALA 67 5.449 5.823 8.502 481 HB3 ALA 67 HB3 ALA 67 4.628 4.268 8.647 482 H VAL 68 H VAL 68 1.651 6.321 10.295 483 HA VAL 68 HA VAL 68 2.582 9.033 10.929 484 HB VAL 68 HB VAL 68 0.247 9.875 11.006 485 HG11 VAL 68 HG11 VAL 68 -0.058 10.003 8.533 486 HG12 VAL 68 HG12 VAL 68 1.180 8.761 8.346 487 HG13 VAL 68 HG13 VAL 68 1.601 10.330 9.034 488 HG21 VAL 68 HG21 VAL 68 -1.569 8.614 10.029 489 HG22 VAL 68 HG22 VAL 68 -0.801 7.576 11.231 490 HG23 VAL 68 HG23 VAL 68 -0.473 7.331 9.515 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -6.160 14.094 2.609 2 H2 MET 1 HT2 MET 1 -7.585 13.479 1.921 3 H3 MET 1 HT3 MET 1 -6.363 14.110 0.926 4 HA MET 1 HA MET 1 -6.095 11.824 0.722 5 HB2 MET 1 HB2 MET 1 -4.266 12.908 2.881 6 HB3 MET 1 HB3 MET 1 -4.004 11.361 2.076 7 HG2 MET 1 HG2 MET 1 -3.835 12.457 -0.087 8 HG3 MET 1 HG3 MET 1 -4.254 14.013 0.630 9 HE1 MET 1 HE1 MET 1 -0.394 11.596 1.136 10 HE2 MET 1 HE2 MET 1 -1.813 11.198 0.170 11 HE3 MET 1 HE3 MET 1 -1.891 11.081 1.926 12 H SER 2 H SER 2 -7.141 10.043 1.300 13 HA SER 2 HA SER 2 -8.475 9.758 3.805 14 HB2 SER 2 HB2 SER 2 -7.952 7.754 1.600 15 HB3 SER 2 HB3 SER 2 -9.017 7.476 2.974 16 HG SER 2 HG SER 2 -9.579 8.681 0.701 17 H LYS 3 H LYS 3 -8.113 8.209 5.436 18 HA LYS 3 HA LYS 3 -5.676 6.651 5.510 19 HB2 LYS 3 HB2 LYS 3 -4.708 7.772 7.468 20 HB3 LYS 3 HB3 LYS 3 -4.809 8.874 6.099 21 HG2 LYS 3 HG2 LYS 3 -6.889 9.841 7.025 22 HG3 LYS 3 HG3 LYS 3 -6.776 8.743 8.404 23 HD2 LYS 3 HD2 LYS 3 -4.603 9.736 9.021 24 HD3 LYS 3 HD3 LYS 3 -4.712 10.831 7.644 25 HE2 LYS 3 HE2 LYS 3 -6.779 11.803 8.569 26 HE3 LYS 3 HE3 LYS 3 -6.681 10.704 9.946 27 HZ1 LYS 3 HZ1 LYS 3 -4.400 11.688 10.325 28 HZ2 LYS 3 HZ2 LYS 3 -5.724 12.697 10.666 29 HZ3 LYS 3 HZ3 LYS 3 -4.841 12.908 9.229 30 H GLY 4 H GLY 4 -5.692 5.087 7.130 31 HA2 GLY 4 HA2 GLY 4 -7.938 5.060 9.024 32 HA3 GLY 4 HA3 GLY 4 -7.822 3.740 7.866 33 H ILE 5 H ILE 5 -7.693 2.438 9.862 34 HA ILE 5 HA ILE 5 -4.934 2.380 10.945 35 HB ILE 5 HB ILE 5 -5.962 1.139 12.899 36 HG12 ILE 5 HG12 ILE 5 -8.584 2.322 11.942 37 HG13 ILE 5 HG13 ILE 5 -8.136 0.661 11.567 38 HG21 ILE 5 HG21 ILE 5 -6.796 3.996 12.321 39 HG22 ILE 5 HG22 ILE 5 -5.317 3.463 13.122 40 HG23 ILE 5 HG23 ILE 5 -6.877 3.247 13.917 41 HD11 ILE 5 HD11 ILE 5 -8.180 1.778 14.383 42 HD12 ILE 5 HD12 ILE 5 -8.012 0.088 13.909 43 HD13 ILE 5 HD13 ILE 5 -9.543 0.928 13.656 44 H VAL 6 H VAL 6 -3.755 0.672 10.534 45 HA VAL 6 HA VAL 6 -4.650 -1.344 8.766 46 HB VAL 6 HB VAL 6 -2.114 -1.219 10.423 47 HG11 VAL 6 HG11 VAL 6 -1.280 -2.715 8.487 48 HG12 VAL 6 HG12 VAL 6 -2.984 -3.004 8.139 49 HG13 VAL 6 HG13 VAL 6 -2.312 -3.477 9.699 50 HG21 VAL 6 HG21 VAL 6 -1.102 -0.171 8.535 51 HG22 VAL 6 HG22 VAL 6 -2.638 0.669 8.746 52 HG23 VAL 6 HG23 VAL 6 -2.471 -0.554 7.488 53 H LYS 7 H LYS 7 -5.752 -3.088 9.165 54 HA LYS 7 HA LYS 7 -6.478 -3.984 11.768 55 HB2 LYS 7 HB2 LYS 7 -7.877 -4.350 9.736 56 HB3 LYS 7 HB3 LYS 7 -6.660 -5.468 9.123 57 HG2 LYS 7 HG2 LYS 7 -6.989 -6.920 11.088 58 HG3 LYS 7 HG3 LYS 7 -8.191 -5.796 11.725 59 HD2 LYS 7 HD2 LYS 7 -9.593 -6.150 9.727 60 HD3 LYS 7 HD3 LYS 7 -8.396 -7.276 9.087 61 HE2 LYS 7 HE2 LYS 7 -8.713 -8.739 11.044 62 HE3 LYS 7 HE3 LYS 7 -9.902 -7.612 11.697 63 HZ1 LYS 7 HZ1 LYS 7 -10.219 -8.733 8.987 64 HZ2 LYS 7 HZ2 LYS 7 -11.402 -8.095 10.025 65 HZ3 LYS 7 HZ3 LYS 7 -10.719 -9.617 10.346 66 H TRP 8 H TRP 8 -4.216 -5.166 9.302 67 HA TRP 8 HA TRP 8 -2.456 -6.291 11.297 68 HB2 TRP 8 HB2 TRP 8 -4.349 -8.011 10.844 69 HB3 TRP 8 HB3 TRP 8 -3.587 -8.221 9.270 70 HD1 TRP 8 HD1 TRP 8 -1.272 -9.457 9.172 71 HE1 TRP 8 HE1 TRP 8 0.054 -10.839 10.899 72 HE3 TRP 8 HE3 TRP 8 -3.802 -8.212 13.428 73 HZ2 TRP 8 HZ2 TRP 8 0.042 -11.351 13.712 74 HZ3 TRP 8 HZ3 TRP 8 -3.129 -9.164 15.615 75 HH2 TRP 8 HH2 TRP 8 -1.212 -10.731 15.763 76 H PHE 9 H PHE 9 -0.431 -5.952 10.549 77 HA PHE 9 HA PHE 9 -0.065 -5.679 7.612 78 HB2 PHE 9 HB2 PHE 9 0.466 -3.677 9.096 79 HB3 PHE 9 HB3 PHE 9 1.802 -4.629 9.748 80 HD1 PHE 9 HD1 PHE 9 0.583 -2.707 6.903 81 HD2 PHE 9 HD2 PHE 9 3.623 -5.440 8.225 82 HE1 PHE 9 HE1 PHE 9 1.962 -2.128 4.926 83 HE2 PHE 9 HE2 PHE 9 5.006 -4.855 6.250 84 HZ PHE 9 HZ PHE 9 4.173 -3.200 4.601 85 H ASN 10 H ASN 10 0.989 -7.305 6.629 86 HA ASN 10 HA ASN 10 2.951 -8.864 8.215 87 HB2 ASN 10 HB2 ASN 10 0.922 -9.823 6.197 88 HB3 ASN 10 HB3 ASN 10 2.302 -10.797 6.695 89 HD21 ASN 10 HD21 ASN 10 -0.514 -11.461 7.211 90 HD22 ASN 10 HD22 ASN 10 -0.707 -11.492 8.897 91 H SER 11 H SER 11 4.747 -7.706 7.488 92 HA SER 11 HA SER 11 5.296 -7.043 4.812 93 HB2 SER 11 HB2 SER 11 7.591 -6.704 5.581 94 HB3 SER 11 HB3 SER 11 6.453 -6.048 6.755 95 HG SER 11 HG SER 11 7.828 -7.259 7.939 96 H ASP 12 H ASP 12 5.802 -10.004 6.648 97 HA ASP 12 HA ASP 12 7.680 -11.286 4.987 98 HB2 ASP 12 HB2 ASP 12 6.971 -12.138 7.209 99 HB3 ASP 12 HB3 ASP 12 5.398 -12.555 6.527 100 H LYS 13 H LYS 13 4.136 -11.270 4.929 101 HA LYS 13 HA LYS 13 3.937 -12.802 2.499 102 HB2 LYS 13 HB2 LYS 13 1.898 -11.083 3.943 103 HB3 LYS 13 HB3 LYS 13 1.542 -12.165 2.602 104 HG2 LYS 13 HG2 LYS 13 2.808 -13.098 5.192 105 HG3 LYS 13 HG3 LYS 13 1.069 -13.134 4.895 106 HD2 LYS 13 HD2 LYS 13 1.468 -14.571 2.897 107 HD3 LYS 13 HD3 LYS 13 3.192 -14.586 3.278 108 HE2 LYS 13 HE2 LYS 13 2.702 -15.604 5.471 109 HE3 LYS 13 HE3 LYS 13 0.981 -15.594 5.092 110 HZ1 LYS 13 HZ1 LYS 13 3.024 -16.974 3.442 111 HZ2 LYS 13 HZ2 LYS 13 1.337 -17.081 3.290 112 HZ3 LYS 13 HZ3 LYS 13 2.114 -17.742 4.650 113 H GLY 14 H GLY 14 4.449 -9.482 3.307 114 HA2 GLY 14 HA2 GLY 14 5.158 -7.785 1.856 115 HA3 GLY 14 HA3 GLY 14 4.626 -8.756 0.491 116 H PHE 15 H PHE 15 2.188 -8.620 2.846 117 HA PHE 15 HA PHE 15 1.051 -6.091 2.028 118 HB2 PHE 15 HB2 PHE 15 -1.003 -7.039 1.047 119 HB3 PHE 15 HB3 PHE 15 0.429 -7.423 0.093 120 HD1 PHE 15 HD1 PHE 15 -2.122 -8.768 2.406 121 HD2 PHE 15 HD2 PHE 15 1.249 -9.697 -0.089 122 HE1 PHE 15 HE1 PHE 15 -2.665 -11.183 2.571 123 HE2 PHE 15 HE2 PHE 15 0.709 -12.110 0.080 124 HZ PHE 15 HZ PHE 15 -1.248 -12.853 1.409 125 H GLY 16 H GLY 16 -1.289 -5.934 2.868 126 HA2 GLY 16 HA2 GLY 16 -1.920 -7.500 5.211 127 HA3 GLY 16 HA3 GLY 16 -1.365 -5.868 5.579 128 H PHE 17 H PHE 17 -3.798 -6.329 6.419 129 HA PHE 17 HA PHE 17 -5.636 -5.186 4.396 130 HB2 PHE 17 HB2 PHE 17 -6.236 -6.920 6.811 131 HB3 PHE 17 HB3 PHE 17 -7.459 -6.168 5.788 132 HD1 PHE 17 HD1 PHE 17 -4.841 -8.753 5.976 133 HD2 PHE 17 HD2 PHE 17 -7.869 -6.956 3.518 134 HE1 PHE 17 HE1 PHE 17 -4.695 -10.662 4.400 135 HE2 PHE 17 HE2 PHE 17 -7.723 -8.864 1.943 136 HZ PHE 17 HZ PHE 17 -6.136 -10.717 2.381 137 H ILE 18 H ILE 18 -6.596 -3.250 4.875 138 HA ILE 18 HA ILE 18 -6.038 -2.140 7.547 139 HB ILE 18 HB ILE 18 -4.820 -0.987 5.755 140 HG12 ILE 18 HG12 ILE 18 -7.048 0.835 6.694 141 HG13 ILE 18 HG13 ILE 18 -5.831 0.209 7.811 142 HG21 ILE 18 HG21 ILE 18 -6.170 -1.290 3.828 143 HG22 ILE 18 HG22 ILE 18 -6.282 0.434 4.175 144 HG23 ILE 18 HG23 ILE 18 -7.603 -0.644 4.627 145 HD11 ILE 18 HD11 ILE 18 -5.117 1.659 5.251 146 HD12 ILE 18 HD12 ILE 18 -4.053 1.256 6.598 147 HD13 ILE 18 HD13 ILE 18 -5.304 2.482 6.801 148 H THR 19 H THR 19 -7.569 -1.048 8.658 149 HA THR 19 HA THR 19 -10.331 -1.582 7.851 150 HB THR 19 HB THR 19 -9.204 -0.760 10.534 151 HG1 THR 19 HG1 THR 19 -8.816 -2.792 10.782 152 HG21 THR 19 HG21 THR 19 -11.392 -1.406 11.411 153 HG22 THR 19 HG22 THR 19 -11.930 -1.877 9.798 154 HG23 THR 19 HG23 THR 19 -11.607 -0.180 10.160 155 HA PRO 20 HA PRO 20 -10.306 2.897 6.725 156 HB2 PRO 20 HB2 PRO 20 -13.197 2.202 6.343 157 HB3 PRO 20 HB3 PRO 20 -12.117 3.127 5.282 158 HG2 PRO 20 HG2 PRO 20 -12.742 0.663 4.658 159 HG3 PRO 20 HG3 PRO 20 -11.066 1.219 4.479 160 HD2 PRO 20 HD2 PRO 20 -12.255 -0.507 6.634 161 HD3 PRO 20 HD3 PRO 20 -10.675 -0.645 5.823 162 H GLU 21 H GLU 21 -10.573 4.548 8.142 163 HA GLU 21 HA GLU 21 -11.713 4.171 10.709 164 HB2 GLU 21 HB2 GLU 21 -11.297 6.577 11.029 165 HB3 GLU 21 HB3 GLU 21 -9.902 5.776 10.309 166 HG2 GLU 21 HG2 GLU 21 -10.649 6.543 8.061 167 HG3 GLU 21 HG3 GLU 21 -11.995 7.388 8.813 168 H ASP 22 H ASP 22 -13.023 5.363 7.700 169 HA ASP 22 HA ASP 22 -15.338 6.648 8.774 170 HB2 ASP 22 HB2 ASP 22 -14.666 5.588 6.028 171 HB3 ASP 22 HB3 ASP 22 -16.181 6.404 6.394 172 H GLY 23 H GLY 23 -14.511 3.338 8.240 173 HA2 GLY 23 HA2 GLY 23 -15.829 1.595 9.267 174 HA3 GLY 23 HA3 GLY 23 -17.273 2.530 8.901 175 H SER 24 H SER 24 -15.102 2.608 6.304 176 HA SER 24 HA SER 24 -16.820 1.062 4.615 177 HB2 SER 24 HB2 SER 24 -14.087 2.264 4.124 178 HB3 SER 24 HB3 SER 24 -15.102 1.536 2.886 179 HG SER 24 HG SER 24 -16.538 3.150 3.095 180 H LYS 25 H LYS 25 -15.875 -0.662 3.177 181 HA LYS 25 HA LYS 25 -15.015 -2.859 4.741 182 HB2 LYS 25 HB2 LYS 25 -15.027 -2.517 1.730 183 HB3 LYS 25 HB3 LYS 25 -14.826 -4.048 2.576 184 HG2 LYS 25 HG2 LYS 25 -17.250 -2.263 2.935 185 HG3 LYS 25 HG3 LYS 25 -17.186 -3.581 1.768 186 HD2 LYS 25 HD2 LYS 25 -16.675 -5.160 3.642 187 HD3 LYS 25 HD3 LYS 25 -16.881 -3.826 4.778 188 HE2 LYS 25 HE2 LYS 25 -19.008 -4.756 2.829 189 HE3 LYS 25 HE3 LYS 25 -18.945 -5.215 4.530 190 HZ1 LYS 25 HZ1 LYS 25 -20.396 -3.368 4.335 191 HZ2 LYS 25 HZ2 LYS 25 -19.276 -2.489 3.410 192 HZ3 LYS 25 HZ3 LYS 25 -18.968 -2.796 5.052 193 H ASP 26 H ASP 26 -13.055 -4.026 4.695 194 HA ASP 26 HA ASP 26 -10.727 -2.516 4.892 195 HB2 ASP 26 HB2 ASP 26 -11.104 -5.481 4.461 196 HB3 ASP 26 HB3 ASP 26 -9.559 -4.731 4.867 197 H LEU 27 H LEU 27 -8.970 -2.192 3.620 198 HA LEU 27 HA LEU 27 -9.271 -2.805 0.737 199 HB2 LEU 27 HB2 LEU 27 -7.920 -0.434 2.061 200 HB3 LEU 27 HB3 LEU 27 -7.965 -0.741 0.327 201 HG LEU 27 HG LEU 27 -10.463 -0.444 2.022 202 HD11 LEU 27 HD11 LEU 27 -10.572 1.838 0.898 203 HD12 LEU 27 HD12 LEU 27 -8.886 1.597 0.436 204 HD13 LEU 27 HD13 LEU 27 -9.331 1.667 2.141 205 HD21 LEU 27 HD21 LEU 27 -9.907 -0.449 -0.963 206 HD22 LEU 27 HD22 LEU 27 -11.447 0.050 -0.265 207 HD23 LEU 27 HD23 LEU 27 -10.884 -1.608 -0.059 208 H PHE 28 H PHE 28 -7.386 -3.365 -0.429 209 HA PHE 28 HA PHE 28 -5.404 -4.805 1.117 210 HB2 PHE 28 HB2 PHE 28 -5.812 -4.390 -1.851 211 HB3 PHE 28 HB3 PHE 28 -4.479 -5.332 -1.181 212 HD1 PHE 28 HD1 PHE 28 -8.146 -5.146 -1.597 213 HD2 PHE 28 HD2 PHE 28 -4.854 -7.488 -0.139 214 HE1 PHE 28 HE1 PHE 28 -9.639 -7.116 -1.389 215 HE2 PHE 28 HE2 PHE 28 -6.347 -9.457 0.071 216 HZ PHE 28 HZ PHE 28 -8.739 -9.270 -0.555 217 H VAL 29 H VAL 29 -3.381 -4.165 1.601 218 HA VAL 29 HA VAL 29 -2.278 -1.772 0.267 219 HB VAL 29 HB VAL 29 -2.271 -2.304 3.251 220 HG11 VAL 29 HG11 VAL 29 -0.188 -1.243 2.684 221 HG12 VAL 29 HG12 VAL 29 -1.241 0.022 3.315 222 HG13 VAL 29 HG13 VAL 29 -0.990 -0.130 1.575 223 HG21 VAL 29 HG21 VAL 29 -3.740 -0.439 3.459 224 HG22 VAL 29 HG22 VAL 29 -4.413 -1.426 2.161 225 HG23 VAL 29 HG23 VAL 29 -3.498 0.031 1.778 226 H HIS 30 H HIS 30 -0.167 -1.963 -0.307 227 HA HIS 30 HA HIS 30 1.236 -4.438 0.498 228 HB2 HIS 30 HB2 HIS 30 1.497 -2.707 -1.963 229 HB3 HIS 30 HB3 HIS 30 2.590 -4.038 -1.581 230 HD2 HIS 30 HD2 HIS 30 1.564 -6.587 -2.146 231 HE1 HIS 30 HE1 HIS 30 -2.300 -5.341 -3.306 232 HE2 HIS 30 HE2 HIS 30 -0.719 -7.325 -3.176 233 H HIS 31 H HIS 31 3.384 -4.373 1.090 234 HA HIS 31 HA HIS 31 4.234 -2.169 2.652 235 HB2 HIS 31 HB2 HIS 31 4.923 -4.548 3.016 236 HB3 HIS 31 HB3 HIS 31 5.937 -4.433 1.579 237 HD2 HIS 31 HD2 HIS 31 6.035 -3.374 5.331 238 HE1 HIS 31 HE1 HIS 31 9.497 -1.816 3.490 239 HE2 HIS 31 HE2 HIS 31 8.335 -2.206 5.712 240 H SER 32 H SER 32 5.260 -3.332 -0.534 241 HA SER 32 HA SER 32 7.344 -1.530 -1.003 242 HB2 SER 32 HB2 SER 32 5.504 -2.934 -2.937 243 HB3 SER 32 HB3 SER 32 6.952 -2.054 -3.418 244 HG SER 32 HG SER 32 6.670 -4.480 -2.101 245 H GLU 33 H GLU 33 3.939 -0.908 -1.053 246 HA GLU 33 HA GLU 33 3.926 1.235 -2.927 247 HB2 GLU 33 HB2 GLU 33 2.039 0.457 -0.707 248 HB3 GLU 33 HB3 GLU 33 1.739 1.818 -1.789 249 HG2 GLU 33 HG2 GLU 33 1.737 0.380 -3.722 250 HG3 GLU 33 HG3 GLU 33 2.303 -0.988 -2.775 251 H ILE 34 H ILE 34 4.812 1.090 0.455 252 HA ILE 34 HA ILE 34 4.405 3.787 1.147 253 HB ILE 34 HB ILE 34 4.865 2.006 2.789 254 HG12 ILE 34 HG12 ILE 34 7.039 4.101 3.010 255 HG13 ILE 34 HG13 ILE 34 5.338 4.510 3.197 256 HG21 ILE 34 HG21 ILE 34 6.831 0.810 2.907 257 HG22 ILE 34 HG22 ILE 34 7.821 2.146 2.323 258 HG23 ILE 34 HG23 ILE 34 6.892 1.177 1.184 259 HD11 ILE 34 HD11 ILE 34 6.670 3.931 5.339 260 HD12 ILE 34 HD12 ILE 34 6.580 2.260 4.781 261 HD13 ILE 34 HD13 ILE 34 5.100 3.158 5.122 262 H GLN 35 H GLN 35 5.548 5.615 0.876 263 HA GLN 35 HA GLN 35 8.139 5.476 -0.539 264 HB2 GLN 35 HB2 GLN 35 5.814 7.312 -1.167 265 HB3 GLN 35 HB3 GLN 35 7.431 7.479 -1.847 266 HG2 GLN 35 HG2 GLN 35 7.263 5.213 -2.811 267 HG3 GLN 35 HG3 GLN 35 5.645 5.045 -2.134 268 HE21 GLN 35 HE21 GLN 35 4.349 5.091 -4.015 269 HE22 GLN 35 HE22 GLN 35 4.363 6.363 -5.140 270 H SER 36 H SER 36 9.540 7.267 -0.173 271 HA SER 36 HA SER 36 10.613 8.807 1.147 272 HB2 SER 36 HB2 SER 36 8.672 10.202 0.370 273 HB3 SER 36 HB3 SER 36 7.815 9.748 1.840 274 HG SER 36 HG SER 36 8.878 11.310 2.746 275 H GLY 37 H GLY 37 10.096 9.899 3.635 276 HA2 GLY 37 HA2 GLY 37 9.863 9.439 5.907 277 HA3 GLY 37 HA3 GLY 37 9.238 7.845 5.495 278 H GLY 38 H GLY 38 10.613 7.031 7.210 279 HA2 GLY 38 HA2 GLY 38 13.450 7.264 7.164 280 HA3 GLY 38 HA3 GLY 38 12.524 6.060 8.058 281 H GLU 39 H GLU 39 14.956 5.472 6.788 282 HA GLU 39 HA GLU 39 14.733 4.394 4.198 283 HB2 GLU 39 HB2 GLU 39 16.884 4.815 5.368 284 HB3 GLU 39 HB3 GLU 39 16.532 3.476 6.459 285 HG2 GLU 39 HG2 GLU 39 16.511 1.909 4.575 286 HG3 GLU 39 HG3 GLU 39 16.773 3.235 3.444 287 H TYR 40 H TYR 40 14.216 2.938 7.401 288 HA TYR 40 HA TYR 40 12.963 0.603 6.072 289 HB2 TYR 40 HB2 TYR 40 14.338 0.765 8.764 290 HB3 TYR 40 HB3 TYR 40 13.480 -0.650 8.158 291 HD1 TYR 40 HD1 TYR 40 16.509 1.388 7.901 292 HD2 TYR 40 HD2 TYR 40 14.328 -1.889 6.184 293 HE1 TYR 40 HE1 TYR 40 18.541 0.681 6.666 294 HE2 TYR 40 HE2 TYR 40 16.358 -2.596 4.950 295 HH TYR 40 HH TYR 40 18.692 -0.983 4.175 296 H ALA 41 H ALA 41 10.825 0.740 6.155 297 HA ALA 41 HA ALA 41 9.524 2.149 8.382 298 HB1 ALA 41 HB1 ALA 41 8.035 1.021 6.043 299 HB2 ALA 41 HB2 ALA 41 9.018 2.468 5.822 300 HB3 ALA 41 HB3 ALA 41 7.699 2.468 6.992 301 H THR 42 H THR 42 8.465 1.107 9.956 302 HA THR 42 HA THR 42 8.052 -1.808 9.671 303 HB THR 42 HB THR 42 8.392 -0.149 12.192 304 HG1 THR 42 HG1 THR 42 10.418 -1.074 12.239 305 HG21 THR 42 HG21 THR 42 7.026 -2.124 12.615 306 HG22 THR 42 HG22 THR 42 8.643 -2.401 13.263 307 HG23 THR 42 HG23 THR 42 8.168 -3.140 11.735 308 H LEU 43 H LEU 43 6.054 -2.601 9.801 309 HA LEU 43 HA LEU 43 3.891 -0.964 10.934 310 HB2 LEU 43 HB2 LEU 43 3.821 -2.288 8.212 311 HB3 LEU 43 HB3 LEU 43 2.409 -1.642 9.040 312 HG LEU 43 HG LEU 43 3.985 0.552 9.188 313 HD11 LEU 43 HD11 LEU 43 4.812 -0.643 6.530 314 HD12 LEU 43 HD12 LEU 43 5.837 -0.729 7.961 315 HD13 LEU 43 HD13 LEU 43 5.399 0.838 7.286 316 HD21 LEU 43 HD21 LEU 43 2.904 1.331 7.061 317 HD22 LEU 43 HD22 LEU 43 1.776 0.558 8.173 318 HD23 LEU 43 HD23 LEU 43 2.373 -0.327 6.770 319 H ALA 44 H ALA 44 2.223 -2.163 11.862 320 HA ALA 44 HA ALA 44 2.354 -5.088 11.755 321 HB1 ALA 44 HB1 ALA 44 2.364 -3.706 14.438 322 HB2 ALA 44 HB2 ALA 44 3.866 -4.134 13.621 323 HB3 ALA 44 HB3 ALA 44 2.716 -5.394 14.070 324 H ASP 45 H ASP 45 0.579 -5.174 14.228 325 HA ASP 45 HA ASP 45 -1.932 -4.714 12.844 326 HB2 ASP 45 HB2 ASP 45 -1.546 -6.793 14.123 327 HB3 ASP 45 HB3 ASP 45 -1.354 -5.850 15.593 328 H GLY 46 H GLY 46 -2.758 -2.707 12.890 329 HA2 GLY 46 HA2 GLY 46 -4.038 -1.103 14.156 330 HA3 GLY 46 HA3 GLY 46 -2.914 -1.314 15.488 331 H GLN 47 H GLN 47 -1.090 -1.166 12.693 332 HA GLN 47 HA GLN 47 0.053 1.348 13.302 333 HB2 GLN 47 HB2 GLN 47 1.186 -0.527 12.081 334 HB3 GLN 47 HB3 GLN 47 0.183 -0.160 10.678 335 HG2 GLN 47 HG2 GLN 47 2.354 0.931 10.435 336 HG3 GLN 47 HG3 GLN 47 1.103 2.147 10.655 337 HE21 GLN 47 HE21 GLN 47 1.890 3.784 11.985 338 HE22 GLN 47 HE22 GLN 47 2.857 3.543 13.358 339 H THR 48 H THR 48 -0.511 3.361 12.733 340 HA THR 48 HA THR 48 -2.895 3.771 11.094 341 HB THR 48 HB THR 48 -1.168 5.776 12.587 342 HG1 THR 48 HG1 THR 48 -2.359 5.323 14.266 343 HG21 THR 48 HG21 THR 48 -3.997 6.031 11.520 344 HG22 THR 48 HG22 THR 48 -2.575 6.719 10.738 345 HG23 THR 48 HG23 THR 48 -3.062 7.286 12.335 346 H VAL 49 H VAL 49 -2.845 4.312 8.997 347 HA VAL 49 HA VAL 49 -0.450 5.638 7.917 348 HB VAL 49 HB VAL 49 -0.391 4.108 5.974 349 HG11 VAL 49 HG11 VAL 49 0.758 2.325 7.096 350 HG12 VAL 49 HG12 VAL 49 -0.178 2.570 8.572 351 HG13 VAL 49 HG13 VAL 49 1.005 3.777 8.066 352 HG21 VAL 49 HG21 VAL 49 -2.481 2.607 7.579 353 HG22 VAL 49 HG22 VAL 49 -1.582 1.895 6.240 354 HG23 VAL 49 HG23 VAL 49 -2.657 3.261 5.951 355 H GLU 50 H GLU 50 -0.774 6.347 5.638 356 HA GLU 50 HA GLU 50 -3.548 7.307 5.232 357 HB2 GLU 50 HB2 GLU 50 -0.949 8.547 4.262 358 HB3 GLU 50 HB3 GLU 50 -2.565 9.196 4.003 359 HG2 GLU 50 HG2 GLU 50 -2.853 9.439 6.449 360 HG3 GLU 50 HG3 GLU 50 -1.231 8.806 6.700 361 H TYR 51 H TYR 51 -4.486 6.873 3.245 362 HA TYR 51 HA TYR 51 -2.861 5.870 1.046 363 HB2 TYR 51 HB2 TYR 51 -4.112 3.754 0.850 364 HB3 TYR 51 HB3 TYR 51 -3.215 3.836 2.359 365 HD1 TYR 51 HD1 TYR 51 -6.551 3.894 0.812 366 HD2 TYR 51 HD2 TYR 51 -4.375 4.132 4.508 367 HE1 TYR 51 HE1 TYR 51 -8.659 3.558 2.075 368 HE2 TYR 51 HE2 TYR 51 -6.482 3.793 5.771 369 HH TYR 51 HH TYR 51 -8.901 4.104 5.424 370 H GLU 52 H GLU 52 -4.110 5.420 -0.895 371 HA GLU 52 HA GLU 52 -6.636 6.958 -1.027 372 HB2 GLU 52 HB2 GLU 52 -4.381 6.851 -3.044 373 HB3 GLU 52 HB3 GLU 52 -5.966 7.550 -3.370 374 HG2 GLU 52 HG2 GLU 52 -5.661 9.136 -1.508 375 HG3 GLU 52 HG3 GLU 52 -4.085 8.433 -1.161 376 H VAL 53 H VAL 53 -8.308 5.906 -1.906 377 HA VAL 53 HA VAL 53 -8.251 3.133 -2.354 378 HB VAL 53 HB VAL 53 -10.279 4.396 -1.715 379 HG11 VAL 53 HG11 VAL 53 -11.498 5.742 -3.314 380 HG12 VAL 53 HG12 VAL 53 -10.341 5.355 -4.588 381 HG13 VAL 53 HG13 VAL 53 -9.848 6.357 -3.223 382 HG21 VAL 53 HG21 VAL 53 -10.611 2.956 -4.364 383 HG22 VAL 53 HG22 VAL 53 -11.855 3.183 -3.135 384 HG23 VAL 53 HG23 VAL 53 -10.460 2.157 -2.799 385 H GLY 54 H GLY 54 -8.488 1.914 -4.236 386 HA2 GLY 54 HA2 GLY 54 -7.947 3.178 -6.828 387 HA3 GLY 54 HA3 GLY 54 -6.809 1.958 -6.254 388 H GLN 55 H GLN 55 -8.206 1.569 -8.624 389 HA GLN 55 HA GLN 55 -10.399 -0.279 -7.974 390 HB2 GLN 55 HB2 GLN 55 -9.474 0.953 -10.575 391 HB3 GLN 55 HB3 GLN 55 -10.744 -0.271 -10.471 392 HG2 GLN 55 HG2 GLN 55 -12.102 1.160 -9.075 393 HG3 GLN 55 HG3 GLN 55 -10.802 2.339 -8.932 394 HE21 GLN 55 HE21 GLN 55 -13.570 2.680 -10.101 395 HE22 GLN 55 HE22 GLN 55 -13.314 3.236 -11.683 396 H GLY 56 H GLY 56 -10.328 -2.424 -8.379 397 HA2 GLY 56 HA2 GLY 56 -8.024 -3.585 -9.783 398 HA3 GLY 56 HA3 GLY 56 -8.309 -4.085 -8.118 399 H GLN 57 H GLN 57 -8.382 -5.761 -10.475 400 HA GLN 57 HA GLN 57 -11.011 -6.300 -11.358 401 HB2 GLN 57 HB2 GLN 57 -8.536 -8.027 -11.230 402 HB3 GLN 57 HB3 GLN 57 -10.040 -8.540 -11.996 403 HG2 GLN 57 HG2 GLN 57 -9.954 -6.579 -13.489 404 HG3 GLN 57 HG3 GLN 57 -8.453 -6.063 -12.721 405 HE21 GLN 57 HE21 GLN 57 -6.953 -6.403 -14.418 406 HE22 GLN 57 HE22 GLN 57 -6.707 -7.906 -15.169 407 H LYS 58 H LYS 58 -9.094 -7.648 -8.689 408 HA LYS 58 HA LYS 58 -11.255 -9.427 -7.888 409 HB2 LYS 58 HB2 LYS 58 -8.540 -8.854 -6.689 410 HB3 LYS 58 HB3 LYS 58 -9.684 -10.025 -6.031 411 HG2 LYS 58 HG2 LYS 58 -9.681 -11.237 -8.185 412 HG3 LYS 58 HG3 LYS 58 -8.527 -10.074 -8.834 413 HD2 LYS 58 HD2 LYS 58 -6.891 -10.711 -7.112 414 HD3 LYS 58 HD3 LYS 58 -8.047 -11.850 -6.421 415 HE2 LYS 58 HE2 LYS 58 -6.485 -13.052 -7.869 416 HE3 LYS 58 HE3 LYS 58 -8.094 -13.072 -8.591 417 HZ1 LYS 58 HZ1 LYS 58 -6.235 -10.908 -9.291 418 HZ2 LYS 58 HZ2 LYS 58 -7.492 -11.590 -10.210 419 HZ3 LYS 58 HZ3 LYS 58 -6.029 -12.432 -10.009 420 H GLY 59 H GLY 59 -10.139 -6.243 -7.128 421 HA2 GLY 59 HA2 GLY 59 -12.323 -5.349 -5.746 422 HA3 GLY 59 HA3 GLY 59 -11.309 -6.067 -4.498 423 HA PRO 60 HA PRO 60 -9.825 -1.684 -5.566 424 HB2 PRO 60 HB2 PRO 60 -10.392 -0.392 -3.251 425 HB3 PRO 60 HB3 PRO 60 -11.576 -0.553 -4.566 426 HG2 PRO 60 HG2 PRO 60 -11.303 -2.160 -2.065 427 HG3 PRO 60 HG3 PRO 60 -12.758 -1.473 -2.809 428 HD2 PRO 60 HD2 PRO 60 -12.067 -4.092 -3.116 429 HD3 PRO 60 HD3 PRO 60 -12.918 -3.182 -4.385 430 H CYS 61 H CYS 61 -7.936 -0.700 -4.821 431 HA CYS 61 HA CYS 61 -6.469 -2.098 -2.665 432 HB2 CYS 61 HB2 CYS 61 -5.352 -1.073 -5.289 433 HB3 CYS 61 HB3 CYS 61 -4.410 -1.793 -3.984 434 HG CYS 61 HG CYS 61 -5.410 -3.473 -6.030 435 H ALA 62 H ALA 62 -4.529 -0.686 -1.942 436 HA ALA 62 HA ALA 62 -5.300 2.166 -1.953 437 HB1 ALA 62 HB1 ALA 62 -5.072 0.339 0.299 438 HB2 ALA 62 HB2 ALA 62 -5.687 1.990 0.257 439 HB3 ALA 62 HB3 ALA 62 -3.962 1.700 0.471 440 H ASN 63 H ASN 63 -3.629 3.616 -2.206 441 HA ASN 63 HA ASN 63 -0.885 2.517 -2.350 442 HB2 ASN 63 HB2 ASN 63 -0.486 3.943 -4.334 443 HB3 ASN 63 HB3 ASN 63 -1.723 2.724 -4.631 444 HD21 ASN 63 HD21 ASN 63 -3.255 3.702 -5.972 445 HD22 ASN 63 HD22 ASN 63 -3.925 5.239 -5.708 446 H LYS 64 H LYS 64 0.677 4.545 -2.675 447 HA LYS 64 HA LYS 64 1.683 6.310 -1.612 448 HB2 LYS 64 HB2 LYS 64 -1.189 7.272 -1.507 449 HB3 LYS 64 HB3 LYS 64 0.209 8.269 -1.100 450 HG2 LYS 64 HG2 LYS 64 1.124 7.909 -3.365 451 HG3 LYS 64 HG3 LYS 64 -0.275 6.915 -3.773 452 HD2 LYS 64 HD2 LYS 64 -1.763 8.840 -3.366 453 HD3 LYS 64 HD3 LYS 64 -0.365 9.837 -2.963 454 HE2 LYS 64 HE2 LYS 64 0.548 9.483 -5.224 455 HE3 LYS 64 HE3 LYS 64 -0.841 8.476 -5.631 456 HZ1 LYS 64 HZ1 LYS 64 -1.011 10.834 -6.365 457 HZ2 LYS 64 HZ2 LYS 64 -1.063 11.293 -4.731 458 HZ3 LYS 64 HZ3 LYS 64 -2.292 10.317 -5.382 459 H VAL 65 H VAL 65 1.523 4.172 -0.049 460 HA VAL 65 HA VAL 65 0.167 4.575 2.434 461 HB VAL 65 HB VAL 65 2.491 2.747 1.742 462 HG11 VAL 65 HG11 VAL 65 0.564 2.691 4.090 463 HG12 VAL 65 HG12 VAL 65 2.276 3.101 4.177 464 HG13 VAL 65 HG13 VAL 65 1.781 1.466 3.737 465 HG21 VAL 65 HG21 VAL 65 0.374 2.406 0.424 466 HG22 VAL 65 HG22 VAL 65 -0.474 2.136 1.946 467 HG23 VAL 65 HG23 VAL 65 0.801 1.028 1.440 468 H VAL 66 H VAL 66 0.683 5.950 3.947 469 HA VAL 66 HA VAL 66 3.520 6.719 4.349 470 HB VAL 66 HB VAL 66 1.107 8.551 4.563 471 HG11 VAL 66 HG11 VAL 66 4.067 9.100 4.942 472 HG12 VAL 66 HG12 VAL 66 2.840 9.118 6.210 473 HG13 VAL 66 HG13 VAL 66 2.800 10.327 4.926 474 HG21 VAL 66 HG21 VAL 66 3.404 8.481 2.579 475 HG22 VAL 66 HG22 VAL 66 2.157 9.726 2.647 476 HG23 VAL 66 HG23 VAL 66 1.725 8.069 2.230 477 H ALA 67 H ALA 67 4.237 6.248 6.323 478 HA ALA 67 HA ALA 67 2.478 5.245 8.360 479 HB1 ALA 67 HB1 ALA 67 4.773 4.374 8.028 480 HB2 ALA 67 HB2 ALA 67 4.513 4.951 9.674 481 HB3 ALA 67 HB3 ALA 67 5.420 5.937 8.528 482 H VAL 68 H VAL 68 1.667 6.242 10.107 483 HA VAL 68 HA VAL 68 2.737 8.780 11.037 484 HB VAL 68 HB VAL 68 1.204 9.452 9.217 485 HG11 VAL 68 HG11 VAL 68 -0.315 7.473 9.388 486 HG12 VAL 68 HG12 VAL 68 -1.182 9.009 9.352 487 HG13 VAL 68 HG13 VAL 68 -0.973 8.150 10.879 488 HG21 VAL 68 HG21 VAL 68 -0.064 10.091 11.891 489 HG22 VAL 68 HG22 VAL 68 0.008 11.113 10.456 490 HG23 VAL 68 HG23 VAL 68 1.475 10.785 11.379 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -8.454 13.514 0.746 2 H2 MET 1 HT2 MET 1 -7.084 14.252 0.064 3 H3 MET 1 HT3 MET 1 -7.458 14.496 1.703 4 HA MET 1 HA MET 1 -6.333 12.120 0.382 5 HB2 MET 1 HB2 MET 1 -5.731 13.749 2.862 6 HB3 MET 1 HB3 MET 1 -4.936 12.214 2.508 7 HG2 MET 1 HG2 MET 1 -4.120 13.111 0.368 8 HG3 MET 1 HG3 MET 1 -4.944 14.638 0.683 9 HE1 MET 1 HE1 MET 1 -1.190 15.526 1.053 10 HE2 MET 1 HE2 MET 1 -2.666 15.666 0.100 11 HE3 MET 1 HE3 MET 1 -1.743 14.165 0.066 12 H SER 2 H SER 2 -6.011 10.309 2.091 13 HA SER 2 HA SER 2 -8.279 9.975 3.902 14 HB2 SER 2 HB2 SER 2 -9.155 9.135 1.774 15 HB3 SER 2 HB3 SER 2 -7.754 8.083 1.597 16 HG SER 2 HG SER 2 -10.015 7.751 3.064 17 H LYS 3 H LYS 3 -7.923 8.454 5.508 18 HA LYS 3 HA LYS 3 -5.570 6.757 5.471 19 HB2 LYS 3 HB2 LYS 3 -4.575 7.731 7.506 20 HB3 LYS 3 HB3 LYS 3 -4.583 8.888 6.179 21 HG2 LYS 3 HG2 LYS 3 -6.639 9.921 7.113 22 HG3 LYS 3 HG3 LYS 3 -6.584 8.778 8.458 23 HD2 LYS 3 HD2 LYS 3 -4.408 9.652 9.157 24 HD3 LYS 3 HD3 LYS 3 -4.380 10.744 7.772 25 HE2 LYS 3 HE2 LYS 3 -5.107 11.968 9.758 26 HE3 LYS 3 HE3 LYS 3 -6.450 11.834 8.626 27 HZ1 LYS 3 HZ1 LYS 3 -6.054 9.840 10.767 28 HZ2 LYS 3 HZ2 LYS 3 -7.471 10.207 9.903 29 HZ3 LYS 3 HZ3 LYS 3 -6.879 11.292 11.069 30 H GLY 4 H GLY 4 -5.707 5.066 6.890 31 HA2 GLY 4 HA2 GLY 4 -7.992 5.004 8.761 32 HA3 GLY 4 HA3 GLY 4 -7.742 3.690 7.615 33 H ILE 5 H ILE 5 -7.646 2.360 9.591 34 HA ILE 5 HA ILE 5 -4.928 2.430 10.777 35 HB ILE 5 HB ILE 5 -5.956 1.256 12.762 36 HG12 ILE 5 HG12 ILE 5 -8.595 2.312 11.708 37 HG13 ILE 5 HG13 ILE 5 -8.087 0.651 11.422 38 HG21 ILE 5 HG21 ILE 5 -6.912 4.050 12.070 39 HG22 ILE 5 HG22 ILE 5 -5.386 3.626 12.847 40 HG23 ILE 5 HG23 ILE 5 -6.912 3.365 13.694 41 HD11 ILE 5 HD11 ILE 5 -9.535 0.921 13.458 42 HD12 ILE 5 HD12 ILE 5 -8.264 1.915 14.172 43 HD13 ILE 5 HD13 ILE 5 -7.957 0.218 13.808 44 H VAL 6 H VAL 6 -3.720 0.707 10.521 45 HA VAL 6 HA VAL 6 -4.551 -1.381 8.785 46 HB VAL 6 HB VAL 6 -2.045 -1.148 10.480 47 HG11 VAL 6 HG11 VAL 6 -1.143 -2.705 8.644 48 HG12 VAL 6 HG12 VAL 6 -2.828 -3.014 8.226 49 HG13 VAL 6 HG13 VAL 6 -2.226 -3.439 9.827 50 HG21 VAL 6 HG21 VAL 6 -2.383 -0.587 7.521 51 HG22 VAL 6 HG22 VAL 6 -1.012 -0.177 8.552 52 HG23 VAL 6 HG23 VAL 6 -2.547 0.673 8.743 53 H LYS 7 H LYS 7 -5.622 -3.140 9.245 54 HA LYS 7 HA LYS 7 -6.370 -3.924 11.880 55 HB2 LYS 7 HB2 LYS 7 -7.722 -4.447 9.852 56 HB3 LYS 7 HB3 LYS 7 -6.454 -5.545 9.311 57 HG2 LYS 7 HG2 LYS 7 -6.760 -6.916 11.335 58 HG3 LYS 7 HG3 LYS 7 -8.008 -5.810 11.905 59 HD2 LYS 7 HD2 LYS 7 -9.392 -6.317 9.943 60 HD3 LYS 7 HD3 LYS 7 -8.133 -7.380 9.314 61 HE2 LYS 7 HE2 LYS 7 -9.847 -8.718 10.435 62 HE3 LYS 7 HE3 LYS 7 -8.341 -8.793 11.352 63 HZ1 LYS 7 HZ1 LYS 7 -10.370 -6.748 11.981 64 HZ2 LYS 7 HZ2 LYS 7 -9.163 -7.404 12.982 65 HZ3 LYS 7 HZ3 LYS 7 -10.535 -8.324 12.585 66 H TRP 8 H TRP 8 -4.046 -5.157 9.509 67 HA TRP 8 HA TRP 8 -2.248 -6.095 11.560 68 HB2 TRP 8 HB2 TRP 8 -4.067 -7.908 11.252 69 HB3 TRP 8 HB3 TRP 8 -3.339 -8.189 9.672 70 HD1 TRP 8 HD1 TRP 8 -0.589 -8.720 9.770 71 HE1 TRP 8 HE1 TRP 8 0.680 -10.171 11.482 72 HE3 TRP 8 HE3 TRP 8 -3.996 -8.785 13.573 73 HZ2 TRP 8 HZ2 TRP 8 0.298 -11.228 14.114 74 HZ3 TRP 8 HZ3 TRP 8 -3.521 -10.022 15.666 75 HH2 TRP 8 HH2 TRP 8 -1.380 -11.244 15.941 76 H PHE 9 H PHE 9 -0.232 -5.754 10.775 77 HA PHE 9 HA PHE 9 0.082 -5.573 7.826 78 HB2 PHE 9 HB2 PHE 9 0.651 -3.554 9.286 79 HB3 PHE 9 HB3 PHE 9 2.010 -4.505 9.897 80 HD1 PHE 9 HD1 PHE 9 0.628 -2.701 7.028 81 HD2 PHE 9 HD2 PHE 9 3.834 -5.222 8.375 82 HE1 PHE 9 HE1 PHE 9 1.933 -2.123 5.000 83 HE2 PHE 9 HE2 PHE 9 5.138 -4.640 6.348 84 HZ PHE 9 HZ PHE 9 4.190 -3.093 4.661 85 H ASN 10 H ASN 10 1.019 -7.288 6.885 86 HA ASN 10 HA ASN 10 2.934 -8.897 8.480 87 HB2 ASN 10 HB2 ASN 10 1.232 -9.776 6.134 88 HB3 ASN 10 HB3 ASN 10 2.333 -10.796 7.055 89 HD21 ASN 10 HD21 ASN 10 1.748 -11.252 9.335 90 HD22 ASN 10 HD22 ASN 10 0.131 -11.118 9.834 91 H SER 11 H SER 11 4.716 -7.513 7.879 92 HA SER 11 HA SER 11 5.436 -6.883 5.241 93 HB2 SER 11 HB2 SER 11 7.651 -6.421 6.167 94 HB3 SER 11 HB3 SER 11 6.401 -5.795 7.235 95 HG SER 11 HG SER 11 8.305 -7.607 7.739 96 H ASP 12 H ASP 12 6.042 -9.753 7.205 97 HA ASP 12 HA ASP 12 8.056 -10.947 5.638 98 HB2 ASP 12 HB2 ASP 12 5.881 -12.155 7.361 99 HB3 ASP 12 HB3 ASP 12 7.144 -13.115 6.595 100 H LYS 13 H LYS 13 4.522 -11.105 5.447 101 HA LYS 13 HA LYS 13 4.494 -12.830 3.138 102 HB2 LYS 13 HB2 LYS 13 2.311 -11.124 4.369 103 HB3 LYS 13 HB3 LYS 13 2.071 -12.330 3.110 104 HG2 LYS 13 HG2 LYS 13 3.296 -12.984 5.801 105 HG3 LYS 13 HG3 LYS 13 1.568 -13.126 5.470 106 HD2 LYS 13 HD2 LYS 13 2.071 -14.702 3.615 107 HD3 LYS 13 HD3 LYS 13 3.790 -14.590 4.003 108 HE2 LYS 13 HE2 LYS 13 2.857 -16.587 5.054 109 HE3 LYS 13 HE3 LYS 13 3.289 -15.418 6.302 110 HZ1 LYS 13 HZ1 LYS 13 0.571 -15.421 5.179 111 HZ2 LYS 13 HZ2 LYS 13 1.103 -14.897 6.705 112 HZ3 LYS 13 HZ3 LYS 13 0.987 -16.559 6.366 113 H GLY 14 H GLY 14 4.729 -9.427 3.715 114 HA2 GLY 14 HA2 GLY 14 5.442 -7.820 2.148 115 HA3 GLY 14 HA3 GLY 14 4.965 -8.902 0.847 116 H PHE 15 H PHE 15 2.489 -8.720 3.155 117 HA PHE 15 HA PHE 15 1.264 -6.292 2.169 118 HB2 PHE 15 HB2 PHE 15 -0.740 -7.386 1.248 119 HB3 PHE 15 HB3 PHE 15 0.707 -7.790 0.330 120 HD1 PHE 15 HD1 PHE 15 -1.804 -9.045 2.735 121 HD2 PHE 15 HD2 PHE 15 1.607 -10.041 0.322 122 HE1 PHE 15 HE1 PHE 15 -2.261 -11.458 3.085 123 HE2 PHE 15 HE2 PHE 15 1.153 -12.453 0.675 124 HZ PHE 15 HZ PHE 15 -0.780 -13.162 2.056 125 H GLY 16 H GLY 16 -1.064 -6.137 3.034 126 HA2 GLY 16 HA2 GLY 16 -1.628 -7.602 5.461 127 HA3 GLY 16 HA3 GLY 16 -1.123 -5.937 5.738 128 H PHE 17 H PHE 17 -3.538 -6.461 6.625 129 HA PHE 17 HA PHE 17 -5.426 -5.467 4.569 130 HB2 PHE 17 HB2 PHE 17 -5.958 -7.106 7.066 131 HB3 PHE 17 HB3 PHE 17 -7.208 -6.448 6.011 132 HD1 PHE 17 HD1 PHE 17 -4.546 -8.960 6.351 133 HD2 PHE 17 HD2 PHE 17 -7.540 -7.322 3.744 134 HE1 PHE 17 HE1 PHE 17 -4.330 -10.932 4.863 135 HE2 PHE 17 HE2 PHE 17 -7.324 -9.294 2.256 136 HZ PHE 17 HZ PHE 17 -5.716 -11.099 2.815 137 H ILE 18 H ILE 18 -6.413 -3.541 4.947 138 HA ILE 18 HA ILE 18 -5.896 -2.278 7.560 139 HB ILE 18 HB ILE 18 -4.711 -1.191 5.706 140 HG12 ILE 18 HG12 ILE 18 -6.995 0.614 6.534 141 HG13 ILE 18 HG13 ILE 18 -5.756 0.097 7.681 142 HG21 ILE 18 HG21 ILE 18 -6.197 0.081 4.035 143 HG22 ILE 18 HG22 ILE 18 -7.501 -0.986 4.556 144 HG23 ILE 18 HG23 ILE 18 -6.058 -1.661 3.802 145 HD11 ILE 18 HD11 ILE 18 -5.147 2.265 6.692 146 HD12 ILE 18 HD12 ILE 18 -5.259 1.571 5.075 147 HD13 ILE 18 HD13 ILE 18 -4.006 1.018 6.184 148 H THR 19 H THR 19 -7.469 -1.181 8.611 149 HA THR 19 HA THR 19 -10.207 -1.838 7.828 150 HB THR 19 HB THR 19 -9.130 -0.818 10.460 151 HG1 THR 19 HG1 THR 19 -9.178 -2.923 11.082 152 HG21 THR 19 HG21 THR 19 -11.832 -1.896 9.612 153 HG22 THR 19 HG22 THR 19 -11.479 -0.297 10.266 154 HG23 THR 19 HG23 THR 19 -11.341 -1.722 11.298 155 HA PRO 20 HA PRO 20 -10.314 2.565 6.450 156 HB2 PRO 20 HB2 PRO 20 -13.175 1.768 6.063 157 HB3 PRO 20 HB3 PRO 20 -12.098 2.647 4.959 158 HG2 PRO 20 HG2 PRO 20 -12.657 0.133 4.490 159 HG3 PRO 20 HG3 PRO 20 -10.995 0.717 4.296 160 HD2 PRO 20 HD2 PRO 20 -12.172 -0.888 6.547 161 HD3 PRO 20 HD3 PRO 20 -10.584 -1.051 5.761 162 H GLU 21 H GLU 21 -10.633 4.272 7.797 163 HA GLU 21 HA GLU 21 -11.837 3.981 10.348 164 HB2 GLU 21 HB2 GLU 21 -11.448 6.387 10.597 165 HB3 GLU 21 HB3 GLU 21 -10.035 5.599 9.900 166 HG2 GLU 21 HG2 GLU 21 -10.780 6.299 7.635 167 HG3 GLU 21 HG3 GLU 21 -12.159 7.120 8.353 168 H ASP 22 H ASP 22 -13.085 5.006 7.257 169 HA ASP 22 HA ASP 22 -15.441 6.319 8.194 170 HB2 ASP 22 HB2 ASP 22 -14.691 5.101 5.534 171 HB3 ASP 22 HB3 ASP 22 -16.221 5.924 5.813 172 H GLY 23 H GLY 23 -14.566 2.992 7.884 173 HA2 GLY 23 HA2 GLY 23 -15.893 1.302 8.986 174 HA3 GLY 23 HA3 GLY 23 -17.338 2.193 8.522 175 H SER 24 H SER 24 -15.096 2.134 5.984 176 HA SER 24 HA SER 24 -16.747 0.446 4.362 177 HB2 SER 24 HB2 SER 24 -14.041 1.694 3.844 178 HB3 SER 24 HB3 SER 24 -15.002 0.849 2.638 179 HG SER 24 HG SER 24 -15.998 2.670 2.380 180 H LYS 25 H LYS 25 -15.752 -1.350 3.073 181 HA LYS 25 HA LYS 25 -14.855 -3.405 4.797 182 HB2 LYS 25 HB2 LYS 25 -14.648 -4.764 2.753 183 HB3 LYS 25 HB3 LYS 25 -16.172 -3.879 2.786 184 HG2 LYS 25 HG2 LYS 25 -15.195 -2.150 1.305 185 HG3 LYS 25 HG3 LYS 25 -13.678 -3.050 1.263 186 HD2 LYS 25 HD2 LYS 25 -14.849 -4.982 0.269 187 HD3 LYS 25 HD3 LYS 25 -16.366 -4.083 0.308 188 HE2 LYS 25 HE2 LYS 25 -15.399 -2.371 -1.179 189 HE3 LYS 25 HE3 LYS 25 -13.878 -3.261 -1.216 190 HZ1 LYS 25 HZ1 LYS 25 -15.223 -3.767 -3.148 191 HZ2 LYS 25 HZ2 LYS 25 -16.506 -4.273 -2.156 192 HZ3 LYS 25 HZ3 LYS 25 -15.050 -5.146 -2.176 193 H ASP 26 H ASP 26 -12.870 -4.591 4.756 194 HA ASP 26 HA ASP 26 -10.567 -3.017 4.940 195 HB2 ASP 26 HB2 ASP 26 -10.944 -5.999 4.669 196 HB3 ASP 26 HB3 ASP 26 -9.370 -5.258 4.929 197 H LEU 27 H LEU 27 -8.808 -2.707 3.646 198 HA LEU 27 HA LEU 27 -9.093 -3.482 0.801 199 HB2 LEU 27 HB2 LEU 27 -7.856 -0.972 1.960 200 HB3 LEU 27 HB3 LEU 27 -7.905 -1.388 0.250 201 HG LEU 27 HG LEU 27 -10.386 -1.085 1.974 202 HD11 LEU 27 HD11 LEU 27 -10.652 1.096 0.786 203 HD12 LEU 27 HD12 LEU 27 -9.044 0.881 0.094 204 HD13 LEU 27 HD13 LEU 27 -9.236 1.066 1.837 205 HD21 LEU 27 HD21 LEU 27 -9.931 -1.260 -1.025 206 HD22 LEU 27 HD22 LEU 27 -11.482 -0.878 -0.280 207 HD23 LEU 27 HD23 LEU 27 -10.742 -2.458 -0.018 208 H PHE 28 H PHE 28 -7.180 -3.973 -0.353 209 HA PHE 28 HA PHE 28 -5.144 -5.271 1.243 210 HB2 PHE 28 HB2 PHE 28 -5.543 -4.963 -1.738 211 HB3 PHE 28 HB3 PHE 28 -4.187 -5.837 -1.025 212 HD1 PHE 28 HD1 PHE 28 -7.829 -5.815 -1.563 213 HD2 PHE 28 HD2 PHE 28 -4.522 -7.943 0.167 214 HE1 PHE 28 HE1 PHE 28 -9.259 -7.824 -1.300 215 HE2 PHE 28 HE2 PHE 28 -5.954 -9.951 0.432 216 HZ PHE 28 HZ PHE 28 -8.321 -9.893 -0.303 217 H VAL 29 H VAL 29 -3.163 -4.549 1.716 218 HA VAL 29 HA VAL 29 -2.148 -2.122 0.363 219 HB VAL 29 HB VAL 29 -2.107 -2.689 3.339 220 HG11 VAL 29 HG11 VAL 29 -1.087 -0.252 1.855 221 HG12 VAL 29 HG12 VAL 29 -0.048 -1.536 2.472 222 HG13 VAL 29 HG13 VAL 29 -0.985 -0.548 3.591 223 HG21 VAL 29 HG21 VAL 29 -3.394 -0.331 1.976 224 HG22 VAL 29 HG22 VAL 29 -3.675 -0.947 3.602 225 HG23 VAL 29 HG23 VAL 29 -4.275 -1.839 2.205 226 H HIS 30 H HIS 30 -0.038 -2.250 -0.251 227 HA HIS 30 HA HIS 30 1.482 -4.645 0.576 228 HB2 HIS 30 HB2 HIS 30 1.639 -2.954 -1.923 229 HB3 HIS 30 HB3 HIS 30 2.797 -4.225 -1.524 230 HD2 HIS 30 HD2 HIS 30 -0.817 -3.888 -2.933 231 HE1 HIS 30 HE1 HIS 30 -0.040 -8.007 -2.438 232 HE2 HIS 30 HE2 HIS 30 -1.659 -6.312 -3.414 233 H HIS 31 H HIS 31 3.583 -4.475 1.233 234 HA HIS 31 HA HIS 31 4.330 -2.170 2.699 235 HB2 HIS 31 HB2 HIS 31 5.068 -4.491 3.227 236 HB3 HIS 31 HB3 HIS 31 6.109 -4.453 1.802 237 HD2 HIS 31 HD2 HIS 31 6.075 -3.080 5.461 238 HE1 HIS 31 HE1 HIS 31 9.598 -1.677 3.611 239 HE2 HIS 31 HE2 HIS 31 8.358 -1.870 5.818 240 H SER 32 H SER 32 5.554 -3.459 -0.385 241 HA SER 32 HA SER 32 7.574 -1.557 -0.810 242 HB2 SER 32 HB2 SER 32 7.555 -2.325 -3.125 243 HB3 SER 32 HB3 SER 32 7.413 -3.689 -2.020 244 HG SER 32 HG SER 32 5.304 -3.886 -2.524 245 H GLU 33 H GLU 33 4.144 -1.226 -1.233 246 HA GLU 33 HA GLU 33 4.206 0.819 -3.222 247 HB2 GLU 33 HB2 GLU 33 2.087 -0.073 -1.273 248 HB3 GLU 33 HB3 GLU 33 1.829 1.231 -2.430 249 HG2 GLU 33 HG2 GLU 33 2.386 -0.289 -4.288 250 HG3 GLU 33 HG3 GLU 33 2.667 -1.596 -3.142 251 H ILE 34 H ILE 34 5.000 0.968 0.112 252 HA ILE 34 HA ILE 34 3.985 3.462 0.852 253 HB ILE 34 HB ILE 34 5.774 3.587 2.514 254 HG12 ILE 34 HG12 ILE 34 6.974 1.125 1.200 255 HG13 ILE 34 HG13 ILE 34 7.587 2.745 0.923 256 HG21 ILE 34 HG21 ILE 34 3.977 2.159 3.131 257 HG22 ILE 34 HG22 ILE 34 5.436 1.235 3.487 258 HG23 ILE 34 HG23 ILE 34 4.506 0.885 2.031 259 HD11 ILE 34 HD11 ILE 34 8.840 1.534 2.715 260 HD12 ILE 34 HD12 ILE 34 7.349 1.458 3.657 261 HD13 ILE 34 HD13 ILE 34 8.084 3.020 3.292 262 H GLN 35 H GLN 35 4.542 5.545 0.537 263 HA GLN 35 HA GLN 35 6.022 6.248 -1.780 264 HB2 GLN 35 HB2 GLN 35 4.910 7.892 0.496 265 HB3 GLN 35 HB3 GLN 35 5.711 8.602 -0.908 266 HG2 GLN 35 HG2 GLN 35 3.343 6.724 -1.090 267 HG3 GLN 35 HG3 GLN 35 3.200 8.481 -1.111 268 HE21 GLN 35 HE21 GLN 35 3.337 5.868 -3.175 269 HE22 GLN 35 HE22 GLN 35 3.982 6.634 -4.545 270 H SER 36 H SER 36 6.788 6.374 1.683 271 HA SER 36 HA SER 36 9.194 7.822 1.495 272 HB2 SER 36 HB2 SER 36 8.305 5.740 3.500 273 HB3 SER 36 HB3 SER 36 9.736 6.748 3.691 274 HG SER 36 HG SER 36 7.987 7.722 4.714 275 H GLY 37 H GLY 37 8.581 4.323 1.409 276 HA2 GLY 37 HA2 GLY 37 9.855 2.560 0.657 277 HA3 GLY 37 HA3 GLY 37 10.669 3.731 -0.373 278 H GLY 38 H GLY 38 10.614 3.941 3.141 279 HA2 GLY 38 HA2 GLY 38 13.546 3.707 3.161 280 HA3 GLY 38 HA3 GLY 38 12.562 4.456 4.413 281 H GLU 39 H GLU 39 14.628 2.203 4.288 282 HA GLU 39 HA GLU 39 13.396 -0.241 4.993 283 HB2 GLU 39 HB2 GLU 39 16.137 0.892 5.575 284 HB3 GLU 39 HB3 GLU 39 15.655 -0.745 6.022 285 HG2 GLU 39 HG2 GLU 39 15.227 -1.323 3.714 286 HG3 GLU 39 HG3 GLU 39 15.463 0.344 3.202 287 H TYR 40 H TYR 40 14.437 2.549 6.890 288 HA TYR 40 HA TYR 40 14.184 1.471 9.471 289 HB2 TYR 40 HB2 TYR 40 13.751 4.304 8.508 290 HB3 TYR 40 HB3 TYR 40 13.893 3.831 10.199 291 HD1 TYR 40 HD1 TYR 40 15.684 4.285 7.025 292 HD2 TYR 40 HD2 TYR 40 16.026 2.998 11.110 293 HE1 TYR 40 HE1 TYR 40 18.155 4.362 6.843 294 HE2 TYR 40 HE2 TYR 40 18.498 3.077 10.927 295 HH TYR 40 HH TYR 40 20.094 4.524 8.228 296 H ALA 41 H ALA 41 11.796 2.978 7.332 297 HA ALA 41 HA ALA 41 9.683 3.225 9.162 298 HB1 ALA 41 HB1 ALA 41 9.639 4.263 6.942 299 HB2 ALA 41 HB2 ALA 41 8.221 3.242 7.175 300 HB3 ALA 41 HB3 ALA 41 9.567 2.671 6.188 301 H THR 42 H THR 42 8.393 1.817 10.110 302 HA THR 42 HA THR 42 8.165 -0.923 9.023 303 HB THR 42 HB THR 42 8.223 -1.811 11.328 304 HG1 THR 42 HG1 THR 42 8.971 -0.382 12.958 305 HG21 THR 42 HG21 THR 42 10.579 -0.279 10.248 306 HG22 THR 42 HG22 THR 42 10.303 -2.018 10.267 307 HG23 THR 42 HG23 THR 42 10.710 -1.174 11.760 308 H LEU 43 H LEU 43 6.288 -2.107 9.855 309 HA LEU 43 HA LEU 43 4.106 -0.471 10.913 310 HB2 LEU 43 HB2 LEU 43 3.843 -2.070 8.354 311 HB3 LEU 43 HB3 LEU 43 2.531 -1.261 9.200 312 HG LEU 43 HG LEU 43 4.192 0.859 8.937 313 HD11 LEU 43 HD11 LEU 43 5.873 -0.656 7.724 314 HD12 LEU 43 HD12 LEU 43 5.443 0.841 6.905 315 HD13 LEU 43 HD13 LEU 43 4.728 -0.685 6.387 316 HD21 LEU 43 HD21 LEU 43 2.951 1.418 6.825 317 HD22 LEU 43 HD22 LEU 43 1.903 0.850 8.124 318 HD23 LEU 43 HD23 LEU 43 2.334 -0.234 6.802 319 H ALA 44 H ALA 44 2.414 -1.730 11.845 320 HA ALA 44 HA ALA 44 2.843 -4.618 12.087 321 HB1 ALA 44 HB1 ALA 44 2.584 -2.909 14.568 322 HB2 ALA 44 HB2 ALA 44 4.154 -3.357 13.898 323 HB3 ALA 44 HB3 ALA 44 3.045 -4.608 14.459 324 H ASP 45 H ASP 45 0.960 -4.769 14.390 325 HA ASP 45 HA ASP 45 -1.500 -4.589 12.865 326 HB2 ASP 45 HB2 ASP 45 -1.001 -5.553 15.694 327 HB3 ASP 45 HB3 ASP 45 -2.463 -5.809 14.748 328 H GLY 46 H GLY 46 -2.546 -2.685 12.822 329 HA2 GLY 46 HA2 GLY 46 -4.000 -1.145 13.954 330 HA3 GLY 46 HA3 GLY 46 -2.955 -1.241 15.363 331 H GLN 47 H GLN 47 -0.947 -1.002 12.710 332 HA GLN 47 HA GLN 47 -0.006 1.574 13.326 333 HB2 GLN 47 HB2 GLN 47 1.298 -0.186 12.142 334 HB3 GLN 47 HB3 GLN 47 0.297 0.067 10.715 335 HG2 GLN 47 HG2 GLN 47 2.375 1.337 10.480 336 HG3 GLN 47 HG3 GLN 47 1.026 2.444 10.661 337 HE21 GLN 47 HE21 GLN 47 1.814 4.190 11.861 338 HE22 GLN 47 HE22 GLN 47 2.707 4.045 13.298 339 H THR 48 H THR 48 -0.591 3.560 12.697 340 HA THR 48 HA THR 48 -2.975 3.882 11.046 341 HB THR 48 HB THR 48 -1.265 5.962 12.453 342 HG1 THR 48 HG1 THR 48 -2.153 4.884 14.066 343 HG21 THR 48 HG21 THR 48 -3.294 7.376 12.217 344 HG22 THR 48 HG22 THR 48 -4.058 6.094 11.276 345 HG23 THR 48 HG23 THR 48 -2.629 6.916 10.650 346 H VAL 49 H VAL 49 -2.893 4.277 8.920 347 HA VAL 49 HA VAL 49 -0.480 5.555 7.799 348 HB VAL 49 HB VAL 49 -0.487 3.962 5.905 349 HG11 VAL 49 HG11 VAL 49 0.973 3.629 7.899 350 HG12 VAL 49 HG12 VAL 49 0.532 2.107 7.120 351 HG13 VAL 49 HG13 VAL 49 -0.276 2.603 8.608 352 HG21 VAL 49 HG21 VAL 49 -2.863 3.256 6.072 353 HG22 VAL 49 HG22 VAL 49 -2.503 2.438 7.592 354 HG23 VAL 49 HG23 VAL 49 -1.773 1.869 6.092 355 H GLU 50 H GLU 50 -0.769 6.318 5.593 356 HA GLU 50 HA GLU 50 -3.514 7.316 5.138 357 HB2 GLU 50 HB2 GLU 50 -1.665 9.000 5.598 358 HB3 GLU 50 HB3 GLU 50 -0.926 8.480 4.080 359 HG2 GLU 50 HG2 GLU 50 -3.016 9.057 2.884 360 HG3 GLU 50 HG3 GLU 50 -3.713 9.615 4.402 361 H TYR 51 H TYR 51 -4.500 6.736 3.239 362 HA TYR 51 HA TYR 51 -2.874 5.741 1.020 363 HB2 TYR 51 HB2 TYR 51 -4.136 3.639 0.846 364 HB3 TYR 51 HB3 TYR 51 -3.275 3.740 2.375 365 HD1 TYR 51 HD1 TYR 51 -6.575 3.841 0.748 366 HD2 TYR 51 HD2 TYR 51 -4.479 4.047 4.490 367 HE1 TYR 51 HE1 TYR 51 -8.716 3.537 1.963 368 HE2 TYR 51 HE2 TYR 51 -6.620 3.741 5.704 369 HH TYR 51 HH TYR 51 -9.380 2.616 4.310 370 H GLU 52 H GLU 52 -4.101 5.277 -0.912 371 HA GLU 52 HA GLU 52 -6.562 6.915 -1.134 372 HB2 GLU 52 HB2 GLU 52 -4.227 6.568 -3.018 373 HB3 GLU 52 HB3 GLU 52 -5.808 7.084 -3.607 374 HG2 GLU 52 HG2 GLU 52 -4.498 9.069 -3.133 375 HG3 GLU 52 HG3 GLU 52 -5.764 8.944 -1.919 376 H VAL 53 H VAL 53 -8.317 5.922 -1.949 377 HA VAL 53 HA VAL 53 -8.142 3.053 -2.480 378 HB VAL 53 HB VAL 53 -10.540 4.901 -2.224 379 HG11 VAL 53 HG11 VAL 53 -10.440 1.869 -2.191 380 HG12 VAL 53 HG12 VAL 53 -10.968 2.830 -3.574 381 HG13 VAL 53 HG13 VAL 53 -11.881 2.878 -2.065 382 HG21 VAL 53 HG21 VAL 53 -9.285 4.692 -0.128 383 HG22 VAL 53 HG22 VAL 53 -9.277 2.936 -0.289 384 HG23 VAL 53 HG23 VAL 53 -10.796 3.787 -0.012 385 H GLY 54 H GLY 54 -7.864 2.317 -4.468 386 HA2 GLY 54 HA2 GLY 54 -9.038 3.816 -6.744 387 HA3 GLY 54 HA3 GLY 54 -7.457 3.045 -6.835 388 H GLN 55 H GLN 55 -10.687 2.679 -7.533 389 HA GLN 55 HA GLN 55 -11.207 -0.030 -7.041 390 HB2 GLN 55 HB2 GLN 55 -12.248 1.857 -9.159 391 HB3 GLN 55 HB3 GLN 55 -12.873 0.222 -8.925 392 HG2 GLN 55 HG2 GLN 55 -13.546 0.731 -6.660 393 HG3 GLN 55 HG3 GLN 55 -12.744 2.298 -6.722 394 HE21 GLN 55 HE21 GLN 55 -15.666 1.672 -6.286 395 HE22 GLN 55 HE22 GLN 55 -16.486 2.527 -7.500 396 H GLY 56 H GLY 56 -11.130 -1.842 -8.364 397 HA2 GLY 56 HA2 GLY 56 -9.828 -1.830 -10.935 398 HA3 GLY 56 HA3 GLY 56 -8.821 -2.494 -9.652 399 H GLN 57 H GLN 57 -9.192 -4.308 -11.388 400 HA GLN 57 HA GLN 57 -11.617 -5.746 -11.474 401 HB2 GLN 57 HB2 GLN 57 -8.753 -6.583 -11.949 402 HB3 GLN 57 HB3 GLN 57 -10.134 -7.644 -12.236 403 HG2 GLN 57 HG2 GLN 57 -11.059 -6.118 -13.861 404 HG3 GLN 57 HG3 GLN 57 -9.857 -4.890 -13.465 405 HE21 GLN 57 HE21 GLN 57 -10.370 -6.274 -16.103 406 HE22 GLN 57 HE22 GLN 57 -8.886 -6.973 -16.531 407 H LYS 58 H LYS 58 -8.815 -5.971 -9.333 408 HA LYS 58 HA LYS 58 -9.939 -8.230 -7.873 409 HB2 LYS 58 HB2 LYS 58 -7.412 -6.615 -7.464 410 HB3 LYS 58 HB3 LYS 58 -7.873 -8.014 -6.495 411 HG2 LYS 58 HG2 LYS 58 -7.960 -9.380 -8.593 412 HG3 LYS 58 HG3 LYS 58 -7.361 -7.983 -9.486 413 HD2 LYS 58 HD2 LYS 58 -5.888 -9.175 -7.124 414 HD3 LYS 58 HD3 LYS 58 -5.587 -9.674 -8.787 415 HE2 LYS 58 HE2 LYS 58 -5.053 -7.313 -9.372 416 HE3 LYS 58 HE3 LYS 58 -5.282 -6.863 -7.682 417 HZ1 LYS 58 HZ1 LYS 58 -2.944 -7.267 -8.247 418 HZ2 LYS 58 HZ2 LYS 58 -3.323 -8.874 -8.651 419 HZ3 LYS 58 HZ3 LYS 58 -3.505 -8.332 -7.052 420 H GLY 59 H GLY 59 -11.099 -5.353 -7.909 421 HA2 GLY 59 HA2 GLY 59 -12.517 -4.336 -6.348 422 HA3 GLY 59 HA3 GLY 59 -11.758 -5.283 -5.071 423 HA PRO 60 HA PRO 60 -10.126 -0.736 -5.340 424 HB2 PRO 60 HB2 PRO 60 -11.227 -0.652 -2.568 425 HB3 PRO 60 HB3 PRO 60 -11.245 0.590 -3.832 426 HG2 PRO 60 HG2 PRO 60 -13.444 -0.733 -3.239 427 HG3 PRO 60 HG3 PRO 60 -13.038 -0.350 -4.923 428 HD2 PRO 60 HD2 PRO 60 -12.751 -2.971 -3.469 429 HD3 PRO 60 HD3 PRO 60 -13.311 -2.664 -5.130 430 H CYS 61 H CYS 61 -8.123 -0.297 -4.638 431 HA CYS 61 HA CYS 61 -6.963 -1.951 -2.473 432 HB2 CYS 61 HB2 CYS 61 -5.615 -1.000 -5.017 433 HB3 CYS 61 HB3 CYS 61 -4.833 -1.898 -3.716 434 HG CYS 61 HG CYS 61 -6.429 -3.928 -4.261 435 H ALA 62 H ALA 62 -4.865 -0.862 -1.634 436 HA ALA 62 HA ALA 62 -5.325 2.064 -1.481 437 HB1 ALA 62 HB1 ALA 62 -3.972 1.499 0.823 438 HB2 ALA 62 HB2 ALA 62 -4.942 0.038 0.630 439 HB3 ALA 62 HB3 ALA 62 -5.727 1.613 0.705 440 H ASN 63 H ASN 63 -3.720 3.219 -2.310 441 HA ASN 63 HA ASN 63 -1.000 2.034 -2.375 442 HB2 ASN 63 HB2 ASN 63 -0.658 3.282 -4.498 443 HB3 ASN 63 HB3 ASN 63 -1.919 2.057 -4.622 444 HD21 ASN 63 HD21 ASN 63 -3.420 2.972 -6.059 445 HD22 ASN 63 HD22 ASN 63 -4.099 4.517 -5.873 446 H LYS 64 H LYS 64 0.672 3.841 -2.843 447 HA LYS 64 HA LYS 64 1.818 5.631 -1.992 448 HB2 LYS 64 HB2 LYS 64 -0.947 6.861 -2.075 449 HB3 LYS 64 HB3 LYS 64 0.540 7.767 -1.803 450 HG2 LYS 64 HG2 LYS 64 1.402 6.912 -3.994 451 HG3 LYS 64 HG3 LYS 64 -0.157 6.138 -4.270 452 HD2 LYS 64 HD2 LYS 64 0.128 9.107 -3.742 453 HD3 LYS 64 HD3 LYS 64 0.143 8.420 -5.366 454 HE2 LYS 64 HE2 LYS 64 -2.090 7.403 -4.922 455 HE3 LYS 64 HE3 LYS 64 -2.106 8.182 -3.341 456 HZ1 LYS 64 HZ1 LYS 64 -1.863 9.613 -5.930 457 HZ2 LYS 64 HZ2 LYS 64 -1.998 10.322 -4.392 458 HZ3 LYS 64 HZ3 LYS 64 -3.302 9.454 -5.048 459 H VAL 65 H VAL 65 1.535 3.783 -0.168 460 HA VAL 65 HA VAL 65 0.127 4.561 2.192 461 HB VAL 65 HB VAL 65 2.362 2.542 1.821 462 HG11 VAL 65 HG11 VAL 65 2.040 3.237 4.190 463 HG12 VAL 65 HG12 VAL 65 1.566 1.560 3.922 464 HG13 VAL 65 HG13 VAL 65 0.333 2.816 4.063 465 HG21 VAL 65 HG21 VAL 65 -0.617 2.040 2.028 466 HG22 VAL 65 HG22 VAL 65 0.644 0.899 1.559 467 HG23 VAL 65 HG23 VAL 65 0.209 2.226 0.482 468 H VAL 66 H VAL 66 0.651 6.096 3.509 469 HA VAL 66 HA VAL 66 3.497 6.764 3.989 470 HB VAL 66 HB VAL 66 1.151 8.697 3.908 471 HG11 VAL 66 HG11 VAL 66 4.112 9.197 4.355 472 HG12 VAL 66 HG12 VAL 66 2.857 9.320 5.588 473 HG13 VAL 66 HG13 VAL 66 2.869 10.439 4.226 474 HG21 VAL 66 HG21 VAL 66 2.138 9.580 1.899 475 HG22 VAL 66 HG22 VAL 66 2.029 7.832 1.682 476 HG23 VAL 66 HG23 VAL 66 3.574 8.577 2.093 477 H ALA 67 H ALA 67 4.083 6.478 6.055 478 HA ALA 67 HA ALA 67 2.340 5.494 8.025 479 HB1 ALA 67 HB1 ALA 67 5.094 6.717 8.181 480 HB2 ALA 67 HB2 ALA 67 4.654 5.011 8.267 481 HB3 ALA 67 HB3 ALA 67 4.259 6.092 9.602 482 H VAL 68 H VAL 68 0.877 6.469 9.231 483 HA VAL 68 HA VAL 68 -0.346 8.084 10.314 484 HB VAL 68 HB VAL 68 2.321 9.522 10.561 485 HG11 VAL 68 HG11 VAL 68 0.508 10.999 11.148 486 HG12 VAL 68 HG12 VAL 68 1.204 10.414 12.658 487 HG13 VAL 68 HG13 VAL 68 -0.307 9.729 12.062 488 HG21 VAL 68 HG21 VAL 68 2.369 8.409 12.824 489 HG22 VAL 68 HG22 VAL 68 2.543 7.283 11.479 490 HG23 VAL 68 HG23 VAL 68 0.997 7.426 12.314 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -5.689 9.628 0.413 2 H2 MET 1 HT2 MET 1 -4.236 10.071 1.175 3 H3 MET 1 HT3 MET 1 -4.644 10.733 -0.336 4 HA MET 1 HA MET 1 -4.998 12.279 1.545 5 HB2 MET 1 HB2 MET 1 -6.267 12.357 -0.645 6 HB3 MET 1 HB3 MET 1 -7.553 11.449 0.145 7 HG2 MET 1 HG2 MET 1 -8.099 13.812 0.267 8 HG3 MET 1 HG3 MET 1 -7.681 13.252 1.886 9 HE1 MET 1 HE1 MET 1 -5.296 15.950 -0.934 10 HE2 MET 1 HE2 MET 1 -6.927 15.312 -1.132 11 HE3 MET 1 HE3 MET 1 -5.540 14.242 -1.328 12 H SER 2 H SER 2 -7.139 9.444 1.471 13 HA SER 2 HA SER 2 -8.421 10.014 3.965 14 HB2 SER 2 HB2 SER 2 -9.415 7.830 3.740 15 HB3 SER 2 HB3 SER 2 -9.383 8.575 2.144 16 HG SER 2 HG SER 2 -8.133 6.338 3.062 17 H LYS 3 H LYS 3 -8.293 8.580 5.862 18 HA LYS 3 HA LYS 3 -5.654 7.341 6.277 19 HB2 LYS 3 HB2 LYS 3 -5.588 9.675 7.156 20 HB3 LYS 3 HB3 LYS 3 -6.926 9.279 8.231 21 HG2 LYS 3 HG2 LYS 3 -5.524 7.454 9.221 22 HG3 LYS 3 HG3 LYS 3 -4.179 7.987 8.213 23 HD2 LYS 3 HD2 LYS 3 -5.615 9.845 10.124 24 HD3 LYS 3 HD3 LYS 3 -4.215 8.894 10.607 25 HE2 LYS 3 HE2 LYS 3 -4.196 10.786 8.239 26 HE3 LYS 3 HE3 LYS 3 -3.690 11.259 9.858 27 HZ1 LYS 3 HZ1 LYS 3 -1.920 10.436 8.239 28 HZ2 LYS 3 HZ2 LYS 3 -2.538 8.884 8.534 29 HZ3 LYS 3 HZ3 LYS 3 -1.903 9.803 9.812 30 H GLY 4 H GLY 4 -5.886 5.373 7.076 31 HA2 GLY 4 HA2 GLY 4 -8.232 4.756 8.778 32 HA3 GLY 4 HA3 GLY 4 -7.729 3.679 7.476 33 H ILE 5 H ILE 5 -7.787 2.340 9.654 34 HA ILE 5 HA ILE 5 -5.051 2.404 10.800 35 HB ILE 5 HB ILE 5 -6.074 1.154 12.750 36 HG12 ILE 5 HG12 ILE 5 -8.716 2.216 11.714 37 HG13 ILE 5 HG13 ILE 5 -8.194 0.570 11.376 38 HG21 ILE 5 HG21 ILE 5 -5.532 3.560 12.830 39 HG22 ILE 5 HG22 ILE 5 -6.984 3.209 13.766 40 HG23 ILE 5 HG23 ILE 5 -7.120 3.942 12.168 41 HD11 ILE 5 HD11 ILE 5 -7.909 0.228 13.859 42 HD12 ILE 5 HD12 ILE 5 -9.576 0.523 13.367 43 HD13 ILE 5 HD13 ILE 5 -8.632 1.819 14.103 44 H VAL 6 H VAL 6 -3.794 0.741 10.469 45 HA VAL 6 HA VAL 6 -4.541 -1.333 8.701 46 HB VAL 6 HB VAL 6 -2.096 -1.102 10.478 47 HG11 VAL 6 HG11 VAL 6 -2.802 -2.943 8.183 48 HG12 VAL 6 HG12 VAL 6 -2.181 -3.371 9.776 49 HG13 VAL 6 HG13 VAL 6 -1.124 -2.594 8.600 50 HG21 VAL 6 HG21 VAL 6 -2.341 -0.475 7.524 51 HG22 VAL 6 HG22 VAL 6 -1.019 -0.062 8.615 52 HG23 VAL 6 HG23 VAL 6 -2.576 0.752 8.768 53 H LYS 7 H LYS 7 -5.599 -3.125 9.091 54 HA LYS 7 HA LYS 7 -6.415 -3.955 11.690 55 HB2 LYS 7 HB2 LYS 7 -7.684 -4.448 9.586 56 HB3 LYS 7 HB3 LYS 7 -6.405 -5.570 9.121 57 HG2 LYS 7 HG2 LYS 7 -6.833 -6.949 11.086 58 HG3 LYS 7 HG3 LYS 7 -8.011 -5.786 11.688 59 HD2 LYS 7 HD2 LYS 7 -9.283 -7.529 10.655 60 HD3 LYS 7 HD3 LYS 7 -9.314 -6.176 9.526 61 HE2 LYS 7 HE2 LYS 7 -7.513 -7.195 8.214 62 HE3 LYS 7 HE3 LYS 7 -7.396 -8.524 9.365 63 HZ1 LYS 7 HZ1 LYS 7 -8.732 -9.062 7.383 64 HZ2 LYS 7 HZ2 LYS 7 -9.838 -7.847 7.817 65 HZ3 LYS 7 HZ3 LYS 7 -9.614 -9.197 8.825 66 H TRP 8 H TRP 8 -4.006 -5.145 9.371 67 HA TRP 8 HA TRP 8 -2.277 -6.094 11.474 68 HB2 TRP 8 HB2 TRP 8 -4.110 -7.900 11.067 69 HB3 TRP 8 HB3 TRP 8 -3.268 -8.196 9.550 70 HD1 TRP 8 HD1 TRP 8 -0.857 -9.277 9.658 71 HE1 TRP 8 HE1 TRP 8 0.405 -10.515 11.535 72 HE3 TRP 8 HE3 TRP 8 -3.758 -8.004 13.663 73 HZ2 TRP 8 HZ2 TRP 8 0.205 -10.919 14.360 74 HZ3 TRP 8 HZ3 TRP 8 -3.204 -8.833 15.932 75 HH2 TRP 8 HH2 TRP 8 -1.228 -10.288 16.285 76 H PHE 9 H PHE 9 -0.252 -5.709 10.762 77 HA PHE 9 HA PHE 9 0.204 -5.617 7.825 78 HB2 PHE 9 HB2 PHE 9 0.646 -3.519 9.186 79 HB3 PHE 9 HB3 PHE 9 1.966 -4.399 9.957 80 HD1 PHE 9 HD1 PHE 9 0.781 -2.826 6.866 81 HD2 PHE 9 HD2 PHE 9 3.931 -5.134 8.656 82 HE1 PHE 9 HE1 PHE 9 2.242 -2.339 4.923 83 HE2 PHE 9 HE2 PHE 9 5.391 -4.643 6.712 84 HZ PHE 9 HZ PHE 9 4.548 -3.247 4.847 85 H ASN 10 H ASN 10 1.343 -7.255 6.961 86 HA ASN 10 HA ASN 10 3.285 -8.678 8.693 87 HB2 ASN 10 HB2 ASN 10 1.322 -9.819 6.703 88 HB3 ASN 10 HB3 ASN 10 2.705 -10.725 7.308 89 HD21 ASN 10 HD21 ASN 10 -0.089 -11.438 7.798 90 HD22 ASN 10 HD22 ASN 10 -0.340 -11.341 9.474 91 H SER 11 H SER 11 5.088 -7.570 7.927 92 HA SER 11 HA SER 11 5.664 -7.053 5.221 93 HB2 SER 11 HB2 SER 11 7.946 -6.647 6.000 94 HB3 SER 11 HB3 SER 11 6.785 -5.927 7.110 95 HG SER 11 HG SER 11 8.386 -7.112 8.221 96 H ASP 12 H ASP 12 6.247 -9.881 7.256 97 HA ASP 12 HA ASP 12 8.136 -11.215 5.645 98 HB2 ASP 12 HB2 ASP 12 5.971 -12.275 7.480 99 HB3 ASP 12 HB3 ASP 12 7.157 -13.312 6.694 100 H LYS 13 H LYS 13 4.596 -11.205 5.606 101 HA LYS 13 HA LYS 13 4.363 -12.964 3.341 102 HB2 LYS 13 HB2 LYS 13 2.405 -11.102 4.706 103 HB3 LYS 13 HB3 LYS 13 1.978 -12.160 3.363 104 HG2 LYS 13 HG2 LYS 13 2.709 -14.123 4.667 105 HG3 LYS 13 HG3 LYS 13 3.129 -13.066 6.016 106 HD2 LYS 13 HD2 LYS 13 0.792 -12.336 6.201 107 HD3 LYS 13 HD3 LYS 13 0.356 -13.340 4.815 108 HE2 LYS 13 HE2 LYS 13 -0.207 -14.516 6.887 109 HE3 LYS 13 HE3 LYS 13 1.115 -15.353 6.074 110 HZ1 LYS 13 HZ1 LYS 13 2.622 -14.686 7.627 111 HZ2 LYS 13 HZ2 LYS 13 1.239 -14.781 8.608 112 HZ3 LYS 13 HZ3 LYS 13 1.773 -13.274 8.032 113 H GLY 14 H GLY 14 4.767 -9.553 3.869 114 HA2 GLY 14 HA2 GLY 14 5.568 -8.005 2.280 115 HA3 GLY 14 HA3 GLY 14 5.051 -9.086 0.995 116 H PHE 15 H PHE 15 2.582 -8.761 3.297 117 HA PHE 15 HA PHE 15 1.457 -6.305 2.268 118 HB2 PHE 15 HB2 PHE 15 -0.580 -7.335 1.334 119 HB3 PHE 15 HB3 PHE 15 0.865 -7.790 0.435 120 HD1 PHE 15 HD1 PHE 15 -1.714 -8.952 2.814 121 HD2 PHE 15 HD2 PHE 15 1.694 -10.069 0.448 122 HE1 PHE 15 HE1 PHE 15 -2.251 -11.347 3.171 123 HE2 PHE 15 HE2 PHE 15 1.160 -12.463 0.810 124 HZ PHE 15 HZ PHE 15 -0.812 -13.103 2.170 125 H GLY 16 H GLY 16 -0.870 -6.060 3.073 126 HA2 GLY 16 HA2 GLY 16 -1.524 -7.453 5.525 127 HA3 GLY 16 HA3 GLY 16 -1.007 -5.783 5.755 128 H PHE 17 H PHE 17 -3.468 -6.314 6.575 129 HA PHE 17 HA PHE 17 -5.274 -5.316 4.449 130 HB2 PHE 17 HB2 PHE 17 -5.895 -6.972 6.910 131 HB3 PHE 17 HB3 PHE 17 -7.107 -6.303 5.822 132 HD1 PHE 17 HD1 PHE 17 -4.450 -8.813 6.221 133 HD2 PHE 17 HD2 PHE 17 -7.380 -7.170 3.547 134 HE1 PHE 17 HE1 PHE 17 -4.189 -10.776 4.731 135 HE2 PHE 17 HE2 PHE 17 -7.120 -9.133 2.056 136 HZ PHE 17 HZ PHE 17 -5.524 -10.937 2.645 137 H ILE 18 H ILE 18 -6.338 -3.414 4.826 138 HA ILE 18 HA ILE 18 -5.880 -2.154 7.451 139 HB ILE 18 HB ILE 18 -4.687 -1.032 5.621 140 HG12 ILE 18 HG12 ILE 18 -7.020 0.719 6.423 141 HG13 ILE 18 HG13 ILE 18 -5.784 0.227 7.583 142 HG21 ILE 18 HG21 ILE 18 -7.466 -0.810 4.438 143 HG22 ILE 18 HG22 ILE 18 -6.043 -1.560 3.713 144 HG23 ILE 18 HG23 ILE 18 -6.115 0.192 3.906 145 HD11 ILE 18 HD11 ILE 18 -5.280 2.439 6.548 146 HD12 ILE 18 HD12 ILE 18 -5.226 1.659 4.967 147 HD13 ILE 18 HD13 ILE 18 -4.040 1.236 6.199 148 H THR 19 H THR 19 -7.489 -1.179 8.525 149 HA THR 19 HA THR 19 -10.204 -1.838 7.665 150 HB THR 19 HB THR 19 -9.180 -0.905 10.350 151 HG1 THR 19 HG1 THR 19 -9.067 -2.994 10.860 152 HG21 THR 19 HG21 THR 19 -11.373 -1.780 11.158 153 HG22 THR 19 HG22 THR 19 -11.847 -2.063 9.483 154 HG23 THR 19 HG23 THR 19 -11.559 -0.418 10.052 155 HA PRO 20 HA PRO 20 -10.380 2.614 6.448 156 HB2 PRO 20 HB2 PRO 20 -13.224 1.788 6.003 157 HB3 PRO 20 HB3 PRO 20 -12.146 2.713 4.940 158 HG2 PRO 20 HG2 PRO 20 -12.678 0.203 4.392 159 HG3 PRO 20 HG3 PRO 20 -11.023 0.818 4.219 160 HD2 PRO 20 HD2 PRO 20 -12.178 -0.880 6.413 161 HD3 PRO 20 HD3 PRO 20 -10.584 -0.982 5.631 162 H GLU 21 H GLU 21 -10.764 4.280 7.834 163 HA GLU 21 HA GLU 21 -11.940 3.906 10.375 164 HB2 GLU 21 HB2 GLU 21 -11.710 6.340 10.636 165 HB3 GLU 21 HB3 GLU 21 -10.251 5.640 9.940 166 HG2 GLU 21 HG2 GLU 21 -10.957 6.335 7.694 167 HG3 GLU 21 HG3 GLU 21 -12.466 6.970 8.344 168 H ASP 22 H ASP 22 -13.265 4.977 7.317 169 HA ASP 22 HA ASP 22 -15.686 6.106 8.306 170 HB2 ASP 22 HB2 ASP 22 -14.890 5.016 5.605 171 HB3 ASP 22 HB3 ASP 22 -16.462 5.737 5.918 172 H GLY 23 H GLY 23 -14.636 2.845 7.893 173 HA2 GLY 23 HA2 GLY 23 -15.855 1.045 8.940 174 HA3 GLY 23 HA3 GLY 23 -17.349 1.878 8.538 175 H SER 24 H SER 24 -15.169 2.043 5.957 176 HA SER 24 HA SER 24 -16.765 0.365 4.285 177 HB2 SER 24 HB2 SER 24 -14.093 1.698 3.808 178 HB3 SER 24 HB3 SER 24 -15.040 0.881 2.572 179 HG SER 24 HG SER 24 -15.258 3.362 3.342 180 H LYS 25 H LYS 25 -15.678 -1.318 2.884 181 HA LYS 25 HA LYS 25 -14.774 -3.455 4.504 182 HB2 LYS 25 HB2 LYS 25 -14.691 -3.145 1.489 183 HB3 LYS 25 HB3 LYS 25 -14.451 -4.655 2.363 184 HG2 LYS 25 HG2 LYS 25 -16.963 -2.980 2.621 185 HG3 LYS 25 HG3 LYS 25 -16.800 -4.291 1.456 186 HD2 LYS 25 HD2 LYS 25 -16.323 -5.865 3.319 187 HD3 LYS 25 HD3 LYS 25 -16.550 -4.549 4.472 188 HE2 LYS 25 HE2 LYS 25 -18.616 -5.837 4.303 189 HE3 LYS 25 HE3 LYS 25 -18.867 -4.237 3.608 190 HZ1 LYS 25 HZ1 LYS 25 -17.971 -6.404 1.851 191 HZ2 LYS 25 HZ2 LYS 25 -18.942 -5.056 1.498 192 HZ3 LYS 25 HZ3 LYS 25 -19.598 -6.381 2.335 193 H ASP 26 H ASP 26 -12.770 -4.522 4.557 194 HA ASP 26 HA ASP 26 -10.514 -2.903 4.790 195 HB2 ASP 26 HB2 ASP 26 -10.809 -5.893 4.491 196 HB3 ASP 26 HB3 ASP 26 -9.261 -5.113 4.797 197 H LEU 27 H LEU 27 -8.723 -2.554 3.540 198 HA LEU 27 HA LEU 27 -8.969 -3.258 0.673 199 HB2 LEU 27 HB2 LEU 27 -7.678 -0.823 1.932 200 HB3 LEU 27 HB3 LEU 27 -7.734 -1.174 0.207 201 HG LEU 27 HG LEU 27 -10.212 -0.872 1.936 202 HD11 LEU 27 HD11 LEU 27 -8.765 1.122 0.172 203 HD12 LEU 27 HD12 LEU 27 -9.067 1.259 1.904 204 HD13 LEU 27 HD13 LEU 27 -10.410 1.350 0.766 205 HD21 LEU 27 HD21 LEU 27 -11.276 -0.528 -0.331 206 HD22 LEU 27 HD22 LEU 27 -10.636 -2.153 -0.084 207 HD23 LEU 27 HD23 LEU 27 -9.739 -0.991 -1.062 208 H PHE 28 H PHE 28 -7.075 -3.768 -0.476 209 HA PHE 28 HA PHE 28 -5.070 -5.154 1.088 210 HB2 PHE 28 HB2 PHE 28 -5.482 -4.779 -1.883 211 HB3 PHE 28 HB3 PHE 28 -4.139 -5.699 -1.200 212 HD1 PHE 28 HD1 PHE 28 -7.809 -5.550 -1.616 213 HD2 PHE 28 HD2 PHE 28 -4.495 -7.849 -0.139 214 HE1 PHE 28 HE1 PHE 28 -9.285 -7.529 -1.385 215 HE2 PHE 28 HE2 PHE 28 -5.971 -9.828 0.093 216 HZ PHE 28 HZ PHE 28 -8.367 -9.669 -0.531 217 H VAL 29 H VAL 29 -3.110 -4.446 1.629 218 HA VAL 29 HA VAL 29 -1.970 -2.107 0.234 219 HB VAL 29 HB VAL 29 -2.082 -2.526 3.235 220 HG11 VAL 29 HG11 VAL 29 -1.010 -0.219 3.261 221 HG12 VAL 29 HG12 VAL 29 -0.689 -0.437 1.541 222 HG13 VAL 29 HG13 VAL 29 0.046 -1.523 2.720 223 HG21 VAL 29 HG21 VAL 29 -3.526 -0.633 3.304 224 HG22 VAL 29 HG22 VAL 29 -4.152 -1.649 2.006 225 HG23 VAL 29 HG23 VAL 29 -3.187 -0.226 1.623 226 H HIS 30 H HIS 30 0.152 -2.334 -0.283 227 HA HIS 30 HA HIS 30 1.528 -4.771 0.670 228 HB2 HIS 30 HB2 HIS 30 1.922 -3.162 -1.864 229 HB3 HIS 30 HB3 HIS 30 2.909 -4.544 -1.391 230 HD2 HIS 30 HD2 HIS 30 -0.346 -3.878 -3.281 231 HE1 HIS 30 HE1 HIS 30 -0.447 -7.961 -2.211 232 HE2 HIS 30 HE2 HIS 30 -1.546 -6.169 -3.636 233 H HIS 31 H HIS 31 3.711 -4.687 1.228 234 HA HIS 31 HA HIS 31 4.545 -2.434 2.731 235 HB2 HIS 31 HB2 HIS 31 5.288 -4.808 3.111 236 HB3 HIS 31 HB3 HIS 31 6.293 -4.670 1.669 237 HD2 HIS 31 HD2 HIS 31 6.362 -3.598 5.408 238 HE1 HIS 31 HE1 HIS 31 9.759 -1.909 3.561 239 HE2 HIS 31 HE2 HIS 31 8.616 -2.339 5.787 240 H SER 32 H SER 32 5.510 -3.671 -0.437 241 HA SER 32 HA SER 32 7.442 -1.643 -0.980 242 HB2 SER 32 HB2 SER 32 7.494 -2.578 -3.223 243 HB3 SER 32 HB3 SER 32 7.468 -3.878 -2.034 244 HG SER 32 HG SER 32 5.213 -4.034 -2.387 245 H GLU 33 H GLU 33 4.083 -1.429 -0.904 246 HA GLU 33 HA GLU 33 3.551 0.152 -3.199 247 HB2 GLU 33 HB2 GLU 33 1.888 -1.081 -1.697 248 HB3 GLU 33 HB3 GLU 33 2.026 0.291 -0.603 249 HG2 GLU 33 HG2 GLU 33 0.119 0.636 -2.072 250 HG3 GLU 33 HG3 GLU 33 1.373 1.805 -2.474 251 H ILE 34 H ILE 34 4.859 0.957 -0.038 252 HA ILE 34 HA ILE 34 4.311 3.766 -0.178 253 HB ILE 34 HB ILE 34 4.732 2.620 1.964 254 HG12 ILE 34 HG12 ILE 34 6.966 4.610 1.505 255 HG13 ILE 34 HG13 ILE 34 5.276 5.106 1.535 256 HG21 ILE 34 HG21 ILE 34 7.663 2.479 1.237 257 HG22 ILE 34 HG22 ILE 34 6.577 1.133 0.898 258 HG23 ILE 34 HG23 ILE 34 6.812 1.676 2.558 259 HD11 ILE 34 HD11 ILE 34 6.872 3.823 3.763 260 HD12 ILE 34 HD12 ILE 34 5.110 3.925 3.796 261 HD13 ILE 34 HD13 ILE 34 6.080 5.399 3.769 262 H GLN 35 H GLN 35 5.298 5.276 -1.322 263 HA GLN 35 HA GLN 35 7.286 4.702 -3.240 264 HB2 GLN 35 HB2 GLN 35 6.234 7.310 -2.145 265 HB3 GLN 35 HB3 GLN 35 7.392 7.216 -3.471 266 HG2 GLN 35 HG2 GLN 35 5.841 5.947 -4.824 267 HG3 GLN 35 HG3 GLN 35 4.716 5.795 -3.477 268 HE21 GLN 35 HE21 GLN 35 4.285 7.100 -6.162 269 HE22 GLN 35 HE22 GLN 35 3.824 8.695 -5.811 270 H SER 36 H SER 36 7.491 6.210 -0.027 271 HA SER 36 HA SER 36 10.154 7.099 -0.178 272 HB2 SER 36 HB2 SER 36 8.529 6.181 2.200 273 HB3 SER 36 HB3 SER 36 10.096 6.976 2.322 274 HG SER 36 HG SER 36 9.139 8.707 1.078 275 H GLY 37 H GLY 37 8.825 4.003 0.971 276 HA2 GLY 37 HA2 GLY 37 9.796 1.941 1.289 277 HA3 GLY 37 HA3 GLY 37 10.950 2.425 0.052 278 H GLY 38 H GLY 38 10.529 4.139 3.107 279 HA2 GLY 38 HA2 GLY 38 13.287 4.157 3.706 280 HA3 GLY 38 HA3 GLY 38 11.997 4.582 4.825 281 H GLU 39 H GLU 39 14.572 2.816 4.816 282 HA GLU 39 HA GLU 39 13.790 0.154 5.390 283 HB2 GLU 39 HB2 GLU 39 16.108 0.825 4.814 284 HB3 GLU 39 HB3 GLU 39 16.232 1.673 6.353 285 HG2 GLU 39 HG2 GLU 39 17.267 -0.531 6.557 286 HG3 GLU 39 HG3 GLU 39 15.811 -0.474 7.542 287 H TYR 40 H TYR 40 14.308 3.009 7.427 288 HA TYR 40 HA TYR 40 13.951 1.754 9.940 289 HB2 TYR 40 HB2 TYR 40 13.479 4.616 9.086 290 HB3 TYR 40 HB3 TYR 40 13.477 4.061 10.758 291 HD1 TYR 40 HD1 TYR 40 15.547 4.736 7.798 292 HD2 TYR 40 HD2 TYR 40 15.541 3.271 11.835 293 HE1 TYR 40 HE1 TYR 40 18.018 4.915 7.864 294 HE2 TYR 40 HE2 TYR 40 18.015 3.449 11.902 295 HH TYR 40 HH TYR 40 19.893 3.511 10.366 296 H ALA 41 H ALA 41 11.691 3.277 7.683 297 HA ALA 41 HA ALA 41 9.415 3.363 9.297 298 HB1 ALA 41 HB1 ALA 41 9.503 2.791 6.326 299 HB2 ALA 41 HB2 ALA 41 9.616 4.400 7.040 300 HB3 ALA 41 HB3 ALA 41 8.142 3.451 7.232 301 H THR 42 H THR 42 8.105 1.889 10.096 302 HA THR 42 HA THR 42 8.003 -0.800 8.912 303 HB THR 42 HB THR 42 9.634 -0.934 10.738 304 HG1 THR 42 HG1 THR 42 8.671 -2.792 10.803 305 HG21 THR 42 HG21 THR 42 7.394 -0.082 12.590 306 HG22 THR 42 HG22 THR 42 8.672 1.006 12.047 307 HG23 THR 42 HG23 THR 42 9.073 -0.408 13.020 308 H LEU 43 H LEU 43 6.138 -2.062 9.643 309 HA LEU 43 HA LEU 43 3.936 -0.474 10.766 310 HB2 LEU 43 HB2 LEU 43 3.873 -1.959 8.136 311 HB3 LEU 43 HB3 LEU 43 2.418 -1.522 9.019 312 HG LEU 43 HG LEU 43 3.612 0.901 9.015 313 HD11 LEU 43 HD11 LEU 43 5.567 -0.214 7.698 314 HD12 LEU 43 HD12 LEU 43 4.962 1.344 7.143 315 HD13 LEU 43 HD13 LEU 43 4.478 -0.137 6.315 316 HD21 LEU 43 HD21 LEU 43 2.356 1.355 6.841 317 HD22 LEU 43 HD22 LEU 43 1.404 0.606 8.123 318 HD23 LEU 43 HD23 LEU 43 2.003 -0.373 6.785 319 H ALA 44 H ALA 44 2.293 -1.734 11.735 320 HA ALA 44 HA ALA 44 2.704 -4.625 11.961 321 HB1 ALA 44 HB1 ALA 44 3.058 -4.656 14.270 322 HB2 ALA 44 HB2 ALA 44 2.378 -3.045 14.497 323 HB3 ALA 44 HB3 ALA 44 3.982 -3.234 13.788 324 H ASP 45 H ASP 45 0.835 -4.843 14.229 325 HA ASP 45 HA ASP 45 -1.632 -4.543 12.731 326 HB2 ASP 45 HB2 ASP 45 -2.628 -5.804 14.608 327 HB3 ASP 45 HB3 ASP 45 -1.228 -6.625 13.932 328 H GLY 46 H GLY 46 -2.691 -2.678 12.785 329 HA2 GLY 46 HA2 GLY 46 -4.117 -1.155 13.968 330 HA3 GLY 46 HA3 GLY 46 -3.068 -1.307 15.369 331 H GLN 47 H GLN 47 -1.086 -1.009 12.703 332 HA GLN 47 HA GLN 47 -0.107 1.539 13.392 333 HB2 GLN 47 HB2 GLN 47 1.156 -0.253 12.199 334 HB3 GLN 47 HB3 GLN 47 0.197 0.073 10.759 335 HG2 GLN 47 HG2 GLN 47 2.341 1.248 10.629 336 HG3 GLN 47 HG3 GLN 47 1.027 2.405 10.755 337 HE21 GLN 47 HE21 GLN 47 1.677 4.099 12.093 338 HE22 GLN 47 HE22 GLN 47 2.571 3.917 13.525 339 H THR 48 H THR 48 -0.660 3.546 12.795 340 HA THR 48 HA THR 48 -3.030 3.934 11.143 341 HB THR 48 HB THR 48 -1.309 5.958 12.612 342 HG1 THR 48 HG1 THR 48 -2.373 5.358 14.302 343 HG21 THR 48 HG21 THR 48 -2.667 6.966 10.822 344 HG22 THR 48 HG22 THR 48 -3.310 7.405 12.404 345 HG23 THR 48 HG23 THR 48 -4.104 6.156 11.445 346 H VAL 49 H VAL 49 -3.001 4.489 9.058 347 HA VAL 49 HA VAL 49 -0.619 5.798 7.936 348 HB VAL 49 HB VAL 49 -0.573 4.240 6.013 349 HG11 VAL 49 HG11 VAL 49 -0.323 2.722 8.618 350 HG12 VAL 49 HG12 VAL 49 0.832 3.959 8.120 351 HG13 VAL 49 HG13 VAL 49 0.619 2.507 7.142 352 HG21 VAL 49 HG21 VAL 49 -1.751 2.034 6.300 353 HG22 VAL 49 HG22 VAL 49 -2.851 3.390 6.055 354 HG23 VAL 49 HG23 VAL 49 -2.616 2.725 7.671 355 H GLU 50 H GLU 50 -0.961 6.409 5.617 356 HA GLU 50 HA GLU 50 -3.740 7.340 5.185 357 HB2 GLU 50 HB2 GLU 50 -1.140 8.644 4.314 358 HB3 GLU 50 HB3 GLU 50 -2.758 9.231 3.924 359 HG2 GLU 50 HG2 GLU 50 -3.236 9.493 6.339 360 HG3 GLU 50 HG3 GLU 50 -1.608 8.933 6.716 361 H TYR 51 H TYR 51 -4.623 6.967 3.153 362 HA TYR 51 HA TYR 51 -2.961 5.938 1.004 363 HB2 TYR 51 HB2 TYR 51 -4.184 3.807 0.802 364 HB3 TYR 51 HB3 TYR 51 -3.314 3.914 2.326 365 HD1 TYR 51 HD1 TYR 51 -6.633 3.950 0.728 366 HD2 TYR 51 HD2 TYR 51 -4.506 4.183 4.451 367 HE1 TYR 51 HE1 TYR 51 -8.754 3.590 1.961 368 HE2 TYR 51 HE2 TYR 51 -6.627 3.822 5.684 369 HH TYR 51 HH TYR 51 -9.341 2.612 4.357 370 H GLU 52 H GLU 52 -4.184 5.421 -0.945 371 HA GLU 52 HA GLU 52 -6.654 7.040 -1.188 372 HB2 GLU 52 HB2 GLU 52 -4.634 7.962 -2.397 373 HB3 GLU 52 HB3 GLU 52 -4.628 6.494 -3.373 374 HG2 GLU 52 HG2 GLU 52 -6.931 6.978 -4.122 375 HG3 GLU 52 HG3 GLU 52 -6.937 8.447 -3.151 376 H VAL 53 H VAL 53 -8.410 5.968 -1.895 377 HA VAL 53 HA VAL 53 -8.171 3.113 -2.461 378 HB VAL 53 HB VAL 53 -10.630 4.876 -2.183 379 HG11 VAL 53 HG11 VAL 53 -11.846 2.743 -1.909 380 HG12 VAL 53 HG12 VAL 53 -10.352 1.851 -2.200 381 HG13 VAL 53 HG13 VAL 53 -11.065 2.822 -3.488 382 HG21 VAL 53 HG21 VAL 53 -9.070 3.167 -0.237 383 HG22 VAL 53 HG22 VAL 53 -10.768 3.556 0.043 384 HG23 VAL 53 HG23 VAL 53 -9.570 4.847 -0.060 385 H GLY 54 H GLY 54 -7.956 2.365 -4.450 386 HA2 GLY 54 HA2 GLY 54 -9.142 3.886 -6.705 387 HA3 GLY 54 HA3 GLY 54 -7.582 3.076 -6.820 388 H GLN 55 H GLN 55 -10.867 2.788 -7.385 389 HA GLN 55 HA GLN 55 -11.448 0.099 -6.921 390 HB2 GLN 55 HB2 GLN 55 -13.105 1.852 -7.575 391 HB3 GLN 55 HB3 GLN 55 -12.454 1.807 -9.215 392 HG2 GLN 55 HG2 GLN 55 -13.026 -0.597 -9.368 393 HG3 GLN 55 HG3 GLN 55 -13.698 -0.538 -7.739 394 HE21 GLN 55 HE21 GLN 55 -15.936 -0.385 -7.807 395 HE22 GLN 55 HE22 GLN 55 -16.820 0.482 -8.967 396 H GLY 56 H GLY 56 -11.127 -1.757 -8.028 397 HA2 GLY 56 HA2 GLY 56 -9.880 -1.754 -10.667 398 HA3 GLY 56 HA3 GLY 56 -8.930 -2.448 -9.355 399 H GLN 57 H GLN 57 -9.384 -4.175 -11.240 400 HA GLN 57 HA GLN 57 -11.838 -5.565 -11.283 401 HB2 GLN 57 HB2 GLN 57 -9.014 -6.420 -11.936 402 HB3 GLN 57 HB3 GLN 57 -10.427 -7.444 -12.212 403 HG2 GLN 57 HG2 GLN 57 -11.399 -5.820 -13.710 404 HG3 GLN 57 HG3 GLN 57 -10.163 -4.632 -13.305 405 HE21 GLN 57 HE21 GLN 57 -10.817 -5.862 -15.988 406 HE22 GLN 57 HE22 GLN 57 -9.364 -6.558 -16.522 407 H LYS 58 H LYS 58 -8.942 -5.949 -9.294 408 HA LYS 58 HA LYS 58 -10.073 -8.242 -7.882 409 HB2 LYS 58 HB2 LYS 58 -7.455 -6.772 -7.478 410 HB3 LYS 58 HB3 LYS 58 -7.926 -8.262 -6.666 411 HG2 LYS 58 HG2 LYS 58 -7.754 -8.006 -9.681 412 HG3 LYS 58 HG3 LYS 58 -6.413 -8.570 -8.686 413 HD2 LYS 58 HD2 LYS 58 -7.851 -10.398 -7.814 414 HD3 LYS 58 HD3 LYS 58 -9.160 -9.851 -8.859 415 HE2 LYS 58 HE2 LYS 58 -7.982 -11.696 -9.942 416 HE3 LYS 58 HE3 LYS 58 -7.687 -10.206 -10.837 417 HZ1 LYS 58 HZ1 LYS 58 -5.670 -11.566 -10.418 418 HZ2 LYS 58 HZ2 LYS 58 -5.860 -11.271 -8.755 419 HZ3 LYS 58 HZ3 LYS 58 -5.564 -9.981 -9.821 420 H GLY 59 H GLY 59 -11.155 -5.379 -7.719 421 HA2 GLY 59 HA2 GLY 59 -12.454 -4.439 -5.996 422 HA3 GLY 59 HA3 GLY 59 -11.521 -5.360 -4.819 423 HA PRO 60 HA PRO 60 -10.026 -0.766 -5.416 424 HB2 PRO 60 HB2 PRO 60 -11.085 -0.500 -2.638 425 HB3 PRO 60 HB3 PRO 60 -11.125 0.660 -3.979 426 HG2 PRO 60 HG2 PRO 60 -13.311 -0.625 -3.275 427 HG3 PRO 60 HG3 PRO 60 -12.928 -0.362 -4.986 428 HD2 PRO 60 HD2 PRO 60 -12.614 -2.872 -3.351 429 HD3 PRO 60 HD3 PRO 60 -13.195 -2.686 -5.024 430 H CYS 61 H CYS 61 -8.011 -0.264 -4.777 431 HA CYS 61 HA CYS 61 -6.782 -1.841 -2.591 432 HB2 CYS 61 HB2 CYS 61 -5.495 -0.764 -5.116 433 HB3 CYS 61 HB3 CYS 61 -4.659 -1.638 -3.833 434 HG CYS 61 HG CYS 61 -6.992 -3.013 -5.396 435 H ALA 62 H ALA 62 -4.775 -0.672 -1.686 436 HA ALA 62 HA ALA 62 -5.354 2.231 -1.505 437 HB1 ALA 62 HB1 ALA 62 -4.957 0.188 0.595 438 HB2 ALA 62 HB2 ALA 62 -5.849 1.706 0.650 439 HB3 ALA 62 HB3 ALA 62 -4.098 1.707 0.850 440 H ASN 63 H ASN 63 -3.740 3.502 -2.151 441 HA ASN 63 HA ASN 63 -0.982 2.406 -2.145 442 HB2 ASN 63 HB2 ASN 63 -0.567 3.738 -4.186 443 HB3 ASN 63 HB3 ASN 63 -1.821 2.527 -4.439 444 HD21 ASN 63 HD21 ASN 63 -3.380 3.452 -5.778 445 HD22 ASN 63 HD22 ASN 63 -4.011 5.016 -5.593 446 H LYS 64 H LYS 64 0.590 4.433 -2.548 447 HA LYS 64 HA LYS 64 1.571 6.260 -1.548 448 HB2 LYS 64 HB2 LYS 64 -1.301 7.228 -1.315 449 HB3 LYS 64 HB3 LYS 64 0.140 8.230 -1.164 450 HG2 LYS 64 HG2 LYS 64 -0.464 6.617 -3.655 451 HG3 LYS 64 HG3 LYS 64 -1.027 8.271 -3.444 452 HD2 LYS 64 HD2 LYS 64 1.889 7.512 -3.163 453 HD3 LYS 64 HD3 LYS 64 1.181 7.985 -4.705 454 HE2 LYS 64 HE2 LYS 64 0.409 10.118 -3.631 455 HE3 LYS 64 HE3 LYS 64 1.286 9.653 -2.174 456 HZ1 LYS 64 HZ1 LYS 64 3.296 9.946 -3.170 457 HZ2 LYS 64 HZ2 LYS 64 2.401 11.123 -4.008 458 HZ3 LYS 64 HZ3 LYS 64 2.715 9.617 -4.730 459 H VAL 65 H VAL 65 1.427 4.138 0.060 460 HA VAL 65 HA VAL 65 0.063 4.584 2.534 461 HB VAL 65 HB VAL 65 2.403 2.758 1.893 462 HG11 VAL 65 HG11 VAL 65 0.430 2.669 4.199 463 HG12 VAL 65 HG12 VAL 65 2.112 3.184 4.329 464 HG13 VAL 65 HG13 VAL 65 1.732 1.516 3.899 465 HG21 VAL 65 HG21 VAL 65 0.788 1.046 1.487 466 HG22 VAL 65 HG22 VAL 65 0.224 2.451 0.584 467 HG23 VAL 65 HG23 VAL 65 -0.527 2.034 2.123 468 H VAL 66 H VAL 66 0.543 6.084 3.928 469 HA VAL 66 HA VAL 66 3.379 6.837 4.377 470 HB VAL 66 HB VAL 66 0.949 8.659 4.504 471 HG11 VAL 66 HG11 VAL 66 2.669 10.454 4.803 472 HG12 VAL 66 HG12 VAL 66 3.901 9.202 4.960 473 HG13 VAL 66 HG13 VAL 66 2.612 9.326 6.158 474 HG21 VAL 66 HG21 VAL 66 1.872 9.736 2.537 475 HG22 VAL 66 HG22 VAL 66 1.737 8.011 2.197 476 HG23 VAL 66 HG23 VAL 66 3.306 8.711 2.594 477 H ALA 67 H ALA 67 4.062 6.389 6.363 478 HA ALA 67 HA ALA 67 2.265 5.470 8.408 479 HB1 ALA 67 HB1 ALA 67 5.243 5.996 8.391 480 HB2 ALA 67 HB2 ALA 67 4.433 4.436 8.254 481 HB3 ALA 67 HB3 ALA 67 4.375 5.329 9.773 482 H VAL 68 H VAL 68 1.486 6.529 10.137 483 HA VAL 68 HA VAL 68 2.568 9.167 10.848 484 HB VAL 68 HB VAL 68 -0.391 8.694 10.340 485 HG11 VAL 68 HG11 VAL 68 -0.514 11.172 10.675 486 HG12 VAL 68 HG12 VAL 68 1.185 11.161 11.147 487 HG13 VAL 68 HG13 VAL 68 -0.010 10.310 12.128 488 HG21 VAL 68 HG21 VAL 68 1.736 10.165 8.753 489 HG22 VAL 68 HG22 VAL 68 0.007 10.432 8.518 490 HG23 VAL 68 HG23 VAL 68 0.705 8.845 8.201 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -8.884 14.173 1.622 2 H2 MET 1 HT2 MET 1 -7.542 14.814 0.803 3 H3 MET 1 HT3 MET 1 -7.513 14.653 2.495 4 HA MET 1 HA MET 1 -7.436 12.507 0.457 5 HB2 MET 1 HB2 MET 1 -5.606 13.411 2.696 6 HB3 MET 1 HB3 MET 1 -5.393 11.893 1.823 7 HG2 MET 1 HG2 MET 1 -5.149 13.083 -0.285 8 HG3 MET 1 HG3 MET 1 -5.504 14.620 0.505 9 HE1 MET 1 HE1 MET 1 -3.183 11.540 1.739 10 HE2 MET 1 HE2 MET 1 -1.771 12.011 0.797 11 HE3 MET 1 HE3 MET 1 -3.299 11.690 -0.020 12 H SER 2 H SER 2 -6.886 10.374 1.773 13 HA SER 2 HA SER 2 -8.834 10.113 3.987 14 HB2 SER 2 HB2 SER 2 -8.338 8.165 1.724 15 HB3 SER 2 HB3 SER 2 -9.377 7.863 3.113 16 HG SER 2 HG SER 2 -9.774 9.447 0.886 17 H LYS 3 H LYS 3 -8.372 8.520 5.549 18 HA LYS 3 HA LYS 3 -5.857 7.068 5.463 19 HB2 LYS 3 HB2 LYS 3 -4.929 8.099 7.487 20 HB3 LYS 3 HB3 LYS 3 -5.119 9.290 6.206 21 HG2 LYS 3 HG2 LYS 3 -7.235 10.058 7.226 22 HG3 LYS 3 HG3 LYS 3 -7.036 8.869 8.516 23 HD2 LYS 3 HD2 LYS 3 -4.913 9.940 9.179 24 HD3 LYS 3 HD3 LYS 3 -5.110 11.129 7.892 25 HE2 LYS 3 HE2 LYS 3 -7.213 11.903 8.919 26 HE3 LYS 3 HE3 LYS 3 -7.027 10.709 10.205 27 HZ1 LYS 3 HZ1 LYS 3 -6.184 12.735 11.031 28 HZ2 LYS 3 HZ2 LYS 3 -5.288 13.037 9.621 29 HZ3 LYS 3 HZ3 LYS 3 -4.828 11.785 10.671 30 H GLY 4 H GLY 4 -5.867 5.301 6.755 31 HA2 GLY 4 HA2 GLY 4 -8.096 4.982 8.677 32 HA3 GLY 4 HA3 GLY 4 -7.771 3.747 7.464 33 H ILE 5 H ILE 5 -7.641 2.459 9.533 34 HA ILE 5 HA ILE 5 -4.878 2.568 10.606 35 HB ILE 5 HB ILE 5 -5.821 1.364 12.614 36 HG12 ILE 5 HG12 ILE 5 -8.511 2.367 11.643 37 HG13 ILE 5 HG13 ILE 5 -7.979 0.717 11.336 38 HG21 ILE 5 HG21 ILE 5 -5.335 3.836 12.477 39 HG22 ILE 5 HG22 ILE 5 -6.569 3.405 13.659 40 HG23 ILE 5 HG23 ILE 5 -7.040 4.091 12.103 41 HD11 ILE 5 HD11 ILE 5 -7.694 0.349 13.759 42 HD12 ILE 5 HD12 ILE 5 -9.345 0.854 13.397 43 HD13 ILE 5 HD13 ILE 5 -8.197 2.011 14.074 44 H VAL 6 H VAL 6 -3.639 0.887 10.286 45 HA VAL 6 HA VAL 6 -4.462 -1.225 8.583 46 HB VAL 6 HB VAL 6 -1.921 -0.950 10.218 47 HG11 VAL 6 HG11 VAL 6 -2.034 -3.224 9.547 48 HG12 VAL 6 HG12 VAL 6 -1.051 -2.455 8.301 49 HG13 VAL 6 HG13 VAL 6 -2.748 -2.817 7.986 50 HG21 VAL 6 HG21 VAL 6 -0.957 0.073 8.282 51 HG22 VAL 6 HG22 VAL 6 -2.502 0.886 8.520 52 HG23 VAL 6 HG23 VAL 6 -2.339 -0.352 7.275 53 H LYS 7 H LYS 7 -5.494 -3.001 9.071 54 HA LYS 7 HA LYS 7 -6.119 -3.804 11.736 55 HB2 LYS 7 HB2 LYS 7 -7.559 -4.317 9.751 56 HB3 LYS 7 HB3 LYS 7 -6.331 -5.460 9.203 57 HG2 LYS 7 HG2 LYS 7 -6.572 -6.732 11.313 58 HG3 LYS 7 HG3 LYS 7 -7.806 -5.597 11.856 59 HD2 LYS 7 HD2 LYS 7 -8.066 -7.151 9.273 60 HD3 LYS 7 HD3 LYS 7 -8.662 -7.770 10.812 61 HE2 LYS 7 HE2 LYS 7 -10.026 -5.680 11.064 62 HE3 LYS 7 HE3 LYS 7 -9.509 -5.197 9.449 63 HZ1 LYS 7 HZ1 LYS 7 -10.431 -7.339 8.639 64 HZ2 LYS 7 HZ2 LYS 7 -11.602 -6.279 9.264 65 HZ3 LYS 7 HZ3 LYS 7 -11.075 -7.605 10.184 66 H TRP 8 H TRP 8 -3.865 -4.994 9.266 67 HA TRP 8 HA TRP 8 -2.024 -5.962 11.262 68 HB2 TRP 8 HB2 TRP 8 -3.868 -7.765 10.968 69 HB3 TRP 8 HB3 TRP 8 -3.145 -8.043 9.386 70 HD1 TRP 8 HD1 TRP 8 -0.708 -9.084 9.302 71 HE1 TRP 8 HE1 TRP 8 0.683 -10.363 11.055 72 HE3 TRP 8 HE3 TRP 8 -3.357 -7.962 13.519 73 HZ2 TRP 8 HZ2 TRP 8 0.671 -10.851 13.873 74 HZ3 TRP 8 HZ3 TRP 8 -2.649 -8.849 15.722 75 HH2 TRP 8 HH2 TRP 8 -0.639 -10.291 15.905 76 H PHE 9 H PHE 9 -0.025 -5.641 10.449 77 HA PHE 9 HA PHE 9 0.274 -5.579 7.488 78 HB2 PHE 9 HB2 PHE 9 0.718 -3.421 8.795 79 HB3 PHE 9 HB3 PHE 9 2.138 -4.239 9.454 80 HD1 PHE 9 HD1 PHE 9 0.707 -2.579 6.557 81 HD2 PHE 9 HD2 PHE 9 3.907 -5.122 7.879 82 HE1 PHE 9 HE1 PHE 9 1.955 -2.088 4.473 83 HE2 PHE 9 HE2 PHE 9 5.157 -4.625 5.795 84 HZ PHE 9 HZ PHE 9 4.183 -3.111 4.093 85 H ASN 10 H ASN 10 1.518 -7.129 6.597 86 HA ASN 10 HA ASN 10 3.564 -8.435 8.296 87 HB2 ASN 10 HB2 ASN 10 1.540 -9.745 6.483 88 HB3 ASN 10 HB3 ASN 10 2.998 -10.566 7.031 89 HD21 ASN 10 HD21 ASN 10 0.290 -11.395 7.741 90 HD22 ASN 10 HD22 ASN 10 0.139 -11.227 9.422 91 H SER 11 H SER 11 5.341 -7.453 7.418 92 HA SER 11 HA SER 11 5.769 -6.924 4.691 93 HB2 SER 11 HB2 SER 11 7.737 -7.335 6.952 94 HB3 SER 11 HB3 SER 11 8.162 -6.718 5.358 95 HG SER 11 HG SER 11 7.763 -4.955 6.609 96 H ASP 12 H ASP 12 6.562 -9.732 6.710 97 HA ASP 12 HA ASP 12 8.247 -11.099 4.931 98 HB2 ASP 12 HB2 ASP 12 6.296 -12.125 7.006 99 HB3 ASP 12 HB3 ASP 12 7.401 -13.175 6.123 100 H LYS 13 H LYS 13 4.713 -11.106 5.242 101 HA LYS 13 HA LYS 13 4.286 -12.935 3.059 102 HB2 LYS 13 HB2 LYS 13 2.433 -11.027 4.509 103 HB3 LYS 13 HB3 LYS 13 1.905 -12.170 3.271 104 HG2 LYS 13 HG2 LYS 13 2.726 -14.048 4.603 105 HG3 LYS 13 HG3 LYS 13 3.369 -12.941 5.816 106 HD2 LYS 13 HD2 LYS 13 1.290 -13.669 6.708 107 HD3 LYS 13 HD3 LYS 13 0.960 -12.064 6.051 108 HE2 LYS 13 HE2 LYS 13 -0.827 -13.492 5.317 109 HE3 LYS 13 HE3 LYS 13 0.207 -13.212 3.918 110 HZ1 LYS 13 HZ1 LYS 13 -0.240 -15.649 5.436 111 HZ2 LYS 13 HZ2 LYS 13 1.357 -15.376 4.927 112 HZ3 LYS 13 HZ3 LYS 13 0.100 -15.444 3.787 113 H GLY 14 H GLY 14 4.668 -9.505 3.478 114 HA2 GLY 14 HA2 GLY 14 5.373 -7.995 1.810 115 HA3 GLY 14 HA3 GLY 14 4.785 -9.104 0.582 116 H PHE 15 H PHE 15 2.438 -8.732 3.003 117 HA PHE 15 HA PHE 15 1.276 -6.285 2.005 118 HB2 PHE 15 HB2 PHE 15 -0.780 -7.302 1.119 119 HB3 PHE 15 HB3 PHE 15 0.638 -7.782 0.194 120 HD1 PHE 15 HD1 PHE 15 -1.959 -8.894 2.552 121 HD2 PHE 15 HD2 PHE 15 1.502 -10.068 0.294 122 HE1 PHE 15 HE1 PHE 15 -2.512 -11.279 2.944 123 HE2 PHE 15 HE2 PHE 15 0.949 -12.453 0.687 124 HZ PHE 15 HZ PHE 15 -1.059 -13.058 2.011 125 H GLY 16 H GLY 16 -1.025 -6.032 2.885 126 HA2 GLY 16 HA2 GLY 16 -1.603 -7.423 5.358 127 HA3 GLY 16 HA3 GLY 16 -1.074 -5.756 5.571 128 H PHE 17 H PHE 17 -3.514 -6.303 6.469 129 HA PHE 17 HA PHE 17 -5.392 -5.297 4.408 130 HB2 PHE 17 HB2 PHE 17 -5.938 -6.913 6.916 131 HB3 PHE 17 HB3 PHE 17 -7.178 -6.265 5.846 132 HD1 PHE 17 HD1 PHE 17 -4.514 -8.771 6.223 133 HD2 PHE 17 HD2 PHE 17 -7.521 -7.182 3.601 134 HE1 PHE 17 HE1 PHE 17 -4.301 -10.769 4.770 135 HE2 PHE 17 HE2 PHE 17 -7.311 -9.180 2.149 136 HZ PHE 17 HZ PHE 17 -5.699 -10.973 2.732 137 H ILE 18 H ILE 18 -6.389 -3.366 4.796 138 HA ILE 18 HA ILE 18 -5.849 -2.108 7.408 139 HB ILE 18 HB ILE 18 -4.679 -1.018 5.543 140 HG12 ILE 18 HG12 ILE 18 -6.947 0.791 6.406 141 HG13 ILE 18 HG13 ILE 18 -5.704 0.261 7.540 142 HG21 ILE 18 HG21 ILE 18 -7.481 -0.806 4.426 143 HG22 ILE 18 HG22 ILE 18 -6.040 -1.466 3.650 144 HG23 ILE 18 HG23 ILE 18 -6.188 0.273 3.900 145 HD11 ILE 18 HD11 ILE 18 -3.961 1.203 6.077 146 HD12 ILE 18 HD12 ILE 18 -5.123 2.447 6.535 147 HD13 ILE 18 HD13 ILE 18 -5.192 1.721 4.928 148 H THR 19 H THR 19 -7.415 -1.113 8.522 149 HA THR 19 HA THR 19 -10.160 -1.745 7.749 150 HB THR 19 HB THR 19 -9.035 -0.761 10.377 151 HG1 THR 19 HG1 THR 19 -9.219 -2.926 10.969 152 HG21 THR 19 HG21 THR 19 -11.416 -0.256 10.166 153 HG22 THR 19 HG22 THR 19 -11.212 -1.613 11.274 154 HG23 THR 19 HG23 THR 19 -11.745 -1.900 9.617 155 HA PRO 20 HA PRO 20 -10.341 2.687 6.472 156 HB2 PRO 20 HB2 PRO 20 -13.198 1.880 6.077 157 HB3 PRO 20 HB3 PRO 20 -12.125 2.775 4.985 158 HG2 PRO 20 HG2 PRO 20 -12.691 0.263 4.484 159 HG3 PRO 20 HG3 PRO 20 -11.030 0.855 4.280 160 HD2 PRO 20 HD2 PRO 20 -12.178 -0.783 6.525 161 HD3 PRO 20 HD3 PRO 20 -10.599 -0.934 5.714 162 H GLU 21 H GLU 21 -10.683 4.358 7.859 163 HA GLU 21 HA GLU 21 -11.841 3.998 10.414 164 HB2 GLU 21 HB2 GLU 21 -11.558 6.428 10.675 165 HB3 GLU 21 HB3 GLU 21 -10.116 5.688 9.986 166 HG2 GLU 21 HG2 GLU 21 -10.838 6.379 7.725 167 HG3 GLU 21 HG3 GLU 21 -12.285 7.113 8.411 168 H ASP 22 H ASP 22 -13.159 5.112 7.368 169 HA ASP 22 HA ASP 22 -15.546 6.297 8.357 170 HB2 ASP 22 HB2 ASP 22 -14.572 6.623 6.061 171 HB3 ASP 22 HB3 ASP 22 -15.139 5.003 5.657 172 H GLY 23 H GLY 23 -14.573 3.004 7.953 173 HA2 GLY 23 HA2 GLY 23 -15.816 1.248 9.057 174 HA3 GLY 23 HA3 GLY 23 -17.299 2.106 8.655 175 H SER 24 H SER 24 -15.134 2.178 6.053 176 HA SER 24 HA SER 24 -16.784 0.501 4.426 177 HB2 SER 24 HB2 SER 24 -14.104 1.797 3.892 178 HB3 SER 24 HB3 SER 24 -15.073 0.972 2.681 179 HG SER 24 HG SER 24 -16.087 2.793 2.487 180 H LYS 25 H LYS 25 -15.727 -1.205 3.024 181 HA LYS 25 HA LYS 25 -14.811 -3.333 4.658 182 HB2 LYS 25 HB2 LYS 25 -14.788 -3.076 1.639 183 HB3 LYS 25 HB3 LYS 25 -14.562 -4.572 2.538 184 HG2 LYS 25 HG2 LYS 25 -17.044 -2.844 2.756 185 HG3 LYS 25 HG3 LYS 25 -16.912 -4.223 1.671 186 HD2 LYS 25 HD2 LYS 25 -16.441 -5.689 3.629 187 HD3 LYS 25 HD3 LYS 25 -16.662 -4.301 4.695 188 HE2 LYS 25 HE2 LYS 25 -18.973 -4.030 3.866 189 HE3 LYS 25 HE3 LYS 25 -18.755 -5.422 2.806 190 HZ1 LYS 25 HZ1 LYS 25 -18.095 -6.606 4.987 191 HZ2 LYS 25 HZ2 LYS 25 -19.739 -6.351 4.648 192 HZ3 LYS 25 HZ3 LYS 25 -18.928 -5.336 5.743 193 H ASP 26 H ASP 26 -12.811 -4.440 4.629 194 HA ASP 26 HA ASP 26 -10.538 -2.848 4.843 195 HB2 ASP 26 HB2 ASP 26 -10.861 -5.823 4.450 196 HB3 ASP 26 HB3 ASP 26 -9.302 -5.062 4.744 197 H LEU 27 H LEU 27 -8.780 -2.458 3.568 198 HA LEU 27 HA LEU 27 -9.082 -3.072 0.686 199 HB2 LEU 27 HB2 LEU 27 -7.718 -0.702 1.998 200 HB3 LEU 27 HB3 LEU 27 -7.822 -0.994 0.265 201 HG LEU 27 HG LEU 27 -10.245 -0.680 2.073 202 HD11 LEU 27 HD11 LEU 27 -8.762 1.311 0.335 203 HD12 LEU 27 HD12 LEU 27 -9.097 1.430 2.062 204 HD13 LEU 27 HD13 LEU 27 -10.415 1.569 0.899 205 HD21 LEU 27 HD21 LEU 27 -10.806 -1.895 0.063 206 HD22 LEU 27 HD22 LEU 27 -9.852 -0.797 -0.935 207 HD23 LEU 27 HD23 LEU 27 -11.343 -0.233 -0.183 208 H PHE 28 H PHE 28 -7.220 -3.622 -0.496 209 HA PHE 28 HA PHE 28 -5.202 -5.032 1.035 210 HB2 PHE 28 HB2 PHE 28 -5.690 -4.705 -1.930 211 HB3 PHE 28 HB3 PHE 28 -4.348 -5.639 -1.264 212 HD1 PHE 28 HD1 PHE 28 -8.011 -5.446 -1.644 213 HD2 PHE 28 HD2 PHE 28 -4.728 -7.739 -0.089 214 HE1 PHE 28 HE1 PHE 28 -9.517 -7.391 -1.330 215 HE2 PHE 28 HE2 PHE 28 -6.235 -9.682 0.227 216 HZ PHE 28 HZ PHE 28 -8.629 -9.509 -0.393 217 H VAL 29 H VAL 29 -3.210 -4.356 1.501 218 HA VAL 29 HA VAL 29 -2.076 -2.056 0.036 219 HB VAL 29 HB VAL 29 -2.110 -2.420 3.045 220 HG11 VAL 29 HG11 VAL 29 -1.022 -0.077 2.930 221 HG12 VAL 29 HG12 VAL 29 -0.663 -0.468 1.248 222 HG13 VAL 29 HG13 VAL 29 0.008 -1.455 2.543 223 HG21 VAL 29 HG21 VAL 29 -3.217 -0.130 1.414 224 HG22 VAL 29 HG22 VAL 29 -3.520 -0.500 3.112 225 HG23 VAL 29 HG23 VAL 29 -4.196 -1.530 1.851 226 H HIS 30 H HIS 30 0.034 -2.298 -0.521 227 HA HIS 30 HA HIS 30 1.422 -4.736 0.428 228 HB2 HIS 30 HB2 HIS 30 1.753 -3.217 -2.173 229 HB3 HIS 30 HB3 HIS 30 2.676 -4.642 -1.700 230 HD2 HIS 30 HD2 HIS 30 -0.591 -3.830 -3.500 231 HE1 HIS 30 HE1 HIS 30 -0.894 -7.877 -2.344 232 HE2 HIS 30 HE2 HIS 30 -1.931 -6.053 -3.773 233 H HIS 31 H HIS 31 3.727 -4.628 0.676 234 HA HIS 31 HA HIS 31 4.648 -2.369 2.126 235 HB2 HIS 31 HB2 HIS 31 5.516 -4.716 2.394 236 HB3 HIS 31 HB3 HIS 31 6.350 -4.527 0.849 237 HD2 HIS 31 HD2 HIS 31 6.741 -3.381 4.573 238 HE1 HIS 31 HE1 HIS 31 9.927 -1.693 2.371 239 HE2 HIS 31 HE2 HIS 31 8.998 -2.078 4.704 240 H SER 32 H SER 32 5.151 -3.476 -1.181 241 HA SER 32 HA SER 32 7.065 -1.600 -2.013 242 HB2 SER 32 HB2 SER 32 4.907 -3.022 -3.580 243 HB3 SER 32 HB3 SER 32 6.203 -2.085 -4.314 244 HG SER 32 HG SER 32 6.452 -4.493 -3.918 245 H GLU 33 H GLU 33 3.543 -1.387 -1.840 246 HA GLU 33 HA GLU 33 3.269 1.026 -3.315 247 HB2 GLU 33 HB2 GLU 33 1.473 -0.321 -1.296 248 HB3 GLU 33 HB3 GLU 33 1.010 1.115 -2.205 249 HG2 GLU 33 HG2 GLU 33 1.846 -1.533 -3.427 250 HG3 GLU 33 HG3 GLU 33 0.188 -0.960 -3.288 251 H ILE 34 H ILE 34 4.115 0.416 0.038 252 HA ILE 34 HA ILE 34 3.619 3.217 0.748 253 HB ILE 34 HB ILE 34 2.933 1.527 2.388 254 HG12 ILE 34 HG12 ILE 34 5.376 2.958 3.474 255 HG13 ILE 34 HG13 ILE 34 3.876 3.796 3.098 256 HG21 ILE 34 HG21 ILE 34 5.833 0.702 2.211 257 HG22 ILE 34 HG22 ILE 34 4.392 -0.296 2.021 258 HG23 ILE 34 HG23 ILE 34 4.841 0.306 3.615 259 HD11 ILE 34 HD11 ILE 34 4.436 1.797 5.262 260 HD12 ILE 34 HD12 ILE 34 2.798 1.906 4.617 261 HD13 ILE 34 HD13 ILE 34 3.554 3.321 5.354 262 H GLN 35 H GLN 35 5.135 4.706 1.112 263 HA GLN 35 HA GLN 35 7.936 3.987 0.487 264 HB2 GLN 35 HB2 GLN 35 6.772 5.493 -1.150 265 HB3 GLN 35 HB3 GLN 35 6.584 6.676 0.143 266 HG2 GLN 35 HG2 GLN 35 9.026 6.781 0.423 267 HG3 GLN 35 HG3 GLN 35 9.233 5.569 -0.840 268 HE21 GLN 35 HE21 GLN 35 9.973 8.583 -0.658 269 HE22 GLN 35 HE22 GLN 35 9.360 9.224 -2.106 270 H SER 36 H SER 36 9.535 4.635 1.854 271 HA SER 36 HA SER 36 8.840 6.332 4.156 272 HB2 SER 36 HB2 SER 36 9.933 4.788 5.695 273 HB3 SER 36 HB3 SER 36 8.605 3.978 4.870 274 HG SER 36 HG SER 36 11.323 3.542 4.742 275 H GLY 37 H GLY 37 10.741 7.117 5.319 276 HA2 GLY 37 HA2 GLY 37 12.659 8.266 3.619 277 HA3 GLY 37 HA3 GLY 37 12.753 8.221 5.375 278 H GLY 38 H GLY 38 12.803 5.398 5.696 279 HA2 GLY 38 HA2 GLY 38 15.049 4.363 4.166 280 HA3 GLY 38 HA3 GLY 38 15.398 4.716 5.854 281 H GLU 39 H GLU 39 15.800 2.223 5.285 282 HA GLU 39 HA GLU 39 13.604 0.448 5.284 283 HB2 GLU 39 HB2 GLU 39 15.245 -1.277 5.856 284 HB3 GLU 39 HB3 GLU 39 15.864 -0.216 4.593 285 HG2 GLU 39 HG2 GLU 39 17.108 1.074 6.326 286 HG3 GLU 39 HG3 GLU 39 16.537 -0.052 7.550 287 H TYR 40 H TYR 40 14.840 2.391 7.812 288 HA TYR 40 HA TYR 40 14.387 0.784 10.080 289 HB2 TYR 40 HB2 TYR 40 14.175 3.781 9.736 290 HB3 TYR 40 HB3 TYR 40 14.154 2.953 11.291 291 HD1 TYR 40 HD1 TYR 40 16.221 3.942 8.422 292 HD2 TYR 40 HD2 TYR 40 16.149 1.784 12.134 293 HE1 TYR 40 HE1 TYR 40 18.700 3.871 8.428 294 HE2 TYR 40 HE2 TYR 40 18.628 1.713 12.141 295 HH TYR 40 HH TYR 40 20.477 1.876 9.994 296 H ALA 41 H ALA 41 12.221 2.859 8.201 297 HA ALA 41 HA ALA 41 10.009 2.840 9.925 298 HB1 ALA 41 HB1 ALA 41 10.471 4.122 7.670 299 HB2 ALA 41 HB2 ALA 41 8.819 3.764 8.172 300 HB3 ALA 41 HB3 ALA 41 9.610 2.755 6.963 301 H THR 42 H THR 42 8.584 1.363 10.467 302 HA THR 42 HA THR 42 8.247 -1.054 8.804 303 HB THR 42 HB THR 42 8.163 -2.434 10.853 304 HG1 THR 42 HG1 THR 42 8.046 -1.465 12.684 305 HG21 THR 42 HG21 THR 42 10.267 -2.525 9.806 306 HG22 THR 42 HG22 THR 42 10.660 -2.106 11.472 307 HG23 THR 42 HG23 THR 42 10.654 -0.858 10.228 308 H LEU 43 H LEU 43 6.279 -2.307 9.491 309 HA LEU 43 HA LEU 43 4.160 -0.619 10.629 310 HB2 LEU 43 HB2 LEU 43 3.998 -2.053 7.970 311 HB3 LEU 43 HB3 LEU 43 2.603 -1.415 8.829 312 HG LEU 43 HG LEU 43 4.131 0.818 8.845 313 HD11 LEU 43 HD11 LEU 43 4.873 -0.395 6.177 314 HD12 LEU 43 HD12 LEU 43 5.943 -0.502 7.570 315 HD13 LEU 43 HD13 LEU 43 5.497 1.074 6.926 316 HD21 LEU 43 HD21 LEU 43 1.810 0.377 7.820 317 HD22 LEU 43 HD22 LEU 43 2.663 0.061 6.308 318 HD23 LEU 43 HD23 LEU 43 2.780 1.646 7.072 319 H ALA 44 H ALA 44 2.481 -1.787 11.619 320 HA ALA 44 HA ALA 44 2.671 -4.711 11.687 321 HB1 ALA 44 HB1 ALA 44 2.583 -3.273 14.319 322 HB2 ALA 44 HB2 ALA 44 4.135 -3.489 13.509 323 HB3 ALA 44 HB3 ALA 44 3.168 -4.897 13.952 324 H ASP 45 H ASP 45 0.910 -4.739 14.144 325 HA ASP 45 HA ASP 45 -1.614 -4.369 12.764 326 HB2 ASP 45 HB2 ASP 45 -1.170 -6.388 14.119 327 HB3 ASP 45 HB3 ASP 45 -1.001 -5.383 15.550 328 H GLY 46 H GLY 46 -2.486 -2.387 12.740 329 HA2 GLY 46 HA2 GLY 46 -3.787 -0.754 13.950 330 HA3 GLY 46 HA3 GLY 46 -2.642 -0.883 15.276 331 H GLN 47 H GLN 47 -0.908 -0.824 12.402 332 HA GLN 47 HA GLN 47 0.280 1.681 12.890 333 HB2 GLN 47 HB2 GLN 47 1.296 -0.216 11.596 334 HB3 GLN 47 HB3 GLN 47 0.201 0.166 10.267 335 HG2 GLN 47 HG2 GLN 47 2.366 1.223 9.872 336 HG3 GLN 47 HG3 GLN 47 1.151 2.457 10.175 337 HE21 GLN 47 HE21 GLN 47 2.034 4.084 11.456 338 HE22 GLN 47 HE22 GLN 47 3.100 3.831 12.753 339 H THR 48 H THR 48 -0.307 3.691 12.373 340 HA THR 48 HA THR 48 -2.801 4.143 10.926 341 HB THR 48 HB THR 48 -0.921 6.114 12.267 342 HG1 THR 48 HG1 THR 48 -1.827 4.640 13.721 343 HG21 THR 48 HG21 THR 48 -3.005 7.546 12.282 344 HG22 THR 48 HG22 THR 48 -3.751 6.363 11.209 345 HG23 THR 48 HG23 THR 48 -2.333 7.264 10.676 346 H VAL 49 H VAL 49 -2.925 4.692 8.831 347 HA VAL 49 HA VAL 49 -0.604 5.969 7.548 348 HB VAL 49 HB VAL 49 -0.767 4.450 5.602 349 HG11 VAL 49 HG11 VAL 49 0.805 4.071 7.561 350 HG12 VAL 49 HG12 VAL 49 0.434 2.633 6.609 351 HG13 VAL 49 HG13 VAL 49 -0.357 2.890 8.163 352 HG21 VAL 49 HG21 VAL 49 -3.129 3.736 5.965 353 HG22 VAL 49 HG22 VAL 49 -2.615 2.834 7.391 354 HG23 VAL 49 HG23 VAL 49 -2.039 2.360 5.793 355 H GLU 50 H GLU 50 -1.075 6.791 5.383 356 HA GLU 50 HA GLU 50 -3.876 7.737 5.137 357 HB2 GLU 50 HB2 GLU 50 -1.325 9.068 4.143 358 HB3 GLU 50 HB3 GLU 50 -2.960 9.710 3.987 359 HG2 GLU 50 HG2 GLU 50 -3.144 9.800 6.461 360 HG3 GLU 50 HG3 GLU 50 -1.497 9.195 6.596 361 H TYR 51 H TYR 51 -4.902 7.023 3.299 362 HA TYR 51 HA TYR 51 -3.276 6.301 0.964 363 HB2 TYR 51 HB2 TYR 51 -4.352 4.102 0.752 364 HB3 TYR 51 HB3 TYR 51 -3.442 4.230 2.251 365 HD1 TYR 51 HD1 TYR 51 -6.806 4.087 0.755 366 HD2 TYR 51 HD2 TYR 51 -4.577 4.347 4.419 367 HE1 TYR 51 HE1 TYR 51 -8.854 3.546 2.043 368 HE2 TYR 51 HE2 TYR 51 -6.626 3.804 5.704 369 HH TYR 51 HH TYR 51 -9.194 4.073 5.265 370 H GLU 52 H GLU 52 -4.525 5.763 -0.939 371 HA GLU 52 HA GLU 52 -7.091 7.233 -1.060 372 HB2 GLU 52 HB2 GLU 52 -5.147 8.280 -2.305 373 HB3 GLU 52 HB3 GLU 52 -5.133 6.848 -3.336 374 HG2 GLU 52 HG2 GLU 52 -6.458 8.562 -4.429 375 HG3 GLU 52 HG3 GLU 52 -7.540 7.285 -3.882 376 H VAL 53 H VAL 53 -8.806 6.106 -1.761 377 HA VAL 53 HA VAL 53 -8.536 3.275 -2.263 378 HB VAL 53 HB VAL 53 -10.386 4.192 -0.915 379 HG11 VAL 53 HG11 VAL 53 -11.599 5.258 -3.467 380 HG12 VAL 53 HG12 VAL 53 -10.623 6.275 -2.406 381 HG13 VAL 53 HG13 VAL 53 -12.110 5.547 -1.804 382 HG21 VAL 53 HG21 VAL 53 -11.329 2.880 -3.483 383 HG22 VAL 53 HG22 VAL 53 -12.192 2.884 -1.945 384 HG23 VAL 53 HG23 VAL 53 -10.655 2.028 -2.093 385 H GLY 54 H GLY 54 -8.000 2.478 -4.136 386 HA2 GLY 54 HA2 GLY 54 -8.814 3.828 -6.633 387 HA3 GLY 54 HA3 GLY 54 -7.407 2.771 -6.471 388 H GLN 55 H GLN 55 -8.611 1.742 -8.396 389 HA GLN 55 HA GLN 55 -10.543 -0.239 -7.347 390 HB2 GLN 55 HB2 GLN 55 -11.566 -0.298 -9.592 391 HB3 GLN 55 HB3 GLN 55 -11.665 1.307 -8.871 392 HG2 GLN 55 HG2 GLN 55 -9.268 0.757 -10.577 393 HG3 GLN 55 HG3 GLN 55 -10.817 0.891 -11.403 394 HE21 GLN 55 HE21 GLN 55 -10.404 2.968 -12.359 395 HE22 GLN 55 HE22 GLN 55 -10.247 4.379 -11.431 396 H GLY 56 H GLY 56 -10.543 -2.317 -8.366 397 HA2 GLY 56 HA2 GLY 56 -8.302 -3.107 -10.029 398 HA3 GLY 56 HA3 GLY 56 -8.258 -3.738 -8.383 399 H GLN 57 H GLN 57 -8.383 -5.540 -10.394 400 HA GLN 57 HA GLN 57 -10.954 -6.276 -11.292 401 HB2 GLN 57 HB2 GLN 57 -8.425 -7.879 -10.890 402 HB3 GLN 57 HB3 GLN 57 -9.878 -8.528 -11.654 403 HG2 GLN 57 HG2 GLN 57 -9.800 -6.744 -13.344 404 HG3 GLN 57 HG3 GLN 57 -8.364 -6.069 -12.574 405 HE21 GLN 57 HE21 GLN 57 -6.767 -6.508 -14.153 406 HE22 GLN 57 HE22 GLN 57 -6.413 -8.066 -14.726 407 H LYS 58 H LYS 58 -9.091 -7.237 -8.426 408 HA LYS 58 HA LYS 58 -11.162 -9.047 -7.503 409 HB2 LYS 58 HB2 LYS 58 -8.604 -8.060 -6.229 410 HB3 LYS 58 HB3 LYS 58 -9.691 -9.232 -5.482 411 HG2 LYS 58 HG2 LYS 58 -9.428 -10.725 -7.430 412 HG3 LYS 58 HG3 LYS 58 -8.335 -9.559 -8.177 413 HD2 LYS 58 HD2 LYS 58 -6.785 -9.783 -6.270 414 HD3 LYS 58 HD3 LYS 58 -7.876 -10.950 -5.521 415 HE2 LYS 58 HE2 LYS 58 -7.617 -12.449 -7.462 416 HE3 LYS 58 HE3 LYS 58 -6.534 -11.282 -8.221 417 HZ1 LYS 58 HZ1 LYS 58 -4.926 -11.603 -6.571 418 HZ2 LYS 58 HZ2 LYS 58 -5.471 -13.169 -6.942 419 HZ3 LYS 58 HZ3 LYS 58 -6.008 -12.391 -5.530 420 H GLY 59 H GLY 59 -10.395 -5.693 -7.120 421 HA2 GLY 59 HA2 GLY 59 -12.646 -4.668 -6.156 422 HA3 GLY 59 HA3 GLY 59 -11.998 -5.393 -4.687 423 HA PRO 60 HA PRO 60 -10.300 -0.984 -5.400 424 HB2 PRO 60 HB2 PRO 60 -11.168 -0.699 -2.569 425 HB3 PRO 60 HB3 PRO 60 -11.323 0.443 -3.915 426 HG2 PRO 60 HG2 PRO 60 -13.425 -0.871 -3.024 427 HG3 PRO 60 HG3 PRO 60 -13.180 -0.605 -4.761 428 HD2 PRO 60 HD2 PRO 60 -12.698 -3.108 -3.155 429 HD3 PRO 60 HD3 PRO 60 -13.419 -2.937 -4.772 430 H CYS 61 H CYS 61 -8.364 -0.209 -4.680 431 HA CYS 61 HA CYS 61 -6.913 -1.809 -2.646 432 HB2 CYS 61 HB2 CYS 61 -5.811 -0.683 -5.234 433 HB3 CYS 61 HB3 CYS 61 -4.869 -1.511 -3.994 434 HG CYS 61 HG CYS 61 -6.527 -3.626 -4.475 435 H ALA 62 H ALA 62 -4.962 -0.567 -1.779 436 HA ALA 62 HA ALA 62 -5.630 2.317 -1.577 437 HB1 ALA 62 HB1 ALA 62 -5.934 1.799 0.613 438 HB2 ALA 62 HB2 ALA 62 -4.171 1.804 0.680 439 HB3 ALA 62 HB3 ALA 62 -5.043 0.285 0.481 440 H ASN 63 H ASN 63 -4.091 3.674 -2.301 441 HA ASN 63 HA ASN 63 -1.309 2.667 -2.482 442 HB2 ASN 63 HB2 ASN 63 -1.084 4.014 -4.558 443 HB3 ASN 63 HB3 ASN 63 -2.264 2.714 -4.718 444 HD21 ASN 63 HD21 ASN 63 -3.857 3.575 -6.085 445 HD22 ASN 63 HD22 ASN 63 -4.627 5.065 -5.835 446 H LYS 64 H LYS 64 0.179 4.702 -2.974 447 HA LYS 64 HA LYS 64 1.185 6.542 -2.028 448 HB2 LYS 64 HB2 LYS 64 -1.700 7.474 -1.960 449 HB3 LYS 64 HB3 LYS 64 -0.306 8.514 -1.667 450 HG2 LYS 64 HG2 LYS 64 0.558 8.046 -3.911 451 HG3 LYS 64 HG3 LYS 64 -0.764 6.916 -4.208 452 HD2 LYS 64 HD2 LYS 64 -1.396 8.966 -5.273 453 HD3 LYS 64 HD3 LYS 64 -2.359 8.864 -3.801 454 HE2 LYS 64 HE2 LYS 64 -0.800 10.365 -2.645 455 HE3 LYS 64 HE3 LYS 64 0.231 10.424 -4.075 456 HZ1 LYS 64 HZ1 LYS 64 -1.377 11.581 -5.276 457 HZ2 LYS 64 HZ2 LYS 64 -1.415 12.310 -3.741 458 HZ3 LYS 64 HZ3 LYS 64 -2.618 11.196 -4.187 459 H VAL 65 H VAL 65 0.930 4.462 -0.321 460 HA VAL 65 HA VAL 65 -0.385 5.155 2.125 461 HB VAL 65 HB VAL 65 1.731 3.056 1.582 462 HG11 VAL 65 HG11 VAL 65 0.918 2.008 3.653 463 HG12 VAL 65 HG12 VAL 65 -0.220 3.334 3.892 464 HG13 VAL 65 HG13 VAL 65 1.516 3.632 3.987 465 HG21 VAL 65 HG21 VAL 65 -1.258 2.672 1.857 466 HG22 VAL 65 HG22 VAL 65 -0.064 1.522 1.258 467 HG23 VAL 65 HG23 VAL 65 -0.482 2.936 0.295 468 H VAL 66 H VAL 66 0.256 6.533 3.554 469 HA VAL 66 HA VAL 66 3.144 7.151 3.857 470 HB VAL 66 HB VAL 66 0.793 9.050 4.204 471 HG11 VAL 66 HG11 VAL 66 2.593 10.773 4.452 472 HG12 VAL 66 HG12 VAL 66 3.786 9.474 4.477 473 HG13 VAL 66 HG13 VAL 66 2.590 9.595 5.765 474 HG21 VAL 66 HG21 VAL 66 1.364 8.491 1.832 475 HG22 VAL 66 HG22 VAL 66 3.013 9.039 2.133 476 HG23 VAL 66 HG23 VAL 66 1.673 10.182 2.226 477 H ALA 67 H ALA 67 3.920 6.556 5.781 478 HA ALA 67 HA ALA 67 2.225 5.600 7.877 479 HB1 ALA 67 HB1 ALA 67 4.394 5.402 9.137 480 HB2 ALA 67 HB2 ALA 67 5.199 6.129 7.747 481 HB3 ALA 67 HB3 ALA 67 4.379 4.577 7.580 482 H VAL 68 H VAL 68 1.580 6.542 9.726 483 HA VAL 68 HA VAL 68 1.056 8.194 11.233 484 HB VAL 68 HB VAL 68 3.818 9.269 10.567 485 HG11 VAL 68 HG11 VAL 68 3.689 10.205 12.862 486 HG12 VAL 68 HG12 VAL 68 2.039 9.600 13.004 487 HG13 VAL 68 HG13 VAL 68 2.419 10.854 11.824 488 HG21 VAL 68 HG21 VAL 68 3.981 6.929 11.256 489 HG22 VAL 68 HG22 VAL 68 2.915 7.230 12.629 490 HG23 VAL 68 HG23 VAL 68 4.520 7.958 12.584 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -6.274 13.360 0.274 2 H2 MET 1 HT2 MET 1 -7.612 13.116 1.291 3 H3 MET 1 HT3 MET 1 -6.938 11.810 0.440 4 HA MET 1 HA MET 1 -4.870 12.053 1.698 5 HB2 MET 1 HB2 MET 1 -6.495 14.126 3.211 6 HB3 MET 1 HB3 MET 1 -4.905 13.536 3.689 7 HG2 MET 1 HG2 MET 1 -5.521 14.954 1.077 8 HG3 MET 1 HG3 MET 1 -4.767 15.704 2.481 9 HE1 MET 1 HE1 MET 1 -2.732 13.483 3.613 10 HE2 MET 1 HE2 MET 1 -2.693 15.237 3.458 11 HE3 MET 1 HE3 MET 1 -1.359 14.276 2.826 12 H SER 2 H SER 2 -7.058 10.323 1.407 13 HA SER 2 HA SER 2 -8.404 9.698 3.813 14 HB2 SER 2 HB2 SER 2 -9.194 8.837 1.686 15 HB3 SER 2 HB3 SER 2 -7.693 7.953 1.445 16 HG SER 2 HG SER 2 -9.834 7.452 3.167 17 H LYS 3 H LYS 3 -7.949 8.309 5.459 18 HA LYS 3 HA LYS 3 -5.562 6.661 5.472 19 HB2 LYS 3 HB2 LYS 3 -4.530 7.752 7.415 20 HB3 LYS 3 HB3 LYS 3 -4.620 8.857 6.046 21 HG2 LYS 3 HG2 LYS 3 -6.655 9.885 7.007 22 HG3 LYS 3 HG3 LYS 3 -6.551 8.785 8.385 23 HD2 LYS 3 HD2 LYS 3 -4.338 9.708 8.964 24 HD3 LYS 3 HD3 LYS 3 -4.437 10.809 7.588 25 HE2 LYS 3 HE2 LYS 3 -6.458 11.843 8.552 26 HE3 LYS 3 HE3 LYS 3 -6.369 10.741 9.926 27 HZ1 LYS 3 HZ1 LYS 3 -4.251 11.660 10.529 28 HZ2 LYS 3 HZ2 LYS 3 -5.378 12.924 10.387 29 HZ3 LYS 3 HZ3 LYS 3 -4.236 12.656 9.156 30 H GLY 4 H GLY 4 -5.599 5.089 7.076 31 HA2 GLY 4 HA2 GLY 4 -7.809 5.122 9.012 32 HA3 GLY 4 HA3 GLY 4 -7.739 3.796 7.856 33 H ILE 5 H ILE 5 -7.575 2.437 9.777 34 HA ILE 5 HA ILE 5 -4.817 2.362 10.856 35 HB ILE 5 HB ILE 5 -5.838 1.096 12.796 36 HG12 ILE 5 HG12 ILE 5 -8.460 2.306 11.870 37 HG13 ILE 5 HG13 ILE 5 -8.021 0.649 11.467 38 HG21 ILE 5 HG21 ILE 5 -6.535 3.128 13.934 39 HG22 ILE 5 HG22 ILE 5 -6.854 3.925 12.394 40 HG23 ILE 5 HG23 ILE 5 -5.200 3.515 12.847 41 HD11 ILE 5 HD11 ILE 5 -9.331 0.559 13.487 42 HD12 ILE 5 HD12 ILE 5 -8.372 1.838 14.231 43 HD13 ILE 5 HD13 ILE 5 -7.657 0.250 13.948 44 H VAL 6 H VAL 6 -3.645 0.648 10.445 45 HA VAL 6 HA VAL 6 -4.558 -1.333 8.639 46 HB VAL 6 HB VAL 6 -2.024 -1.257 10.301 47 HG11 VAL 6 HG11 VAL 6 -1.206 -2.716 8.322 48 HG12 VAL 6 HG12 VAL 6 -2.915 -2.991 7.990 49 HG13 VAL 6 HG13 VAL 6 -2.224 -3.493 9.532 50 HG21 VAL 6 HG21 VAL 6 -2.521 0.673 8.668 51 HG22 VAL 6 HG22 VAL 6 -2.365 -0.523 7.381 52 HG23 VAL 6 HG23 VAL 6 -0.994 -0.180 8.438 53 H LYS 7 H LYS 7 -5.647 -3.102 9.017 54 HA LYS 7 HA LYS 7 -6.379 -4.000 11.620 55 HB2 LYS 7 HB2 LYS 7 -7.770 -4.389 9.585 56 HB3 LYS 7 HB3 LYS 7 -6.537 -5.498 8.983 57 HG2 LYS 7 HG2 LYS 7 -6.854 -6.944 10.949 58 HG3 LYS 7 HG3 LYS 7 -8.061 -5.825 11.589 59 HD2 LYS 7 HD2 LYS 7 -9.488 -6.209 9.628 60 HD3 LYS 7 HD3 LYS 7 -8.274 -7.289 8.941 61 HE2 LYS 7 HE2 LYS 7 -10.018 -8.608 10.040 62 HE3 LYS 7 HE3 LYS 7 -8.504 -8.769 10.928 63 HZ1 LYS 7 HZ1 LYS 7 -10.381 -8.370 12.406 64 HZ2 LYS 7 HZ2 LYS 7 -10.713 -6.903 11.614 65 HZ3 LYS 7 HZ3 LYS 7 -9.264 -7.095 12.482 66 H TRP 8 H TRP 8 -4.081 -5.139 9.169 67 HA TRP 8 HA TRP 8 -2.287 -6.191 11.152 68 HB2 TRP 8 HB2 TRP 8 -4.168 -7.959 10.809 69 HB3 TRP 8 HB3 TRP 8 -3.415 -8.235 9.241 70 HD1 TRP 8 HD1 TRP 8 -0.790 -8.998 9.287 71 HE1 TRP 8 HE1 TRP 8 0.478 -10.420 11.023 72 HE3 TRP 8 HE3 TRP 8 -3.985 -8.605 13.248 73 HZ2 TRP 8 HZ2 TRP 8 0.173 -11.284 13.733 74 HZ3 TRP 8 HZ3 TRP 8 -3.476 -9.738 15.391 75 HH2 TRP 8 HH2 TRP 8 -1.403 -11.078 15.639 76 H PHE 9 H PHE 9 -0.268 -5.957 10.351 77 HA PHE 9 HA PHE 9 0.031 -5.777 7.396 78 HB2 PHE 9 HB2 PHE 9 0.580 -3.698 8.732 79 HB3 PHE 9 HB3 PHE 9 1.910 -4.604 9.455 80 HD1 PHE 9 HD1 PHE 9 0.558 -3.226 6.296 81 HD2 PHE 9 HD2 PHE 9 3.898 -5.153 8.190 82 HE1 PHE 9 HE1 PHE 9 1.957 -2.755 4.305 83 HE2 PHE 9 HE2 PHE 9 5.296 -4.680 6.196 84 HZ PHE 9 HZ PHE 9 4.327 -3.483 4.256 85 H ASN 10 H ASN 10 1.117 -7.383 6.438 86 HA ASN 10 HA ASN 10 3.072 -8.926 8.050 87 HB2 ASN 10 HB2 ASN 10 1.207 -9.956 5.900 88 HB3 ASN 10 HB3 ASN 10 2.457 -10.906 6.700 89 HD21 ASN 10 HD21 ASN 10 -0.748 -10.700 6.769 90 HD22 ASN 10 HD22 ASN 10 -1.058 -10.868 8.430 91 H SER 11 H SER 11 4.876 -7.768 7.335 92 HA SER 11 HA SER 11 5.431 -7.088 4.665 93 HB2 SER 11 HB2 SER 11 7.724 -6.746 5.445 94 HB3 SER 11 HB3 SER 11 6.577 -6.089 6.607 95 HG SER 11 HG SER 11 7.824 -8.642 6.729 96 H ASP 12 H ASP 12 6.038 -10.039 6.516 97 HA ASP 12 HA ASP 12 7.885 -11.275 4.782 98 HB2 ASP 12 HB2 ASP 12 5.769 -12.439 6.609 99 HB3 ASP 12 HB3 ASP 12 6.930 -13.431 5.732 100 H LYS 13 H LYS 13 4.344 -11.263 4.833 101 HA LYS 13 HA LYS 13 4.045 -12.896 2.484 102 HB2 LYS 13 HB2 LYS 13 2.131 -11.092 3.983 103 HB3 LYS 13 HB3 LYS 13 1.667 -12.090 2.608 104 HG2 LYS 13 HG2 LYS 13 2.411 -14.110 3.809 105 HG3 LYS 13 HG3 LYS 13 2.880 -13.115 5.191 106 HD2 LYS 13 HD2 LYS 13 0.546 -12.356 5.443 107 HD3 LYS 13 HD3 LYS 13 0.072 -13.349 4.061 108 HE2 LYS 13 HE2 LYS 13 0.808 -15.374 5.259 109 HE3 LYS 13 HE3 LYS 13 1.292 -14.388 6.640 110 HZ1 LYS 13 HZ1 LYS 13 -0.892 -15.315 6.994 111 HZ2 LYS 13 HZ2 LYS 13 -1.456 -14.640 5.539 112 HZ3 LYS 13 HZ3 LYS 13 -1.009 -13.630 6.830 113 H GLY 14 H GLY 14 4.423 -9.508 3.191 114 HA2 GLY 14 HA2 GLY 14 5.192 -7.869 1.673 115 HA3 GLY 14 HA3 GLY 14 4.657 -8.883 0.340 116 H PHE 15 H PHE 15 2.236 -8.714 2.708 117 HA PHE 15 HA PHE 15 1.058 -6.220 1.844 118 HB2 PHE 15 HB2 PHE 15 -0.987 -7.225 0.894 119 HB3 PHE 15 HB3 PHE 15 0.446 -7.603 -0.059 120 HD1 PHE 15 HD1 PHE 15 -2.061 -8.946 2.303 121 HD2 PHE 15 HD2 PHE 15 1.306 -9.864 -0.202 122 HE1 PHE 15 HE1 PHE 15 -2.553 -11.366 2.531 123 HE2 PHE 15 HE2 PHE 15 0.816 -12.284 0.030 124 HZ PHE 15 HZ PHE 15 -1.112 -13.035 1.395 125 H GLY 16 H GLY 16 -1.262 -6.059 2.711 126 HA2 GLY 16 HA2 GLY 16 -1.889 -7.608 5.061 127 HA3 GLY 16 HA3 GLY 16 -1.312 -5.984 5.429 128 H PHE 17 H PHE 17 -3.744 -6.389 6.290 129 HA PHE 17 HA PHE 17 -5.571 -5.226 4.266 130 HB2 PHE 17 HB2 PHE 17 -6.202 -6.959 6.671 131 HB3 PHE 17 HB3 PHE 17 -7.410 -6.186 5.647 132 HD1 PHE 17 HD1 PHE 17 -4.877 -8.840 5.865 133 HD2 PHE 17 HD2 PHE 17 -7.769 -6.922 3.336 134 HE1 PHE 17 HE1 PHE 17 -4.748 -10.740 4.276 135 HE2 PHE 17 HE2 PHE 17 -7.642 -8.822 1.748 136 HZ PHE 17 HZ PHE 17 -6.130 -10.731 2.218 137 H ILE 18 H ILE 18 -6.516 -3.294 4.740 138 HA ILE 18 HA ILE 18 -5.929 -2.161 7.398 139 HB ILE 18 HB ILE 18 -4.756 -1.010 5.584 140 HG12 ILE 18 HG12 ILE 18 -7.005 0.791 6.509 141 HG13 ILE 18 HG13 ILE 18 -5.761 0.212 7.620 142 HG21 ILE 18 HG21 ILE 18 -7.555 -0.736 4.469 143 HG22 ILE 18 HG22 ILE 18 -6.117 -1.374 3.672 144 HG23 ILE 18 HG23 ILE 18 -6.254 0.356 3.986 145 HD11 ILE 18 HD11 ILE 18 -4.017 1.235 6.295 146 HD12 ILE 18 HD12 ILE 18 -5.248 2.458 6.604 147 HD13 ILE 18 HD13 ILE 18 -5.165 1.668 5.031 148 H THR 19 H THR 19 -7.447 -1.011 8.502 149 HA THR 19 HA THR 19 -10.226 -1.559 7.739 150 HB THR 19 HB THR 19 -9.075 -0.775 10.422 151 HG1 THR 19 HG1 THR 19 -8.692 -2.811 10.656 152 HG21 THR 19 HG21 THR 19 -11.322 -1.720 11.193 153 HG22 THR 19 HG22 THR 19 -11.826 -1.645 9.505 154 HG23 THR 19 HG23 THR 19 -11.389 -0.166 10.362 155 HA PRO 20 HA PRO 20 -10.152 2.928 6.622 156 HB2 PRO 20 HB2 PRO 20 -13.056 2.229 6.342 157 HB3 PRO 20 HB3 PRO 20 -12.033 3.200 5.268 158 HG2 PRO 20 HG2 PRO 20 -12.640 0.747 4.597 159 HG3 PRO 20 HG3 PRO 20 -10.977 1.328 4.382 160 HD2 PRO 20 HD2 PRO 20 -12.073 -0.492 6.501 161 HD3 PRO 20 HD3 PRO 20 -10.501 -0.544 5.670 162 H GLU 21 H GLU 21 -10.361 4.584 8.018 163 HA GLU 21 HA GLU 21 -11.437 4.263 10.620 164 HB2 GLU 21 HB2 GLU 21 -10.988 6.675 10.880 165 HB3 GLU 21 HB3 GLU 21 -9.616 5.832 10.164 166 HG2 GLU 21 HG2 GLU 21 -9.800 7.725 8.796 167 HG3 GLU 21 HG3 GLU 21 -10.704 6.524 7.881 168 H ASP 22 H ASP 22 -12.880 5.214 7.613 169 HA ASP 22 HA ASP 22 -15.140 6.577 8.811 170 HB2 ASP 22 HB2 ASP 22 -15.970 6.769 6.532 171 HB3 ASP 22 HB3 ASP 22 -14.274 7.230 6.600 172 H GLY 23 H GLY 23 -14.337 3.336 8.582 173 HA2 GLY 23 HA2 GLY 23 -15.691 1.566 9.352 174 HA3 GLY 23 HA3 GLY 23 -17.119 2.539 9.027 175 H SER 24 H SER 24 -14.970 2.647 6.421 176 HA SER 24 HA SER 24 -16.735 1.161 4.723 177 HB2 SER 24 HB2 SER 24 -14.052 2.455 4.237 178 HB3 SER 24 HB3 SER 24 -15.006 1.682 2.990 179 HG SER 24 HG SER 24 -15.605 3.786 2.952 180 H LYS 25 H LYS 25 -15.866 -0.537 3.242 181 HA LYS 25 HA LYS 25 -14.962 -2.771 4.711 182 HB2 LYS 25 HB2 LYS 25 -15.018 -2.343 1.711 183 HB3 LYS 25 HB3 LYS 25 -14.808 -3.897 2.513 184 HG2 LYS 25 HG2 LYS 25 -17.221 -2.120 2.965 185 HG3 LYS 25 HG3 LYS 25 -17.178 -3.389 1.744 186 HD2 LYS 25 HD2 LYS 25 -16.678 -5.055 3.522 187 HD3 LYS 25 HD3 LYS 25 -16.797 -3.776 4.731 188 HE2 LYS 25 HE2 LYS 25 -18.922 -4.968 4.615 189 HE3 LYS 25 HE3 LYS 25 -19.137 -3.336 3.985 190 HZ1 LYS 25 HZ1 LYS 25 -19.340 -4.081 1.854 191 HZ2 LYS 25 HZ2 LYS 25 -20.009 -5.408 2.678 192 HZ3 LYS 25 HZ3 LYS 25 -18.407 -5.473 2.117 193 H ASP 26 H ASP 26 -12.997 -3.920 4.629 194 HA ASP 26 HA ASP 26 -10.672 -2.382 4.775 195 HB2 ASP 26 HB2 ASP 26 -9.477 -4.502 4.920 196 HB3 ASP 26 HB3 ASP 26 -10.947 -4.560 5.884 197 H LEU 27 H LEU 27 -8.780 -2.392 3.498 198 HA LEU 27 HA LEU 27 -9.218 -2.941 0.622 199 HB2 LEU 27 HB2 LEU 27 -7.790 -0.568 1.861 200 HB3 LEU 27 HB3 LEU 27 -7.866 -0.919 0.137 201 HG LEU 27 HG LEU 27 -10.329 -0.514 1.862 202 HD11 LEU 27 HD11 LEU 27 -9.008 1.552 1.821 203 HD12 LEU 27 HD12 LEU 27 -10.434 1.734 0.800 204 HD13 LEU 27 HD13 LEU 27 -8.858 1.442 0.068 205 HD21 LEU 27 HD21 LEU 27 -10.793 -1.756 -0.176 206 HD22 LEU 27 HD22 LEU 27 -9.841 -0.621 -1.135 207 HD23 LEU 27 HD23 LEU 27 -11.364 -0.103 -0.408 208 H PHE 28 H PHE 28 -7.382 -3.553 -0.579 209 HA PHE 28 HA PHE 28 -5.400 -5.036 0.916 210 HB2 PHE 28 HB2 PHE 28 -5.815 -4.545 -2.042 211 HB3 PHE 28 HB3 PHE 28 -4.498 -5.529 -1.399 212 HD1 PHE 28 HD1 PHE 28 -8.159 -5.264 -1.814 213 HD2 PHE 28 HD2 PHE 28 -4.918 -7.698 -0.394 214 HE1 PHE 28 HE1 PHE 28 -9.691 -7.206 -1.649 215 HE2 PHE 28 HE2 PHE 28 -6.450 -9.642 -0.228 216 HZ PHE 28 HZ PHE 28 -8.837 -9.396 -0.855 217 H VAL 29 H VAL 29 -3.363 -4.410 1.402 218 HA VAL 29 HA VAL 29 -2.276 -1.987 0.111 219 HB VAL 29 HB VAL 29 -2.282 -2.567 3.085 220 HG11 VAL 29 HG11 VAL 29 -0.970 -0.404 1.431 221 HG12 VAL 29 HG12 VAL 29 -0.202 -1.489 2.589 222 HG13 VAL 29 HG13 VAL 29 -1.275 -0.209 3.158 223 HG21 VAL 29 HG21 VAL 29 -3.766 -0.717 3.305 224 HG22 VAL 29 HG22 VAL 29 -4.417 -1.676 1.976 225 HG23 VAL 29 HG23 VAL 29 -3.498 -0.210 1.638 226 H HIS 30 H HIS 30 -0.166 -2.116 -0.449 227 HA HIS 30 HA HIS 30 1.300 -4.567 0.323 228 HB2 HIS 30 HB2 HIS 30 1.463 -2.859 -2.168 229 HB3 HIS 30 HB3 HIS 30 2.600 -4.158 -1.790 230 HD2 HIS 30 HD2 HIS 30 -1.023 -3.732 -3.153 231 HE1 HIS 30 HE1 HIS 30 -0.332 -7.871 -2.704 232 HE2 HIS 30 HE2 HIS 30 -1.922 -6.132 -3.647 233 H HIS 31 H HIS 31 3.461 -4.448 0.843 234 HA HIS 31 HA HIS 31 4.292 -2.213 2.380 235 HB2 HIS 31 HB2 HIS 31 5.026 -4.566 2.776 236 HB3 HIS 31 HB3 HIS 31 6.010 -4.470 1.317 237 HD2 HIS 31 HD2 HIS 31 6.138 -3.262 5.035 238 HE1 HIS 31 HE1 HIS 31 9.595 -1.805 3.102 239 HE2 HIS 31 HE2 HIS 31 8.445 -2.085 5.348 240 H SER 32 H SER 32 5.311 -3.384 -0.813 241 HA SER 32 HA SER 32 7.359 -1.521 -1.277 242 HB2 SER 32 HB2 SER 32 5.615 -3.047 -3.209 243 HB3 SER 32 HB3 SER 32 7.038 -2.121 -3.683 244 HG SER 32 HG SER 32 6.856 -4.401 -2.019 245 H GLU 33 H GLU 33 3.913 -1.101 -1.525 246 HA GLU 33 HA GLU 33 3.929 1.050 -3.395 247 HB2 GLU 33 HB2 GLU 33 1.889 0.117 -1.382 248 HB3 GLU 33 HB3 GLU 33 1.604 1.470 -2.477 249 HG2 GLU 33 HG2 GLU 33 2.036 0.006 -4.411 250 HG3 GLU 33 HG3 GLU 33 2.338 -1.348 -3.326 251 H ILE 34 H ILE 34 4.780 0.981 -0.057 252 HA ILE 34 HA ILE 34 3.921 3.437 0.900 253 HB ILE 34 HB ILE 34 5.825 3.421 2.427 254 HG12 ILE 34 HG12 ILE 34 6.936 1.091 0.816 255 HG13 ILE 34 HG13 ILE 34 7.520 2.738 0.653 256 HG21 ILE 34 HG21 ILE 34 4.453 0.797 1.846 257 HG22 ILE 34 HG22 ILE 34 4.141 1.945 3.146 258 HG23 ILE 34 HG23 ILE 34 5.590 0.942 3.186 259 HD11 ILE 34 HD11 ILE 34 8.226 2.793 2.966 260 HD12 ILE 34 HD12 ILE 34 8.884 1.330 2.233 261 HD13 ILE 34 HD13 ILE 34 7.469 1.231 3.281 262 H GLN 35 H GLN 35 5.293 5.398 1.312 263 HA GLN 35 HA GLN 35 6.232 6.461 -1.219 264 HB2 GLN 35 HB2 GLN 35 5.894 7.660 1.536 265 HB3 GLN 35 HB3 GLN 35 6.564 8.558 0.175 266 HG2 GLN 35 HG2 GLN 35 3.866 7.179 0.110 267 HG3 GLN 35 HG3 GLN 35 4.084 8.884 0.503 268 HE21 GLN 35 HE21 GLN 35 3.336 6.893 -2.058 269 HE22 GLN 35 HE22 GLN 35 3.873 7.870 -3.334 270 H SER 36 H SER 36 8.314 7.742 -1.248 271 HA SER 36 HA SER 36 10.495 6.041 -0.620 272 HB2 SER 36 HB2 SER 36 11.896 7.810 -1.476 273 HB3 SER 36 HB3 SER 36 10.447 7.737 -2.475 274 HG SER 36 HG SER 36 11.367 9.723 -0.845 275 H GLY 37 H GLY 37 12.265 6.454 0.817 276 HA2 GLY 37 HA2 GLY 37 13.268 7.136 2.793 277 HA3 GLY 37 HA3 GLY 37 12.069 8.422 2.915 278 H GLY 38 H GLY 38 12.367 7.552 5.267 279 HA2 GLY 38 HA2 GLY 38 11.328 6.590 7.086 280 HA3 GLY 38 HA3 GLY 38 9.965 6.263 6.022 281 H GLU 39 H GLU 39 13.264 5.065 5.584 282 HA GLU 39 HA GLU 39 12.480 2.413 5.067 283 HB2 GLU 39 HB2 GLU 39 15.134 3.598 5.896 284 HB3 GLU 39 HB3 GLU 39 14.931 1.901 5.458 285 HG2 GLU 39 HG2 GLU 39 14.166 2.493 3.243 286 HG3 GLU 39 HG3 GLU 39 14.111 4.199 3.664 287 H TYR 40 H TYR 40 13.582 3.992 8.040 288 HA TYR 40 HA TYR 40 13.770 1.668 9.655 289 HB2 TYR 40 HB2 TYR 40 13.203 4.545 10.392 290 HB3 TYR 40 HB3 TYR 40 13.538 3.267 11.558 291 HD1 TYR 40 HD1 TYR 40 14.959 5.427 8.950 292 HD2 TYR 40 HD2 TYR 40 15.758 2.205 11.675 293 HE1 TYR 40 HE1 TYR 40 17.393 5.733 8.596 294 HE2 TYR 40 HE2 TYR 40 18.194 2.511 11.322 295 HH TYR 40 HH TYR 40 19.486 4.195 8.804 296 H ALA 41 H ALA 41 11.122 3.880 8.907 297 HA ALA 41 HA ALA 41 9.247 3.092 10.797 298 HB1 ALA 41 HB1 ALA 41 8.512 3.731 7.945 299 HB2 ALA 41 HB2 ALA 41 9.099 4.969 9.053 300 HB3 ALA 41 HB3 ALA 41 7.613 4.094 9.418 301 H THR 42 H THR 42 7.942 1.430 11.064 302 HA THR 42 HA THR 42 7.836 -0.686 8.993 303 HB THR 42 HB THR 42 7.811 -2.360 10.799 304 HG1 THR 42 HG1 THR 42 6.997 -1.176 12.477 305 HG21 THR 42 HG21 THR 42 9.973 -1.484 9.737 306 HG22 THR 42 HG22 THR 42 10.137 -2.311 11.286 307 HG23 THR 42 HG23 THR 42 10.191 -0.549 11.216 308 H LEU 43 H LEU 43 5.946 -2.221 9.440 309 HA LEU 43 HA LEU 43 3.619 -0.773 10.538 310 HB2 LEU 43 HB2 LEU 43 3.892 -2.076 7.839 311 HB3 LEU 43 HB3 LEU 43 2.325 -1.975 8.631 312 HG LEU 43 HG LEU 43 2.734 0.524 8.864 313 HD11 LEU 43 HD11 LEU 43 4.388 1.199 6.820 314 HD12 LEU 43 HD12 LEU 43 5.190 -0.273 7.361 315 HD13 LEU 43 HD13 LEU 43 4.934 1.059 8.485 316 HD21 LEU 43 HD21 LEU 43 1.175 -0.221 7.217 317 HD22 LEU 43 HD22 LEU 43 2.458 -0.828 6.170 318 HD23 LEU 43 HD23 LEU 43 2.239 0.909 6.379 319 H ALA 44 H ALA 44 2.127 -2.052 11.589 320 HA ALA 44 HA ALA 44 2.455 -4.963 11.592 321 HB1 ALA 44 HB1 ALA 44 2.411 -3.477 14.218 322 HB2 ALA 44 HB2 ALA 44 3.929 -3.835 13.396 323 HB3 ALA 44 HB3 ALA 44 2.873 -5.152 13.911 324 H ASP 45 H ASP 45 0.724 -5.155 14.046 325 HA ASP 45 HA ASP 45 -1.827 -4.797 12.708 326 HB2 ASP 45 HB2 ASP 45 -1.332 -6.875 13.940 327 HB3 ASP 45 HB3 ASP 45 -1.137 -5.952 15.423 328 H GLY 46 H GLY 46 -2.744 -2.830 12.790 329 HA2 GLY 46 HA2 GLY 46 -4.069 -1.274 14.036 330 HA3 GLY 46 HA3 GLY 46 -3.003 -1.510 15.412 331 H GLN 47 H GLN 47 -1.074 -1.216 12.695 332 HA GLN 47 HA GLN 47 -0.062 1.331 13.457 333 HB2 GLN 47 HB2 GLN 47 1.258 -0.492 12.368 334 HB3 GLN 47 HB3 GLN 47 0.389 -0.175 10.869 335 HG2 GLN 47 HG2 GLN 47 2.550 0.988 10.868 336 HG3 GLN 47 HG3 GLN 47 1.231 2.146 10.875 337 HE21 GLN 47 HE21 GLN 47 1.792 3.869 12.217 338 HE22 GLN 47 HE22 GLN 47 2.582 3.721 13.712 339 H THR 48 H THR 48 -0.657 3.316 12.855 340 HA THR 48 HA THR 48 -2.909 3.673 11.056 341 HB THR 48 HB THR 48 -1.266 5.736 12.559 342 HG1 THR 48 HG1 THR 48 -2.346 4.169 13.871 343 HG21 THR 48 HG21 THR 48 -3.983 5.858 11.213 344 HG22 THR 48 HG22 THR 48 -2.535 6.744 10.739 345 HG23 THR 48 HG23 THR 48 -3.336 7.119 12.264 346 H VAL 49 H VAL 49 -2.802 4.249 8.976 347 HA VAL 49 HA VAL 49 -0.354 5.510 7.947 348 HB VAL 49 HB VAL 49 -0.295 3.980 6.004 349 HG11 VAL 49 HG11 VAL 49 -0.143 2.546 8.671 350 HG12 VAL 49 HG12 VAL 49 1.119 3.589 8.014 351 HG13 VAL 49 HG13 VAL 49 0.696 2.089 7.189 352 HG21 VAL 49 HG21 VAL 49 -2.587 3.193 5.947 353 HG22 VAL 49 HG22 VAL 49 -2.444 2.520 7.571 354 HG23 VAL 49 HG23 VAL 49 -1.545 1.799 6.237 355 H GLU 50 H GLU 50 -0.620 6.231 5.663 356 HA GLU 50 HA GLU 50 -3.361 7.270 5.225 357 HB2 GLU 50 HB2 GLU 50 -0.706 8.431 4.308 358 HB3 GLU 50 HB3 GLU 50 -2.296 9.126 3.998 359 HG2 GLU 50 HG2 GLU 50 -2.653 9.382 6.435 360 HG3 GLU 50 HG3 GLU 50 -1.056 8.703 6.735 361 H TYR 51 H TYR 51 -4.308 6.847 3.249 362 HA TYR 51 HA TYR 51 -2.691 5.806 1.059 363 HB2 TYR 51 HB2 TYR 51 -3.994 3.733 0.838 364 HB3 TYR 51 HB3 TYR 51 -3.145 3.787 2.376 365 HD1 TYR 51 HD1 TYR 51 -6.421 3.921 0.720 366 HD2 TYR 51 HD2 TYR 51 -4.369 4.151 4.486 367 HE1 TYR 51 HE1 TYR 51 -8.578 3.644 1.910 368 HE2 TYR 51 HE2 TYR 51 -6.526 3.872 5.678 369 HH TYR 51 HH TYR 51 -9.168 4.447 4.852 370 H GLU 52 H GLU 52 -3.927 5.414 -0.900 371 HA GLU 52 HA GLU 52 -6.385 7.050 -1.065 372 HB2 GLU 52 HB2 GLU 52 -4.075 6.857 -3.011 373 HB3 GLU 52 HB3 GLU 52 -5.642 7.553 -3.432 374 HG2 GLU 52 HG2 GLU 52 -5.412 9.191 -1.605 375 HG3 GLU 52 HG3 GLU 52 -3.856 8.491 -1.167 376 H VAL 53 H VAL 53 -8.088 6.079 -1.966 377 HA VAL 53 HA VAL 53 -8.140 3.299 -2.404 378 HB VAL 53 HB VAL 53 -10.108 4.642 -1.741 379 HG11 VAL 53 HG11 VAL 53 -9.582 6.569 -3.302 380 HG12 VAL 53 HG12 VAL 53 -11.273 6.066 -3.285 381 HG13 VAL 53 HG13 VAL 53 -10.222 5.582 -4.617 382 HG21 VAL 53 HG21 VAL 53 -10.562 3.241 -4.393 383 HG22 VAL 53 HG22 VAL 53 -11.742 3.467 -3.100 384 HG23 VAL 53 HG23 VAL 53 -10.355 2.404 -2.854 385 H GLY 54 H GLY 54 -8.430 2.090 -4.279 386 HA2 GLY 54 HA2 GLY 54 -7.938 3.314 -6.891 387 HA3 GLY 54 HA3 GLY 54 -6.756 2.133 -6.328 388 H GLN 55 H GLN 55 -8.146 1.593 -8.639 389 HA GLN 55 HA GLN 55 -10.337 -0.214 -7.897 390 HB2 GLN 55 HB2 GLN 55 -10.816 -0.333 -10.304 391 HB3 GLN 55 HB3 GLN 55 -10.780 1.337 -9.742 392 HG2 GLN 55 HG2 GLN 55 -9.520 1.453 -11.710 393 HG3 GLN 55 HG3 GLN 55 -8.264 1.261 -10.494 394 HE21 GLN 55 HE21 GLN 55 -6.772 0.168 -11.917 395 HE22 GLN 55 HE22 GLN 55 -7.072 -1.393 -12.511 396 H GLY 56 H GLY 56 -10.408 -2.375 -8.566 397 HA2 GLY 56 HA2 GLY 56 -8.123 -3.672 -9.766 398 HA3 GLY 56 HA3 GLY 56 -8.297 -4.014 -8.047 399 H GLN 57 H GLN 57 -8.498 -5.948 -10.142 400 HA GLN 57 HA GLN 57 -11.169 -6.564 -10.848 401 HB2 GLN 57 HB2 GLN 57 -8.691 -8.277 -10.620 402 HB3 GLN 57 HB3 GLN 57 -10.232 -8.882 -11.230 403 HG2 GLN 57 HG2 GLN 57 -10.226 -7.274 -13.034 404 HG3 GLN 57 HG3 GLN 57 -8.816 -6.457 -12.365 405 HE21 GLN 57 HE21 GLN 57 -9.123 -7.807 -15.043 406 HE22 GLN 57 HE22 GLN 57 -7.892 -8.975 -15.098 407 H LYS 58 H LYS 58 -9.140 -7.521 -8.117 408 HA LYS 58 HA LYS 58 -11.276 -9.144 -6.963 409 HB2 LYS 58 HB2 LYS 58 -9.620 -9.712 -5.231 410 HB3 LYS 58 HB3 LYS 58 -8.980 -9.994 -6.849 411 HG2 LYS 58 HG2 LYS 58 -7.798 -7.820 -6.757 412 HG3 LYS 58 HG3 LYS 58 -8.425 -7.551 -5.131 413 HD2 LYS 58 HD2 LYS 58 -7.280 -9.591 -4.348 414 HD3 LYS 58 HD3 LYS 58 -6.652 -9.863 -5.974 415 HE2 LYS 58 HE2 LYS 58 -5.462 -7.705 -5.880 416 HE3 LYS 58 HE3 LYS 58 -6.091 -7.427 -4.256 417 HZ1 LYS 58 HZ1 LYS 58 -4.570 -9.872 -4.903 418 HZ2 LYS 58 HZ2 LYS 58 -4.841 -9.158 -3.385 419 HZ3 LYS 58 HZ3 LYS 58 -3.772 -8.434 -4.490 420 H GLY 59 H GLY 59 -11.395 -6.121 -7.227 421 HA2 GLY 59 HA2 GLY 59 -12.881 -4.829 -5.798 422 HA3 GLY 59 HA3 GLY 59 -12.076 -5.549 -4.403 423 HA PRO 60 HA PRO 60 -10.006 -1.465 -5.701 424 HB2 PRO 60 HB2 PRO 60 -10.628 0.097 -3.560 425 HB3 PRO 60 HB3 PRO 60 -11.668 -0.030 -4.992 426 HG2 PRO 60 HG2 PRO 60 -11.901 -1.414 -2.361 427 HG3 PRO 60 HG3 PRO 60 -13.155 -0.639 -3.342 428 HD2 PRO 60 HD2 PRO 60 -12.784 -3.338 -3.337 429 HD3 PRO 60 HD3 PRO 60 -13.349 -2.461 -4.779 430 H CYS 61 H CYS 61 -8.061 -0.679 -4.895 431 HA CYS 61 HA CYS 61 -6.957 -2.088 -2.537 432 HB2 CYS 61 HB2 CYS 61 -5.530 -1.206 -5.062 433 HB3 CYS 61 HB3 CYS 61 -4.768 -1.977 -3.673 434 HG CYS 61 HG CYS 61 -6.631 -3.986 -4.235 435 H ALA 62 H ALA 62 -4.768 -0.786 -1.932 436 HA ALA 62 HA ALA 62 -5.397 2.095 -1.858 437 HB1 ALA 62 HB1 ALA 62 -5.139 0.209 0.390 438 HB2 ALA 62 HB2 ALA 62 -5.897 1.799 0.335 439 HB3 ALA 62 HB3 ALA 62 -4.155 1.663 0.557 440 H ASN 63 H ASN 63 -3.611 3.447 -1.965 441 HA ASN 63 HA ASN 63 -0.947 2.182 -2.120 442 HB2 ASN 63 HB2 ASN 63 -0.448 3.522 -4.145 443 HB3 ASN 63 HB3 ASN 63 -1.740 2.357 -4.418 444 HD21 ASN 63 HD21 ASN 63 -3.216 3.359 -5.801 445 HD22 ASN 63 HD22 ASN 63 -3.812 4.935 -5.597 446 H LYS 64 H LYS 64 0.731 4.105 -2.490 447 HA LYS 64 HA LYS 64 1.816 5.855 -1.487 448 HB2 LYS 64 HB2 LYS 64 -1.000 6.973 -1.407 449 HB3 LYS 64 HB3 LYS 64 0.457 7.905 -1.053 450 HG2 LYS 64 HG2 LYS 64 1.324 7.412 -3.311 451 HG3 LYS 64 HG3 LYS 64 -0.135 6.485 -3.668 452 HD2 LYS 64 HD2 LYS 64 -1.509 8.503 -3.313 453 HD3 LYS 64 HD3 LYS 64 -0.051 9.434 -2.960 454 HE2 LYS 64 HE2 LYS 64 0.811 8.950 -5.218 455 HE3 LYS 64 HE3 LYS 64 -0.642 8.015 -5.575 456 HZ1 LYS 64 HZ1 LYS 64 -0.748 10.847 -4.722 457 HZ2 LYS 64 HZ2 LYS 64 -1.977 9.921 -5.444 458 HZ3 LYS 64 HZ3 LYS 64 -0.623 10.397 -6.352 459 H VAL 65 H VAL 65 1.600 3.801 0.142 460 HA VAL 65 HA VAL 65 0.245 4.334 2.610 461 HB VAL 65 HB VAL 65 2.473 2.375 1.976 462 HG11 VAL 65 HG11 VAL 65 0.543 2.501 4.318 463 HG12 VAL 65 HG12 VAL 65 2.284 2.777 4.395 464 HG13 VAL 65 HG13 VAL 65 1.664 1.176 3.996 465 HG21 VAL 65 HG21 VAL 65 -0.487 1.817 2.239 466 HG22 VAL 65 HG22 VAL 65 0.766 0.758 1.595 467 HG23 VAL 65 HG23 VAL 65 0.269 2.187 0.689 468 H VAL 66 H VAL 66 0.813 5.781 4.028 469 HA VAL 66 HA VAL 66 3.686 6.388 4.459 470 HB VAL 66 HB VAL 66 1.377 8.360 4.546 471 HG11 VAL 66 HG11 VAL 66 3.030 8.993 6.193 472 HG12 VAL 66 HG12 VAL 66 3.251 10.039 4.790 473 HG13 VAL 66 HG13 VAL 66 4.347 8.685 5.061 474 HG21 VAL 66 HG21 VAL 66 3.721 8.139 2.630 475 HG22 VAL 66 HG22 VAL 66 2.467 9.380 2.594 476 HG23 VAL 66 HG23 VAL 66 2.055 7.700 2.250 477 H ALA 67 H ALA 67 4.333 5.958 6.467 478 HA ALA 67 HA ALA 67 2.508 5.111 8.502 479 HB1 ALA 67 HB1 ALA 67 5.346 5.847 9.104 480 HB2 ALA 67 HB2 ALA 67 5.022 4.459 8.064 481 HB3 ALA 67 HB3 ALA 67 4.388 4.497 9.710 482 H VAL 68 H VAL 68 1.651 6.207 10.165 483 HA VAL 68 HA VAL 68 2.396 9.059 10.476 484 HB VAL 68 HB VAL 68 -0.248 7.735 11.174 485 HG11 VAL 68 HG11 VAL 68 0.514 10.668 10.998 486 HG12 VAL 68 HG12 VAL 68 0.370 9.766 12.507 487 HG13 VAL 68 HG13 VAL 68 -1.050 10.016 11.490 488 HG21 VAL 68 HG21 VAL 68 -1.149 8.862 9.202 489 HG22 VAL 68 HG22 VAL 68 0.200 7.838 8.708 490 HG23 VAL 68 HG23 VAL 68 0.423 9.581 8.857 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -6.417 13.823 2.710 2 H2 MET 1 HT2 MET 1 -5.368 14.164 1.417 3 H3 MET 1 HT3 MET 1 -4.738 13.723 2.932 4 HA MET 1 HA MET 1 -6.078 12.040 0.916 5 HB2 MET 1 HB2 MET 1 -3.541 11.858 2.566 6 HB3 MET 1 HB3 MET 1 -4.129 10.557 1.529 7 HG2 MET 1 HG2 MET 1 -4.026 12.043 -0.425 8 HG3 MET 1 HG3 MET 1 -3.487 13.374 0.600 9 HE1 MET 1 HE1 MET 1 -1.832 13.618 -1.186 10 HE2 MET 1 HE2 MET 1 -1.751 12.097 -2.072 11 HE3 MET 1 HE3 MET 1 -0.299 12.745 -1.312 12 H SER 2 H SER 2 -6.806 9.957 1.563 13 HA SER 2 HA SER 2 -8.282 9.915 3.996 14 HB2 SER 2 HB2 SER 2 -7.636 7.694 2.045 15 HB3 SER 2 HB3 SER 2 -8.800 7.569 3.359 16 HG SER 2 HG SER 2 -8.861 9.189 1.047 17 H LYS 3 H LYS 3 -8.021 8.577 5.816 18 HA LYS 3 HA LYS 3 -5.436 7.228 6.163 19 HB2 LYS 3 HB2 LYS 3 -5.183 9.567 6.999 20 HB3 LYS 3 HB3 LYS 3 -6.492 9.267 8.140 21 HG2 LYS 3 HG2 LYS 3 -5.157 7.372 9.094 22 HG3 LYS 3 HG3 LYS 3 -3.832 7.808 8.013 23 HD2 LYS 3 HD2 LYS 3 -5.054 9.773 9.964 24 HD3 LYS 3 HD3 LYS 3 -3.683 8.749 10.383 25 HE2 LYS 3 HE2 LYS 3 -2.421 9.693 8.457 26 HE3 LYS 3 HE3 LYS 3 -3.780 10.762 8.113 27 HZ1 LYS 3 HZ1 LYS 3 -1.996 10.754 10.467 28 HZ2 LYS 3 HZ2 LYS 3 -3.521 11.502 10.516 29 HZ3 LYS 3 HZ3 LYS 3 -2.346 12.033 9.410 30 H GLY 4 H GLY 4 -5.722 5.309 7.053 31 HA2 GLY 4 HA2 GLY 4 -8.041 4.850 8.833 32 HA3 GLY 4 HA3 GLY 4 -7.636 3.716 7.546 33 H ILE 5 H ILE 5 -7.636 2.349 9.654 34 HA ILE 5 HA ILE 5 -4.881 2.363 10.755 35 HB ILE 5 HB ILE 5 -5.876 1.150 12.735 36 HG12 ILE 5 HG12 ILE 5 -8.530 2.231 11.748 37 HG13 ILE 5 HG13 ILE 5 -8.035 0.574 11.426 38 HG21 ILE 5 HG21 ILE 5 -6.812 3.243 13.726 39 HG22 ILE 5 HG22 ILE 5 -6.836 3.960 12.115 40 HG23 ILE 5 HG23 ILE 5 -5.301 3.517 12.861 41 HD11 ILE 5 HD11 ILE 5 -9.360 0.550 13.443 42 HD12 ILE 5 HD12 ILE 5 -8.425 1.875 14.134 43 HD13 ILE 5 HD13 ILE 5 -7.681 0.291 13.918 44 H VAL 6 H VAL 6 -3.670 0.658 10.413 45 HA VAL 6 HA VAL 6 -4.527 -1.389 8.658 46 HB VAL 6 HB VAL 6 -2.034 -1.253 10.375 47 HG11 VAL 6 HG11 VAL 6 -2.203 -3.507 9.659 48 HG12 VAL 6 HG12 VAL 6 -1.169 -2.757 8.444 49 HG13 VAL 6 HG13 VAL 6 -2.872 -3.050 8.094 50 HG21 VAL 6 HG21 VAL 6 -2.415 -0.531 7.451 51 HG22 VAL 6 HG22 VAL 6 -0.958 -0.305 8.419 52 HG23 VAL 6 HG23 VAL 6 -2.399 0.654 8.757 53 H LYS 7 H LYS 7 -5.591 -3.185 9.073 54 HA LYS 7 HA LYS 7 -6.397 -3.958 11.693 55 HB2 LYS 7 HB2 LYS 7 -7.689 -4.468 9.605 56 HB3 LYS 7 HB3 LYS 7 -6.436 -5.625 9.158 57 HG2 LYS 7 HG2 LYS 7 -6.854 -6.875 11.260 58 HG3 LYS 7 HG3 LYS 7 -8.133 -5.733 11.674 59 HD2 LYS 7 HD2 LYS 7 -8.140 -7.325 9.098 60 HD3 LYS 7 HD3 LYS 7 -8.901 -7.910 10.577 61 HE2 LYS 7 HE2 LYS 7 -10.285 -5.835 10.647 62 HE3 LYS 7 HE3 LYS 7 -9.573 -5.338 9.112 63 HZ1 LYS 7 HZ1 LYS 7 -11.524 -6.399 8.497 64 HZ2 LYS 7 HZ2 LYS 7 -11.364 -7.618 9.669 65 HZ3 LYS 7 HZ3 LYS 7 -10.361 -7.616 8.297 66 H TRP 8 H TRP 8 -4.038 -5.227 9.366 67 HA TRP 8 HA TRP 8 -2.289 -6.152 11.458 68 HB2 TRP 8 HB2 TRP 8 -4.144 -7.946 11.128 69 HB3 TRP 8 HB3 TRP 8 -3.334 -8.285 9.601 70 HD1 TRP 8 HD1 TRP 8 -0.955 -9.417 9.688 71 HE1 TRP 8 HE1 TRP 8 0.338 -10.615 11.571 72 HE3 TRP 8 HE3 TRP 8 -3.718 -7.953 13.724 73 HZ2 TRP 8 HZ2 TRP 8 0.213 -10.916 14.413 74 HZ3 TRP 8 HZ3 TRP 8 -3.113 -8.712 16.004 75 HH2 TRP 8 HH2 TRP 8 -1.154 -10.191 16.354 76 H PHE 9 H PHE 9 -0.280 -5.760 10.703 77 HA PHE 9 HA PHE 9 0.127 -5.763 7.758 78 HB2 PHE 9 HB2 PHE 9 0.608 -3.633 9.054 79 HB3 PHE 9 HB3 PHE 9 1.935 -4.501 9.823 80 HD1 PHE 9 HD1 PHE 9 0.678 -3.068 6.678 81 HD2 PHE 9 HD2 PHE 9 3.897 -5.219 8.543 82 HE1 PHE 9 HE1 PHE 9 2.108 -2.643 4.698 83 HE2 PHE 9 HE2 PHE 9 5.327 -4.788 6.562 84 HZ PHE 9 HZ PHE 9 4.433 -3.502 4.641 85 H ASN 10 H ASN 10 1.236 -7.432 6.920 86 HA ASN 10 HA ASN 10 3.199 -8.824 8.652 87 HB2 ASN 10 HB2 ASN 10 1.188 -10.000 6.729 88 HB3 ASN 10 HB3 ASN 10 2.580 -10.901 7.324 89 HD21 ASN 10 HD21 ASN 10 -0.192 -11.605 7.895 90 HD22 ASN 10 HD22 ASN 10 -0.412 -11.461 9.572 91 H SER 11 H SER 11 4.990 -7.745 7.822 92 HA SER 11 HA SER 11 5.522 -7.309 5.092 93 HB2 SER 11 HB2 SER 11 7.818 -6.887 5.818 94 HB3 SER 11 HB3 SER 11 6.679 -6.132 6.928 95 HG SER 11 HG SER 11 8.433 -8.228 7.310 96 H ASP 12 H ASP 12 6.122 -10.078 7.200 97 HA ASP 12 HA ASP 12 7.979 -11.470 5.604 98 HB2 ASP 12 HB2 ASP 12 5.837 -12.461 7.499 99 HB3 ASP 12 HB3 ASP 12 7.004 -13.530 6.727 100 H LYS 13 H LYS 13 4.437 -11.447 5.616 101 HA LYS 13 HA LYS 13 4.168 -13.269 3.404 102 HB2 LYS 13 HB2 LYS 13 2.229 -11.364 4.735 103 HB3 LYS 13 HB3 LYS 13 1.785 -12.470 3.438 104 HG2 LYS 13 HG2 LYS 13 2.534 -14.384 4.800 105 HG3 LYS 13 HG3 LYS 13 2.978 -13.280 6.105 106 HD2 LYS 13 HD2 LYS 13 0.635 -12.527 6.272 107 HD3 LYS 13 HD3 LYS 13 0.188 -13.630 4.967 108 HE2 LYS 13 HE2 LYS 13 0.930 -15.549 6.326 109 HE3 LYS 13 HE3 LYS 13 1.386 -14.454 7.629 110 HZ1 LYS 13 HZ1 LYS 13 -1.032 -13.656 7.448 111 HZ2 LYS 13 HZ2 LYS 13 -0.724 -15.136 8.223 112 HZ3 LYS 13 HZ3 LYS 13 -1.307 -15.114 6.627 113 H GLY 14 H GLY 14 4.580 -9.845 3.834 114 HA2 GLY 14 HA2 GLY 14 5.369 -8.348 2.190 115 HA3 GLY 14 HA3 GLY 14 4.820 -9.457 0.943 116 H PHE 15 H PHE 15 2.394 -9.053 3.280 117 HA PHE 15 HA PHE 15 1.271 -6.616 2.202 118 HB2 PHE 15 HB2 PHE 15 -0.790 -7.652 1.333 119 HB3 PHE 15 HB3 PHE 15 0.636 -8.150 0.425 120 HD1 PHE 15 HD1 PHE 15 -1.919 -9.213 2.874 121 HD2 PHE 15 HD2 PHE 15 1.446 -10.436 0.499 122 HE1 PHE 15 HE1 PHE 15 -2.475 -11.588 3.312 123 HE2 PHE 15 HE2 PHE 15 0.890 -12.812 0.940 124 HZ PHE 15 HZ PHE 15 -1.069 -13.389 2.345 125 H GLY 16 H GLY 16 -1.035 -6.320 3.048 126 HA2 GLY 16 HA2 GLY 16 -1.666 -7.640 5.545 127 HA3 GLY 16 HA3 GLY 16 -1.115 -5.976 5.728 128 H PHE 17 H PHE 17 -3.571 -6.430 6.607 129 HA PHE 17 HA PHE 17 -5.392 -5.439 4.485 130 HB2 PHE 17 HB2 PHE 17 -6.022 -7.040 6.983 131 HB3 PHE 17 HB3 PHE 17 -7.229 -6.373 5.884 132 HD1 PHE 17 HD1 PHE 17 -4.631 -8.933 6.336 133 HD2 PHE 17 HD2 PHE 17 -7.507 -7.265 3.614 134 HE1 PHE 17 HE1 PHE 17 -4.407 -10.927 4.878 135 HE2 PHE 17 HE2 PHE 17 -7.283 -9.258 2.157 136 HZ PHE 17 HZ PHE 17 -5.734 -11.090 2.788 137 H ILE 18 H ILE 18 -6.434 -3.521 4.853 138 HA ILE 18 HA ILE 18 -5.893 -2.218 7.442 139 HB ILE 18 HB ILE 18 -4.751 -1.130 5.566 140 HG12 ILE 18 HG12 ILE 18 -7.062 0.637 6.391 141 HG13 ILE 18 HG13 ILE 18 -5.793 0.170 7.528 142 HG21 ILE 18 HG21 ILE 18 -6.277 0.089 3.890 143 HG22 ILE 18 HG22 ILE 18 -7.555 -0.994 4.439 144 HG23 ILE 18 HG23 ILE 18 -6.106 -1.654 3.682 145 HD11 ILE 18 HD11 ILE 18 -5.347 1.581 4.880 146 HD12 ILE 18 HD12 ILE 18 -4.091 1.132 6.030 147 HD13 ILE 18 HD13 ILE 18 -5.288 2.350 6.466 148 H THR 19 H THR 19 -7.449 -1.061 8.476 149 HA THR 19 HA THR 19 -10.207 -1.737 7.733 150 HB THR 19 HB THR 19 -9.085 -0.862 10.399 151 HG1 THR 19 HG1 THR 19 -8.633 -2.879 10.670 152 HG21 THR 19 HG21 THR 19 -11.300 -1.862 11.191 153 HG22 THR 19 HG22 THR 19 -11.806 -1.842 9.502 154 HG23 THR 19 HG23 THR 19 -11.419 -0.330 10.325 155 HA PRO 20 HA PRO 20 -10.306 2.743 6.568 156 HB2 PRO 20 HB2 PRO 20 -13.177 1.949 6.209 157 HB3 PRO 20 HB3 PRO 20 -12.139 2.906 5.136 158 HG2 PRO 20 HG2 PRO 20 -12.684 0.416 4.529 159 HG3 PRO 20 HG3 PRO 20 -11.033 1.035 4.326 160 HD2 PRO 20 HD2 PRO 20 -12.123 -0.739 6.487 161 HD3 PRO 20 HD3 PRO 20 -10.541 -0.795 5.672 162 H GLU 21 H GLU 21 -10.588 4.378 8.014 163 HA GLU 21 HA GLU 21 -11.716 3.981 10.573 164 HB2 GLU 21 HB2 GLU 21 -11.399 6.399 10.888 165 HB3 GLU 21 HB3 GLU 21 -9.979 5.662 10.151 166 HG2 GLU 21 HG2 GLU 21 -10.719 6.425 7.928 167 HG3 GLU 21 HG3 GLU 21 -12.168 7.126 8.638 168 H ASP 22 H ASP 22 -13.078 5.161 7.576 169 HA ASP 22 HA ASP 22 -15.430 6.356 8.642 170 HB2 ASP 22 HB2 ASP 22 -14.750 5.262 5.911 171 HB3 ASP 22 HB3 ASP 22 -16.288 6.037 6.275 172 H GLY 23 H GLY 23 -14.500 3.066 8.167 173 HA2 GLY 23 HA2 GLY 23 -15.747 1.298 9.238 174 HA3 GLY 23 HA3 GLY 23 -17.226 2.183 8.883 175 H SER 24 H SER 24 -15.099 2.284 6.248 176 HA SER 24 HA SER 24 -16.802 0.661 4.620 177 HB2 SER 24 HB2 SER 24 -14.122 1.943 4.048 178 HB3 SER 24 HB3 SER 24 -15.133 1.155 2.846 179 HG SER 24 HG SER 24 -15.279 3.598 3.381 180 H LYS 25 H LYS 25 -15.846 -1.055 3.199 181 HA LYS 25 HA LYS 25 -14.913 -3.211 4.764 182 HB2 LYS 25 HB2 LYS 25 -15.035 -2.839 1.765 183 HB3 LYS 25 HB3 LYS 25 -14.633 -4.364 2.555 184 HG2 LYS 25 HG2 LYS 25 -16.814 -4.236 3.789 185 HG3 LYS 25 HG3 LYS 25 -17.221 -2.809 2.840 186 HD2 LYS 25 HD2 LYS 25 -16.500 -5.467 1.580 187 HD3 LYS 25 HD3 LYS 25 -18.157 -5.006 1.958 188 HE2 LYS 25 HE2 LYS 25 -17.893 -2.981 0.533 189 HE3 LYS 25 HE3 LYS 25 -16.265 -3.514 0.112 190 HZ1 LYS 25 HZ1 LYS 25 -18.771 -5.026 -0.405 191 HZ2 LYS 25 HZ2 LYS 25 -17.201 -5.540 -0.809 192 HZ3 LYS 25 HZ3 LYS 25 -17.872 -4.174 -1.565 193 H ASP 26 H ASP 26 -12.924 -4.299 4.770 194 HA ASP 26 HA ASP 26 -10.642 -2.713 4.902 195 HB2 ASP 26 HB2 ASP 26 -9.390 -4.795 5.099 196 HB3 ASP 26 HB3 ASP 26 -10.873 -4.885 6.041 197 H LEU 27 H LEU 27 -8.745 -2.655 3.636 198 HA LEU 27 HA LEU 27 -9.160 -3.233 0.762 199 HB2 LEU 27 HB2 LEU 27 -7.718 -0.876 2.005 200 HB3 LEU 27 HB3 LEU 27 -7.832 -1.209 0.280 201 HG LEU 27 HG LEU 27 -10.252 -0.804 2.064 202 HD11 LEU 27 HD11 LEU 27 -8.867 1.162 0.215 203 HD12 LEU 27 HD12 LEU 27 -8.861 1.240 1.978 204 HD13 LEU 27 HD13 LEU 27 -10.370 1.455 1.090 205 HD21 LEU 27 HD21 LEU 27 -9.835 -0.904 -0.942 206 HD22 LEU 27 HD22 LEU 27 -11.332 -0.361 -0.183 207 HD23 LEU 27 HD23 LEU 27 -10.785 -2.023 0.036 208 H PHE 28 H PHE 28 -7.343 -3.877 -0.431 209 HA PHE 28 HA PHE 28 -5.361 -5.339 1.079 210 HB2 PHE 28 HB2 PHE 28 -5.812 -4.929 -1.884 211 HB3 PHE 28 HB3 PHE 28 -4.503 -5.915 -1.230 212 HD1 PHE 28 HD1 PHE 28 -8.166 -5.596 -1.579 213 HD2 PHE 28 HD2 PHE 28 -4.938 -8.045 -0.156 214 HE1 PHE 28 HE1 PHE 28 -9.730 -7.503 -1.318 215 HE2 PHE 28 HE2 PHE 28 -6.501 -9.952 0.107 216 HZ PHE 28 HZ PHE 28 -8.896 -9.682 -0.474 217 H VAL 29 H VAL 29 -3.376 -4.698 1.613 218 HA VAL 29 HA VAL 29 -2.176 -2.383 0.226 219 HB VAL 29 HB VAL 29 -2.251 -2.880 3.216 220 HG11 VAL 29 HG11 VAL 29 -1.085 -0.620 3.289 221 HG12 VAL 29 HG12 VAL 29 -0.801 -0.801 1.558 222 HG13 VAL 29 HG13 VAL 29 -0.088 -1.948 2.692 223 HG21 VAL 29 HG21 VAL 29 -4.296 -1.878 2.018 224 HG22 VAL 29 HG22 VAL 29 -3.272 -0.475 1.716 225 HG23 VAL 29 HG23 VAL 29 -3.631 -0.963 3.371 226 H HIS 30 H HIS 30 -0.103 -2.692 -0.385 227 HA HIS 30 HA HIS 30 1.248 -5.165 0.514 228 HB2 HIS 30 HB2 HIS 30 1.590 -3.552 -2.027 229 HB3 HIS 30 HB3 HIS 30 2.558 -4.962 -1.595 230 HD2 HIS 30 HD2 HIS 30 -0.742 -4.197 -3.367 231 HE1 HIS 30 HE1 HIS 30 -0.912 -8.284 -2.324 232 HE2 HIS 30 HE2 HIS 30 -2.013 -6.454 -3.696 233 H HIS 31 H HIS 31 3.433 -5.116 1.065 234 HA HIS 31 HA HIS 31 4.337 -2.857 2.509 235 HB2 HIS 31 HB2 HIS 31 5.065 -5.215 2.927 236 HB3 HIS 31 HB3 HIS 31 6.013 -5.148 1.440 237 HD2 HIS 31 HD2 HIS 31 6.240 -3.900 5.132 238 HE1 HIS 31 HE1 HIS 31 9.648 -2.466 3.098 239 HE2 HIS 31 HE2 HIS 31 8.558 -2.724 5.375 240 H SER 32 H SER 32 5.304 -4.162 -0.650 241 HA SER 32 HA SER 32 7.200 -2.117 -1.238 242 HB2 SER 32 HB2 SER 32 7.212 -4.364 -2.287 243 HB3 SER 32 HB3 SER 32 5.743 -3.941 -3.158 244 HG SER 32 HG SER 32 8.348 -2.897 -3.399 245 H GLU 33 H GLU 33 3.888 -1.835 -1.015 246 HA GLU 33 HA GLU 33 3.266 -0.299 -3.330 247 HB2 GLU 33 HB2 GLU 33 1.611 -1.477 -1.845 248 HB3 GLU 33 HB3 GLU 33 1.881 -0.218 -0.643 249 HG2 GLU 33 HG2 GLU 33 -0.089 0.342 -1.967 250 HG3 GLU 33 HG3 GLU 33 1.196 1.491 -2.317 251 H ILE 34 H ILE 34 4.696 0.507 -0.229 252 HA ILE 34 HA ILE 34 4.208 3.322 -0.357 253 HB ILE 34 HB ILE 34 4.684 2.152 1.765 254 HG12 ILE 34 HG12 ILE 34 6.921 4.123 1.238 255 HG13 ILE 34 HG13 ILE 34 5.237 4.636 1.331 256 HG21 ILE 34 HG21 ILE 34 7.586 1.988 0.936 257 HG22 ILE 34 HG22 ILE 34 6.477 0.653 0.631 258 HG23 ILE 34 HG23 ILE 34 6.777 1.188 2.283 259 HD11 ILE 34 HD11 ILE 34 6.915 3.353 3.494 260 HD12 ILE 34 HD12 ILE 34 5.155 3.417 3.591 261 HD13 ILE 34 HD13 ILE 34 6.090 4.911 3.537 262 H GLN 35 H GLN 35 5.689 4.993 -0.830 263 HA GLN 35 HA GLN 35 7.975 4.225 -2.546 264 HB2 GLN 35 HB2 GLN 35 5.959 6.431 -3.028 265 HB3 GLN 35 HB3 GLN 35 7.443 6.211 -3.955 266 HG2 GLN 35 HG2 GLN 35 6.699 3.950 -4.612 267 HG3 GLN 35 HG3 GLN 35 5.209 4.176 -3.695 268 HE21 GLN 35 HE21 GLN 35 3.661 4.311 -5.372 269 HE22 GLN 35 HE22 GLN 35 3.728 5.456 -6.625 270 H SER 36 H SER 36 9.764 5.598 -2.496 271 HA SER 36 HA SER 36 11.328 6.928 -1.470 272 HB2 SER 36 HB2 SER 36 8.890 8.659 -0.980 273 HB3 SER 36 HB3 SER 36 10.564 9.191 -0.838 274 HG SER 36 HG SER 36 9.021 8.925 -3.036 275 H GLY 37 H GLY 37 10.285 4.814 0.097 276 HA2 GLY 37 HA2 GLY 37 9.628 5.672 2.749 277 HA3 GLY 37 HA3 GLY 37 10.107 4.046 2.268 278 H GLY 38 H GLY 38 10.970 5.310 4.651 279 HA2 GLY 38 HA2 GLY 38 13.707 4.766 4.664 280 HA3 GLY 38 HA3 GLY 38 13.534 6.504 4.441 281 H GLU 39 H GLU 39 14.752 6.324 6.573 282 HA GLU 39 HA GLU 39 14.823 6.618 8.847 283 HB2 GLU 39 HB2 GLU 39 11.910 7.353 8.425 284 HB3 GLU 39 HB3 GLU 39 12.848 7.696 9.879 285 HG2 GLU 39 HG2 GLU 39 14.430 9.043 8.533 286 HG3 GLU 39 HG3 GLU 39 13.466 8.720 7.092 287 H TYR 40 H TYR 40 14.399 3.969 7.924 288 HA TYR 40 HA TYR 40 13.809 1.874 8.659 289 HB2 TYR 40 HB2 TYR 40 13.704 3.365 11.293 290 HB3 TYR 40 HB3 TYR 40 13.678 1.610 11.137 291 HD1 TYR 40 HD1 TYR 40 15.727 4.645 10.853 292 HD2 TYR 40 HD2 TYR 40 15.652 0.382 10.326 293 HE1 TYR 40 HE1 TYR 40 18.204 4.618 10.709 294 HE2 TYR 40 HE2 TYR 40 18.128 0.356 10.183 295 HH TYR 40 HH TYR 40 20.038 1.996 11.123 296 H ALA 41 H ALA 41 11.700 3.455 7.580 297 HA ALA 41 HA ALA 41 9.349 3.515 9.104 298 HB1 ALA 41 HB1 ALA 41 9.450 4.663 6.984 299 HB2 ALA 41 HB2 ALA 41 8.183 3.442 6.882 300 HB3 ALA 41 HB3 ALA 41 9.750 3.150 6.127 301 H THR 42 H THR 42 8.000 2.006 9.801 302 HA THR 42 HA THR 42 7.942 -0.639 8.536 303 HB THR 42 HB THR 42 9.572 -0.836 10.362 304 HG1 THR 42 HG1 THR 42 7.120 -2.024 11.118 305 HG21 THR 42 HG21 THR 42 7.298 -0.021 12.198 306 HG22 THR 42 HG22 THR 42 8.657 1.021 11.768 307 HG23 THR 42 HG23 THR 42 8.938 -0.463 12.683 308 H LEU 43 H LEU 43 6.106 -1.973 9.368 309 HA LEU 43 HA LEU 43 3.876 -0.391 10.441 310 HB2 LEU 43 HB2 LEU 43 3.718 -2.069 7.931 311 HB3 LEU 43 HB3 LEU 43 2.349 -1.313 8.726 312 HG LEU 43 HG LEU 43 4.741 0.220 7.656 313 HD11 LEU 43 HD11 LEU 43 3.097 0.884 5.838 314 HD12 LEU 43 HD12 LEU 43 2.050 -0.412 6.416 315 HD13 LEU 43 HD13 LEU 43 3.644 -0.791 5.767 316 HD21 LEU 43 HD21 LEU 43 2.955 2.097 7.755 317 HD22 LEU 43 HD22 LEU 43 3.631 1.551 9.288 318 HD23 LEU 43 HD23 LEU 43 2.037 0.993 8.782 319 H ALA 44 H ALA 44 2.268 -1.670 11.477 320 HA ALA 44 HA ALA 44 2.764 -4.546 11.766 321 HB1 ALA 44 HB1 ALA 44 2.452 -2.894 14.261 322 HB2 ALA 44 HB2 ALA 44 4.045 -3.109 13.532 323 HB3 ALA 44 HB3 ALA 44 3.129 -4.512 14.080 324 H ASP 45 H ASP 45 0.962 -4.851 14.035 325 HA ASP 45 HA ASP 45 -1.551 -4.598 12.607 326 HB2 ASP 45 HB2 ASP 45 -2.460 -5.929 14.479 327 HB3 ASP 45 HB3 ASP 45 -1.055 -6.697 13.750 328 H GLY 46 H GLY 46 -2.714 -2.818 12.753 329 HA2 GLY 46 HA2 GLY 46 -4.118 -1.321 13.968 330 HA3 GLY 46 HA3 GLY 46 -3.062 -1.496 15.361 331 H GLN 47 H GLN 47 -0.978 -1.137 12.862 332 HA GLN 47 HA GLN 47 -0.115 1.441 13.555 333 HB2 GLN 47 HB2 GLN 47 1.240 -0.364 12.480 334 HB3 GLN 47 HB3 GLN 47 0.385 -0.056 10.972 335 HG2 GLN 47 HG2 GLN 47 2.535 1.120 11.003 336 HG3 GLN 47 HG3 GLN 47 1.207 2.267 10.980 337 HE21 GLN 47 HE21 GLN 47 1.728 4.004 12.325 338 HE22 GLN 47 HE22 GLN 47 2.499 3.870 13.831 339 H THR 48 H THR 48 -0.655 3.427 12.881 340 HA THR 48 HA THR 48 -2.945 3.764 11.124 341 HB THR 48 HB THR 48 -1.230 5.848 12.513 342 HG1 THR 48 HG1 THR 48 -3.646 4.561 13.253 343 HG21 THR 48 HG21 THR 48 -2.970 7.393 12.050 344 HG22 THR 48 HG22 THR 48 -4.096 6.114 11.598 345 HG23 THR 48 HG23 THR 48 -2.750 6.520 10.533 346 H VAL 49 H VAL 49 -2.876 4.274 9.029 347 HA VAL 49 HA VAL 49 -0.429 5.442 7.892 348 HB VAL 49 HB VAL 49 -0.457 3.835 6.008 349 HG11 VAL 49 HG11 VAL 49 0.954 3.524 8.086 350 HG12 VAL 49 HG12 VAL 49 0.609 2.037 7.200 351 HG13 VAL 49 HG13 VAL 49 -0.283 2.411 8.674 352 HG21 VAL 49 HG21 VAL 49 -1.747 1.698 6.352 353 HG22 VAL 49 HG22 VAL 49 -2.773 3.100 6.058 354 HG23 VAL 49 HG23 VAL 49 -2.583 2.476 7.696 355 H GLU 50 H GLU 50 -0.735 6.109 5.600 356 HA GLU 50 HA GLU 50 -3.484 7.131 5.165 357 HB2 GLU 50 HB2 GLU 50 -0.839 8.316 4.260 358 HB3 GLU 50 HB3 GLU 50 -2.433 8.971 3.888 359 HG2 GLU 50 HG2 GLU 50 -2.872 9.259 6.306 360 HG3 GLU 50 HG3 GLU 50 -1.264 8.633 6.666 361 H TYR 51 H TYR 51 -4.405 6.797 3.147 362 HA TYR 51 HA TYR 51 -2.812 5.649 0.996 363 HB2 TYR 51 HB2 TYR 51 -4.188 3.615 0.813 364 HB3 TYR 51 HB3 TYR 51 -3.325 3.673 2.346 365 HD1 TYR 51 HD1 TYR 51 -6.615 3.914 0.712 366 HD2 TYR 51 HD2 TYR 51 -4.514 4.081 4.454 367 HE1 TYR 51 HE1 TYR 51 -8.768 3.733 1.928 368 HE2 TYR 51 HE2 TYR 51 -6.668 3.897 5.671 369 HH TYR 51 HH TYR 51 -9.242 2.770 4.690 370 H GLU 52 H GLU 52 -4.070 5.216 -0.949 371 HA GLU 52 HA GLU 52 -6.413 7.010 -1.203 372 HB2 GLU 52 HB2 GLU 52 -4.300 6.331 -3.274 373 HB3 GLU 52 HB3 GLU 52 -5.724 7.328 -3.563 374 HG2 GLU 52 HG2 GLU 52 -3.549 7.950 -1.541 375 HG3 GLU 52 HG3 GLU 52 -3.696 8.700 -3.127 376 H VAL 53 H VAL 53 -8.244 6.095 -1.987 377 HA VAL 53 HA VAL 53 -8.224 3.217 -2.473 378 HB VAL 53 HB VAL 53 -10.526 5.198 -2.320 379 HG11 VAL 53 HG11 VAL 53 -10.588 2.164 -2.221 380 HG12 VAL 53 HG12 VAL 53 -11.021 3.118 -3.641 381 HG13 VAL 53 HG13 VAL 53 -11.977 3.251 -2.165 382 HG21 VAL 53 HG21 VAL 53 -10.852 4.400 -0.080 383 HG22 VAL 53 HG22 VAL 53 -9.143 4.803 -0.219 384 HG23 VAL 53 HG23 VAL 53 -9.660 3.119 -0.295 385 H GLY 54 H GLY 54 -7.832 2.486 -4.446 386 HA2 GLY 54 HA2 GLY 54 -8.962 3.941 -6.770 387 HA3 GLY 54 HA3 GLY 54 -7.351 3.228 -6.806 388 H GLN 55 H GLN 55 -10.501 2.745 -7.678 389 HA GLN 55 HA GLN 55 -11.059 0.077 -7.135 390 HB2 GLN 55 HB2 GLN 55 -11.796 1.781 -9.522 391 HB3 GLN 55 HB3 GLN 55 -12.482 0.185 -9.200 392 HG2 GLN 55 HG2 GLN 55 -13.293 0.977 -7.007 393 HG3 GLN 55 HG3 GLN 55 -12.616 2.571 -7.333 394 HE21 GLN 55 HE21 GLN 55 -14.497 3.832 -7.610 395 HE22 GLN 55 HE22 GLN 55 -15.707 3.484 -8.749 396 H GLY 56 H GLY 56 -10.675 -1.828 -8.159 397 HA2 GLY 56 HA2 GLY 56 -8.812 -1.885 -10.433 398 HA3 GLY 56 HA3 GLY 56 -8.421 -2.794 -8.974 399 H GLN 57 H GLN 57 -8.498 -4.437 -10.896 400 HA GLN 57 HA GLN 57 -10.971 -5.333 -11.915 401 HB2 GLN 57 HB2 GLN 57 -8.319 -6.725 -11.511 402 HB3 GLN 57 HB3 GLN 57 -9.684 -7.460 -12.355 403 HG2 GLN 57 HG2 GLN 57 -9.703 -5.704 -14.007 404 HG3 GLN 57 HG3 GLN 57 -8.518 -4.768 -13.098 405 HE21 GLN 57 HE21 GLN 57 -8.319 -5.885 -15.900 406 HE22 GLN 57 HE22 GLN 57 -6.925 -6.852 -15.893 407 H LYS 58 H LYS 58 -9.122 -6.285 -9.034 408 HA LYS 58 HA LYS 58 -11.116 -8.271 -8.277 409 HB2 LYS 58 HB2 LYS 58 -8.598 -7.298 -6.915 410 HB3 LYS 58 HB3 LYS 58 -9.643 -8.567 -6.275 411 HG2 LYS 58 HG2 LYS 58 -9.306 -9.886 -8.333 412 HG3 LYS 58 HG3 LYS 58 -8.258 -8.621 -8.975 413 HD2 LYS 58 HD2 LYS 58 -6.713 -8.933 -7.077 414 HD3 LYS 58 HD3 LYS 58 -7.758 -10.202 -6.436 415 HE2 LYS 58 HE2 LYS 58 -7.424 -11.525 -8.489 416 HE3 LYS 58 HE3 LYS 58 -6.385 -10.255 -9.139 417 HZ1 LYS 58 HZ1 LYS 58 -5.013 -11.926 -8.172 418 HZ2 LYS 58 HZ2 LYS 58 -5.897 -11.906 -6.722 419 HZ3 LYS 58 HZ3 LYS 58 -4.950 -10.566 -7.162 420 H GLY 59 H GLY 59 -10.418 -4.939 -7.628 421 HA2 GLY 59 HA2 GLY 59 -12.651 -3.959 -6.648 422 HA3 GLY 59 HA3 GLY 59 -12.128 -4.878 -5.240 423 HA PRO 60 HA PRO 60 -10.248 -0.474 -5.292 424 HB2 PRO 60 HB2 PRO 60 -11.294 -0.514 -2.503 425 HB3 PRO 60 HB3 PRO 60 -11.335 0.786 -3.710 426 HG2 PRO 60 HG2 PRO 60 -13.529 -0.554 -3.122 427 HG3 PRO 60 HG3 PRO 60 -13.166 -0.096 -4.797 428 HD2 PRO 60 HD2 PRO 60 -12.841 -2.780 -3.470 429 HD3 PRO 60 HD3 PRO 60 -13.462 -2.398 -5.094 430 H CYS 61 H CYS 61 -8.257 -0.026 -4.529 431 HA CYS 61 HA CYS 61 -7.071 -1.798 -2.481 432 HB2 CYS 61 HB2 CYS 61 -5.748 -0.804 -5.020 433 HB3 CYS 61 HB3 CYS 61 -4.962 -1.746 -3.755 434 HG CYS 61 HG CYS 61 -6.969 -3.581 -4.344 435 H ALA 62 H ALA 62 -4.966 -0.769 -1.609 436 HA ALA 62 HA ALA 62 -5.386 2.160 -1.367 437 HB1 ALA 62 HB1 ALA 62 -5.692 1.669 0.818 438 HB2 ALA 62 HB2 ALA 62 -3.941 1.471 0.868 439 HB3 ALA 62 HB3 ALA 62 -4.985 0.066 0.655 440 H ASN 63 H ASN 63 -3.796 3.377 -2.142 441 HA ASN 63 HA ASN 63 -1.104 2.180 -2.463 442 HB2 ASN 63 HB2 ASN 63 -2.476 4.246 -4.200 443 HB3 ASN 63 HB3 ASN 63 -0.844 3.623 -4.436 444 HD21 ASN 63 HD21 ASN 63 -3.587 3.339 -5.974 445 HD22 ASN 63 HD22 ASN 63 -3.653 1.674 -6.297 446 H LYS 64 H LYS 64 0.660 3.834 -2.568 447 HA LYS 64 HA LYS 64 1.889 5.490 -1.568 448 HB2 LYS 64 HB2 LYS 64 -0.793 6.895 -1.589 449 HB3 LYS 64 HB3 LYS 64 0.740 7.677 -1.206 450 HG2 LYS 64 HG2 LYS 64 1.612 7.048 -3.432 451 HG3 LYS 64 HG3 LYS 64 0.071 6.283 -3.817 452 HD2 LYS 64 HD2 LYS 64 -1.082 8.444 -3.549 453 HD3 LYS 64 HD3 LYS 64 0.449 9.215 -3.136 454 HE2 LYS 64 HE2 LYS 64 -0.051 9.616 -5.495 455 HE3 LYS 64 HE3 LYS 64 1.349 8.554 -5.365 456 HZ1 LYS 64 HZ1 LYS 64 -0.393 7.858 -7.006 457 HZ2 LYS 64 HZ2 LYS 64 -1.417 7.540 -5.688 458 HZ3 LYS 64 HZ3 LYS 64 0.037 6.679 -5.866 459 H VAL 65 H VAL 65 1.599 3.580 0.114 460 HA VAL 65 HA VAL 65 0.153 4.178 2.518 461 HB VAL 65 HB VAL 65 2.423 2.218 2.036 462 HG11 VAL 65 HG11 VAL 65 1.447 1.057 4.041 463 HG12 VAL 65 HG12 VAL 65 0.412 2.462 4.296 464 HG13 VAL 65 HG13 VAL 65 2.164 2.624 4.416 465 HG21 VAL 65 HG21 VAL 65 0.268 1.977 0.655 466 HG22 VAL 65 HG22 VAL 65 -0.540 1.613 2.179 467 HG23 VAL 65 HG23 VAL 65 0.763 0.573 1.598 468 H VAL 66 H VAL 66 0.683 5.675 3.922 469 HA VAL 66 HA VAL 66 3.548 6.281 4.415 470 HB VAL 66 HB VAL 66 1.252 8.273 4.366 471 HG11 VAL 66 HG11 VAL 66 3.099 9.951 4.639 472 HG12 VAL 66 HG12 VAL 66 4.215 8.616 4.926 473 HG13 VAL 66 HG13 VAL 66 2.888 8.915 6.050 474 HG21 VAL 66 HG21 VAL 66 3.657 7.979 2.536 475 HG22 VAL 66 HG22 VAL 66 2.401 9.212 2.412 476 HG23 VAL 66 HG23 VAL 66 2.005 7.519 2.116 477 H ALA 67 H ALA 67 4.125 5.856 6.437 478 HA ALA 67 HA ALA 67 2.212 5.168 8.461 479 HB1 ALA 67 HB1 ALA 67 4.084 4.621 9.813 480 HB2 ALA 67 HB2 ALA 67 5.154 5.680 8.893 481 HB3 ALA 67 HB3 ALA 67 4.552 4.189 8.169 482 H VAL 68 H VAL 68 1.515 6.325 10.184 483 HA VAL 68 HA VAL 68 2.644 9.009 10.644 484 HB VAL 68 HB VAL 68 0.356 9.934 10.905 485 HG11 VAL 68 HG11 VAL 68 1.633 10.101 8.758 486 HG12 VAL 68 HG12 VAL 68 -0.115 10.119 8.529 487 HG13 VAL 68 HG13 VAL 68 0.802 8.651 8.196 488 HG21 VAL 68 HG21 VAL 68 -0.615 7.388 9.578 489 HG22 VAL 68 HG22 VAL 68 -1.589 8.703 10.234 490 HG23 VAL 68 HG23 VAL 68 -0.700 7.637 11.322 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -7.636 12.894 -0.056 2 H2 MET 1 HT2 MET 1 -7.918 11.254 -0.395 3 H3 MET 1 HT3 MET 1 -6.588 12.049 -1.088 4 HA MET 1 HA MET 1 -5.668 10.799 0.637 5 HB2 MET 1 HB2 MET 1 -6.207 13.645 1.527 6 HB3 MET 1 HB3 MET 1 -5.062 12.573 2.337 7 HG2 MET 1 HG2 MET 1 -3.758 12.339 0.296 8 HG3 MET 1 HG3 MET 1 -4.949 13.273 -0.611 9 HE1 MET 1 HE1 MET 1 -3.443 13.783 3.041 10 HE2 MET 1 HE2 MET 1 -2.031 14.741 2.602 11 HE3 MET 1 HE3 MET 1 -2.215 13.113 1.958 12 H SER 2 H SER 2 -5.929 9.652 2.508 13 HA SER 2 HA SER 2 -8.088 10.255 4.363 14 HB2 SER 2 HB2 SER 2 -9.213 8.123 4.109 15 HB3 SER 2 HB3 SER 2 -9.181 8.939 2.548 16 HG SER 2 HG SER 2 -7.814 7.487 1.808 17 H LYS 3 H LYS 3 -8.065 8.784 6.242 18 HA LYS 3 HA LYS 3 -5.463 7.437 6.640 19 HB2 LYS 3 HB2 LYS 3 -6.845 9.320 8.558 20 HB3 LYS 3 HB3 LYS 3 -5.490 8.285 8.994 21 HG2 LYS 3 HG2 LYS 3 -4.101 9.355 7.283 22 HG3 LYS 3 HG3 LYS 3 -5.450 10.394 6.815 23 HD2 LYS 3 HD2 LYS 3 -5.497 11.348 9.094 24 HD3 LYS 3 HD3 LYS 3 -4.142 10.316 9.552 25 HE2 LYS 3 HE2 LYS 3 -2.738 11.383 7.828 26 HE3 LYS 3 HE3 LYS 3 -4.091 12.413 7.361 27 HZ1 LYS 3 HZ1 LYS 3 -2.901 13.723 8.826 28 HZ2 LYS 3 HZ2 LYS 3 -2.529 12.430 9.862 29 HZ3 LYS 3 HZ3 LYS 3 -4.103 13.067 9.825 30 H GLY 4 H GLY 4 -5.700 5.416 7.249 31 HA2 GLY 4 HA2 GLY 4 -8.100 4.637 8.807 32 HA3 GLY 4 HA3 GLY 4 -7.530 3.670 7.447 33 H ILE 5 H ILE 5 -7.748 2.402 9.828 34 HA ILE 5 HA ILE 5 -4.990 2.322 10.902 35 HB ILE 5 HB ILE 5 -6.043 1.076 12.841 36 HG12 ILE 5 HG12 ILE 5 -8.652 2.240 11.827 37 HG13 ILE 5 HG13 ILE 5 -8.192 0.578 11.481 38 HG21 ILE 5 HG21 ILE 5 -5.420 3.478 12.907 39 HG22 ILE 5 HG22 ILE 5 -6.837 3.138 13.901 40 HG23 ILE 5 HG23 ILE 5 -7.030 3.898 12.322 41 HD11 ILE 5 HD11 ILE 5 -8.501 1.811 14.235 42 HD12 ILE 5 HD12 ILE 5 -7.950 0.163 13.927 43 HD13 ILE 5 HD13 ILE 5 -9.591 0.642 13.490 44 H VAL 6 H VAL 6 -3.763 0.695 10.394 45 HA VAL 6 HA VAL 6 -4.588 -1.343 8.653 46 HB VAL 6 HB VAL 6 -2.106 -1.206 10.382 47 HG11 VAL 6 HG11 VAL 6 -1.207 -2.664 8.441 48 HG12 VAL 6 HG12 VAL 6 -2.899 -2.971 8.059 49 HG13 VAL 6 HG13 VAL 6 -2.247 -3.452 9.625 50 HG21 VAL 6 HG21 VAL 6 -2.501 0.721 8.791 51 HG22 VAL 6 HG22 VAL 6 -2.482 -0.446 7.468 52 HG23 VAL 6 HG23 VAL 6 -1.039 -0.205 8.452 53 H LYS 7 H LYS 7 -5.593 -3.210 9.008 54 HA LYS 7 HA LYS 7 -6.408 -4.047 11.611 55 HB2 LYS 7 HB2 LYS 7 -7.630 -4.611 9.482 56 HB3 LYS 7 HB3 LYS 7 -6.312 -5.716 9.076 57 HG2 LYS 7 HG2 LYS 7 -6.724 -6.933 11.220 58 HG3 LYS 7 HG3 LYS 7 -8.098 -5.874 11.528 59 HD2 LYS 7 HD2 LYS 7 -7.862 -7.533 9.008 60 HD3 LYS 7 HD3 LYS 7 -8.654 -8.130 10.464 61 HE2 LYS 7 HE2 LYS 7 -10.186 -6.166 10.403 62 HE3 LYS 7 HE3 LYS 7 -9.428 -5.648 8.898 63 HZ1 LYS 7 HZ1 LYS 7 -10.881 -8.195 9.363 64 HZ2 LYS 7 HZ2 LYS 7 -10.052 -7.807 7.932 65 HZ3 LYS 7 HZ3 LYS 7 -11.402 -6.892 8.411 66 H TRP 8 H TRP 8 -3.969 -5.157 9.288 67 HA TRP 8 HA TRP 8 -2.104 -5.806 11.320 68 HB2 TRP 8 HB2 TRP 8 -1.955 -8.229 11.003 69 HB3 TRP 8 HB3 TRP 8 -3.524 -7.767 11.645 70 HD1 TRP 8 HD1 TRP 8 -5.634 -8.006 10.047 71 HE1 TRP 8 HE1 TRP 8 -6.021 -9.403 7.917 72 HE3 TRP 8 HE3 TRP 8 -0.801 -9.123 8.837 73 HZ2 TRP 8 HZ2 TRP 8 -4.482 -10.811 5.959 74 HZ3 TRP 8 HZ3 TRP 8 -0.292 -10.494 6.836 75 HH2 TRP 8 HH2 TRP 8 -2.125 -11.338 5.397 76 H PHE 9 H PHE 9 -0.097 -5.775 10.551 77 HA PHE 9 HA PHE 9 0.234 -5.811 7.594 78 HB2 PHE 9 HB2 PHE 9 0.628 -3.589 8.734 79 HB3 PHE 9 HB3 PHE 9 1.986 -4.341 9.574 80 HD1 PHE 9 HD1 PHE 9 0.699 -3.198 6.317 81 HD2 PHE 9 HD2 PHE 9 3.997 -5.033 8.371 82 HE1 PHE 9 HE1 PHE 9 2.136 -2.841 4.327 83 HE2 PHE 9 HE2 PHE 9 5.433 -4.674 6.383 84 HZ PHE 9 HZ PHE 9 4.504 -3.579 4.362 85 H ASN 10 H ASN 10 1.534 -7.343 6.775 86 HA ASN 10 HA ASN 10 3.581 -8.548 8.536 87 HB2 ASN 10 HB2 ASN 10 1.591 -9.994 6.788 88 HB3 ASN 10 HB3 ASN 10 3.075 -10.746 7.362 89 HD21 ASN 10 HD21 ASN 10 0.498 -11.732 8.141 90 HD22 ASN 10 HD22 ASN 10 0.303 -11.460 9.804 91 H SER 11 H SER 11 5.318 -7.547 7.615 92 HA SER 11 HA SER 11 5.712 -7.110 4.861 93 HB2 SER 11 HB2 SER 11 8.030 -6.644 5.479 94 HB3 SER 11 HB3 SER 11 6.929 -5.901 6.634 95 HG SER 11 HG SER 11 8.419 -8.299 6.902 96 H ASP 12 H ASP 12 6.458 -9.856 6.949 97 HA ASP 12 HA ASP 12 8.261 -11.226 5.274 98 HB2 ASP 12 HB2 ASP 12 6.215 -12.247 7.261 99 HB3 ASP 12 HB3 ASP 12 7.368 -13.299 6.442 100 H LYS 13 H LYS 13 4.724 -11.245 5.437 101 HA LYS 13 HA LYS 13 4.388 -13.067 3.232 102 HB2 LYS 13 HB2 LYS 13 2.474 -11.199 4.656 103 HB3 LYS 13 HB3 LYS 13 1.991 -12.322 3.382 104 HG2 LYS 13 HG2 LYS 13 2.802 -14.220 4.700 105 HG3 LYS 13 HG3 LYS 13 3.391 -13.128 5.954 106 HD2 LYS 13 HD2 LYS 13 1.292 -13.946 6.747 107 HD3 LYS 13 HD3 LYS 13 0.975 -12.306 6.174 108 HE2 LYS 13 HE2 LYS 13 0.114 -13.179 4.059 109 HE3 LYS 13 HE3 LYS 13 0.505 -14.826 4.549 110 HZ1 LYS 13 HZ1 LYS 13 -1.793 -14.448 4.973 111 HZ2 LYS 13 HZ2 LYS 13 -1.471 -13.002 5.805 112 HZ3 LYS 13 HZ3 LYS 13 -1.001 -14.492 6.473 113 H GLY 14 H GLY 14 4.734 -9.634 3.687 114 HA2 GLY 14 HA2 GLY 14 5.472 -8.113 2.042 115 HA3 GLY 14 HA3 GLY 14 4.920 -9.221 0.795 116 H PHE 15 H PHE 15 2.519 -8.849 3.172 117 HA PHE 15 HA PHE 15 1.381 -6.403 2.149 118 HB2 PHE 15 HB2 PHE 15 -0.655 -7.405 1.191 119 HB3 PHE 15 HB3 PHE 15 0.794 -7.859 0.296 120 HD1 PHE 15 HD1 PHE 15 -1.866 -9.034 2.550 121 HD2 PHE 15 HD2 PHE 15 1.671 -10.141 0.378 122 HE1 PHE 15 HE1 PHE 15 -2.417 -11.430 2.875 123 HE2 PHE 15 HE2 PHE 15 1.122 -12.536 0.705 124 HZ PHE 15 HZ PHE 15 -0.923 -13.181 1.951 125 H GLY 16 H GLY 16 -0.982 -6.203 2.916 126 HA2 GLY 16 HA2 GLY 16 -1.686 -7.593 5.338 127 HA3 GLY 16 HA3 GLY 16 -1.106 -5.953 5.624 128 H PHE 17 H PHE 17 -3.558 -6.273 6.430 129 HA PHE 17 HA PHE 17 -5.285 -5.145 4.297 130 HB2 PHE 17 HB2 PHE 17 -5.982 -7.011 6.572 131 HB3 PHE 17 HB3 PHE 17 -7.197 -6.109 5.665 132 HD1 PHE 17 HD1 PHE 17 -4.392 -8.527 5.286 133 HD2 PHE 17 HD2 PHE 17 -7.946 -6.878 3.544 134 HE1 PHE 17 HE1 PHE 17 -4.327 -10.266 3.519 135 HE2 PHE 17 HE2 PHE 17 -7.880 -8.607 1.769 136 HZ PHE 17 HZ PHE 17 -6.072 -10.302 1.757 137 H ILE 18 H ILE 18 -6.444 -3.322 4.787 138 HA ILE 18 HA ILE 18 -5.913 -2.147 7.439 139 HB ILE 18 HB ILE 18 -4.745 -0.979 5.625 140 HG12 ILE 18 HG12 ILE 18 -7.040 0.764 6.540 141 HG13 ILE 18 HG13 ILE 18 -5.783 0.223 7.655 142 HG21 ILE 18 HG21 ILE 18 -5.988 0.166 3.863 143 HG22 ILE 18 HG22 ILE 18 -7.517 -0.400 4.533 144 HG23 ILE 18 HG23 ILE 18 -6.383 -1.552 3.828 145 HD11 ILE 18 HD11 ILE 18 -5.051 2.351 6.863 146 HD12 ILE 18 HD12 ILE 18 -5.471 1.952 5.198 147 HD13 ILE 18 HD13 ILE 18 -4.098 1.165 5.972 148 H THR 19 H THR 19 -7.479 -1.036 8.512 149 HA THR 19 HA THR 19 -10.227 -1.674 7.704 150 HB THR 19 HB THR 19 -9.146 -0.881 10.411 151 HG1 THR 19 HG1 THR 19 -8.537 -2.874 10.470 152 HG21 THR 19 HG21 THR 19 -11.534 -0.378 10.148 153 HG22 THR 19 HG22 THR 19 -11.328 -1.768 11.213 154 HG23 THR 19 HG23 THR 19 -11.825 -2.007 9.540 155 HA PRO 20 HA PRO 20 -10.311 2.832 6.637 156 HB2 PRO 20 HB2 PRO 20 -13.177 2.011 6.296 157 HB3 PRO 20 HB3 PRO 20 -12.178 3.035 5.249 158 HG2 PRO 20 HG2 PRO 20 -12.660 0.569 4.540 159 HG3 PRO 20 HG3 PRO 20 -11.018 1.219 4.374 160 HD2 PRO 20 HD2 PRO 20 -12.095 -0.658 6.454 161 HD3 PRO 20 HD3 PRO 20 -10.506 -0.653 5.651 162 H GLU 21 H GLU 21 -10.604 4.463 8.066 163 HA GLU 21 HA GLU 21 -11.710 4.075 10.636 164 HB2 GLU 21 HB2 GLU 21 -11.377 6.484 10.944 165 HB3 GLU 21 HB3 GLU 21 -9.974 5.753 10.171 166 HG2 GLU 21 HG2 GLU 21 -10.732 6.538 7.977 167 HG3 GLU 21 HG3 GLU 21 -12.200 7.194 8.694 168 H ASP 22 H ASP 22 -13.192 4.910 7.631 169 HA ASP 22 HA ASP 22 -15.546 6.130 8.827 170 HB2 ASP 22 HB2 ASP 22 -14.939 5.353 5.969 171 HB3 ASP 22 HB3 ASP 22 -16.355 6.260 6.498 172 H GLY 23 H GLY 23 -14.526 2.968 8.539 173 HA2 GLY 23 HA2 GLY 23 -15.767 1.081 9.192 174 HA3 GLY 23 HA3 GLY 23 -17.250 1.967 8.871 175 H SER 24 H SER 24 -15.111 2.339 6.279 176 HA SER 24 HA SER 24 -16.744 0.794 4.513 177 HB2 SER 24 HB2 SER 24 -15.637 2.806 3.700 178 HB3 SER 24 HB3 SER 24 -14.061 2.124 4.070 179 HG SER 24 HG SER 24 -15.948 0.947 2.311 180 H LYS 25 H LYS 25 -15.814 -0.866 3.053 181 HA LYS 25 HA LYS 25 -14.878 -3.086 4.507 182 HB2 LYS 25 HB2 LYS 25 -14.942 -2.559 1.528 183 HB3 LYS 25 HB3 LYS 25 -14.550 -4.122 2.245 184 HG2 LYS 25 HG2 LYS 25 -16.741 -4.157 3.379 185 HG3 LYS 25 HG3 LYS 25 -17.137 -2.595 2.661 186 HD2 LYS 25 HD2 LYS 25 -16.927 -3.574 0.405 187 HD3 LYS 25 HD3 LYS 25 -16.532 -5.137 1.121 188 HE2 LYS 25 HE2 LYS 25 -18.724 -5.182 2.249 189 HE3 LYS 25 HE3 LYS 25 -19.122 -3.615 1.545 190 HZ1 LYS 25 HZ1 LYS 25 -19.189 -4.505 -0.589 191 HZ2 LYS 25 HZ2 LYS 25 -19.957 -5.687 0.359 192 HZ3 LYS 25 HZ3 LYS 25 -18.352 -5.911 -0.147 193 H ASP 26 H ASP 26 -12.878 -4.127 4.569 194 HA ASP 26 HA ASP 26 -10.608 -2.524 4.760 195 HB2 ASP 26 HB2 ASP 26 -9.349 -4.606 4.951 196 HB3 ASP 26 HB3 ASP 26 -10.838 -4.702 5.879 197 H LEU 27 H LEU 27 -8.691 -2.447 3.523 198 HA LEU 27 HA LEU 27 -9.073 -2.984 0.635 199 HB2 LEU 27 HB2 LEU 27 -7.597 -0.675 1.931 200 HB3 LEU 27 HB3 LEU 27 -7.708 -0.976 0.200 201 HG LEU 27 HG LEU 27 -10.123 -0.532 1.988 202 HD11 LEU 27 HD11 LEU 27 -8.690 1.402 0.140 203 HD12 LEU 27 HD12 LEU 27 -8.694 1.484 1.901 204 HD13 LEU 27 HD13 LEU 27 -10.191 1.730 1.002 205 HD21 LEU 27 HD21 LEU 27 -11.220 -0.083 -0.234 206 HD22 LEU 27 HD22 LEU 27 -10.665 -1.747 -0.055 207 HD23 LEU 27 HD23 LEU 27 -9.732 -0.606 -1.025 208 H PHE 28 H PHE 28 -7.282 -3.667 -0.543 209 HA PHE 28 HA PHE 28 -5.307 -5.175 0.933 210 HB2 PHE 28 HB2 PHE 28 -5.735 -4.669 -2.023 211 HB3 PHE 28 HB3 PHE 28 -4.445 -5.690 -1.386 212 HD1 PHE 28 HD1 PHE 28 -8.107 -5.307 -1.730 213 HD2 PHE 28 HD2 PHE 28 -4.909 -7.865 -0.435 214 HE1 PHE 28 HE1 PHE 28 -9.692 -7.207 -1.565 215 HE2 PHE 28 HE2 PHE 28 -6.495 -9.764 -0.267 216 HZ PHE 28 HZ PHE 28 -8.886 -9.435 -0.833 217 H VAL 29 H VAL 29 -3.338 -4.504 1.519 218 HA VAL 29 HA VAL 29 -2.143 -2.178 0.151 219 HB VAL 29 HB VAL 29 -2.276 -2.653 3.144 220 HG11 VAL 29 HG11 VAL 29 -1.151 -0.373 3.219 221 HG12 VAL 29 HG12 VAL 29 -0.827 -0.569 1.497 222 HG13 VAL 29 HG13 VAL 29 -0.120 -1.690 2.658 223 HG21 VAL 29 HG21 VAL 29 -3.665 -0.717 3.231 224 HG22 VAL 29 HG22 VAL 29 -4.317 -1.713 1.930 225 HG23 VAL 29 HG23 VAL 29 -3.319 -0.309 1.553 226 H HIS 30 H HIS 30 -0.056 -2.448 -0.417 227 HA HIS 30 HA HIS 30 1.318 -4.901 0.499 228 HB2 HIS 30 HB2 HIS 30 1.669 -3.277 -2.031 229 HB3 HIS 30 HB3 HIS 30 2.663 -4.662 -1.586 230 HD2 HIS 30 HD2 HIS 30 -0.614 -3.982 -3.424 231 HE1 HIS 30 HE1 HIS 30 -0.718 -8.066 -2.361 232 HE2 HIS 30 HE2 HIS 30 -1.827 -6.267 -3.769 233 H HIS 31 H HIS 31 3.529 -4.824 1.006 234 HA HIS 31 HA HIS 31 4.381 -2.594 2.522 235 HB2 HIS 31 HB2 HIS 31 5.168 -4.932 2.876 236 HB3 HIS 31 HB3 HIS 31 6.081 -4.827 1.372 237 HD2 HIS 31 HD2 HIS 31 6.337 -3.560 5.071 238 HE1 HIS 31 HE1 HIS 31 9.758 -2.205 3.009 239 HE2 HIS 31 HE2 HIS 31 8.668 -2.410 5.291 240 H SER 32 H SER 32 5.368 -3.754 -0.688 241 HA SER 32 HA SER 32 7.282 -1.757 -1.230 242 HB2 SER 32 HB2 SER 32 5.615 -3.450 -3.092 243 HB3 SER 32 HB3 SER 32 6.952 -2.430 -3.618 244 HG SER 32 HG SER 32 8.346 -3.661 -2.430 245 H GLU 33 H GLU 33 3.838 -1.589 -1.260 246 HA GLU 33 HA GLU 33 3.590 0.543 -3.169 247 HB2 GLU 33 HB2 GLU 33 1.833 -1.227 -2.392 248 HB3 GLU 33 HB3 GLU 33 1.518 -0.087 -1.085 249 HG2 GLU 33 HG2 GLU 33 -0.021 0.369 -2.914 250 HG3 GLU 33 HG3 GLU 33 1.125 1.696 -2.795 251 H ILE 34 H ILE 34 5.293 0.885 -0.533 252 HA ILE 34 HA ILE 34 3.917 3.195 0.622 253 HB ILE 34 HB ILE 34 5.677 3.200 2.318 254 HG12 ILE 34 HG12 ILE 34 6.872 0.796 0.889 255 HG13 ILE 34 HG13 ILE 34 7.506 2.424 0.712 256 HG21 ILE 34 HG21 ILE 34 4.328 0.571 1.687 257 HG22 ILE 34 HG22 ILE 34 3.898 1.768 2.909 258 HG23 ILE 34 HG23 ILE 34 5.324 0.757 3.130 259 HD11 ILE 34 HD11 ILE 34 7.953 2.557 3.110 260 HD12 ILE 34 HD12 ILE 34 8.729 1.120 2.445 261 HD13 ILE 34 HD13 ILE 34 7.229 0.969 3.359 262 H GLN 35 H GLN 35 5.221 5.166 1.062 263 HA GLN 35 HA GLN 35 6.183 6.297 -1.353 264 HB2 GLN 35 HB2 GLN 35 5.141 7.563 0.563 265 HB3 GLN 35 HB3 GLN 35 6.641 7.326 1.458 266 HG2 GLN 35 HG2 GLN 35 6.679 9.518 0.378 267 HG3 GLN 35 HG3 GLN 35 7.885 8.476 -0.370 268 HE21 GLN 35 HE21 GLN 35 7.888 8.816 -2.593 269 HE22 GLN 35 HE22 GLN 35 6.503 9.056 -3.544 270 H SER 36 H SER 36 8.273 6.845 -1.998 271 HA SER 36 HA SER 36 10.328 5.019 -1.517 272 HB2 SER 36 HB2 SER 36 10.316 6.445 -3.492 273 HB3 SER 36 HB3 SER 36 10.503 7.882 -2.492 274 HG SER 36 HG SER 36 12.352 6.006 -3.291 275 H GLY 37 H GLY 37 12.050 4.937 -0.151 276 HA2 GLY 37 HA2 GLY 37 13.521 5.583 1.546 277 HA3 GLY 37 HA3 GLY 37 12.687 7.132 1.648 278 H GLY 38 H GLY 38 12.966 6.602 4.029 279 HA2 GLY 38 HA2 GLY 38 11.916 6.161 6.038 280 HA3 GLY 38 HA3 GLY 38 10.462 5.783 5.118 281 H GLU 39 H GLU 39 13.642 4.238 4.874 282 HA GLU 39 HA GLU 39 12.645 1.611 4.807 283 HB2 GLU 39 HB2 GLU 39 15.384 2.699 5.473 284 HB3 GLU 39 HB3 GLU 39 15.040 0.974 5.329 285 HG2 GLU 39 HG2 GLU 39 14.341 1.238 3.030 286 HG3 GLU 39 HG3 GLU 39 14.427 2.991 3.152 287 H TYR 40 H TYR 40 13.838 3.586 7.495 288 HA TYR 40 HA TYR 40 13.876 1.581 9.487 289 HB2 TYR 40 HB2 TYR 40 13.373 4.555 9.707 290 HB3 TYR 40 HB3 TYR 40 13.645 3.485 11.081 291 HD1 TYR 40 HD1 TYR 40 15.184 5.121 8.171 292 HD2 TYR 40 HD2 TYR 40 15.835 2.434 11.458 293 HE1 TYR 40 HE1 TYR 40 17.637 5.313 7.845 294 HE2 TYR 40 HE2 TYR 40 18.285 2.625 11.131 295 HH TYR 40 HH TYR 40 19.745 4.979 9.520 296 H ALA 41 H ALA 41 11.332 3.737 8.317 297 HA ALA 41 HA ALA 41 9.381 3.275 10.251 298 HB1 ALA 41 HB1 ALA 41 8.595 3.514 7.374 299 HB2 ALA 41 HB2 ALA 41 9.436 4.860 8.142 300 HB3 ALA 41 HB3 ALA 41 7.898 4.294 8.795 301 H THR 42 H THR 42 8.003 1.700 10.673 302 HA THR 42 HA THR 42 7.811 -0.598 8.825 303 HB THR 42 HB THR 42 9.389 -1.179 10.617 304 HG1 THR 42 HG1 THR 42 6.949 -2.483 11.160 305 HG21 THR 42 HG21 THR 42 8.430 0.397 12.328 306 HG22 THR 42 HG22 THR 42 8.729 -1.227 12.946 307 HG23 THR 42 HG23 THR 42 7.088 -0.727 12.538 308 H LEU 43 H LEU 43 5.962 -2.108 9.612 309 HA LEU 43 HA LEU 43 3.695 -0.540 10.656 310 HB2 LEU 43 HB2 LEU 43 3.859 -2.015 8.046 311 HB3 LEU 43 HB3 LEU 43 2.326 -1.944 8.902 312 HG LEU 43 HG LEU 43 2.769 0.627 9.001 313 HD11 LEU 43 HD11 LEU 43 4.039 1.208 6.729 314 HD12 LEU 43 HD12 LEU 43 4.860 -0.316 7.061 315 HD13 LEU 43 HD13 LEU 43 4.926 0.999 8.233 316 HD21 LEU 43 HD21 LEU 43 2.026 -0.917 6.508 317 HD22 LEU 43 HD22 LEU 43 1.864 0.837 6.608 318 HD23 LEU 43 HD23 LEU 43 0.946 -0.196 7.701 319 H ALA 44 H ALA 44 2.128 -1.777 11.734 320 HA ALA 44 HA ALA 44 2.568 -4.655 12.063 321 HB1 ALA 44 HB1 ALA 44 2.849 -4.571 14.420 322 HB2 ALA 44 HB2 ALA 44 2.362 -2.879 14.499 323 HB3 ALA 44 HB3 ALA 44 3.921 -3.315 13.800 324 H ASP 45 H ASP 45 0.728 -4.721 14.422 325 HA ASP 45 HA ASP 45 -1.755 -4.571 12.936 326 HB2 ASP 45 HB2 ASP 45 -1.204 -5.465 15.775 327 HB3 ASP 45 HB3 ASP 45 -2.706 -5.705 14.887 328 H GLY 46 H GLY 46 -2.827 -2.696 12.841 329 HA2 GLY 46 HA2 GLY 46 -4.250 -1.074 13.830 330 HA3 GLY 46 HA3 GLY 46 -3.339 -1.214 15.325 331 H GLN 47 H GLN 47 -1.181 -0.986 12.760 332 HA GLN 47 HA GLN 47 -0.176 1.534 13.526 333 HB2 GLN 47 HB2 GLN 47 1.112 -0.301 12.438 334 HB3 GLN 47 HB3 GLN 47 0.271 0.043 10.930 335 HG2 GLN 47 HG2 GLN 47 2.466 1.137 10.968 336 HG3 GLN 47 HG3 GLN 47 1.181 2.334 10.945 337 HE21 GLN 47 HE21 GLN 47 1.787 4.047 12.283 338 HE22 GLN 47 HE22 GLN 47 2.538 3.878 13.797 339 H THR 48 H THR 48 -0.665 3.552 12.925 340 HA THR 48 HA THR 48 -2.939 4.064 11.224 341 HB THR 48 HB THR 48 -0.991 6.009 12.501 342 HG1 THR 48 HG1 THR 48 -2.592 6.103 14.116 343 HG21 THR 48 HG21 THR 48 -2.971 7.561 12.317 344 HG22 THR 48 HG22 THR 48 -3.769 6.337 11.329 345 HG23 THR 48 HG23 THR 48 -2.281 7.096 10.761 346 H VAL 49 H VAL 49 -2.942 4.633 9.118 347 HA VAL 49 HA VAL 49 -0.455 5.576 7.875 348 HB VAL 49 HB VAL 49 -0.646 3.955 6.014 349 HG11 VAL 49 HG11 VAL 49 -0.439 2.650 8.743 350 HG12 VAL 49 HG12 VAL 49 0.857 3.552 7.958 351 HG13 VAL 49 HG13 VAL 49 0.268 2.051 7.243 352 HG21 VAL 49 HG21 VAL 49 -2.800 2.761 7.789 353 HG22 VAL 49 HG22 VAL 49 -2.051 1.902 6.445 354 HG23 VAL 49 HG23 VAL 49 -2.994 3.360 6.141 355 H GLU 50 H GLU 50 -0.768 6.185 5.581 356 HA GLU 50 HA GLU 50 -3.433 7.405 5.142 357 HB2 GLU 50 HB2 GLU 50 -0.639 8.360 4.490 358 HB3 GLU 50 HB3 GLU 50 -2.037 8.973 3.608 359 HG2 GLU 50 HG2 GLU 50 -3.025 9.837 5.616 360 HG3 GLU 50 HG3 GLU 50 -1.830 9.029 6.629 361 H TYR 51 H TYR 51 -4.423 6.963 3.186 362 HA TYR 51 HA TYR 51 -2.882 5.742 1.033 363 HB2 TYR 51 HB2 TYR 51 -4.255 3.714 0.929 364 HB3 TYR 51 HB3 TYR 51 -3.400 3.818 2.464 365 HD1 TYR 51 HD1 TYR 51 -6.670 3.920 0.809 366 HD2 TYR 51 HD2 TYR 51 -4.609 4.399 4.547 367 HE1 TYR 51 HE1 TYR 51 -8.831 3.787 2.017 368 HE2 TYR 51 HE2 TYR 51 -6.769 4.264 5.754 369 HH TYR 51 HH TYR 51 -9.575 4.796 4.570 370 H GLU 52 H GLU 52 -4.129 5.339 -0.899 371 HA GLU 52 HA GLU 52 -6.487 7.114 -1.144 372 HB2 GLU 52 HB2 GLU 52 -4.456 7.964 -2.327 373 HB3 GLU 52 HB3 GLU 52 -4.413 6.472 -3.268 374 HG2 GLU 52 HG2 GLU 52 -6.647 6.963 -4.175 375 HG3 GLU 52 HG3 GLU 52 -6.725 8.436 -3.212 376 H VAL 53 H VAL 53 -8.305 6.125 -1.779 377 HA VAL 53 HA VAL 53 -8.317 3.283 -2.284 378 HB VAL 53 HB VAL 53 -10.067 4.369 -0.938 379 HG11 VAL 53 HG11 VAL 53 -10.085 6.472 -2.443 380 HG12 VAL 53 HG12 VAL 53 -11.623 5.915 -1.792 381 HG13 VAL 53 HG13 VAL 53 -11.198 5.566 -3.466 382 HG21 VAL 53 HG21 VAL 53 -11.980 3.231 -1.940 383 HG22 VAL 53 HG22 VAL 53 -10.530 2.251 -2.175 384 HG23 VAL 53 HG23 VAL 53 -11.177 3.205 -3.510 385 H GLY 54 H GLY 54 -7.688 2.526 -4.155 386 HA2 GLY 54 HA2 GLY 54 -8.430 3.917 -6.651 387 HA3 GLY 54 HA3 GLY 54 -7.100 2.768 -6.481 388 H GLN 55 H GLN 55 -8.416 1.913 -8.454 389 HA GLN 55 HA GLN 55 -10.366 -0.061 -7.419 390 HB2 GLN 55 HB2 GLN 55 -10.450 1.502 -10.010 391 HB3 GLN 55 HB3 GLN 55 -11.463 0.091 -9.687 392 HG2 GLN 55 HG2 GLN 55 -12.492 1.181 -7.790 393 HG3 GLN 55 HG3 GLN 55 -11.367 2.532 -7.894 394 HE21 GLN 55 HE21 GLN 55 -14.381 2.529 -8.144 395 HE22 GLN 55 HE22 GLN 55 -14.700 3.241 -9.651 396 H GLY 56 H GLY 56 -10.378 -2.094 -8.412 397 HA2 GLY 56 HA2 GLY 56 -8.322 -2.746 -10.383 398 HA3 GLY 56 HA3 GLY 56 -8.183 -3.521 -8.805 399 H GLN 57 H GLN 57 -8.476 -5.169 -10.908 400 HA GLN 57 HA GLN 57 -11.107 -5.769 -11.727 401 HB2 GLN 57 HB2 GLN 57 -8.619 -7.474 -11.521 402 HB3 GLN 57 HB3 GLN 57 -10.127 -8.042 -12.243 403 HG2 GLN 57 HG2 GLN 57 -10.064 -6.303 -13.914 404 HG3 GLN 57 HG3 GLN 57 -8.698 -5.522 -13.121 405 HE21 GLN 57 HE21 GLN 57 -8.878 -6.675 -15.909 406 HE22 GLN 57 HE22 GLN 57 -7.620 -7.812 -15.999 407 H LYS 58 H LYS 58 -9.149 -6.978 -9.018 408 HA LYS 58 HA LYS 58 -11.188 -8.788 -8.083 409 HB2 LYS 58 HB2 LYS 58 -8.736 -9.116 -7.685 410 HB3 LYS 58 HB3 LYS 58 -8.774 -7.735 -6.591 411 HG2 LYS 58 HG2 LYS 58 -10.431 -8.875 -5.176 412 HG3 LYS 58 HG3 LYS 58 -10.445 -10.249 -6.283 413 HD2 LYS 58 HD2 LYS 58 -8.043 -10.629 -5.842 414 HD3 LYS 58 HD3 LYS 58 -8.035 -9.264 -4.726 415 HE2 LYS 58 HE2 LYS 58 -9.713 -10.392 -3.316 416 HE3 LYS 58 HE3 LYS 58 -9.739 -11.756 -4.434 417 HZ1 LYS 58 HZ1 LYS 58 -8.268 -12.386 -2.758 418 HZ2 LYS 58 HZ2 LYS 58 -7.535 -10.855 -2.683 419 HZ3 LYS 58 HZ3 LYS 58 -7.253 -11.872 -4.014 420 H GLY 59 H GLY 59 -10.415 -5.430 -7.593 421 HA2 GLY 59 HA2 GLY 59 -12.651 -4.366 -6.689 422 HA3 GLY 59 HA3 GLY 59 -12.131 -5.200 -5.227 423 HA PRO 60 HA PRO 60 -10.236 -0.837 -5.482 424 HB2 PRO 60 HB2 PRO 60 -11.111 -0.818 -2.643 425 HB3 PRO 60 HB3 PRO 60 -11.224 0.458 -3.865 426 HG2 PRO 60 HG2 PRO 60 -13.367 -0.885 -3.111 427 HG3 PRO 60 HG3 PRO 60 -13.114 -0.429 -4.805 428 HD2 PRO 60 HD2 PRO 60 -12.727 -3.116 -3.500 429 HD3 PRO 60 HD3 PRO 60 -13.416 -2.733 -5.094 430 H CYS 61 H CYS 61 -8.402 -0.028 -4.370 431 HA CYS 61 HA CYS 61 -7.018 -1.825 -2.509 432 HB2 CYS 61 HB2 CYS 61 -4.952 -1.754 -3.827 433 HB3 CYS 61 HB3 CYS 61 -6.251 -2.479 -4.773 434 HG CYS 61 HG CYS 61 -5.934 -0.682 -6.438 435 H ALA 62 H ALA 62 -4.897 -0.673 -1.765 436 HA ALA 62 HA ALA 62 -5.412 2.241 -1.580 437 HB1 ALA 62 HB1 ALA 62 -4.040 1.641 0.732 438 HB2 ALA 62 HB2 ALA 62 -5.078 0.230 0.535 439 HB3 ALA 62 HB3 ALA 62 -5.787 1.842 0.612 440 H ASN 63 H ASN 63 -3.778 3.501 -2.196 441 HA ASN 63 HA ASN 63 -1.064 2.318 -2.366 442 HB2 ASN 63 HB2 ASN 63 -0.708 3.771 -4.359 443 HB3 ASN 63 HB3 ASN 63 -1.953 2.550 -4.611 444 HD21 ASN 63 HD21 ASN 63 -1.352 5.746 -5.215 445 HD22 ASN 63 HD22 ASN 63 -2.943 6.341 -5.210 446 H LYS 64 H LYS 64 0.567 4.283 -2.739 447 HA LYS 64 HA LYS 64 1.675 6.001 -1.692 448 HB2 LYS 64 HB2 LYS 64 -1.150 7.098 -1.558 449 HB3 LYS 64 HB3 LYS 64 0.300 8.034 -1.197 450 HG2 LYS 64 HG2 LYS 64 1.152 7.586 -3.476 451 HG3 LYS 64 HG3 LYS 64 -0.312 6.671 -3.838 452 HD2 LYS 64 HD2 LYS 64 -1.682 8.677 -3.448 453 HD3 LYS 64 HD3 LYS 64 -0.234 9.598 -3.045 454 HE2 LYS 64 HE2 LYS 64 -0.855 10.036 -5.369 455 HE3 LYS 64 HE3 LYS 64 0.659 9.136 -5.326 456 HZ1 LYS 64 HZ1 LYS 64 -0.446 7.148 -5.878 457 HZ2 LYS 64 HZ2 LYS 64 -1.056 8.322 -6.946 458 HZ3 LYS 64 HZ3 LYS 64 -1.980 7.820 -5.611 459 H VAL 65 H VAL 65 1.457 3.898 -0.105 460 HA VAL 65 HA VAL 65 0.127 4.385 2.385 461 HB VAL 65 HB VAL 65 2.324 2.412 1.700 462 HG11 VAL 65 HG11 VAL 65 1.447 1.161 3.676 463 HG12 VAL 65 HG12 VAL 65 0.401 2.533 4.042 464 HG13 VAL 65 HG13 VAL 65 2.152 2.718 4.115 465 HG21 VAL 65 HG21 VAL 65 0.643 0.843 1.188 466 HG22 VAL 65 HG22 VAL 65 0.076 2.320 0.412 467 HG23 VAL 65 HG23 VAL 65 -0.625 1.806 1.947 468 H VAL 66 H VAL 66 0.725 5.800 3.822 469 HA VAL 66 HA VAL 66 3.607 6.273 4.325 470 HB VAL 66 HB VAL 66 1.431 8.393 4.293 471 HG11 VAL 66 HG11 VAL 66 4.411 8.595 4.835 472 HG12 VAL 66 HG12 VAL 66 3.123 8.848 6.013 473 HG13 VAL 66 HG13 VAL 66 3.318 9.967 4.664 474 HG21 VAL 66 HG21 VAL 66 2.623 9.297 2.362 475 HG22 VAL 66 HG22 VAL 66 2.188 7.619 2.037 476 HG23 VAL 66 HG23 VAL 66 3.843 8.029 2.486 477 H ALA 67 H ALA 67 4.158 5.868 6.363 478 HA ALA 67 HA ALA 67 2.221 5.135 8.337 479 HB1 ALA 67 HB1 ALA 67 4.517 4.152 8.167 480 HB2 ALA 67 HB2 ALA 67 4.116 4.741 9.780 481 HB3 ALA 67 HB3 ALA 67 5.167 5.692 8.730 482 H VAL 68 H VAL 68 1.444 6.247 10.052 483 HA VAL 68 HA VAL 68 2.452 8.982 10.542 484 HB VAL 68 HB VAL 68 -0.490 8.232 10.414 485 HG11 VAL 68 HG11 VAL 68 -0.868 10.637 10.674 486 HG12 VAL 68 HG12 VAL 68 0.872 10.930 10.710 487 HG13 VAL 68 HG13 VAL 68 0.099 10.043 12.025 488 HG21 VAL 68 HG21 VAL 68 0.638 8.307 8.169 489 HG22 VAL 68 HG22 VAL 68 1.127 9.964 8.515 490 HG23 VAL 68 HG23 VAL 68 -0.583 9.563 8.374 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -7.676 12.923 -0.986 2 H2 MET 1 HT2 MET 1 -8.793 12.828 0.289 3 H3 MET 1 HT3 MET 1 -8.928 11.779 -1.041 4 HA MET 1 HA MET 1 -7.133 10.501 -0.420 5 HB2 MET 1 HB2 MET 1 -5.476 11.260 1.266 6 HB3 MET 1 HB3 MET 1 -5.556 12.353 -0.113 7 HG2 MET 1 HG2 MET 1 -7.043 13.860 1.180 8 HG3 MET 1 HG3 MET 1 -6.927 12.773 2.564 9 HE1 MET 1 HE1 MET 1 -6.088 14.708 4.117 10 HE2 MET 1 HE2 MET 1 -6.352 15.762 2.731 11 HE3 MET 1 HE3 MET 1 -4.844 15.868 3.636 12 H SER 2 H SER 2 -6.597 9.458 1.842 13 HA SER 2 HA SER 2 -8.658 9.780 3.854 14 HB2 SER 2 HB2 SER 2 -9.617 7.584 3.652 15 HB3 SER 2 HB3 SER 2 -9.723 8.356 2.076 16 HG SER 2 HG SER 2 -8.020 7.152 1.371 17 H LYS 3 H LYS 3 -8.378 8.054 5.588 18 HA LYS 3 HA LYS 3 -5.852 6.688 5.757 19 HB2 LYS 3 HB2 LYS 3 -4.963 7.963 7.676 20 HB3 LYS 3 HB3 LYS 3 -5.059 8.954 6.223 21 HG2 LYS 3 HG2 LYS 3 -7.194 9.921 7.023 22 HG3 LYS 3 HG3 LYS 3 -7.079 8.941 8.484 23 HD2 LYS 3 HD2 LYS 3 -4.889 10.862 7.672 24 HD3 LYS 3 HD3 LYS 3 -6.254 11.366 8.668 25 HE2 LYS 3 HE2 LYS 3 -4.373 9.083 9.344 26 HE3 LYS 3 HE3 LYS 3 -4.280 10.702 10.035 27 HZ1 LYS 3 HZ1 LYS 3 -6.721 10.298 10.648 28 HZ2 LYS 3 HZ2 LYS 3 -5.521 9.531 11.574 29 HZ3 LYS 3 HZ3 LYS 3 -6.373 8.657 10.393 30 H GLY 4 H GLY 4 -5.857 5.138 7.333 31 HA2 GLY 4 HA2 GLY 4 -7.998 5.137 9.341 32 HA3 GLY 4 HA3 GLY 4 -7.934 3.797 8.200 33 H ILE 5 H ILE 5 -7.642 2.420 10.055 34 HA ILE 5 HA ILE 5 -4.848 2.443 11.049 35 HB ILE 5 HB ILE 5 -5.756 1.182 13.048 36 HG12 ILE 5 HG12 ILE 5 -8.443 2.315 12.220 37 HG13 ILE 5 HG13 ILE 5 -7.981 0.664 11.821 38 HG21 ILE 5 HG21 ILE 5 -5.149 3.490 13.307 39 HG22 ILE 5 HG22 ILE 5 -6.720 3.293 14.083 40 HG23 ILE 5 HG23 ILE 5 -6.613 4.032 12.485 41 HD11 ILE 5 HD11 ILE 5 -7.841 1.737 14.646 42 HD12 ILE 5 HD12 ILE 5 -7.803 0.052 14.123 43 HD13 ILE 5 HD13 ILE 5 -9.297 0.981 13.999 44 H VAL 6 H VAL 6 -3.657 0.743 10.618 45 HA VAL 6 HA VAL 6 -4.585 -1.273 8.868 46 HB VAL 6 HB VAL 6 -2.017 -1.133 10.471 47 HG11 VAL 6 HG11 VAL 6 -1.205 -2.630 8.535 48 HG12 VAL 6 HG12 VAL 6 -2.910 -2.922 8.199 49 HG13 VAL 6 HG13 VAL 6 -2.225 -3.395 9.752 50 HG21 VAL 6 HG21 VAL 6 -2.576 0.749 8.813 51 HG22 VAL 6 HG22 VAL 6 -2.451 -0.472 7.547 52 HG23 VAL 6 HG23 VAL 6 -1.050 -0.095 8.548 53 H LYS 7 H LYS 7 -5.634 -3.065 9.277 54 HA LYS 7 HA LYS 7 -6.327 -3.941 11.893 55 HB2 LYS 7 HB2 LYS 7 -7.703 -4.381 9.844 56 HB3 LYS 7 HB3 LYS 7 -6.459 -5.500 9.291 57 HG2 LYS 7 HG2 LYS 7 -6.800 -6.920 11.246 58 HG3 LYS 7 HG3 LYS 7 -7.943 -5.764 11.926 59 HD2 LYS 7 HD2 LYS 7 -9.268 -7.481 10.914 60 HD3 LYS 7 HD3 LYS 7 -9.344 -6.102 9.819 61 HE2 LYS 7 HE2 LYS 7 -7.607 -7.099 8.400 62 HE3 LYS 7 HE3 LYS 7 -7.452 -8.456 9.516 63 HZ1 LYS 7 HZ1 LYS 7 -10.034 -7.762 8.257 64 HZ2 LYS 7 HZ2 LYS 7 -9.579 -9.221 8.997 65 HZ3 LYS 7 HZ3 LYS 7 -8.918 -8.784 7.493 66 H TRP 8 H TRP 8 -4.049 -5.098 9.431 67 HA TRP 8 HA TRP 8 -2.211 -6.084 11.410 68 HB2 TRP 8 HB2 TRP 8 -4.072 -7.885 11.121 69 HB3 TRP 8 HB3 TRP 8 -3.331 -8.179 9.551 70 HD1 TRP 8 HD1 TRP 8 -0.641 -8.806 9.619 71 HE1 TRP 8 HE1 TRP 8 0.649 -10.207 11.359 72 HE3 TRP 8 HE3 TRP 8 -3.926 -8.610 13.522 73 HZ2 TRP 8 HZ2 TRP 8 0.326 -11.127 14.047 74 HZ3 TRP 8 HZ3 TRP 8 -3.413 -9.759 15.656 75 HH2 TRP 8 HH2 TRP 8 -1.295 -11.017 15.924 76 H PHE 9 H PHE 9 -0.208 -5.837 10.579 77 HA PHE 9 HA PHE 9 0.050 -5.689 7.621 78 HB2 PHE 9 HB2 PHE 9 0.593 -3.599 8.946 79 HB3 PHE 9 HB3 PHE 9 1.946 -4.488 9.649 80 HD1 PHE 9 HD1 PHE 9 0.575 -2.994 6.576 81 HD2 PHE 9 HD2 PHE 9 3.866 -5.160 8.289 82 HE1 PHE 9 HE1 PHE 9 1.933 -2.523 4.556 83 HE2 PHE 9 HE2 PHE 9 5.225 -4.685 6.269 84 HZ PHE 9 HZ PHE 9 4.260 -3.368 4.404 85 H ASN 10 H ASN 10 1.090 -7.342 6.686 86 HA ASN 10 HA ASN 10 3.090 -8.837 8.286 87 HB2 ASN 10 HB2 ASN 10 1.204 -9.899 6.170 88 HB3 ASN 10 HB3 ASN 10 2.468 -10.835 6.965 89 HD21 ASN 10 HD21 ASN 10 -0.755 -10.570 7.077 90 HD22 ASN 10 HD22 ASN 10 -1.034 -10.754 8.741 91 H SER 11 H SER 11 4.869 -7.657 7.543 92 HA SER 11 HA SER 11 5.410 -7.024 4.860 93 HB2 SER 11 HB2 SER 11 7.703 -6.649 5.626 94 HB3 SER 11 HB3 SER 11 6.558 -5.990 6.789 95 HG SER 11 HG SER 11 7.269 -7.362 8.205 96 H ASP 12 H ASP 12 6.058 -9.932 6.765 97 HA ASP 12 HA ASP 12 7.904 -11.186 5.045 98 HB2 ASP 12 HB2 ASP 12 5.812 -12.335 6.908 99 HB3 ASP 12 HB3 ASP 12 7.001 -13.324 6.056 100 H LYS 13 H LYS 13 4.362 -11.215 5.125 101 HA LYS 13 HA LYS 13 4.068 -12.912 2.821 102 HB2 LYS 13 HB2 LYS 13 2.140 -11.095 4.288 103 HB3 LYS 13 HB3 LYS 13 1.679 -12.138 2.945 104 HG2 LYS 13 HG2 LYS 13 2.473 -14.112 4.193 105 HG3 LYS 13 HG3 LYS 13 2.933 -13.070 5.544 106 HD2 LYS 13 HD2 LYS 13 0.585 -12.351 5.793 107 HD3 LYS 13 HD3 LYS 13 0.122 -13.390 4.441 108 HE2 LYS 13 HE2 LYS 13 0.909 -15.367 5.688 109 HE3 LYS 13 HE3 LYS 13 1.380 -14.334 7.037 110 HZ1 LYS 13 HZ1 LYS 13 -1.002 -13.570 7.062 111 HZ2 LYS 13 HZ2 LYS 13 -0.737 -15.174 7.557 112 HZ3 LYS 13 HZ3 LYS 13 -1.348 -14.851 6.004 113 H GLY 14 H GLY 14 4.427 -9.504 3.423 114 HA2 GLY 14 HA2 GLY 14 5.170 -7.912 1.846 115 HA3 GLY 14 HA3 GLY 14 4.625 -8.969 0.552 116 H PHE 15 H PHE 15 2.224 -8.717 2.939 117 HA PHE 15 HA PHE 15 1.045 -6.254 1.978 118 HB2 PHE 15 HB2 PHE 15 -1.017 -7.282 1.108 119 HB3 PHE 15 HB3 PHE 15 0.396 -7.730 0.157 120 HD1 PHE 15 HD1 PHE 15 -2.097 -8.909 2.619 121 HD2 PHE 15 HD2 PHE 15 1.223 -10.009 0.125 122 HE1 PHE 15 HE1 PHE 15 -2.625 -11.307 2.974 123 HE2 PHE 15 HE2 PHE 15 0.699 -12.407 0.483 124 HZ PHE 15 HZ PHE 15 -1.225 -13.055 1.908 125 H GLY 16 H GLY 16 -1.248 -6.016 2.880 126 HA2 GLY 16 HA2 GLY 16 -1.820 -7.439 5.330 127 HA3 GLY 16 HA3 GLY 16 -1.257 -5.790 5.581 128 H PHE 17 H PHE 17 -3.671 -6.252 6.513 129 HA PHE 17 HA PHE 17 -5.564 -5.158 4.508 130 HB2 PHE 17 HB2 PHE 17 -6.106 -6.888 6.941 131 HB3 PHE 17 HB3 PHE 17 -7.353 -6.158 5.930 132 HD1 PHE 17 HD1 PHE 17 -4.671 -8.690 6.075 133 HD2 PHE 17 HD2 PHE 17 -7.816 -6.989 3.697 134 HE1 PHE 17 HE1 PHE 17 -4.530 -10.612 4.515 135 HE2 PHE 17 HE2 PHE 17 -7.676 -8.910 2.137 136 HZ PHE 17 HZ PHE 17 -6.032 -10.721 2.544 137 H ILE 18 H ILE 18 -6.615 -3.262 5.031 138 HA ILE 18 HA ILE 18 -5.961 -2.121 7.673 139 HB ILE 18 HB ILE 18 -4.885 -0.939 5.800 140 HG12 ILE 18 HG12 ILE 18 -7.078 0.817 6.916 141 HG13 ILE 18 HG13 ILE 18 -5.768 0.214 7.933 142 HG21 ILE 18 HG21 ILE 18 -7.638 -0.064 4.913 143 HG22 ILE 18 HG22 ILE 18 -6.856 -1.478 4.211 144 HG23 ILE 18 HG23 ILE 18 -6.103 0.109 4.063 145 HD11 ILE 18 HD11 ILE 18 -5.534 1.974 5.481 146 HD12 ILE 18 HD12 ILE 18 -4.152 1.181 6.232 147 HD13 ILE 18 HD13 ILE 18 -5.082 2.375 7.137 148 H THR 19 H THR 19 -7.468 -1.039 8.847 149 HA THR 19 HA THR 19 -10.251 -1.681 8.197 150 HB THR 19 HB THR 19 -9.035 -0.781 10.812 151 HG1 THR 19 HG1 THR 19 -9.390 -3.023 11.328 152 HG21 THR 19 HG21 THR 19 -11.742 -1.997 10.191 153 HG22 THR 19 HG22 THR 19 -11.462 -0.297 10.564 154 HG23 THR 19 HG23 THR 19 -11.155 -1.530 11.788 155 HA PRO 20 HA PRO 20 -10.377 2.770 6.977 156 HB2 PRO 20 HB2 PRO 20 -13.256 1.974 6.735 157 HB3 PRO 20 HB3 PRO 20 -12.261 2.930 5.619 158 HG2 PRO 20 HG2 PRO 20 -12.800 0.439 5.035 159 HG3 PRO 20 HG3 PRO 20 -11.154 1.054 4.805 160 HD2 PRO 20 HD2 PRO 20 -12.224 -0.685 7.006 161 HD3 PRO 20 HD3 PRO 20 -10.666 -0.779 6.151 162 H GLU 21 H GLU 21 -10.593 4.432 8.380 163 HA GLU 21 HA GLU 21 -11.610 4.118 10.995 164 HB2 GLU 21 HB2 GLU 21 -11.271 6.541 11.218 165 HB3 GLU 21 HB3 GLU 21 -9.889 5.780 10.430 166 HG2 GLU 21 HG2 GLU 21 -10.793 6.459 8.219 167 HG3 GLU 21 HG3 GLU 21 -12.146 7.245 9.021 168 H ASP 22 H ASP 22 -13.123 5.077 8.011 169 HA ASP 22 HA ASP 22 -15.457 6.280 9.186 170 HB2 ASP 22 HB2 ASP 22 -14.826 5.306 6.398 171 HB3 ASP 22 HB3 ASP 22 -16.363 6.045 6.835 172 H GLY 23 H GLY 23 -14.431 3.053 8.873 173 HA2 GLY 23 HA2 GLY 23 -15.591 1.206 9.771 174 HA3 GLY 23 HA3 GLY 23 -17.102 2.083 9.577 175 H SER 24 H SER 24 -15.221 2.328 6.758 176 HA SER 24 HA SER 24 -17.044 0.647 5.295 177 HB2 SER 24 HB2 SER 24 -15.902 1.399 3.315 178 HB3 SER 24 HB3 SER 24 -16.122 2.782 4.378 179 HG SER 24 HG SER 24 -13.960 2.374 3.383 180 H LYS 25 H LYS 25 -16.082 -0.885 3.628 181 HA LYS 25 HA LYS 25 -14.985 -3.092 4.954 182 HB2 LYS 25 HB2 LYS 25 -14.803 -4.119 2.721 183 HB3 LYS 25 HB3 LYS 25 -16.361 -3.330 2.955 184 HG2 LYS 25 HG2 LYS 25 -15.523 -1.340 1.727 185 HG3 LYS 25 HG3 LYS 25 -13.986 -2.167 1.461 186 HD2 LYS 25 HD2 LYS 25 -15.105 -3.927 0.193 187 HD3 LYS 25 HD3 LYS 25 -16.680 -3.209 0.534 188 HE2 LYS 25 HE2 LYS 25 -15.960 -2.560 -1.710 189 HE3 LYS 25 HE3 LYS 25 -15.963 -1.143 -0.661 190 HZ1 LYS 25 HZ1 LYS 25 -13.573 -1.487 -0.310 191 HZ2 LYS 25 HZ2 LYS 25 -13.950 -1.200 -1.941 192 HZ3 LYS 25 HZ3 LYS 25 -13.599 -2.776 -1.410 193 H ASP 26 H ASP 26 -12.994 -4.124 4.870 194 HA ASP 26 HA ASP 26 -10.709 -2.520 5.049 195 HB2 ASP 26 HB2 ASP 26 -11.066 -5.496 4.701 196 HB3 ASP 26 HB3 ASP 26 -9.497 -4.744 4.962 197 H LEU 27 H LEU 27 -8.963 -2.199 3.738 198 HA LEU 27 HA LEU 27 -9.311 -2.884 0.877 199 HB2 LEU 27 HB2 LEU 27 -7.994 -0.446 2.106 200 HB3 LEU 27 HB3 LEU 27 -8.036 -0.815 0.385 201 HG LEU 27 HG LEU 27 -10.534 -0.507 2.080 202 HD11 LEU 27 HD11 LEU 27 -10.704 1.720 0.871 203 HD12 LEU 27 HD12 LEU 27 -9.027 1.496 0.378 204 HD13 LEU 27 HD13 LEU 27 -9.431 1.633 2.089 205 HD21 LEU 27 HD21 LEU 27 -9.995 -0.648 -0.905 206 HD22 LEU 27 HD22 LEU 27 -11.537 -0.127 -0.229 207 HD23 LEU 27 HD23 LEU 27 -10.956 -1.768 0.059 208 H PHE 28 H PHE 28 -7.456 -3.436 -0.314 209 HA PHE 28 HA PHE 28 -5.425 -4.828 1.206 210 HB2 PHE 28 HB2 PHE 28 -5.912 -4.469 -1.756 211 HB3 PHE 28 HB3 PHE 28 -4.558 -5.393 -1.104 212 HD1 PHE 28 HD1 PHE 28 -8.242 -5.218 -1.388 213 HD2 PHE 28 HD2 PHE 28 -4.886 -7.546 -0.058 214 HE1 PHE 28 HE1 PHE 28 -9.720 -7.190 -1.115 215 HE2 PHE 28 HE2 PHE 28 -6.365 -9.517 0.219 216 HZ PHE 28 HZ PHE 28 -8.780 -9.340 -0.309 217 H VAL 29 H VAL 29 -3.413 -4.151 1.657 218 HA VAL 29 HA VAL 29 -2.307 -1.842 0.192 219 HB VAL 29 HB VAL 29 -2.315 -2.180 3.208 220 HG11 VAL 29 HG11 VAL 29 -1.032 -0.091 1.422 221 HG12 VAL 29 HG12 VAL 29 -0.200 -1.203 2.510 222 HG13 VAL 29 HG13 VAL 29 -1.214 0.083 3.167 223 HG21 VAL 29 HG21 VAL 29 -4.439 -1.346 2.079 224 HG22 VAL 29 HG22 VAL 29 -3.502 0.047 1.540 225 HG23 VAL 29 HG23 VAL 29 -3.731 -0.246 3.263 226 H HIS 30 H HIS 30 -0.207 -2.109 -0.391 227 HA HIS 30 HA HIS 30 1.152 -4.562 0.542 228 HB2 HIS 30 HB2 HIS 30 1.540 -2.947 -1.988 229 HB3 HIS 30 HB3 HIS 30 2.497 -4.358 -1.540 230 HD2 HIS 30 HD2 HIS 30 -0.764 -3.594 -3.375 231 HE1 HIS 30 HE1 HIS 30 -0.962 -7.677 -2.322 232 HE2 HIS 30 HE2 HIS 30 -2.033 -5.850 -3.724 233 H HIS 31 H HIS 31 3.314 -4.537 1.111 234 HA HIS 31 HA HIS 31 4.238 -2.311 2.590 235 HB2 HIS 31 HB2 HIS 31 4.915 -4.668 3.023 236 HB3 HIS 31 HB3 HIS 31 5.849 -4.652 1.525 237 HD2 HIS 31 HD2 HIS 31 6.115 -3.257 5.183 238 HE1 HIS 31 HE1 HIS 31 9.642 -2.186 3.128 239 HE2 HIS 31 HE2 HIS 31 8.506 -2.234 5.398 240 H SER 32 H SER 32 5.216 -3.597 -0.570 241 HA SER 32 HA SER 32 7.171 -1.585 -1.096 242 HB2 SER 32 HB2 SER 32 5.748 -3.514 -2.935 243 HB3 SER 32 HB3 SER 32 7.093 -2.486 -3.422 244 HG SER 32 HG SER 32 8.070 -4.308 -2.777 245 H GLU 33 H GLU 33 3.849 -1.266 -0.986 246 HA GLU 33 HA GLU 33 3.334 0.302 -3.306 247 HB2 GLU 33 HB2 GLU 33 1.622 -0.869 -1.859 248 HB3 GLU 33 HB3 GLU 33 1.853 0.418 -0.678 249 HG2 GLU 33 HG2 GLU 33 -0.058 0.949 -2.082 250 HG3 GLU 33 HG3 GLU 33 1.241 2.090 -2.407 251 H ILE 34 H ILE 34 4.661 1.054 -0.145 252 HA ILE 34 HA ILE 34 4.238 3.892 -0.311 253 HB ILE 34 HB ILE 34 4.493 2.705 1.851 254 HG12 ILE 34 HG12 ILE 34 6.782 4.657 1.501 255 HG13 ILE 34 HG13 ILE 34 5.097 5.176 1.476 256 HG21 ILE 34 HG21 ILE 34 7.458 2.509 1.328 257 HG22 ILE 34 HG22 ILE 34 6.385 1.196 0.854 258 HG23 ILE 34 HG23 ILE 34 6.490 1.679 2.545 259 HD11 ILE 34 HD11 ILE 34 5.881 5.437 3.740 260 HD12 ILE 34 HD12 ILE 34 6.564 3.810 3.749 261 HD13 ILE 34 HD13 ILE 34 4.814 4.032 3.722 262 H GLN 35 H GLN 35 5.657 5.498 -0.903 263 HA GLN 35 HA GLN 35 7.942 4.636 -2.559 264 HB2 GLN 35 HB2 GLN 35 6.141 6.043 -3.604 265 HB3 GLN 35 HB3 GLN 35 6.572 7.338 -2.488 266 HG2 GLN 35 HG2 GLN 35 8.854 7.385 -3.381 267 HG3 GLN 35 HG3 GLN 35 8.482 6.040 -4.455 268 HE21 GLN 35 HE21 GLN 35 9.192 9.008 -4.989 269 HE22 GLN 35 HE22 GLN 35 7.972 9.524 -6.049 270 H SER 36 H SER 36 9.924 4.896 -1.781 271 HA SER 36 HA SER 36 11.675 5.538 -0.444 272 HB2 SER 36 HB2 SER 36 10.224 8.194 -0.583 273 HB3 SER 36 HB3 SER 36 11.893 7.971 -0.069 274 HG SER 36 HG SER 36 11.405 8.510 -2.387 275 H GLY 37 H GLY 37 9.544 4.274 0.893 276 HA2 GLY 37 HA2 GLY 37 8.628 5.567 3.220 277 HA3 GLY 37 HA3 GLY 37 8.776 3.824 3.016 278 H GLY 38 H GLY 38 11.555 3.674 2.583 279 HA2 GLY 38 HA2 GLY 38 13.646 4.025 3.617 280 HA3 GLY 38 HA3 GLY 38 12.835 4.867 4.933 281 H GLU 39 H GLU 39 14.808 2.828 5.201 282 HA GLU 39 HA GLU 39 13.736 0.275 5.780 283 HB2 GLU 39 HB2 GLU 39 16.155 0.759 5.438 284 HB3 GLU 39 HB3 GLU 39 16.178 1.607 6.983 285 HG2 GLU 39 HG2 GLU 39 15.505 -0.458 8.142 286 HG3 GLU 39 HG3 GLU 39 15.441 -1.312 6.600 287 H TYR 40 H TYR 40 14.210 3.174 7.753 288 HA TYR 40 HA TYR 40 13.627 2.090 10.276 289 HB2 TYR 40 HB2 TYR 40 13.175 4.884 9.210 290 HB3 TYR 40 HB3 TYR 40 13.059 4.433 10.911 291 HD1 TYR 40 HD1 TYR 40 15.328 4.964 8.070 292 HD2 TYR 40 HD2 TYR 40 15.052 3.752 12.180 293 HE1 TYR 40 HE1 TYR 40 17.785 5.198 8.303 294 HE2 TYR 40 HE2 TYR 40 17.511 3.985 12.415 295 HH TYR 40 HH TYR 40 19.346 5.431 11.143 296 H ALA 41 H ALA 41 11.498 3.425 7.774 297 HA ALA 41 HA ALA 41 9.116 3.475 9.275 298 HB1 ALA 41 HB1 ALA 41 9.360 4.588 7.090 299 HB2 ALA 41 HB2 ALA 41 7.971 3.502 7.103 300 HB3 ALA 41 HB3 ALA 41 9.465 3.013 6.302 301 H THR 42 H THR 42 7.934 1.903 10.089 302 HA THR 42 HA THR 42 7.937 -0.755 8.804 303 HB THR 42 HB THR 42 7.972 -1.820 11.029 304 HG1 THR 42 HG1 THR 42 7.426 -0.505 12.563 305 HG21 THR 42 HG21 THR 42 10.377 -1.117 11.628 306 HG22 THR 42 HG22 THR 42 10.259 -0.004 10.265 307 HG23 THR 42 HG23 THR 42 10.102 -1.741 10.002 308 H LEU 43 H LEU 43 6.080 -2.096 9.445 309 HA LEU 43 HA LEU 43 3.769 -0.598 10.471 310 HB2 LEU 43 HB2 LEU 43 3.895 -2.040 7.823 311 HB3 LEU 43 HB3 LEU 43 2.378 -1.739 8.655 312 HG LEU 43 HG LEU 43 3.365 0.768 8.751 313 HD11 LEU 43 HD11 LEU 43 4.433 -0.120 6.072 314 HD12 LEU 43 HD12 LEU 43 5.463 -0.158 7.497 315 HD13 LEU 43 HD13 LEU 43 4.764 1.367 6.961 316 HD21 LEU 43 HD21 LEU 43 2.175 1.172 6.531 317 HD22 LEU 43 HD22 LEU 43 1.233 0.316 7.750 318 HD23 LEU 43 HD23 LEU 43 1.973 -0.576 6.421 319 H ALA 44 H ALA 44 2.276 -1.868 11.555 320 HA ALA 44 HA ALA 44 2.645 -4.771 11.648 321 HB1 ALA 44 HB1 ALA 44 3.244 -4.903 13.886 322 HB2 ALA 44 HB2 ALA 44 2.542 -3.334 14.277 323 HB3 ALA 44 HB3 ALA 44 4.080 -3.422 13.419 324 H ASP 45 H ASP 45 0.970 -4.936 14.126 325 HA ASP 45 HA ASP 45 -1.622 -4.658 12.844 326 HB2 ASP 45 HB2 ASP 45 -1.046 -6.699 14.109 327 HB3 ASP 45 HB3 ASP 45 -0.838 -5.738 15.565 328 H GLY 46 H GLY 46 -2.584 -2.704 12.913 329 HA2 GLY 46 HA2 GLY 46 -3.905 -1.155 14.188 330 HA3 GLY 46 HA3 GLY 46 -2.771 -1.330 15.518 331 H GLN 47 H GLN 47 -0.889 -1.078 12.806 332 HA GLN 47 HA GLN 47 0.107 1.483 13.418 333 HB2 GLN 47 HB2 GLN 47 1.340 -0.339 12.236 334 HB3 GLN 47 HB3 GLN 47 0.348 -0.039 10.810 335 HG2 GLN 47 HG2 GLN 47 2.497 1.121 10.611 336 HG3 GLN 47 HG3 GLN 47 1.188 2.285 10.731 337 HE21 GLN 47 HE21 GLN 47 1.811 4.001 12.056 338 HE22 GLN 47 HE22 GLN 47 2.756 3.855 13.459 339 H THR 48 H THR 48 -0.557 3.467 12.873 340 HA THR 48 HA THR 48 -2.936 3.806 11.240 341 HB THR 48 HB THR 48 -1.213 5.879 12.633 342 HG1 THR 48 HG1 THR 48 -2.051 4.647 14.205 343 HG21 THR 48 HG21 THR 48 -2.659 6.808 10.856 344 HG22 THR 48 HG22 THR 48 -3.227 7.294 12.455 345 HG23 THR 48 HG23 THR 48 -4.056 6.007 11.577 346 H VAL 49 H VAL 49 -2.974 4.375 9.152 347 HA VAL 49 HA VAL 49 -0.612 5.663 7.968 348 HB VAL 49 HB VAL 49 -0.663 4.129 6.028 349 HG11 VAL 49 HG11 VAL 49 -0.353 2.567 8.599 350 HG12 VAL 49 HG12 VAL 49 0.806 3.792 8.085 351 HG13 VAL 49 HG13 VAL 49 0.536 2.362 7.091 352 HG21 VAL 49 HG21 VAL 49 -1.875 1.941 6.333 353 HG22 VAL 49 HG22 VAL 49 -2.955 3.321 6.139 354 HG23 VAL 49 HG23 VAL 49 -2.681 2.637 7.739 355 H GLU 50 H GLU 50 -1.017 6.365 5.705 356 HA GLU 50 HA GLU 50 -3.801 7.339 5.380 357 HB2 GLU 50 HB2 GLU 50 -1.224 8.602 4.377 358 HB3 GLU 50 HB3 GLU 50 -2.848 9.248 4.158 359 HG2 GLU 50 HG2 GLU 50 -3.088 9.440 6.621 360 HG3 GLU 50 HG3 GLU 50 -1.446 8.835 6.816 361 H TYR 51 H TYR 51 -4.758 6.987 3.353 362 HA TYR 51 HA TYR 51 -3.131 5.935 1.175 363 HB2 TYR 51 HB2 TYR 51 -4.456 3.878 0.948 364 HB3 TYR 51 HB3 TYR 51 -3.605 3.923 2.484 365 HD1 TYR 51 HD1 TYR 51 -6.886 4.110 0.835 366 HD2 TYR 51 HD2 TYR 51 -4.820 4.268 4.598 367 HE1 TYR 51 HE1 TYR 51 -9.043 3.851 2.030 368 HE2 TYR 51 HE2 TYR 51 -6.979 4.008 5.793 369 HH TYR 51 HH TYR 51 -9.506 2.830 4.785 370 H GLU 52 H GLU 52 -4.359 5.537 -0.785 371 HA GLU 52 HA GLU 52 -6.825 7.157 -0.983 372 HB2 GLU 52 HB2 GLU 52 -4.554 6.992 -2.989 373 HB3 GLU 52 HB3 GLU 52 -6.084 7.829 -3.253 374 HG2 GLU 52 HG2 GLU 52 -5.607 9.290 -1.311 375 HG3 GLU 52 HG3 GLU 52 -4.067 8.466 -1.077 376 H VAL 53 H VAL 53 -8.492 6.131 -1.940 377 HA VAL 53 HA VAL 53 -8.412 3.351 -2.427 378 HB VAL 53 HB VAL 53 -10.463 4.593 -1.802 379 HG11 VAL 53 HG11 VAL 53 -10.030 6.590 -3.249 380 HG12 VAL 53 HG12 VAL 53 -11.662 5.947 -3.423 381 HG13 VAL 53 HG13 VAL 53 -10.447 5.616 -4.657 382 HG21 VAL 53 HG21 VAL 53 -11.986 3.348 -3.196 383 HG22 VAL 53 HG22 VAL 53 -10.534 2.367 -3.004 384 HG23 VAL 53 HG23 VAL 53 -10.805 3.257 -4.501 385 H GLY 54 H GLY 54 -8.550 2.171 -4.325 386 HA2 GLY 54 HA2 GLY 54 -8.003 3.496 -6.885 387 HA3 GLY 54 HA3 GLY 54 -6.834 2.307 -6.309 388 H GLN 55 H GLN 55 -8.184 1.901 -8.711 389 HA GLN 55 HA GLN 55 -10.261 -0.099 -8.073 390 HB2 GLN 55 HB2 GLN 55 -9.578 1.225 -10.710 391 HB3 GLN 55 HB3 GLN 55 -10.867 0.049 -10.462 392 HG2 GLN 55 HG2 GLN 55 -10.665 2.736 -9.066 393 HG3 GLN 55 HG3 GLN 55 -11.721 2.380 -10.428 394 HE21 GLN 55 HE21 GLN 55 -11.815 2.690 -7.137 395 HE22 GLN 55 HE22 GLN 55 -13.090 1.629 -6.784 396 H GLY 56 H GLY 56 -10.128 -2.182 -8.753 397 HA2 GLY 56 HA2 GLY 56 -7.785 -3.083 -10.269 398 HA3 GLY 56 HA3 GLY 56 -8.014 -3.745 -8.652 399 H GLN 57 H GLN 57 -8.032 -5.256 -11.092 400 HA GLN 57 HA GLN 57 -10.628 -5.831 -12.039 401 HB2 GLN 57 HB2 GLN 57 -8.103 -7.491 -11.957 402 HB3 GLN 57 HB3 GLN 57 -9.581 -8.005 -12.776 403 HG2 GLN 57 HG2 GLN 57 -9.526 -5.973 -14.167 404 HG3 GLN 57 HG3 GLN 57 -8.055 -5.449 -13.346 405 HE21 GLN 57 HE21 GLN 57 -6.506 -5.661 -15.017 406 HE22 GLN 57 HE22 GLN 57 -6.204 -7.115 -15.840 407 H LYS 58 H LYS 58 -8.700 -7.227 -9.414 408 HA LYS 58 HA LYS 58 -10.780 -9.130 -8.707 409 HB2 LYS 58 HB2 LYS 58 -8.353 -9.664 -8.488 410 HB3 LYS 58 HB3 LYS 58 -8.228 -8.436 -7.232 411 HG2 LYS 58 HG2 LYS 58 -9.881 -9.643 -5.864 412 HG3 LYS 58 HG3 LYS 58 -10.050 -10.862 -7.126 413 HD2 LYS 58 HD2 LYS 58 -7.660 -11.438 -6.893 414 HD3 LYS 58 HD3 LYS 58 -7.492 -10.226 -5.624 415 HE2 LYS 58 HE2 LYS 58 -9.155 -11.421 -4.253 416 HE3 LYS 58 HE3 LYS 58 -9.338 -12.631 -5.522 417 HZ1 LYS 58 HZ1 LYS 58 -6.671 -12.044 -4.427 418 HZ2 LYS 58 HZ2 LYS 58 -7.244 -13.469 -5.155 419 HZ3 LYS 58 HZ3 LYS 58 -7.721 -13.066 -3.574 420 H GLY 59 H GLY 59 -9.819 -5.911 -7.812 421 HA2 GLY 59 HA2 GLY 59 -12.075 -5.108 -6.520 422 HA3 GLY 59 HA3 GLY 59 -11.139 -5.876 -5.241 423 HA PRO 60 HA PRO 60 -9.598 -1.463 -5.987 424 HB2 PRO 60 HB2 PRO 60 -10.380 -0.230 -3.718 425 HB3 PRO 60 HB3 PRO 60 -11.465 -0.403 -5.114 426 HG2 PRO 60 HG2 PRO 60 -11.325 -2.035 -2.618 427 HG3 PRO 60 HG3 PRO 60 -12.741 -1.372 -3.457 428 HD2 PRO 60 HD2 PRO 60 -11.938 -3.976 -3.749 429 HD3 PRO 60 HD3 PRO 60 -12.768 -3.077 -5.039 430 H CYS 61 H CYS 61 -7.880 -0.371 -4.897 431 HA CYS 61 HA CYS 61 -6.585 -1.868 -2.706 432 HB2 CYS 61 HB2 CYS 61 -4.409 -1.546 -3.790 433 HB3 CYS 61 HB3 CYS 61 -5.490 -2.456 -4.846 434 HG CYS 61 HG CYS 61 -5.222 0.624 -5.269 435 H ALA 62 H ALA 62 -4.660 -0.433 -1.856 436 HA ALA 62 HA ALA 62 -5.535 2.389 -1.775 437 HB1 ALA 62 HB1 ALA 62 -4.317 1.802 0.709 438 HB2 ALA 62 HB2 ALA 62 -5.434 0.474 0.395 439 HB3 ALA 62 HB3 ALA 62 -6.021 2.134 0.405 440 H ASN 63 H ASN 63 -3.966 3.497 -2.795 441 HA ASN 63 HA ASN 63 -1.178 2.620 -2.539 442 HB2 ASN 63 HB2 ASN 63 -0.737 4.127 -4.421 443 HB3 ASN 63 HB3 ASN 63 -2.030 2.995 -4.811 444 HD21 ASN 63 HD21 ASN 63 -1.403 5.915 -5.705 445 HD22 ASN 63 HD22 ASN 63 -2.887 6.711 -5.492 446 H LYS 64 H LYS 64 0.403 4.597 -2.649 447 HA LYS 64 HA LYS 64 1.406 6.281 -1.461 448 HB2 LYS 64 HB2 LYS 64 -0.396 7.548 -2.670 449 HB3 LYS 64 HB3 LYS 64 -1.381 7.424 -1.213 450 HG2 LYS 64 HG2 LYS 64 0.342 8.588 0.082 451 HG3 LYS 64 HG3 LYS 64 1.382 8.670 -1.340 452 HD2 LYS 64 HD2 LYS 64 -0.381 9.987 -2.513 453 HD3 LYS 64 HD3 LYS 64 -1.335 9.979 -1.027 454 HE2 LYS 64 HE2 LYS 64 1.473 11.100 -1.266 455 HE3 LYS 64 HE3 LYS 64 -0.001 12.069 -1.287 456 HZ1 LYS 64 HZ1 LYS 64 -0.543 11.172 0.910 457 HZ2 LYS 64 HZ2 LYS 64 0.927 12.020 0.919 458 HZ3 LYS 64 HZ3 LYS 64 0.923 10.321 0.929 459 H VAL 65 H VAL 65 1.553 4.411 0.101 460 HA VAL 65 HA VAL 65 -0.035 4.660 2.527 461 HB VAL 65 HB VAL 65 2.317 2.849 1.887 462 HG11 VAL 65 HG11 VAL 65 1.999 3.179 4.318 463 HG12 VAL 65 HG12 VAL 65 1.550 1.543 3.838 464 HG13 VAL 65 HG13 VAL 65 0.298 2.743 4.153 465 HG21 VAL 65 HG21 VAL 65 -0.636 2.176 1.998 466 HG22 VAL 65 HG22 VAL 65 0.677 1.134 1.455 467 HG23 VAL 65 HG23 VAL 65 0.216 2.543 0.500 468 H VAL 66 H VAL 66 0.421 6.181 3.928 469 HA VAL 66 HA VAL 66 3.260 6.898 4.438 470 HB VAL 66 HB VAL 66 0.843 8.733 4.576 471 HG11 VAL 66 HG11 VAL 66 2.507 10.511 4.985 472 HG12 VAL 66 HG12 VAL 66 3.793 9.305 4.997 473 HG13 VAL 66 HG13 VAL 66 2.561 9.292 6.258 474 HG21 VAL 66 HG21 VAL 66 3.199 8.704 2.663 475 HG22 VAL 66 HG22 VAL 66 1.878 9.873 2.661 476 HG23 VAL 66 HG23 VAL 66 1.562 8.184 2.262 477 H ALA 67 H ALA 67 3.914 6.383 6.413 478 HA ALA 67 HA ALA 67 2.130 5.392 8.415 479 HB1 ALA 67 HB1 ALA 67 4.272 4.414 8.420 480 HB2 ALA 67 HB2 ALA 67 4.282 5.471 9.830 481 HB3 ALA 67 HB3 ALA 67 5.083 5.979 8.344 482 H VAL 68 H VAL 68 1.308 6.348 10.191 483 HA VAL 68 HA VAL 68 1.764 9.250 10.502 484 HB VAL 68 HB VAL 68 -0.525 7.560 11.568 485 HG11 VAL 68 HG11 VAL 68 -1.588 9.828 11.868 486 HG12 VAL 68 HG12 VAL 68 -0.027 10.551 11.480 487 HG13 VAL 68 HG13 VAL 68 -0.198 9.546 12.918 488 HG21 VAL 68 HG21 VAL 68 -0.517 9.513 9.243 489 HG22 VAL 68 HG22 VAL 68 -1.868 8.514 9.782 490 HG23 VAL 68 HG23 VAL 68 -0.448 7.760 9.055 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -8.808 11.815 -0.103 2 H2 MET 1 HT2 MET 1 -7.385 11.056 -0.636 3 H3 MET 1 HT3 MET 1 -7.543 12.744 -0.747 4 HA MET 1 HA MET 1 -6.163 11.706 1.170 5 HB2 MET 1 HB2 MET 1 -6.769 14.126 0.829 6 HB3 MET 1 HB3 MET 1 -8.255 13.831 1.732 7 HG2 MET 1 HG2 MET 1 -6.929 13.118 3.688 8 HG3 MET 1 HG3 MET 1 -5.441 13.404 2.787 9 HE1 MET 1 HE1 MET 1 -5.024 17.045 2.388 10 HE2 MET 1 HE2 MET 1 -5.957 16.174 1.173 11 HE3 MET 1 HE3 MET 1 -4.594 15.383 1.961 12 H SER 2 H SER 2 -6.408 10.009 2.467 13 HA SER 2 HA SER 2 -8.741 9.826 4.214 14 HB2 SER 2 HB2 SER 2 -9.425 8.520 2.257 15 HB3 SER 2 HB3 SER 2 -7.940 7.579 2.347 16 HG SER 2 HG SER 2 -8.636 6.998 4.509 17 H LYS 3 H LYS 3 -8.370 8.630 6.086 18 HA LYS 3 HA LYS 3 -5.690 7.465 6.455 19 HB2 LYS 3 HB2 LYS 3 -5.695 9.838 7.278 20 HB3 LYS 3 HB3 LYS 3 -6.955 9.387 8.426 21 HG2 LYS 3 HG2 LYS 3 -5.476 7.756 9.477 22 HG3 LYS 3 HG3 LYS 3 -4.229 8.059 8.267 23 HD2 LYS 3 HD2 LYS 3 -3.589 9.330 10.188 24 HD3 LYS 3 HD3 LYS 3 -4.256 10.494 9.046 25 HE2 LYS 3 HE2 LYS 3 -6.408 10.456 10.223 26 HE3 LYS 3 HE3 LYS 3 -5.795 9.234 11.338 27 HZ1 LYS 3 HZ1 LYS 3 -5.724 11.655 12.077 28 HZ2 LYS 3 HZ2 LYS 3 -4.424 11.826 10.998 29 HZ3 LYS 3 HZ3 LYS 3 -4.317 10.732 12.292 30 H GLY 4 H GLY 4 -5.877 5.489 7.273 31 HA2 GLY 4 HA2 GLY 4 -8.154 4.870 9.066 32 HA3 GLY 4 HA3 GLY 4 -7.710 3.792 7.746 33 H ILE 5 H ILE 5 -7.658 2.367 9.794 34 HA ILE 5 HA ILE 5 -4.902 2.420 10.888 35 HB ILE 5 HB ILE 5 -5.868 1.151 12.853 36 HG12 ILE 5 HG12 ILE 5 -8.537 2.243 11.920 37 HG13 ILE 5 HG13 ILE 5 -8.037 0.598 11.545 38 HG21 ILE 5 HG21 ILE 5 -6.677 3.997 12.232 39 HG22 ILE 5 HG22 ILE 5 -5.312 3.433 13.197 40 HG23 ILE 5 HG23 ILE 5 -6.955 3.268 13.815 41 HD11 ILE 5 HD11 ILE 5 -9.402 0.672 13.607 42 HD12 ILE 5 HD12 ILE 5 -8.236 1.779 14.333 43 HD13 ILE 5 HD13 ILE 5 -7.761 0.123 13.951 44 H VAL 6 H VAL 6 -3.673 0.731 10.537 45 HA VAL 6 HA VAL 6 -4.506 -1.317 8.765 46 HB VAL 6 HB VAL 6 -2.001 -1.128 10.462 47 HG11 VAL 6 HG11 VAL 6 -2.784 -2.934 8.162 48 HG12 VAL 6 HG12 VAL 6 -2.174 -3.400 9.749 49 HG13 VAL 6 HG13 VAL 6 -1.098 -2.633 8.583 50 HG21 VAL 6 HG21 VAL 6 -2.513 0.736 8.770 51 HG22 VAL 6 HG22 VAL 6 -2.329 -0.491 7.518 52 HG23 VAL 6 HG23 VAL 6 -0.971 -0.094 8.571 53 H LYS 7 H LYS 7 -5.558 -3.111 9.178 54 HA LYS 7 HA LYS 7 -6.325 -3.933 11.793 55 HB2 LYS 7 HB2 LYS 7 -7.630 -4.421 9.702 56 HB3 LYS 7 HB3 LYS 7 -6.377 -5.573 9.242 57 HG2 LYS 7 HG2 LYS 7 -6.804 -6.918 11.223 58 HG3 LYS 7 HG3 LYS 7 -7.937 -5.718 11.841 59 HD2 LYS 7 HD2 LYS 7 -9.280 -7.435 10.863 60 HD3 LYS 7 HD3 LYS 7 -9.300 -6.098 9.715 61 HE2 LYS 7 HE2 LYS 7 -7.553 -7.186 8.379 62 HE3 LYS 7 HE3 LYS 7 -7.462 -8.506 9.546 63 HZ1 LYS 7 HZ1 LYS 7 -8.844 -9.190 7.751 64 HZ2 LYS 7 HZ2 LYS 7 -9.780 -7.776 7.846 65 HZ3 LYS 7 HZ3 LYS 7 -9.846 -8.928 9.094 66 H TRP 8 H TRP 8 -3.953 -5.118 9.438 67 HA TRP 8 HA TRP 8 -2.192 -6.065 11.506 68 HB2 TRP 8 HB2 TRP 8 -4.035 -7.880 11.169 69 HB3 TRP 8 HB3 TRP 8 -3.222 -8.199 9.639 70 HD1 TRP 8 HD1 TRP 8 -0.634 -8.987 9.774 71 HE1 TRP 8 HE1 TRP 8 0.617 -10.287 11.617 72 HE3 TRP 8 HE3 TRP 8 -3.861 -8.320 13.671 73 HZ2 TRP 8 HZ2 TRP 8 0.289 -10.961 14.377 74 HZ3 TRP 8 HZ3 TRP 8 -3.373 -9.305 15.893 75 HH2 TRP 8 HH2 TRP 8 -1.304 -10.622 16.250 76 H PHE 9 H PHE 9 -0.176 -5.753 10.753 77 HA PHE 9 HA PHE 9 0.210 -5.679 7.806 78 HB2 PHE 9 HB2 PHE 9 0.688 -3.566 9.119 79 HB3 PHE 9 HB3 PHE 9 2.016 -4.434 9.888 80 HD1 PHE 9 HD1 PHE 9 0.763 -2.979 6.751 81 HD2 PHE 9 HD2 PHE 9 3.988 -5.131 8.603 82 HE1 PHE 9 HE1 PHE 9 2.196 -2.526 4.779 83 HE2 PHE 9 HE2 PHE 9 5.421 -4.674 6.632 84 HZ PHE 9 HZ PHE 9 4.526 -3.374 4.719 85 H ASN 10 H ASN 10 1.327 -7.317 6.927 86 HA ASN 10 HA ASN 10 3.301 -8.747 8.618 87 HB2 ASN 10 HB2 ASN 10 1.389 -9.913 6.583 88 HB3 ASN 10 HB3 ASN 10 2.715 -10.804 7.327 89 HD21 ASN 10 HD21 ASN 10 -0.375 -11.007 7.578 90 HD22 ASN 10 HD22 ASN 10 -0.628 -11.025 9.256 91 H SER 11 H SER 11 5.103 -7.642 7.821 92 HA SER 11 HA SER 11 5.616 -7.109 5.105 93 HB2 SER 11 HB2 SER 11 7.918 -6.716 5.827 94 HB3 SER 11 HB3 SER 11 6.790 -6.002 6.976 95 HG SER 11 HG SER 11 8.107 -8.512 7.196 96 H ASP 12 H ASP 12 6.273 -9.932 7.130 97 HA ASP 12 HA ASP 12 8.093 -11.289 5.480 98 HB2 ASP 12 HB2 ASP 12 7.260 -13.360 6.563 99 HB3 ASP 12 HB3 ASP 12 7.590 -12.082 7.733 100 H LYS 13 H LYS 13 4.552 -11.296 5.516 101 HA LYS 13 HA LYS 13 4.285 -13.032 3.237 102 HB2 LYS 13 HB2 LYS 13 2.340 -11.199 4.655 103 HB3 LYS 13 HB3 LYS 13 1.893 -12.254 3.315 104 HG2 LYS 13 HG2 LYS 13 2.667 -14.217 4.594 105 HG3 LYS 13 HG3 LYS 13 3.107 -13.163 5.940 106 HD2 LYS 13 HD2 LYS 13 0.769 -12.451 6.174 107 HD3 LYS 13 HD3 LYS 13 0.311 -13.456 4.798 108 HE2 LYS 13 HE2 LYS 13 -0.198 -14.638 6.878 109 HE3 LYS 13 HE3 LYS 13 1.112 -15.464 6.035 110 HZ1 LYS 13 HZ1 LYS 13 2.680 -14.671 7.516 111 HZ2 LYS 13 HZ2 LYS 13 1.356 -14.994 8.531 112 HZ3 LYS 13 HZ3 LYS 13 1.697 -13.399 8.055 113 H GLY 14 H GLY 14 4.687 -9.624 3.781 114 HA2 GLY 14 HA2 GLY 14 5.436 -8.060 2.187 115 HA3 GLY 14 HA3 GLY 14 4.897 -9.135 0.907 116 H PHE 15 H PHE 15 2.470 -8.836 3.260 117 HA PHE 15 HA PHE 15 1.324 -6.376 2.258 118 HB2 PHE 15 HB2 PHE 15 -0.726 -7.399 1.355 119 HB3 PHE 15 HB3 PHE 15 0.704 -7.868 0.439 120 HD1 PHE 15 HD1 PHE 15 -1.846 -8.999 2.859 121 HD2 PHE 15 HD2 PHE 15 1.515 -10.155 0.448 122 HE1 PHE 15 HE1 PHE 15 -2.398 -11.388 3.234 123 HE2 PHE 15 HE2 PHE 15 0.966 -12.544 0.826 124 HZ PHE 15 HZ PHE 15 -0.992 -13.159 2.219 125 H GLY 16 H GLY 16 -0.974 -6.112 3.110 126 HA2 GLY 16 HA2 GLY 16 -1.604 -7.508 5.568 127 HA3 GLY 16 HA3 GLY 16 -1.069 -5.845 5.794 128 H PHE 17 H PHE 17 -3.527 -6.353 6.650 129 HA PHE 17 HA PHE 17 -5.352 -5.337 4.546 130 HB2 PHE 17 HB2 PHE 17 -5.960 -6.983 7.020 131 HB3 PHE 17 HB3 PHE 17 -7.178 -6.309 5.939 132 HD1 PHE 17 HD1 PHE 17 -4.492 -8.808 6.292 133 HD2 PHE 17 HD2 PHE 17 -7.519 -7.208 3.698 134 HE1 PHE 17 HE1 PHE 17 -4.256 -10.776 4.803 135 HE2 PHE 17 HE2 PHE 17 -7.283 -9.177 2.210 136 HZ PHE 17 HZ PHE 17 -5.651 -10.961 2.761 137 H ILE 18 H ILE 18 -6.410 -3.430 4.937 138 HA ILE 18 HA ILE 18 -5.878 -2.161 7.545 139 HB ILE 18 HB ILE 18 -4.739 -1.053 5.681 140 HG12 ILE 18 HG12 ILE 18 -7.037 0.719 6.531 141 HG13 ILE 18 HG13 ILE 18 -5.786 0.218 7.670 142 HG21 ILE 18 HG21 ILE 18 -6.276 0.199 4.032 143 HG22 ILE 18 HG22 ILE 18 -7.543 -0.905 4.564 144 HG23 ILE 18 HG23 ILE 18 -6.091 -1.538 3.791 145 HD11 ILE 18 HD11 ILE 18 -5.160 2.370 6.719 146 HD12 ILE 18 HD12 ILE 18 -5.370 1.745 5.083 147 HD13 ILE 18 HD13 ILE 18 -4.067 1.133 6.098 148 H THR 19 H THR 19 -7.438 -1.078 8.621 149 HA THR 19 HA THR 19 -10.190 -1.747 7.872 150 HB THR 19 HB THR 19 -9.064 -0.863 10.533 151 HG1 THR 19 HG1 THR 19 -9.117 -3.009 11.040 152 HG21 THR 19 HG21 THR 19 -11.248 -1.798 11.376 153 HG22 THR 19 HG22 THR 19 -11.774 -1.938 9.700 154 HG23 THR 19 HG23 THR 19 -11.430 -0.350 10.385 155 HA PRO 20 HA PRO 20 -10.361 2.729 6.733 156 HB2 PRO 20 HB2 PRO 20 -13.218 1.909 6.356 157 HB3 PRO 20 HB3 PRO 20 -12.178 2.867 5.285 158 HG2 PRO 20 HG2 PRO 20 -12.715 0.372 4.686 159 HG3 PRO 20 HG3 PRO 20 -11.066 0.996 4.486 160 HD2 PRO 20 HD2 PRO 20 -12.157 -0.765 6.659 161 HD3 PRO 20 HD3 PRO 20 -10.581 -0.836 5.837 162 H GLU 21 H GLU 21 -10.703 4.366 8.181 163 HA GLU 21 HA GLU 21 -11.814 3.916 10.741 164 HB2 GLU 21 HB2 GLU 21 -11.565 6.335 11.078 165 HB3 GLU 21 HB3 GLU 21 -10.128 5.656 10.317 166 HG2 GLU 21 HG2 GLU 21 -10.893 6.432 8.118 167 HG3 GLU 21 HG3 GLU 21 -12.383 7.043 8.829 168 H ASP 22 H ASP 22 -13.209 5.108 7.757 169 HA ASP 22 HA ASP 22 -15.598 6.207 8.842 170 HB2 ASP 22 HB2 ASP 22 -14.880 5.192 6.090 171 HB3 ASP 22 HB3 ASP 22 -16.444 5.905 6.465 172 H GLY 23 H GLY 23 -14.572 2.956 8.303 173 HA2 GLY 23 HA2 GLY 23 -15.765 1.132 9.336 174 HA3 GLY 23 HA3 GLY 23 -17.268 1.979 9.001 175 H SER 24 H SER 24 -15.152 2.199 6.366 176 HA SER 24 HA SER 24 -16.806 0.574 4.698 177 HB2 SER 24 HB2 SER 24 -14.137 1.894 4.172 178 HB3 SER 24 HB3 SER 24 -15.130 1.118 2.948 179 HG SER 24 HG SER 24 -16.047 3.193 4.650 180 H LYS 25 H LYS 25 -15.811 -1.099 3.253 181 HA LYS 25 HA LYS 25 -14.863 -3.269 4.797 182 HB2 LYS 25 HB2 LYS 25 -14.982 -2.865 1.802 183 HB3 LYS 25 HB3 LYS 25 -14.585 -4.397 2.580 184 HG2 LYS 25 HG2 LYS 25 -16.771 -4.280 3.804 185 HG3 LYS 25 HG3 LYS 25 -17.172 -2.840 2.871 186 HD2 LYS 25 HD2 LYS 25 -16.450 -5.484 1.579 187 HD3 LYS 25 HD3 LYS 25 -18.108 -5.027 1.958 188 HE2 LYS 25 HE2 LYS 25 -17.849 -2.989 0.557 189 HE3 LYS 25 HE3 LYS 25 -16.212 -3.498 0.146 190 HZ1 LYS 25 HZ1 LYS 25 -17.085 -5.483 -0.860 191 HZ2 LYS 25 HZ2 LYS 25 -17.857 -4.131 -1.541 192 HZ3 LYS 25 HZ3 LYS 25 -18.665 -5.085 -0.389 193 H ASP 26 H ASP 26 -12.867 -4.344 4.774 194 HA ASP 26 HA ASP 26 -10.585 -2.740 4.917 195 HB2 ASP 26 HB2 ASP 26 -10.924 -5.730 4.654 196 HB3 ASP 26 HB3 ASP 26 -9.361 -4.962 4.911 197 H LEU 27 H LEU 27 -8.825 -2.447 3.611 198 HA LEU 27 HA LEU 27 -9.137 -3.213 0.765 199 HB2 LEU 27 HB2 LEU 27 -8.303 -0.665 2.099 200 HB3 LEU 27 HB3 LEU 27 -7.489 -1.094 0.598 201 HG LEU 27 HG LEU 27 -9.793 -1.394 -0.440 202 HD11 LEU 27 HD11 LEU 27 -10.570 -0.181 2.221 203 HD12 LEU 27 HD12 LEU 27 -11.204 -1.642 1.465 204 HD13 LEU 27 HD13 LEU 27 -11.602 -0.060 0.795 205 HD21 LEU 27 HD21 LEU 27 -8.582 0.591 -0.987 206 HD22 LEU 27 HD22 LEU 27 -8.848 1.282 0.614 207 HD23 LEU 27 HD23 LEU 27 -10.192 1.139 -0.519 208 H PHE 28 H PHE 28 -7.238 -3.748 -0.393 209 HA PHE 28 HA PHE 28 -5.260 -5.147 1.186 210 HB2 PHE 28 HB2 PHE 28 -5.631 -4.769 -1.792 211 HB3 PHE 28 HB3 PHE 28 -4.315 -5.711 -1.088 212 HD1 PHE 28 HD1 PHE 28 -7.952 -5.531 -1.640 213 HD2 PHE 28 HD2 PHE 28 -4.740 -7.824 0.058 214 HE1 PHE 28 HE1 PHE 28 -9.462 -7.486 -1.423 215 HE2 PHE 28 HE2 PHE 28 -6.252 -9.779 0.275 216 HZ PHE 28 HZ PHE 28 -8.614 -9.609 -0.466 217 H VAL 29 H VAL 29 -3.260 -4.502 1.693 218 HA VAL 29 HA VAL 29 -2.124 -2.123 0.362 219 HB VAL 29 HB VAL 29 -2.172 -2.676 3.342 220 HG11 VAL 29 HG11 VAL 29 -0.057 -1.656 2.844 221 HG12 VAL 29 HG12 VAL 29 -1.098 -0.360 3.432 222 HG13 VAL 29 HG13 VAL 29 -0.800 -0.537 1.703 223 HG21 VAL 29 HG21 VAL 29 -3.306 -0.294 1.885 224 HG22 VAL 29 HG22 VAL 29 -3.615 -0.804 3.542 225 HG23 VAL 29 HG23 VAL 29 -4.268 -1.737 2.195 226 H HIS 30 H HIS 30 -0.019 -2.357 -0.226 227 HA HIS 30 HA HIS 30 1.369 -4.825 0.629 228 HB2 HIS 30 HB2 HIS 30 1.623 -3.165 -1.886 229 HB3 HIS 30 HB3 HIS 30 2.709 -4.493 -1.471 230 HD2 HIS 30 HD2 HIS 30 1.656 -7.054 -1.928 231 HE1 HIS 30 HE1 HIS 30 -2.204 -5.822 -3.111 232 HE2 HIS 30 HE2 HIS 30 -0.641 -7.812 -2.913 233 H HIS 31 H HIS 31 3.551 -4.756 1.169 234 HA HIS 31 HA HIS 31 4.431 -2.535 2.682 235 HB2 HIS 31 HB2 HIS 31 5.173 -4.901 3.029 236 HB3 HIS 31 HB3 HIS 31 6.116 -4.785 1.544 237 HD2 HIS 31 HD2 HIS 31 6.346 -3.642 5.274 238 HE1 HIS 31 HE1 HIS 31 9.756 -2.160 3.276 239 HE2 HIS 31 HE2 HIS 31 8.665 -2.479 5.547 240 H SER 32 H SER 32 5.368 -3.714 -0.529 241 HA SER 32 HA SER 32 7.254 -1.616 -1.024 242 HB2 SER 32 HB2 SER 32 5.943 -3.608 -2.877 243 HB3 SER 32 HB3 SER 32 7.241 -2.514 -3.349 244 HG SER 32 HG SER 32 7.873 -4.681 -2.615 245 H GLU 33 H GLU 33 3.949 -1.404 -0.864 246 HA GLU 33 HA GLU 33 3.325 0.101 -3.204 247 HB2 GLU 33 HB2 GLU 33 1.665 -1.079 -1.722 248 HB3 GLU 33 HB3 GLU 33 1.912 0.196 -0.531 249 HG2 GLU 33 HG2 GLU 33 -0.049 0.731 -1.875 250 HG3 GLU 33 HG3 GLU 33 1.232 1.880 -2.239 251 H ILE 34 H ILE 34 4.725 0.946 -0.101 252 HA ILE 34 HA ILE 34 4.221 3.765 -0.304 253 HB ILE 34 HB ILE 34 4.548 2.638 1.867 254 HG12 ILE 34 HG12 ILE 34 6.820 4.594 1.451 255 HG13 ILE 34 HG13 ILE 34 5.135 5.111 1.422 256 HG21 ILE 34 HG21 ILE 34 6.385 1.098 0.913 257 HG22 ILE 34 HG22 ILE 34 6.609 1.702 2.553 258 HG23 ILE 34 HG23 ILE 34 7.490 2.438 1.215 259 HD11 ILE 34 HD11 ILE 34 5.859 5.428 3.675 260 HD12 ILE 34 HD12 ILE 34 6.654 3.854 3.717 261 HD13 ILE 34 HD13 ILE 34 4.894 3.951 3.694 262 H GLN 35 H GLN 35 5.218 5.174 -1.545 263 HA GLN 35 HA GLN 35 7.327 4.529 -3.310 264 HB2 GLN 35 HB2 GLN 35 5.616 6.334 -3.649 265 HB3 GLN 35 HB3 GLN 35 6.455 7.291 -2.430 266 HG2 GLN 35 HG2 GLN 35 7.206 7.968 -4.654 267 HG3 GLN 35 HG3 GLN 35 8.529 7.174 -3.804 268 HE21 GLN 35 HE21 GLN 35 9.652 5.855 -5.236 269 HE22 GLN 35 HE22 GLN 35 8.942 4.900 -6.446 270 H SER 36 H SER 36 7.272 6.188 -0.184 271 HA SER 36 HA SER 36 9.916 7.128 -0.140 272 HB2 SER 36 HB2 SER 36 8.096 6.281 2.120 273 HB3 SER 36 HB3 SER 36 9.633 7.110 2.348 274 HG SER 36 HG SER 36 7.260 8.017 1.122 275 H GLY 37 H GLY 37 8.544 4.010 0.799 276 HA2 GLY 37 HA2 GLY 37 9.805 1.974 0.521 277 HA3 GLY 37 HA3 GLY 37 11.271 2.882 0.879 278 H GLY 38 H GLY 38 10.645 0.510 2.187 279 HA2 GLY 38 HA2 GLY 38 9.744 1.336 4.874 280 HA3 GLY 38 HA3 GLY 38 9.768 -0.316 4.274 281 H GLU 39 H GLU 39 12.438 1.944 3.823 282 HA GLU 39 HA GLU 39 14.390 0.156 4.797 283 HB2 GLU 39 HB2 GLU 39 14.445 3.154 4.389 284 HB3 GLU 39 HB3 GLU 39 15.864 2.213 4.843 285 HG2 GLU 39 HG2 GLU 39 14.191 1.761 2.351 286 HG3 GLU 39 HG3 GLU 39 15.753 2.576 2.392 287 H TYR 40 H TYR 40 12.695 2.864 6.325 288 HA TYR 40 HA TYR 40 13.748 1.982 8.955 289 HB2 TYR 40 HB2 TYR 40 12.956 4.766 8.073 290 HB3 TYR 40 HB3 TYR 40 13.405 4.314 9.716 291 HD1 TYR 40 HD1 TYR 40 14.623 4.914 6.304 292 HD2 TYR 40 HD2 TYR 40 15.716 3.651 10.261 293 HE1 TYR 40 HE1 TYR 40 17.018 5.200 5.733 294 HE2 TYR 40 HE2 TYR 40 18.114 3.937 9.690 295 HH TYR 40 HH TYR 40 19.428 3.876 7.203 296 H ALA 41 H ALA 41 11.014 3.329 7.167 297 HA ALA 41 HA ALA 41 9.152 3.408 9.270 298 HB1 ALA 41 HB1 ALA 41 8.950 4.444 6.946 299 HB2 ALA 41 HB2 ALA 41 7.494 3.688 7.595 300 HB3 ALA 41 HB3 ALA 41 8.463 2.843 6.389 301 H THR 42 H THR 42 7.987 1.926 10.246 302 HA THR 42 HA THR 42 7.895 -0.821 9.132 303 HB THR 42 HB THR 42 7.979 -1.679 11.444 304 HG1 THR 42 HG1 THR 42 8.076 -0.353 13.111 305 HG21 THR 42 HG21 THR 42 10.075 -1.286 10.057 306 HG22 THR 42 HG22 THR 42 10.325 -1.356 11.803 307 HG23 THR 42 HG23 THR 42 10.302 0.203 10.978 308 H LEU 43 H LEU 43 6.023 -2.074 9.768 309 HA LEU 43 HA LEU 43 3.744 -0.537 10.801 310 HB2 LEU 43 HB2 LEU 43 3.831 -1.993 8.157 311 HB3 LEU 43 HB3 LEU 43 2.324 -1.644 8.991 312 HG LEU 43 HG LEU 43 3.397 0.836 9.073 313 HD11 LEU 43 HD11 LEU 43 4.386 -0.094 6.378 314 HD12 LEU 43 HD12 LEU 43 5.439 -0.172 7.787 315 HD13 LEU 43 HD13 LEU 43 4.788 1.379 7.260 316 HD21 LEU 43 HD21 LEU 43 1.931 -0.454 6.753 317 HD22 LEU 43 HD22 LEU 43 2.175 1.287 6.892 318 HD23 LEU 43 HD23 LEU 43 1.229 0.429 8.109 319 H ALA 44 H ALA 44 2.186 -1.791 11.836 320 HA ALA 44 HA ALA 44 2.545 -4.694 11.971 321 HB1 ALA 44 HB1 ALA 44 2.954 -4.793 14.286 322 HB2 ALA 44 HB2 ALA 44 2.415 -3.132 14.546 323 HB3 ALA 44 HB3 ALA 44 3.963 -3.445 13.759 324 H ASP 45 H ASP 45 0.774 -4.828 14.388 325 HA ASP 45 HA ASP 45 -1.759 -4.557 13.004 326 HB2 ASP 45 HB2 ASP 45 -1.254 -6.575 14.327 327 HB3 ASP 45 HB3 ASP 45 -1.090 -5.590 15.774 328 H GLY 46 H GLY 46 -2.730 -2.620 13.003 329 HA2 GLY 46 HA2 GLY 46 -4.095 -1.034 14.166 330 HA3 GLY 46 HA3 GLY 46 -3.038 -1.193 15.561 331 H GLN 47 H GLN 47 -1.058 -0.981 12.889 332 HA GLN 47 HA GLN 47 -0.097 1.608 13.537 333 HB2 GLN 47 HB2 GLN 47 1.241 -0.235 12.504 334 HB3 GLN 47 HB3 GLN 47 0.356 0.011 11.003 335 HG2 GLN 47 HG2 GLN 47 2.494 1.201 10.920 336 HG3 GLN 47 HG3 GLN 47 1.163 2.349 10.923 337 HE21 GLN 47 HE21 GLN 47 1.721 4.111 12.210 338 HE22 GLN 47 HE22 GLN 47 2.546 4.013 13.690 339 H THR 48 H THR 48 -0.731 3.572 12.858 340 HA THR 48 HA THR 48 -3.006 3.817 11.081 341 HB THR 48 HB THR 48 -2.753 6.257 11.534 342 HG1 THR 48 HG1 THR 48 -1.179 6.760 13.175 343 HG21 THR 48 HG21 THR 48 -4.184 5.176 13.045 344 HG22 THR 48 HG22 THR 48 -3.034 5.997 14.097 345 HG23 THR 48 HG23 THR 48 -2.871 4.267 13.796 346 H VAL 49 H VAL 49 -3.051 4.739 9.063 347 HA VAL 49 HA VAL 49 -0.596 5.727 7.855 348 HB VAL 49 HB VAL 49 -0.712 4.166 5.932 349 HG11 VAL 49 HG11 VAL 49 0.776 3.773 7.923 350 HG12 VAL 49 HG12 VAL 49 0.334 2.300 7.057 351 HG13 VAL 49 HG13 VAL 49 -0.468 2.705 8.574 352 HG21 VAL 49 HG21 VAL 49 -2.836 2.846 7.647 353 HG22 VAL 49 HG22 VAL 49 -2.020 2.024 6.316 354 HG23 VAL 49 HG23 VAL 49 -3.013 3.448 5.999 355 H GLU 50 H GLU 50 -0.974 6.384 5.547 356 HA GLU 50 HA GLU 50 -3.720 7.441 5.189 357 HB2 GLU 50 HB2 GLU 50 -1.092 8.677 4.302 358 HB3 GLU 50 HB3 GLU 50 -2.696 9.327 3.957 359 HG2 GLU 50 HG2 GLU 50 -3.121 9.550 6.384 360 HG3 GLU 50 HG3 GLU 50 -1.506 8.927 6.719 361 H TYR 51 H TYR 51 -4.668 7.050 3.199 362 HA TYR 51 HA TYR 51 -3.056 6.042 0.993 363 HB2 TYR 51 HB2 TYR 51 -4.274 3.910 0.823 364 HB3 TYR 51 HB3 TYR 51 -3.379 4.020 2.334 365 HD1 TYR 51 HD1 TYR 51 -6.722 4.025 0.786 366 HD2 TYR 51 HD2 TYR 51 -4.543 4.316 4.478 367 HE1 TYR 51 HE1 TYR 51 -8.823 3.677 2.054 368 HE2 TYR 51 HE2 TYR 51 -6.647 3.965 5.745 369 HH TYR 51 HH TYR 51 -9.325 2.696 4.544 370 H GLU 52 H GLU 52 -4.309 5.533 -0.924 371 HA GLU 52 HA GLU 52 -6.834 7.082 -1.087 372 HB2 GLU 52 HB2 GLU 52 -4.559 6.836 -3.064 373 HB3 GLU 52 HB3 GLU 52 -6.168 7.386 -3.539 374 HG2 GLU 52 HG2 GLU 52 -4.875 9.354 -3.052 375 HG3 GLU 52 HG3 GLU 52 -6.005 9.138 -1.721 376 H VAL 53 H VAL 53 -8.558 5.989 -1.815 377 HA VAL 53 HA VAL 53 -8.282 3.158 -2.393 378 HB VAL 53 HB VAL 53 -10.081 3.972 -0.918 379 HG11 VAL 53 HG11 VAL 53 -10.416 6.136 -2.255 380 HG12 VAL 53 HG12 VAL 53 -11.876 5.336 -1.670 381 HG13 VAL 53 HG13 VAL 53 -11.396 5.171 -3.360 382 HG21 VAL 53 HG21 VAL 53 -11.780 2.549 -1.756 383 HG22 VAL 53 HG22 VAL 53 -10.296 1.906 -2.459 384 HG23 VAL 53 HG23 VAL 53 -11.372 2.905 -3.434 385 H GLY 54 H GLY 54 -7.889 2.413 -4.339 386 HA2 GLY 54 HA2 GLY 54 -9.107 3.756 -6.680 387 HA3 GLY 54 HA3 GLY 54 -7.424 3.239 -6.702 388 H GLN 55 H GLN 55 -10.419 2.398 -7.704 389 HA GLN 55 HA GLN 55 -10.620 -0.353 -7.138 390 HB2 GLN 55 HB2 GLN 55 -11.710 1.329 -9.401 391 HB3 GLN 55 HB3 GLN 55 -12.120 -0.373 -9.171 392 HG2 GLN 55 HG2 GLN 55 -13.067 0.080 -6.992 393 HG3 GLN 55 HG3 GLN 55 -12.492 1.745 -7.037 394 HE21 GLN 55 HE21 GLN 55 -15.323 0.713 -6.843 395 HE22 GLN 55 HE22 GLN 55 -16.142 1.416 -8.155 396 H GLY 56 H GLY 56 -10.055 -2.151 -8.296 397 HA2 GLY 56 HA2 GLY 56 -8.274 -1.839 -10.615 398 HA3 GLY 56 HA3 GLY 56 -7.731 -2.781 -9.228 399 H GLN 57 H GLN 57 -7.628 -4.410 -11.068 400 HA GLN 57 HA GLN 57 -9.963 -5.506 -12.214 401 HB2 GLN 57 HB2 GLN 57 -7.226 -6.671 -11.678 402 HB3 GLN 57 HB3 GLN 57 -8.479 -7.517 -12.588 403 HG2 GLN 57 HG2 GLN 57 -8.565 -5.765 -14.240 404 HG3 GLN 57 HG3 GLN 57 -7.511 -4.734 -13.274 405 HE21 GLN 57 HE21 GLN 57 -7.082 -5.821 -16.062 406 HE22 GLN 57 HE22 GLN 57 -5.612 -6.665 -15.986 407 H LYS 58 H LYS 58 -8.186 -6.283 -9.240 408 HA LYS 58 HA LYS 58 -10.024 -8.437 -8.559 409 HB2 LYS 58 HB2 LYS 58 -7.690 -7.211 -7.079 410 HB3 LYS 58 HB3 LYS 58 -8.643 -8.567 -6.476 411 HG2 LYS 58 HG2 LYS 58 -8.069 -9.872 -8.489 412 HG3 LYS 58 HG3 LYS 58 -7.113 -8.520 -9.094 413 HD2 LYS 58 HD2 LYS 58 -5.652 -8.661 -7.111 414 HD3 LYS 58 HD3 LYS 58 -6.606 -10.015 -6.504 415 HE2 LYS 58 HE2 LYS 58 -6.034 -11.326 -8.512 416 HE3 LYS 58 HE3 LYS 58 -5.086 -9.974 -9.130 417 HZ1 LYS 58 HZ1 LYS 58 -3.683 -10.122 -7.156 418 HZ2 LYS 58 HZ2 LYS 58 -3.671 -11.578 -8.031 419 HZ3 LYS 58 HZ3 LYS 58 -4.580 -11.450 -6.601 420 H GLY 59 H GLY 59 -9.695 -5.040 -7.935 421 HA2 GLY 59 HA2 GLY 59 -12.014 -4.205 -7.120 422 HA3 GLY 59 HA3 GLY 59 -11.608 -5.155 -5.695 423 HA PRO 60 HA PRO 60 -10.094 -0.682 -5.160 424 HB2 PRO 60 HB2 PRO 60 -11.030 -1.303 -2.398 425 HB3 PRO 60 HB3 PRO 60 -11.232 0.178 -3.354 426 HG2 PRO 60 HG2 PRO 60 -13.267 -1.449 -2.998 427 HG3 PRO 60 HG3 PRO 60 -12.977 -0.697 -4.580 428 HD2 PRO 60 HD2 PRO 60 -12.373 -3.514 -3.694 429 HD3 PRO 60 HD3 PRO 60 -13.052 -2.943 -5.238 430 H CYS 61 H CYS 61 -8.245 0.010 -4.157 431 HA CYS 61 HA CYS 61 -6.793 -1.765 -2.338 432 HB2 CYS 61 HB2 CYS 61 -4.752 -1.677 -3.691 433 HB3 CYS 61 HB3 CYS 61 -6.054 -2.426 -4.612 434 HG CYS 61 HG CYS 61 -5.756 -0.644 -6.299 435 H ALA 62 H ALA 62 -4.705 -0.569 -1.593 436 HA ALA 62 HA ALA 62 -5.332 2.326 -1.388 437 HB1 ALA 62 HB1 ALA 62 -4.878 0.334 0.662 438 HB2 ALA 62 HB2 ALA 62 -5.381 2.012 0.832 439 HB3 ALA 62 HB3 ALA 62 -3.667 1.611 0.778 440 H ASN 63 H ASN 63 -3.851 3.671 -2.193 441 HA ASN 63 HA ASN 63 -1.114 2.642 -2.657 442 HB2 ASN 63 HB2 ASN 63 -2.700 4.642 -4.284 443 HB3 ASN 63 HB3 ASN 63 -1.028 4.173 -4.591 444 HD21 ASN 63 HD21 ASN 63 -3.736 3.693 -6.097 445 HD22 ASN 63 HD22 ASN 63 -3.686 2.032 -6.442 446 H LYS 64 H LYS 64 0.584 4.272 -2.646 447 HA LYS 64 HA LYS 64 1.780 5.938 -1.633 448 HB2 LYS 64 HB2 LYS 64 -0.897 7.348 -1.689 449 HB3 LYS 64 HB3 LYS 64 0.639 8.124 -1.311 450 HG2 LYS 64 HG2 LYS 64 1.513 7.542 -3.524 451 HG3 LYS 64 HG3 LYS 64 0.030 6.670 -3.906 452 HD2 LYS 64 HD2 LYS 64 -0.208 8.802 -4.946 453 HD3 LYS 64 HD3 LYS 64 -1.205 8.877 -3.494 454 HE2 LYS 64 HE2 LYS 64 0.100 10.924 -3.649 455 HE3 LYS 64 HE3 LYS 64 0.710 9.970 -2.299 456 HZ1 LYS 64 HZ1 LYS 64 1.888 9.679 -4.984 457 HZ2 LYS 64 HZ2 LYS 64 2.582 9.344 -3.471 458 HZ3 LYS 64 HZ3 LYS 64 2.372 10.953 -3.975 459 H VAL 65 H VAL 65 1.417 4.014 0.037 460 HA VAL 65 HA VAL 65 -0.049 4.632 2.418 461 HB VAL 65 HB VAL 65 2.212 2.652 1.970 462 HG11 VAL 65 HG11 VAL 65 1.220 1.502 3.963 463 HG12 VAL 65 HG12 VAL 65 0.164 2.897 4.198 464 HG13 VAL 65 HG13 VAL 65 1.912 3.077 4.349 465 HG21 VAL 65 HG21 VAL 65 0.061 2.438 0.562 466 HG22 VAL 65 HG22 VAL 65 -0.753 2.057 2.078 467 HG23 VAL 65 HG23 VAL 65 0.552 1.024 1.495 468 H VAL 66 H VAL 66 0.475 6.106 3.850 469 HA VAL 66 HA VAL 66 3.337 6.729 4.343 470 HB VAL 66 HB VAL 66 0.997 8.668 4.414 471 HG11 VAL 66 HG11 VAL 66 3.966 9.097 4.882 472 HG12 VAL 66 HG12 VAL 66 2.694 9.228 6.098 473 HG13 VAL 66 HG13 VAL 66 2.764 10.382 4.767 474 HG21 VAL 66 HG21 VAL 66 1.622 8.135 2.120 475 HG22 VAL 66 HG22 VAL 66 3.331 8.361 2.498 476 HG23 VAL 66 HG23 VAL 66 2.234 9.742 2.513 477 H ALA 67 H ALA 67 3.949 6.222 6.339 478 HA ALA 67 HA ALA 67 2.106 5.354 8.340 479 HB1 ALA 67 HB1 ALA 67 4.289 5.474 9.772 480 HB2 ALA 67 HB2 ALA 67 5.075 5.775 8.223 481 HB3 ALA 67 HB3 ALA 67 4.170 4.282 8.478 482 H VAL 68 H VAL 68 1.303 6.377 10.088 483 HA VAL 68 HA VAL 68 2.014 9.231 10.457 484 HB VAL 68 HB VAL 68 -0.649 7.895 11.060 485 HG11 VAL 68 HG11 VAL 68 -0.095 9.857 12.487 486 HG12 VAL 68 HG12 VAL 68 -1.444 10.193 11.402 487 HG13 VAL 68 HG13 VAL 68 0.162 10.822 11.034 488 HG21 VAL 68 HG21 VAL 68 -1.487 9.199 9.124 489 HG22 VAL 68 HG22 VAL 68 -0.245 8.049 8.628 490 HG23 VAL 68 HG23 VAL 68 0.153 9.758 8.797 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -5.591 14.216 1.686 2 H2 MET 1 HT2 MET 1 -6.280 13.843 3.192 3 H3 MET 1 HT3 MET 1 -7.276 14.242 1.875 4 HA MET 1 HA MET 1 -7.095 12.225 0.904 5 HB2 MET 1 HB2 MET 1 -5.104 10.768 1.173 6 HB3 MET 1 HB3 MET 1 -4.663 12.372 0.593 7 HG2 MET 1 HG2 MET 1 -4.090 13.029 2.928 8 HG3 MET 1 HG3 MET 1 -4.457 11.389 3.457 9 HE1 MET 1 HE1 MET 1 -2.366 12.680 0.103 10 HE2 MET 1 HE2 MET 1 -0.977 13.053 1.120 11 HE3 MET 1 HE3 MET 1 -2.544 13.765 1.490 12 H SER 2 H SER 2 -7.636 10.084 1.640 13 HA SER 2 HA SER 2 -8.940 10.063 4.174 14 HB2 SER 2 HB2 SER 2 -8.375 7.820 2.226 15 HB3 SER 2 HB3 SER 2 -9.439 7.693 3.624 16 HG SER 2 HG SER 2 -10.826 8.328 2.130 17 H LYS 3 H LYS 3 -8.521 8.770 5.990 18 HA LYS 3 HA LYS 3 -5.831 7.584 6.198 19 HB2 LYS 3 HB2 LYS 3 -5.790 9.893 7.151 20 HB3 LYS 3 HB3 LYS 3 -7.046 9.411 8.289 21 HG2 LYS 3 HG2 LYS 3 -5.526 7.614 9.137 22 HG3 LYS 3 HG3 LYS 3 -4.266 8.216 8.060 23 HD2 LYS 3 HD2 LYS 3 -5.626 9.977 10.113 24 HD3 LYS 3 HD3 LYS 3 -4.162 9.061 10.469 25 HE2 LYS 3 HE2 LYS 3 -3.018 10.195 8.574 26 HE3 LYS 3 HE3 LYS 3 -4.472 11.152 8.292 27 HZ1 LYS 3 HZ1 LYS 3 -4.184 12.330 10.217 28 HZ2 LYS 3 HZ2 LYS 3 -2.563 12.065 9.780 29 HZ3 LYS 3 HZ3 LYS 3 -3.291 11.106 10.979 30 H GLY 4 H GLY 4 -5.933 5.593 6.962 31 HA2 GLY 4 HA2 GLY 4 -8.181 4.827 8.737 32 HA3 GLY 4 HA3 GLY 4 -7.678 3.809 7.388 33 H ILE 5 H ILE 5 -7.677 2.525 9.665 34 HA ILE 5 HA ILE 5 -4.892 2.597 10.674 35 HB ILE 5 HB ILE 5 -5.833 1.343 12.664 36 HG12 ILE 5 HG12 ILE 5 -8.520 2.379 11.717 37 HG13 ILE 5 HG13 ILE 5 -7.998 0.735 11.368 38 HG21 ILE 5 HG21 ILE 5 -6.731 4.156 12.000 39 HG22 ILE 5 HG22 ILE 5 -5.308 3.663 12.917 40 HG23 ILE 5 HG23 ILE 5 -6.917 3.450 13.606 41 HD11 ILE 5 HD11 ILE 5 -9.306 0.687 13.408 42 HD12 ILE 5 HD12 ILE 5 -8.348 1.995 14.104 43 HD13 ILE 5 HD13 ILE 5 -7.619 0.410 13.841 44 H VAL 6 H VAL 6 -3.627 0.962 10.275 45 HA VAL 6 HA VAL 6 -4.402 -1.149 8.568 46 HB VAL 6 HB VAL 6 -1.894 -0.866 10.249 47 HG11 VAL 6 HG11 VAL 6 -2.652 -2.720 7.980 48 HG12 VAL 6 HG12 VAL 6 -1.982 -3.140 9.556 49 HG13 VAL 6 HG13 VAL 6 -0.968 -2.350 8.350 50 HG21 VAL 6 HG21 VAL 6 -0.907 0.182 8.339 51 HG22 VAL 6 HG22 VAL 6 -2.468 0.974 8.555 52 HG23 VAL 6 HG23 VAL 6 -2.269 -0.253 7.305 53 H LYS 7 H LYS 7 -5.433 -2.933 9.019 54 HA LYS 7 HA LYS 7 -6.110 -3.779 11.654 55 HB2 LYS 7 HB2 LYS 7 -7.513 -4.260 9.652 56 HB3 LYS 7 HB3 LYS 7 -6.255 -5.341 9.053 57 HG2 LYS 7 HG2 LYS 7 -6.501 -6.757 11.054 58 HG3 LYS 7 HG3 LYS 7 -7.732 -5.665 11.686 59 HD2 LYS 7 HD2 LYS 7 -9.169 -6.131 9.749 60 HD3 LYS 7 HD3 LYS 7 -7.933 -7.190 9.071 61 HE2 LYS 7 HE2 LYS 7 -9.620 -8.538 10.216 62 HE3 LYS 7 HE3 LYS 7 -8.093 -8.631 11.095 63 HZ1 LYS 7 HZ1 LYS 7 -10.335 -8.121 12.321 64 HZ2 LYS 7 HZ2 LYS 7 -9.995 -6.529 11.832 65 HZ3 LYS 7 HZ3 LYS 7 -8.887 -7.377 12.802 66 H TRP 8 H TRP 8 -3.825 -4.946 9.200 67 HA TRP 8 HA TRP 8 -1.984 -5.904 11.204 68 HB2 TRP 8 HB2 TRP 8 -3.825 -7.716 10.883 69 HB3 TRP 8 HB3 TRP 8 -3.070 -7.993 9.317 70 HD1 TRP 8 HD1 TRP 8 -0.660 -9.068 9.271 71 HE1 TRP 8 HE1 TRP 8 0.717 -10.320 11.055 72 HE3 TRP 8 HE3 TRP 8 -3.310 -7.838 13.457 73 HZ2 TRP 8 HZ2 TRP 8 0.697 -10.746 13.884 74 HZ3 TRP 8 HZ3 TRP 8 -2.613 -8.682 15.680 75 HH2 TRP 8 HH2 TRP 8 -0.615 -10.133 15.899 76 H PHE 9 H PHE 9 0.002 -5.530 10.398 77 HA PHE 9 HA PHE 9 0.313 -5.409 7.442 78 HB2 PHE 9 HB2 PHE 9 0.821 -3.319 8.786 79 HB3 PHE 9 HB3 PHE 9 2.176 -4.200 9.494 80 HD1 PHE 9 HD1 PHE 9 0.856 -2.603 6.471 81 HD2 PHE 9 HD2 PHE 9 4.074 -4.943 8.091 82 HE1 PHE 9 HE1 PHE 9 2.225 -2.106 4.466 83 HE2 PHE 9 HE2 PHE 9 5.445 -4.442 6.086 84 HZ PHE 9 HZ PHE 9 4.522 -3.024 4.274 85 H ASN 10 H ASN 10 1.455 -7.007 6.491 86 HA ASN 10 HA ASN 10 3.484 -8.432 8.115 87 HB2 ASN 10 HB2 ASN 10 1.395 -9.605 6.277 88 HB3 ASN 10 HB3 ASN 10 2.824 -10.497 6.790 89 HD21 ASN 10 HD21 ASN 10 0.106 -11.260 7.481 90 HD22 ASN 10 HD22 ASN 10 -0.043 -11.138 9.167 91 H SER 11 H SER 11 5.250 -7.369 7.216 92 HA SER 11 HA SER 11 5.634 -6.909 4.454 93 HB2 SER 11 HB2 SER 11 7.959 -6.476 5.061 94 HB3 SER 11 HB3 SER 11 6.881 -5.728 6.233 95 HG SER 11 HG SER 11 7.644 -7.011 7.713 96 H ASP 12 H ASP 12 6.234 -9.693 6.507 97 HA ASP 12 HA ASP 12 8.064 -11.113 4.908 98 HB2 ASP 12 HB2 ASP 12 7.381 -11.752 7.227 99 HB3 ASP 12 HB3 ASP 12 5.822 -12.268 6.591 100 H LYS 13 H LYS 13 4.522 -11.100 4.952 101 HA LYS 13 HA LYS 13 4.244 -12.830 2.670 102 HB2 LYS 13 HB2 LYS 13 2.301 -11.001 4.101 103 HB3 LYS 13 HB3 LYS 13 1.853 -12.066 2.771 104 HG2 LYS 13 HG2 LYS 13 2.643 -14.018 4.052 105 HG3 LYS 13 HG3 LYS 13 3.090 -12.957 5.390 106 HD2 LYS 13 HD2 LYS 13 0.741 -12.238 5.615 107 HD3 LYS 13 HD3 LYS 13 0.288 -13.297 4.276 108 HE2 LYS 13 HE2 LYS 13 1.071 -15.255 5.554 109 HE3 LYS 13 HE3 LYS 13 1.532 -14.200 6.891 110 HZ1 LYS 13 HZ1 LYS 13 -1.220 -14.441 5.801 111 HZ2 LYS 13 HZ2 LYS 13 -0.745 -13.536 7.158 112 HZ3 LYS 13 HZ3 LYS 13 -0.662 -15.232 7.195 113 H GLY 14 H GLY 14 4.676 -9.432 3.225 114 HA2 GLY 14 HA2 GLY 14 5.423 -7.873 1.620 115 HA3 GLY 14 HA3 GLY 14 4.830 -8.928 0.346 116 H PHE 15 H PHE 15 2.475 -8.597 2.768 117 HA PHE 15 HA PHE 15 1.345 -6.113 1.811 118 HB2 PHE 15 HB2 PHE 15 -0.753 -7.099 0.972 119 HB3 PHE 15 HB3 PHE 15 0.638 -7.581 0.006 120 HD1 PHE 15 HD1 PHE 15 -1.841 -8.697 2.511 121 HD2 PHE 15 HD2 PHE 15 1.406 -9.877 -0.041 122 HE1 PHE 15 HE1 PHE 15 -2.416 -11.081 2.882 123 HE2 PHE 15 HE2 PHE 15 0.835 -12.260 0.333 124 HZ PHE 15 HZ PHE 15 -1.077 -12.862 1.793 125 H GLY 16 H GLY 16 -0.954 -5.850 2.724 126 HA2 GLY 16 HA2 GLY 16 -1.479 -7.231 5.217 127 HA3 GLY 16 HA3 GLY 16 -0.958 -5.559 5.404 128 H PHE 17 H PHE 17 -3.389 -6.156 6.344 129 HA PHE 17 HA PHE 17 -5.299 -5.136 4.319 130 HB2 PHE 17 HB2 PHE 17 -5.800 -6.830 6.784 131 HB3 PHE 17 HB3 PHE 17 -7.062 -6.163 5.748 132 HD1 PHE 17 HD1 PHE 17 -4.360 -8.645 6.012 133 HD2 PHE 17 HD2 PHE 17 -7.418 -7.009 3.479 134 HE1 PHE 17 HE1 PHE 17 -4.136 -10.589 4.488 135 HE2 PHE 17 HE2 PHE 17 -7.194 -8.953 1.955 136 HZ PHE 17 HZ PHE 17 -5.553 -10.741 2.458 137 H ILE 18 H ILE 18 -6.325 -3.233 4.764 138 HA ILE 18 HA ILE 18 -5.806 -2.043 7.410 139 HB ILE 18 HB ILE 18 -4.579 -0.923 5.610 140 HG12 ILE 18 HG12 ILE 18 -6.837 0.907 6.451 141 HG13 ILE 18 HG13 ILE 18 -5.655 0.312 7.620 142 HG21 ILE 18 HG21 ILE 18 -5.905 -1.303 3.678 143 HG22 ILE 18 HG22 ILE 18 -6.014 0.432 3.966 144 HG23 ILE 18 HG23 ILE 18 -7.347 -0.625 4.433 145 HD11 ILE 18 HD11 ILE 18 -5.066 2.546 6.604 146 HD12 ILE 18 HD12 ILE 18 -4.897 1.725 5.050 147 HD13 ILE 18 HD13 ILE 18 -3.838 1.298 6.392 148 H THR 19 H THR 19 -7.378 -1.075 8.527 149 HA THR 19 HA THR 19 -10.110 -1.668 7.700 150 HB THR 19 HB THR 19 -9.024 -0.729 10.357 151 HG1 THR 19 HG1 THR 19 -9.736 -3.298 9.390 152 HG21 THR 19 HG21 THR 19 -11.412 -0.232 10.096 153 HG22 THR 19 HG22 THR 19 -11.204 -1.578 11.215 154 HG23 THR 19 HG23 THR 19 -11.716 -1.883 9.555 155 HA PRO 20 HA PRO 20 -10.337 2.781 6.478 156 HB2 PRO 20 HB2 PRO 20 -13.191 1.943 6.127 157 HB3 PRO 20 HB3 PRO 20 -12.152 2.872 5.029 158 HG2 PRO 20 HG2 PRO 20 -12.691 0.358 4.503 159 HG3 PRO 20 HG3 PRO 20 -11.044 0.982 4.271 160 HD2 PRO 20 HD2 PRO 20 -12.113 -0.725 6.502 161 HD3 PRO 20 HD3 PRO 20 -10.541 -0.809 5.670 162 H GLU 21 H GLU 21 -10.665 4.438 7.895 163 HA GLU 21 HA GLU 21 -11.747 4.070 10.467 164 HB2 GLU 21 HB2 GLU 21 -11.561 6.507 10.706 165 HB3 GLU 21 HB3 GLU 21 -10.117 5.838 9.948 166 HG2 GLU 21 HG2 GLU 21 -10.916 6.517 7.739 167 HG3 GLU 21 HG3 GLU 21 -12.431 7.087 8.431 168 H ASP 22 H ASP 22 -13.230 5.080 7.462 169 HA ASP 22 HA ASP 22 -15.631 6.159 8.554 170 HB2 ASP 22 HB2 ASP 22 -14.927 5.084 5.822 171 HB3 ASP 22 HB3 ASP 22 -16.500 5.774 6.203 172 H GLY 23 H GLY 23 -14.518 2.925 8.093 173 HA2 GLY 23 HA2 GLY 23 -15.639 1.085 9.168 174 HA3 GLY 23 HA3 GLY 23 -17.172 1.889 8.863 175 H SER 24 H SER 24 -15.137 2.130 6.171 176 HA SER 24 HA SER 24 -16.785 0.456 4.553 177 HB2 SER 24 HB2 SER 24 -14.154 1.830 3.979 178 HB3 SER 24 HB3 SER 24 -15.143 1.023 2.772 179 HG SER 24 HG SER 24 -15.957 2.992 2.668 180 H LYS 25 H LYS 25 -15.712 -1.165 3.052 181 HA LYS 25 HA LYS 25 -14.744 -3.347 4.565 182 HB2 LYS 25 HB2 LYS 25 -14.800 -2.864 1.580 183 HB3 LYS 25 HB3 LYS 25 -14.358 -4.403 2.322 184 HG2 LYS 25 HG2 LYS 25 -16.555 -4.496 3.441 185 HG3 LYS 25 HG3 LYS 25 -17.002 -2.963 2.693 186 HD2 LYS 25 HD2 LYS 25 -16.721 -3.981 0.454 187 HD3 LYS 25 HD3 LYS 25 -16.306 -5.519 1.212 188 HE2 LYS 25 HE2 LYS 25 -18.930 -4.050 1.612 189 HE3 LYS 25 HE3 LYS 25 -18.700 -5.419 0.523 190 HZ1 LYS 25 HZ1 LYS 25 -17.861 -6.652 2.535 191 HZ2 LYS 25 HZ2 LYS 25 -19.523 -6.307 2.518 192 HZ3 LYS 25 HZ3 LYS 25 -18.471 -5.378 3.475 193 H ASP 26 H ASP 26 -12.712 -4.365 4.566 194 HA ASP 26 HA ASP 26 -10.497 -2.735 4.885 195 HB2 ASP 26 HB2 ASP 26 -9.166 -4.788 4.880 196 HB3 ASP 26 HB3 ASP 26 -10.649 -5.006 5.799 197 H LEU 27 H LEU 27 -8.601 -2.406 3.670 198 HA LEU 27 HA LEU 27 -8.950 -2.686 0.743 199 HB2 LEU 27 HB2 LEU 27 -8.078 -0.418 2.469 200 HB3 LEU 27 HB3 LEU 27 -7.194 -0.628 0.968 201 HG LEU 27 HG LEU 27 -9.073 0.957 0.715 202 HD11 LEU 27 HD11 LEU 27 -8.312 -0.641 -1.139 203 HD12 LEU 27 HD12 LEU 27 -9.883 0.130 -1.342 204 HD13 LEU 27 HD13 LEU 27 -9.787 -1.546 -0.806 205 HD21 LEU 27 HD21 LEU 27 -10.922 -1.392 1.220 206 HD22 LEU 27 HD22 LEU 27 -11.378 0.288 0.938 207 HD23 LEU 27 HD23 LEU 27 -10.559 -0.163 2.432 208 H PHE 28 H PHE 28 -7.191 -3.307 -0.482 209 HA PHE 28 HA PHE 28 -5.155 -4.836 0.904 210 HB2 PHE 28 HB2 PHE 28 -5.734 -4.355 -2.026 211 HB3 PHE 28 HB3 PHE 28 -4.416 -5.377 -1.444 212 HD1 PHE 28 HD1 PHE 28 -8.072 -5.009 -1.717 213 HD2 PHE 28 HD2 PHE 28 -4.861 -7.504 -0.336 214 HE1 PHE 28 HE1 PHE 28 -9.658 -6.896 -1.443 215 HE2 PHE 28 HE2 PHE 28 -6.446 -9.392 -0.062 216 HZ PHE 28 HZ PHE 28 -8.844 -9.087 -0.615 217 H VAL 29 H VAL 29 -3.176 -4.160 1.404 218 HA VAL 29 HA VAL 29 -2.012 -1.874 -0.058 219 HB VAL 29 HB VAL 29 -2.050 -2.276 2.943 220 HG11 VAL 29 HG11 VAL 29 0.107 -1.379 2.480 221 HG12 VAL 29 HG12 VAL 29 -0.877 0.032 2.868 222 HG13 VAL 29 HG13 VAL 29 -0.513 -0.356 1.186 223 HG21 VAL 29 HG21 VAL 29 -4.090 -1.289 1.733 224 HG22 VAL 29 HG22 VAL 29 -3.053 0.088 1.358 225 HG23 VAL 29 HG23 VAL 29 -3.397 -0.324 3.036 226 H HIS 30 H HIS 30 0.062 -2.154 -0.668 227 HA HIS 30 HA HIS 30 1.444 -4.612 0.230 228 HB2 HIS 30 HB2 HIS 30 1.736 -3.041 -2.345 229 HB3 HIS 30 HB3 HIS 30 2.688 -4.462 -1.913 230 HD2 HIS 30 HD2 HIS 30 -0.651 -3.656 -3.607 231 HE1 HIS 30 HE1 HIS 30 -0.832 -7.742 -2.562 232 HE2 HIS 30 HE2 HIS 30 -1.954 -5.899 -3.902 233 H HIS 31 H HIS 31 3.757 -4.517 0.466 234 HA HIS 31 HA HIS 31 4.687 -2.305 1.970 235 HB2 HIS 31 HB2 HIS 31 5.581 -4.639 2.152 236 HB3 HIS 31 HB3 HIS 31 6.369 -4.414 0.588 237 HD2 HIS 31 HD2 HIS 31 6.827 -3.275 4.320 238 HE1 HIS 31 HE1 HIS 31 10.024 -1.675 2.070 239 HE2 HIS 31 HE2 HIS 31 9.113 -2.018 4.415 240 H SER 32 H SER 32 5.225 -3.320 -1.372 241 HA SER 32 HA SER 32 7.062 -1.341 -2.146 242 HB2 SER 32 HB2 SER 32 5.013 -2.862 -3.764 243 HB3 SER 32 HB3 SER 32 6.269 -1.846 -4.467 244 HG SER 32 HG SER 32 7.365 -3.653 -4.342 245 H GLU 33 H GLU 33 3.524 -1.336 -2.090 246 HA GLU 33 HA GLU 33 3.177 1.112 -3.503 247 HB2 GLU 33 HB2 GLU 33 1.380 -0.405 -1.606 248 HB3 GLU 33 HB3 GLU 33 0.874 1.045 -2.471 249 HG2 GLU 33 HG2 GLU 33 1.886 -1.503 -3.771 250 HG3 GLU 33 HG3 GLU 33 0.197 -1.016 -3.668 251 H ILE 34 H ILE 34 3.933 0.391 -0.172 252 HA ILE 34 HA ILE 34 3.365 3.165 0.633 253 HB ILE 34 HB ILE 34 2.489 1.420 2.119 254 HG12 ILE 34 HG12 ILE 34 4.869 2.729 3.474 255 HG13 ILE 34 HG13 ILE 34 3.417 3.618 3.030 256 HG21 ILE 34 HG21 ILE 34 4.064 -0.368 1.646 257 HG22 ILE 34 HG22 ILE 34 4.080 -0.036 3.377 258 HG23 ILE 34 HG23 ILE 34 5.388 0.556 2.354 259 HD11 ILE 34 HD11 ILE 34 2.179 1.709 4.363 260 HD12 ILE 34 HD12 ILE 34 2.947 3.029 5.240 261 HD13 ILE 34 HD13 ILE 34 3.760 1.472 5.103 262 H GLN 35 H GLN 35 4.915 4.608 1.046 263 HA GLN 35 HA GLN 35 7.663 3.940 0.353 264 HB2 GLN 35 HB2 GLN 35 6.529 6.045 -0.435 265 HB3 GLN 35 HB3 GLN 35 6.517 6.603 1.236 266 HG2 GLN 35 HG2 GLN 35 8.457 7.538 0.080 267 HG3 GLN 35 HG3 GLN 35 8.998 6.388 1.298 268 HE21 GLN 35 HE21 GLN 35 10.706 5.175 0.480 269 HE22 GLN 35 HE22 GLN 35 10.817 4.598 -1.112 270 H SER 36 H SER 36 9.262 3.584 1.771 271 HA SER 36 HA SER 36 8.694 3.994 4.645 272 HB2 SER 36 HB2 SER 36 10.595 2.081 3.274 273 HB3 SER 36 HB3 SER 36 10.441 2.268 5.018 274 HG SER 36 HG SER 36 8.360 1.524 4.899 275 H GLY 37 H GLY 37 10.009 5.207 5.875 276 HA2 GLY 37 HA2 GLY 37 11.713 7.133 4.723 277 HA3 GLY 37 HA3 GLY 37 11.608 6.759 6.441 278 H GLY 38 H GLY 38 12.384 4.038 6.310 279 HA2 GLY 38 HA2 GLY 38 14.834 3.627 4.933 280 HA3 GLY 38 HA3 GLY 38 15.152 4.191 6.570 281 H GLU 39 H GLU 39 16.192 2.021 6.690 282 HA GLU 39 HA GLU 39 14.748 -0.396 6.599 283 HB2 GLU 39 HB2 GLU 39 17.238 0.393 8.122 284 HB3 GLU 39 HB3 GLU 39 16.602 -1.251 8.095 285 HG2 GLU 39 HG2 GLU 39 18.177 -1.257 6.347 286 HG3 GLU 39 HG3 GLU 39 16.649 -1.010 5.510 287 H TYR 40 H TYR 40 15.309 1.916 9.220 288 HA TYR 40 HA TYR 40 14.216 0.398 11.336 289 HB2 TYR 40 HB2 TYR 40 14.358 3.393 10.941 290 HB3 TYR 40 HB3 TYR 40 13.905 2.607 12.452 291 HD1 TYR 40 HD1 TYR 40 16.657 3.331 10.128 292 HD2 TYR 40 HD2 TYR 40 15.541 1.311 13.750 293 HE1 TYR 40 HE1 TYR 40 19.052 3.055 10.710 294 HE2 TYR 40 HE2 TYR 40 17.936 1.035 14.334 295 HH TYR 40 HH TYR 40 20.245 2.629 13.416 296 H ALA 41 H ALA 41 12.753 2.631 9.008 297 HA ALA 41 HA ALA 41 10.197 2.823 10.144 298 HB1 ALA 41 HB1 ALA 41 10.802 2.800 7.182 299 HB2 ALA 41 HB2 ALA 41 11.110 4.190 8.223 300 HB3 ALA 41 HB3 ALA 41 9.460 3.602 8.000 301 H THR 42 H THR 42 8.596 1.442 10.354 302 HA THR 42 HA THR 42 8.238 -0.781 8.498 303 HB THR 42 HB THR 42 9.787 -1.697 10.179 304 HG1 THR 42 HG1 THR 42 8.392 -3.432 10.823 305 HG21 THR 42 HG21 THR 42 7.602 -1.004 12.166 306 HG22 THR 42 HG22 THR 42 9.197 -0.256 12.080 307 HG23 THR 42 HG23 THR 42 9.043 -1.955 12.524 308 H LEU 43 H LEU 43 6.288 -2.167 9.393 309 HA LEU 43 HA LEU 43 4.248 -0.448 10.619 310 HB2 LEU 43 HB2 LEU 43 3.974 -1.825 7.942 311 HB3 LEU 43 HB3 LEU 43 2.606 -1.226 8.874 312 HG LEU 43 HG LEU 43 4.139 1.018 8.889 313 HD11 LEU 43 HD11 LEU 43 5.856 -0.290 7.462 314 HD12 LEU 43 HD12 LEU 43 5.407 1.325 6.919 315 HD13 LEU 43 HD13 LEU 43 4.711 -0.094 6.138 316 HD21 LEU 43 HD21 LEU 43 2.700 1.891 7.196 317 HD22 LEU 43 HD22 LEU 43 1.763 0.639 8.010 318 HD23 LEU 43 HD23 LEU 43 2.502 0.308 6.444 319 H ALA 44 H ALA 44 2.528 -1.629 11.590 320 HA ALA 44 HA ALA 44 2.747 -4.553 11.651 321 HB1 ALA 44 HB1 ALA 44 4.213 -3.389 13.466 322 HB2 ALA 44 HB2 ALA 44 3.173 -4.727 13.951 323 HB3 ALA 44 HB3 ALA 44 2.677 -3.065 14.267 324 H ASP 45 H ASP 45 0.975 -4.608 14.104 325 HA ASP 45 HA ASP 45 -1.545 -4.259 12.712 326 HB2 ASP 45 HB2 ASP 45 -1.097 -6.282 14.056 327 HB3 ASP 45 HB3 ASP 45 -0.928 -5.286 15.494 328 H GLY 46 H GLY 46 -2.437 -2.285 12.694 329 HA2 GLY 46 HA2 GLY 46 -3.766 -0.678 13.905 330 HA3 GLY 46 HA3 GLY 46 -2.632 -0.804 15.240 331 H GLN 47 H GLN 47 -0.878 -0.688 12.377 332 HA GLN 47 HA GLN 47 0.261 1.834 12.911 333 HB2 GLN 47 HB2 GLN 47 1.349 -0.016 11.623 334 HB3 GLN 47 HB3 GLN 47 0.263 0.336 10.278 335 HG2 GLN 47 HG2 GLN 47 2.396 1.468 9.917 336 HG3 GLN 47 HG3 GLN 47 1.141 2.657 10.210 337 HE21 GLN 47 HE21 GLN 47 2.010 4.315 11.460 338 HE22 GLN 47 HE22 GLN 47 3.042 4.089 12.788 339 H THR 48 H THR 48 -0.280 3.839 12.340 340 HA THR 48 HA THR 48 -2.782 4.281 10.895 341 HB THR 48 HB THR 48 -0.929 6.266 12.252 342 HG1 THR 48 HG1 THR 48 -2.642 6.144 13.852 343 HG21 THR 48 HG21 THR 48 -2.779 7.812 12.123 344 HG22 THR 48 HG22 THR 48 -3.846 6.563 11.483 345 HG23 THR 48 HG23 THR 48 -2.517 7.176 10.499 346 H VAL 49 H VAL 49 -2.891 4.786 8.811 347 HA VAL 49 HA VAL 49 -0.623 6.152 7.516 348 HB VAL 49 HB VAL 49 -0.679 4.602 5.597 349 HG11 VAL 49 HG11 VAL 49 0.596 2.871 6.612 350 HG12 VAL 49 HG12 VAL 49 -0.288 2.999 8.132 351 HG13 VAL 49 HG13 VAL 49 0.824 4.275 7.650 352 HG21 VAL 49 HG21 VAL 49 -2.979 3.782 5.808 353 HG22 VAL 49 HG22 VAL 49 -2.586 3.015 7.346 354 HG23 VAL 49 HG23 VAL 49 -1.858 2.423 5.853 355 H GLU 50 H GLU 50 -1.200 6.858 5.256 356 HA GLU 50 HA GLU 50 -4.067 7.573 5.060 357 HB2 GLU 50 HB2 GLU 50 -1.668 9.229 4.217 358 HB3 GLU 50 HB3 GLU 50 -3.356 9.667 3.948 359 HG2 GLU 50 HG2 GLU 50 -3.746 9.661 6.388 360 HG3 GLU 50 HG3 GLU 50 -2.058 9.229 6.655 361 H TYR 51 H TYR 51 -5.029 7.050 3.152 362 HA TYR 51 HA TYR 51 -3.395 6.469 0.791 363 HB2 TYR 51 HB2 TYR 51 -4.348 4.210 0.521 364 HB3 TYR 51 HB3 TYR 51 -3.396 4.339 1.994 365 HD1 TYR 51 HD1 TYR 51 -6.799 4.055 0.605 366 HD2 TYR 51 HD2 TYR 51 -4.461 4.301 4.200 367 HE1 TYR 51 HE1 TYR 51 -8.770 3.352 1.935 368 HE2 TYR 51 HE2 TYR 51 -6.431 3.596 5.529 369 HH TYR 51 HH TYR 51 -9.594 3.496 4.215 370 H GLU 52 H GLU 52 -4.726 5.822 -1.096 371 HA GLU 52 HA GLU 52 -7.373 7.160 -1.055 372 HB2 GLU 52 HB2 GLU 52 -5.338 7.002 -3.295 373 HB3 GLU 52 HB3 GLU 52 -6.981 7.623 -3.481 374 HG2 GLU 52 HG2 GLU 52 -6.521 9.328 -1.744 375 HG3 GLU 52 HG3 GLU 52 -4.876 8.723 -1.592 376 H VAL 53 H VAL 53 -9.070 6.013 -1.799 377 HA VAL 53 HA VAL 53 -8.721 3.176 -2.250 378 HB VAL 53 HB VAL 53 -10.564 4.059 -0.865 379 HG11 VAL 53 HG11 VAL 53 -12.367 5.325 -1.750 380 HG12 VAL 53 HG12 VAL 53 -11.852 5.049 -3.414 381 HG13 VAL 53 HG13 VAL 53 -10.913 6.111 -2.364 382 HG21 VAL 53 HG21 VAL 53 -11.303 2.549 -3.382 383 HG22 VAL 53 HG22 VAL 53 -12.433 2.783 -2.047 384 HG23 VAL 53 HG23 VAL 53 -10.936 1.886 -1.789 385 H GLY 54 H GLY 54 -8.303 2.314 -4.126 386 HA2 GLY 54 HA2 GLY 54 -9.184 3.640 -6.615 387 HA3 GLY 54 HA3 GLY 54 -7.763 2.600 -6.482 388 H GLN 55 H GLN 55 -9.021 1.572 -8.367 389 HA GLN 55 HA GLN 55 -10.788 -0.527 -7.254 390 HB2 GLN 55 HB2 GLN 55 -11.107 0.996 -9.850 391 HB3 GLN 55 HB3 GLN 55 -11.982 -0.491 -9.475 392 HG2 GLN 55 HG2 GLN 55 -13.024 0.534 -7.548 393 HG3 GLN 55 HG3 GLN 55 -12.024 1.974 -7.712 394 HE21 GLN 55 HE21 GLN 55 -15.035 1.710 -7.845 395 HE22 GLN 55 HE22 GLN 55 -15.468 2.373 -9.346 396 H GLY 56 H GLY 56 -10.690 -2.567 -8.303 397 HA2 GLY 56 HA2 GLY 56 -8.823 -3.087 -10.431 398 HA3 GLY 56 HA3 GLY 56 -8.232 -3.622 -8.861 399 H GLN 57 H GLN 57 -8.471 -5.577 -10.572 400 HA GLN 57 HA GLN 57 -10.992 -6.803 -10.912 401 HB2 GLN 57 HB2 GLN 57 -8.186 -7.923 -10.881 402 HB3 GLN 57 HB3 GLN 57 -9.608 -8.887 -11.280 403 HG2 GLN 57 HG2 GLN 57 -10.140 -7.455 -13.150 404 HG3 GLN 57 HG3 GLN 57 -8.889 -6.304 -12.688 405 HE21 GLN 57 HE21 GLN 57 -9.160 -7.893 -15.242 406 HE22 GLN 57 HE22 GLN 57 -7.707 -8.760 -15.381 407 H LYS 58 H LYS 58 -8.559 -7.051 -8.360 408 HA LYS 58 HA LYS 58 -10.091 -9.062 -6.907 409 HB2 LYS 58 HB2 LYS 58 -7.501 -7.637 -6.261 410 HB3 LYS 58 HB3 LYS 58 -8.226 -8.892 -5.258 411 HG2 LYS 58 HG2 LYS 58 -8.158 -10.437 -7.231 412 HG3 LYS 58 HG3 LYS 58 -7.296 -9.191 -8.131 413 HD2 LYS 58 HD2 LYS 58 -6.306 -10.286 -5.485 414 HD3 LYS 58 HD3 LYS 58 -5.825 -10.960 -7.039 415 HE2 LYS 58 HE2 LYS 58 -4.974 -8.720 -7.719 416 HE3 LYS 58 HE3 LYS 58 -5.393 -8.100 -6.122 417 HZ1 LYS 58 HZ1 LYS 58 -3.181 -8.671 -5.900 418 HZ2 LYS 58 HZ2 LYS 58 -3.326 -10.066 -6.859 419 HZ3 LYS 58 HZ3 LYS 58 -3.965 -10.044 -5.286 420 H GLY 59 H GLY 59 -11.011 -6.159 -7.353 421 HA2 GLY 59 HA2 GLY 59 -12.604 -4.999 -6.046 422 HA3 GLY 59 HA3 GLY 59 -11.904 -5.713 -4.596 423 HA PRO 60 HA PRO 60 -10.448 -1.203 -5.294 424 HB2 PRO 60 HB2 PRO 60 -11.251 -1.067 -2.426 425 HB3 PRO 60 HB3 PRO 60 -11.459 0.136 -3.712 426 HG2 PRO 60 HG2 PRO 60 -13.509 -1.275 -2.864 427 HG3 PRO 60 HG3 PRO 60 -13.287 -0.937 -4.592 428 HD2 PRO 60 HD2 PRO 60 -12.732 -3.487 -3.083 429 HD3 PRO 60 HD3 PRO 60 -13.448 -3.272 -4.699 430 H CYS 61 H CYS 61 -8.579 -0.267 -4.499 431 HA CYS 61 HA CYS 61 -6.992 -1.813 -2.541 432 HB2 CYS 61 HB2 CYS 61 -5.008 -1.625 -3.965 433 HB3 CYS 61 HB3 CYS 61 -6.285 -2.492 -4.814 434 HG CYS 61 HG CYS 61 -5.010 -0.070 -5.887 435 H ALA 62 H ALA 62 -4.944 -0.483 -1.939 436 HA ALA 62 HA ALA 62 -5.708 2.375 -1.750 437 HB1 ALA 62 HB1 ALA 62 -5.831 1.827 0.459 438 HB2 ALA 62 HB2 ALA 62 -4.082 2.036 0.386 439 HB3 ALA 62 HB3 ALA 62 -4.788 0.423 0.278 440 H ASN 63 H ASN 63 -4.242 3.825 -2.511 441 HA ASN 63 HA ASN 63 -1.484 2.863 -3.001 442 HB2 ASN 63 HB2 ASN 63 -1.472 4.285 -5.032 443 HB3 ASN 63 HB3 ASN 63 -2.666 2.991 -5.130 444 HD21 ASN 63 HD21 ASN 63 -4.455 3.851 -6.206 445 HD22 ASN 63 HD22 ASN 63 -5.162 5.354 -5.855 446 H LYS 64 H LYS 64 0.037 4.775 -3.353 447 HA LYS 64 HA LYS 64 1.133 6.546 -2.388 448 HB2 LYS 64 HB2 LYS 64 -1.689 7.643 -2.425 449 HB3 LYS 64 HB3 LYS 64 -0.266 8.602 -2.013 450 HG2 LYS 64 HG2 LYS 64 0.725 7.955 -4.238 451 HG3 LYS 64 HG3 LYS 64 -0.804 7.180 -4.642 452 HD2 LYS 64 HD2 LYS 64 -0.602 10.093 -3.834 453 HD3 LYS 64 HD3 LYS 64 -0.522 9.559 -5.511 454 HE2 LYS 64 HE2 LYS 64 -2.745 8.470 -5.242 455 HE3 LYS 64 HE3 LYS 64 -2.827 9.088 -3.593 456 HZ1 LYS 64 HZ1 LYS 64 -2.286 10.972 -5.771 457 HZ2 LYS 64 HZ2 LYS 64 -3.103 11.221 -4.301 458 HZ3 LYS 64 HZ3 LYS 64 -3.872 10.405 -5.577 459 H VAL 65 H VAL 65 0.803 4.528 -0.683 460 HA VAL 65 HA VAL 65 -0.489 5.354 1.758 461 HB VAL 65 HB VAL 65 1.343 3.002 1.211 462 HG11 VAL 65 HG11 VAL 65 1.179 3.631 3.619 463 HG12 VAL 65 HG12 VAL 65 0.430 2.069 3.282 464 HG13 VAL 65 HG13 VAL 65 -0.575 3.499 3.509 465 HG21 VAL 65 HG21 VAL 65 -1.675 3.027 1.470 466 HG22 VAL 65 HG22 VAL 65 -0.651 1.705 0.914 467 HG23 VAL 65 HG23 VAL 65 -0.853 3.142 -0.086 468 H VAL 66 H VAL 66 0.329 6.592 3.233 469 HA VAL 66 HA VAL 66 3.269 6.785 3.551 470 HB VAL 66 HB VAL 66 2.429 8.787 2.376 471 HG11 VAL 66 HG11 VAL 66 0.928 10.356 3.572 472 HG12 VAL 66 HG12 VAL 66 0.723 9.163 4.854 473 HG13 VAL 66 HG13 VAL 66 0.138 8.819 3.226 474 HG21 VAL 66 HG21 VAL 66 3.328 10.482 3.960 475 HG22 VAL 66 HG22 VAL 66 4.344 9.044 3.879 476 HG23 VAL 66 HG23 VAL 66 3.264 9.284 5.251 477 H ALA 67 H ALA 67 4.019 6.603 5.576 478 HA ALA 67 HA ALA 67 2.292 5.719 7.660 479 HB1 ALA 67 HB1 ALA 67 5.222 6.448 7.619 480 HB2 ALA 67 HB2 ALA 67 4.514 4.833 7.563 481 HB3 ALA 67 HB3 ALA 67 4.401 5.795 9.037 482 H VAL 68 H VAL 68 1.372 6.761 9.282 483 HA VAL 68 HA VAL 68 0.423 8.560 10.371 484 HB VAL 68 HB VAL 68 2.043 9.772 11.792 485 HG11 VAL 68 HG11 VAL 68 2.794 7.849 13.015 486 HG12 VAL 68 HG12 VAL 68 2.781 6.846 11.563 487 HG13 VAL 68 HG13 VAL 68 1.261 7.408 12.261 488 HG21 VAL 68 HG21 VAL 68 3.827 9.908 9.983 489 HG22 VAL 68 HG22 VAL 68 4.187 8.215 10.323 490 HG23 VAL 68 HG23 VAL 68 4.414 9.433 11.577 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -10.143 13.412 4.334 2 H2 MET 1 HT2 MET 1 -10.495 11.749 4.367 3 H3 MET 1 HT3 MET 1 -9.386 12.363 3.236 4 HA MET 1 HA MET 1 -8.148 13.183 5.373 5 HB2 MET 1 HB2 MET 1 -10.030 12.322 6.816 6 HB3 MET 1 HB3 MET 1 -9.585 10.688 6.324 7 HG2 MET 1 HG2 MET 1 -7.318 11.025 7.237 8 HG3 MET 1 HG3 MET 1 -7.754 12.662 7.725 9 HE1 MET 1 HE1 MET 1 -10.806 12.346 8.978 10 HE2 MET 1 HE2 MET 1 -9.372 13.348 9.184 11 HE3 MET 1 HE3 MET 1 -10.035 12.478 10.565 12 H SER 2 H SER 2 -9.113 10.146 3.813 13 HA SER 2 HA SER 2 -7.908 8.429 2.884 14 HB2 SER 2 HB2 SER 2 -5.872 10.644 2.535 15 HB3 SER 2 HB3 SER 2 -5.831 9.087 1.715 16 HG SER 2 HG SER 2 -6.845 10.804 0.503 17 H LYS 3 H LYS 3 -7.856 8.502 5.646 18 HA LYS 3 HA LYS 3 -5.299 7.175 6.191 19 HB2 LYS 3 HB2 LYS 3 -5.088 9.558 6.946 20 HB3 LYS 3 HB3 LYS 3 -6.436 9.283 8.047 21 HG2 LYS 3 HG2 LYS 3 -5.127 7.414 9.091 22 HG3 LYS 3 HG3 LYS 3 -3.763 7.843 8.058 23 HD2 LYS 3 HD2 LYS 3 -5.083 9.835 9.916 24 HD3 LYS 3 HD3 LYS 3 -3.724 8.830 10.414 25 HE2 LYS 3 HE2 LYS 3 -2.385 9.746 8.529 26 HE3 LYS 3 HE3 LYS 3 -3.738 10.793 8.100 27 HZ1 LYS 3 HZ1 LYS 3 -1.905 11.734 9.591 28 HZ2 LYS 3 HZ2 LYS 3 -2.612 10.806 10.828 29 HZ3 LYS 3 HZ3 LYS 3 -3.516 12.012 10.043 30 H GLY 4 H GLY 4 -5.697 5.267 7.083 31 HA2 GLY 4 HA2 GLY 4 -8.075 4.929 8.810 32 HA3 GLY 4 HA3 GLY 4 -7.677 3.753 7.557 33 H ILE 5 H ILE 5 -7.748 2.388 9.643 34 HA ILE 5 HA ILE 5 -5.041 2.378 10.857 35 HB ILE 5 HB ILE 5 -6.135 1.165 12.792 36 HG12 ILE 5 HG12 ILE 5 -8.726 2.309 11.709 37 HG13 ILE 5 HG13 ILE 5 -8.251 0.645 11.385 38 HG21 ILE 5 HG21 ILE 5 -7.160 3.303 13.700 39 HG22 ILE 5 HG22 ILE 5 -6.907 4.011 12.104 40 HG23 ILE 5 HG23 ILE 5 -5.526 3.470 13.058 41 HD11 ILE 5 HD11 ILE 5 -8.489 1.851 14.158 42 HD12 ILE 5 HD12 ILE 5 -8.155 0.162 13.777 43 HD13 ILE 5 HD13 ILE 5 -9.730 0.858 13.391 44 H VAL 6 H VAL 6 -3.830 0.666 10.553 45 HA VAL 6 HA VAL 6 -4.655 -1.380 8.775 46 HB VAL 6 HB VAL 6 -2.188 -1.238 10.527 47 HG11 VAL 6 HG11 VAL 6 -1.296 -2.738 8.601 48 HG12 VAL 6 HG12 VAL 6 -2.994 -3.042 8.239 49 HG13 VAL 6 HG13 VAL 6 -2.335 -3.491 9.811 50 HG21 VAL 6 HG21 VAL 6 -1.093 -0.225 8.653 51 HG22 VAL 6 HG22 VAL 6 -2.610 0.652 8.848 52 HG23 VAL 6 HG23 VAL 6 -2.454 -0.566 7.583 53 H LYS 7 H LYS 7 -5.724 -3.166 9.163 54 HA LYS 7 HA LYS 7 -6.566 -3.972 11.762 55 HB2 LYS 7 HB2 LYS 7 -7.832 -4.443 9.648 56 HB3 LYS 7 HB3 LYS 7 -6.580 -5.605 9.205 57 HG2 LYS 7 HG2 LYS 7 -7.037 -6.872 11.294 58 HG3 LYS 7 HG3 LYS 7 -8.322 -5.733 11.689 59 HD2 LYS 7 HD2 LYS 7 -8.276 -7.305 9.102 60 HD3 LYS 7 HD3 LYS 7 -9.070 -7.898 10.558 61 HE2 LYS 7 HE2 LYS 7 -10.457 -5.825 10.610 62 HE3 LYS 7 HE3 LYS 7 -9.704 -5.313 9.100 63 HZ1 LYS 7 HZ1 LYS 7 -11.373 -7.723 9.548 64 HZ2 LYS 7 HZ2 LYS 7 -10.498 -7.436 8.120 65 HZ3 LYS 7 HZ3 LYS 7 -11.748 -6.381 8.580 66 H TRP 8 H TRP 8 -4.162 -5.190 9.459 67 HA TRP 8 HA TRP 8 -2.453 -6.166 11.559 68 HB2 TRP 8 HB2 TRP 8 -4.298 -7.951 11.180 69 HB3 TRP 8 HB3 TRP 8 -3.484 -8.261 9.650 70 HD1 TRP 8 HD1 TRP 8 -1.072 -9.355 9.730 71 HE1 TRP 8 HE1 TRP 8 0.199 -10.610 11.589 72 HE3 TRP 8 HE3 TRP 8 -3.926 -8.076 13.769 73 HZ2 TRP 8 HZ2 TRP 8 0.026 -11.021 14.414 74 HZ3 TRP 8 HZ3 TRP 8 -3.353 -8.916 16.028 75 HH2 TRP 8 HH2 TRP 8 -1.382 -10.385 16.356 76 H PHE 9 H PHE 9 -0.434 -5.765 10.842 77 HA PHE 9 HA PHE 9 0.015 -5.717 7.904 78 HB2 PHE 9 HB2 PHE 9 0.470 -3.603 9.243 79 HB3 PHE 9 HB3 PHE 9 1.797 -4.478 10.008 80 HD1 PHE 9 HD1 PHE 9 0.576 -2.944 6.908 81 HD2 PHE 9 HD2 PHE 9 3.748 -5.222 8.698 82 HE1 PHE 9 HE1 PHE 9 2.016 -2.483 4.943 83 HE2 PHE 9 HE2 PHE 9 5.187 -4.758 6.734 84 HZ PHE 9 HZ PHE 9 4.324 -3.389 4.856 85 H ASN 10 H ASN 10 1.188 -7.332 7.041 86 HA ASN 10 HA ASN 10 3.106 -8.761 8.791 87 HB2 ASN 10 HB2 ASN 10 1.179 -9.892 6.760 88 HB3 ASN 10 HB3 ASN 10 2.555 -10.801 7.384 89 HD21 ASN 10 HD21 ASN 10 -0.237 -11.537 7.821 90 HD22 ASN 10 HD22 ASN 10 -0.526 -11.444 9.492 91 H SER 11 H SER 11 4.911 -7.631 8.058 92 HA SER 11 HA SER 11 5.522 -7.092 5.366 93 HB2 SER 11 HB2 SER 11 7.792 -6.672 6.182 94 HB3 SER 11 HB3 SER 11 6.604 -5.962 7.269 95 HG SER 11 HG SER 11 7.343 -7.213 8.776 96 H ASP 12 H ASP 12 6.104 -9.929 7.389 97 HA ASP 12 HA ASP 12 8.032 -11.228 5.796 98 HB2 ASP 12 HB2 ASP 12 5.854 -12.328 7.588 99 HB3 ASP 12 HB3 ASP 12 7.064 -13.346 6.810 100 H LYS 13 H LYS 13 4.494 -11.256 5.701 101 HA LYS 13 HA LYS 13 4.320 -12.999 3.416 102 HB2 LYS 13 HB2 LYS 13 2.310 -11.178 4.763 103 HB3 LYS 13 HB3 LYS 13 1.922 -12.245 3.415 104 HG2 LYS 13 HG2 LYS 13 2.670 -14.194 4.728 105 HG3 LYS 13 HG3 LYS 13 3.055 -13.130 6.083 106 HD2 LYS 13 HD2 LYS 13 0.686 -12.419 6.190 107 HD3 LYS 13 HD3 LYS 13 0.306 -13.509 4.854 108 HE2 LYS 13 HE2 LYS 13 1.482 -14.379 7.513 109 HE3 LYS 13 HE3 LYS 13 -0.220 -14.515 7.073 110 HZ1 LYS 13 HZ1 LYS 13 0.705 -15.758 5.029 111 HZ2 LYS 13 HZ2 LYS 13 0.609 -16.574 6.516 112 HZ3 LYS 13 HZ3 LYS 13 2.099 -15.961 5.976 113 H GLY 14 H GLY 14 4.661 -9.587 3.987 114 HA2 GLY 14 HA2 GLY 14 5.458 -8.008 2.427 115 HA3 GLY 14 HA3 GLY 14 4.971 -9.081 1.121 116 H PHE 15 H PHE 15 2.473 -8.828 3.398 117 HA PHE 15 HA PHE 15 1.321 -6.373 2.395 118 HB2 PHE 15 HB2 PHE 15 -0.686 -7.417 1.414 119 HB3 PHE 15 HB3 PHE 15 0.779 -7.842 0.531 120 HD1 PHE 15 HD1 PHE 15 -1.828 -9.069 2.842 121 HD2 PHE 15 HD2 PHE 15 1.645 -10.110 0.540 122 HE1 PHE 15 HE1 PHE 15 -2.339 -11.474 3.159 123 HE2 PHE 15 HE2 PHE 15 1.136 -12.516 0.861 124 HZ PHE 15 HZ PHE 15 -0.857 -13.198 2.170 125 H GLY 16 H GLY 16 -1.018 -6.175 3.180 126 HA2 GLY 16 HA2 GLY 16 -1.704 -7.627 5.584 127 HA3 GLY 16 HA3 GLY 16 -1.177 -5.972 5.877 128 H PHE 17 H PHE 17 -3.647 -6.463 6.656 129 HA PHE 17 HA PHE 17 -5.415 -5.413 4.521 130 HB2 PHE 17 HB2 PHE 17 -6.104 -7.066 6.967 131 HB3 PHE 17 HB3 PHE 17 -7.286 -6.375 5.858 132 HD1 PHE 17 HD1 PHE 17 -4.716 -8.956 6.322 133 HD2 PHE 17 HD2 PHE 17 -7.489 -7.203 3.550 134 HE1 PHE 17 HE1 PHE 17 -4.458 -10.916 4.823 135 HE2 PHE 17 HE2 PHE 17 -7.232 -9.162 2.052 136 HZ PHE 17 HZ PHE 17 -5.716 -11.018 2.687 137 H ILE 18 H ILE 18 -6.413 -3.482 4.885 138 HA ILE 18 HA ILE 18 -5.963 -2.251 7.522 139 HB ILE 18 HB ILE 18 -4.700 -1.170 5.722 140 HG12 ILE 18 HG12 ILE 18 -6.972 0.671 6.492 141 HG13 ILE 18 HG13 ILE 18 -5.786 0.119 7.676 142 HG21 ILE 18 HG21 ILE 18 -6.102 0.146 4.016 143 HG22 ILE 18 HG22 ILE 18 -7.446 -0.895 4.486 144 HG23 ILE 18 HG23 ILE 18 -5.995 -1.597 3.772 145 HD11 ILE 18 HD11 ILE 18 -5.200 1.638 5.118 146 HD12 ILE 18 HD12 ILE 18 -3.973 0.995 6.204 147 HD13 ILE 18 HD13 ILE 18 -5.064 2.264 6.761 148 H THR 19 H THR 19 -7.540 -1.162 8.547 149 HA THR 19 HA THR 19 -10.268 -1.752 7.673 150 HB THR 19 HB THR 19 -9.242 -0.826 10.359 151 HG1 THR 19 HG1 THR 19 -9.989 -3.391 9.408 152 HG21 THR 19 HG21 THR 19 -11.591 -0.281 10.090 153 HG22 THR 19 HG22 THR 19 -11.474 -1.703 11.127 154 HG23 THR 19 HG23 THR 19 -11.931 -1.881 9.431 155 HA PRO 20 HA PRO 20 -10.303 2.693 6.411 156 HB2 PRO 20 HB2 PRO 20 -13.172 1.933 5.997 157 HB3 PRO 20 HB3 PRO 20 -12.088 2.838 4.923 158 HG2 PRO 20 HG2 PRO 20 -12.671 0.340 4.380 159 HG3 PRO 20 HG3 PRO 20 -11.005 0.924 4.194 160 HD2 PRO 20 HD2 PRO 20 -12.172 -0.765 6.385 161 HD3 PRO 20 HD3 PRO 20 -10.576 -0.873 5.604 162 H GLU 21 H GLU 21 -10.646 4.391 7.770 163 HA GLU 21 HA GLU 21 -11.803 4.077 10.330 164 HB2 GLU 21 HB2 GLU 21 -11.509 6.509 10.554 165 HB3 GLU 21 HB3 GLU 21 -10.073 5.758 9.860 166 HG2 GLU 21 HG2 GLU 21 -10.811 6.420 7.598 167 HG3 GLU 21 HG3 GLU 21 -12.258 7.155 8.280 168 H ASP 22 H ASP 22 -13.128 5.133 7.268 169 HA ASP 22 HA ASP 22 -15.511 6.338 8.265 170 HB2 ASP 22 HB2 ASP 22 -14.761 5.205 5.570 171 HB3 ASP 22 HB3 ASP 22 -16.314 5.969 5.888 172 H GLY 23 H GLY 23 -14.543 3.048 7.869 173 HA2 GLY 23 HA2 GLY 23 -15.797 1.285 8.935 174 HA3 GLY 23 HA3 GLY 23 -17.276 2.152 8.539 175 H SER 24 H SER 24 -15.101 2.243 5.946 176 HA SER 24 HA SER 24 -16.752 0.602 4.289 177 HB2 SER 24 HB2 SER 24 -14.043 1.853 3.790 178 HB3 SER 24 HB3 SER 24 -15.023 1.063 2.564 179 HG SER 24 HG SER 24 -16.459 2.666 2.656 180 H LYS 25 H LYS 25 -15.739 -1.124 2.902 181 HA LYS 25 HA LYS 25 -14.880 -3.279 4.520 182 HB2 LYS 25 HB2 LYS 25 -14.898 -2.923 1.515 183 HB3 LYS 25 HB3 LYS 25 -14.527 -4.446 2.326 184 HG2 LYS 25 HG2 LYS 25 -16.733 -4.393 3.436 185 HG3 LYS 25 HG3 LYS 25 -17.108 -2.879 2.612 186 HD2 LYS 25 HD2 LYS 25 -16.904 -3.992 0.431 187 HD3 LYS 25 HD3 LYS 25 -16.482 -5.506 1.231 188 HE2 LYS 25 HE2 LYS 25 -18.854 -5.534 0.642 189 HE3 LYS 25 HE3 LYS 25 -18.683 -5.469 2.397 190 HZ1 LYS 25 HZ1 LYS 25 -18.855 -2.941 0.932 191 HZ2 LYS 25 HZ2 LYS 25 -19.413 -3.333 2.489 192 HZ3 LYS 25 HZ3 LYS 25 -20.279 -3.846 1.120 193 H ASP 26 H ASP 26 -12.886 -4.372 4.602 194 HA ASP 26 HA ASP 26 -10.613 -2.809 4.838 195 HB2 ASP 26 HB2 ASP 26 -9.367 -4.905 4.988 196 HB3 ASP 26 HB3 ASP 26 -10.872 -5.016 5.889 197 H LEU 27 H LEU 27 -8.691 -2.662 3.635 198 HA LEU 27 HA LEU 27 -8.992 -3.152 0.728 199 HB2 LEU 27 HB2 LEU 27 -7.603 -0.832 2.103 200 HB3 LEU 27 HB3 LEU 27 -7.667 -1.102 0.364 201 HG LEU 27 HG LEU 27 -10.140 -0.767 2.090 202 HD11 LEU 27 HD11 LEU 27 -10.204 1.525 0.992 203 HD12 LEU 27 HD12 LEU 27 -8.539 1.240 0.483 204 HD13 LEU 27 HD13 LEU 27 -8.936 1.312 2.200 205 HD21 LEU 27 HD21 LEU 27 -10.575 -1.920 -0.013 206 HD22 LEU 27 HD22 LEU 27 -9.640 -0.720 -0.907 207 HD23 LEU 27 HD23 LEU 27 -11.169 -0.265 -0.153 208 H PHE 28 H PHE 28 -7.130 -3.772 -0.410 209 HA PHE 28 HA PHE 28 -5.179 -5.239 1.136 210 HB2 PHE 28 HB2 PHE 28 -5.511 -4.751 -1.832 211 HB3 PHE 28 HB3 PHE 28 -4.216 -5.736 -1.147 212 HD1 PHE 28 HD1 PHE 28 -7.838 -5.489 -1.754 213 HD2 PHE 28 HD2 PHE 28 -4.695 -7.873 -0.053 214 HE1 PHE 28 HE1 PHE 28 -9.381 -7.425 -1.615 215 HE2 PHE 28 HE2 PHE 28 -6.240 -9.809 0.086 216 HZ PHE 28 HZ PHE 28 -8.582 -9.584 -0.695 217 H VAL 29 H VAL 29 -3.190 -4.595 1.720 218 HA VAL 29 HA VAL 29 -2.061 -2.149 0.499 219 HB VAL 29 HB VAL 29 -2.118 -2.872 3.440 220 HG11 VAL 29 HG11 VAL 29 -0.777 -0.614 1.945 221 HG12 VAL 29 HG12 VAL 29 -0.019 -1.790 3.016 222 HG13 VAL 29 HG13 VAL 29 -1.085 -0.553 3.680 223 HG21 VAL 29 HG21 VAL 29 -3.266 -0.370 2.229 224 HG22 VAL 29 HG22 VAL 29 -3.659 -1.139 3.762 225 HG23 VAL 29 HG23 VAL 29 -4.213 -1.856 2.250 226 H HIS 30 H HIS 30 0.043 -2.326 -0.100 227 HA HIS 30 HA HIS 30 1.489 -4.788 0.676 228 HB2 HIS 30 HB2 HIS 30 1.768 -3.054 -1.786 229 HB3 HIS 30 HB3 HIS 30 2.800 -4.435 -1.410 230 HD2 HIS 30 HD2 HIS 30 -0.526 -3.752 -3.166 231 HE1 HIS 30 HE1 HIS 30 -0.517 -7.879 -2.278 232 HE2 HIS 30 HE2 HIS 30 -1.696 -6.050 -3.584 233 H HIS 31 H HIS 31 3.610 -4.686 1.308 234 HA HIS 31 HA HIS 31 4.420 -2.443 2.833 235 HB2 HIS 31 HB2 HIS 31 5.119 -4.805 3.257 236 HB3 HIS 31 HB3 HIS 31 6.154 -4.718 1.831 237 HD2 HIS 31 HD2 HIS 31 6.160 -3.537 5.548 238 HE1 HIS 31 HE1 HIS 31 9.688 -2.071 3.751 239 HE2 HIS 31 HE2 HIS 31 8.460 -2.369 5.954 240 H SER 32 H SER 32 5.581 -3.656 -0.301 241 HA SER 32 HA SER 32 7.623 -1.769 -0.703 242 HB2 SER 32 HB2 SER 32 6.013 -3.379 -2.679 243 HB3 SER 32 HB3 SER 32 7.430 -2.428 -3.111 244 HG SER 32 HG SER 32 7.359 -4.455 -1.121 245 H GLU 33 H GLU 33 4.189 -1.411 -1.136 246 HA GLU 33 HA GLU 33 4.270 0.688 -3.061 247 HB2 GLU 33 HB2 GLU 33 2.138 -0.230 -1.140 248 HB3 GLU 33 HB3 GLU 33 1.890 1.079 -2.293 249 HG2 GLU 33 HG2 GLU 33 2.753 -1.733 -3.033 250 HG3 GLU 33 HG3 GLU 33 1.107 -1.122 -3.170 251 H ILE 34 H ILE 34 5.051 0.748 0.270 252 HA ILE 34 HA ILE 34 4.067 3.217 1.117 253 HB ILE 34 HB ILE 34 5.920 3.286 2.718 254 HG12 ILE 34 HG12 ILE 34 7.065 0.878 1.259 255 HG13 ILE 34 HG13 ILE 34 7.667 2.512 1.028 256 HG21 ILE 34 HG21 ILE 34 4.167 1.841 3.385 257 HG22 ILE 34 HG22 ILE 34 5.626 0.876 3.600 258 HG23 ILE 34 HG23 ILE 34 4.600 0.618 2.191 259 HD11 ILE 34 HD11 ILE 34 8.979 1.196 2.718 260 HD12 ILE 34 HD12 ILE 34 7.530 1.129 3.722 261 HD13 ILE 34 HD13 ILE 34 8.285 2.682 3.368 262 H GLN 35 H GLN 35 5.356 5.231 1.488 263 HA GLN 35 HA GLN 35 6.349 6.198 -1.052 264 HB2 GLN 35 HB2 GLN 35 6.027 7.547 1.642 265 HB3 GLN 35 HB3 GLN 35 6.535 8.371 0.168 266 HG2 GLN 35 HG2 GLN 35 3.929 6.845 0.465 267 HG3 GLN 35 HG3 GLN 35 4.083 8.595 0.619 268 HE21 GLN 35 HE21 GLN 35 5.285 9.624 -1.413 269 HE22 GLN 35 HE22 GLN 35 4.795 9.022 -2.923 270 H SER 36 H SER 36 8.395 6.984 -1.497 271 HA SER 36 HA SER 36 10.587 5.610 -0.346 272 HB2 SER 36 HB2 SER 36 10.655 6.384 -2.653 273 HB3 SER 36 HB3 SER 36 10.512 8.058 -2.126 274 HG SER 36 HG SER 36 12.674 6.300 -1.995 275 H GLY 37 H GLY 37 12.111 6.213 1.121 276 HA2 GLY 37 HA2 GLY 37 12.765 8.724 2.068 277 HA3 GLY 37 HA3 GLY 37 11.422 8.185 3.074 278 H GLY 38 H GLY 38 14.111 6.365 1.623 279 HA2 GLY 38 HA2 GLY 38 15.989 5.430 2.690 280 HA3 GLY 38 HA3 GLY 38 15.306 5.879 4.247 281 H GLU 39 H GLU 39 12.730 4.534 2.832 282 HA GLU 39 HA GLU 39 11.630 2.539 3.047 283 HB2 GLU 39 HB2 GLU 39 14.399 1.422 2.535 284 HB3 GLU 39 HB3 GLU 39 12.899 0.500 2.443 285 HG2 GLU 39 HG2 GLU 39 12.082 2.028 0.672 286 HG3 GLU 39 HG3 GLU 39 13.602 2.917 0.748 287 H TYR 40 H TYR 40 12.619 3.812 5.461 288 HA TYR 40 HA TYR 40 13.276 1.525 7.203 289 HB2 TYR 40 HB2 TYR 40 13.258 4.494 7.769 290 HB3 TYR 40 HB3 TYR 40 13.669 3.246 8.942 291 HD1 TYR 40 HD1 TYR 40 14.803 5.136 6.029 292 HD2 TYR 40 HD2 TYR 40 15.688 1.824 8.616 293 HE1 TYR 40 HE1 TYR 40 17.136 5.100 5.185 294 HE2 TYR 40 HE2 TYR 40 18.018 1.787 7.772 295 HH TYR 40 HH TYR 40 18.994 3.403 4.997 296 H ALA 41 H ALA 41 10.535 3.136 6.116 297 HA ALA 41 HA ALA 41 9.008 3.470 8.454 298 HB1 ALA 41 HB1 ALA 41 8.261 2.941 5.580 299 HB2 ALA 41 HB2 ALA 41 8.177 4.463 6.469 300 HB3 ALA 41 HB3 ALA 41 7.046 3.161 6.841 301 H THR 42 H THR 42 7.971 2.106 9.735 302 HA THR 42 HA THR 42 7.824 -0.751 8.951 303 HB THR 42 HB THR 42 7.990 -1.284 11.358 304 HG1 THR 42 HG1 THR 42 8.380 0.337 12.810 305 HG21 THR 42 HG21 THR 42 10.026 -1.053 9.844 306 HG22 THR 42 HG22 THR 42 10.343 -0.901 11.572 307 HG23 THR 42 HG23 THR 42 10.267 0.541 10.560 308 H LEU 43 H LEU 43 5.982 -1.928 9.648 309 HA LEU 43 HA LEU 43 3.709 -0.379 10.676 310 HB2 LEU 43 HB2 LEU 43 3.635 -2.050 8.157 311 HB3 LEU 43 HB3 LEU 43 2.228 -1.339 8.932 312 HG LEU 43 HG LEU 43 4.596 0.271 7.922 313 HD11 LEU 43 HD11 LEU 43 3.593 -0.747 5.995 314 HD12 LEU 43 HD12 LEU 43 2.952 0.894 6.073 315 HD13 LEU 43 HD13 LEU 43 1.965 -0.464 6.611 316 HD21 LEU 43 HD21 LEU 43 2.715 2.079 7.976 317 HD22 LEU 43 HD22 LEU 43 3.426 1.587 9.508 318 HD23 LEU 43 HD23 LEU 43 1.857 0.945 9.023 319 H ALA 44 H ALA 44 2.103 -1.676 11.692 320 HA ALA 44 HA ALA 44 2.622 -4.550 11.973 321 HB1 ALA 44 HB1 ALA 44 3.894 -3.195 13.758 322 HB2 ALA 44 HB2 ALA 44 2.864 -4.508 14.329 323 HB3 ALA 44 HB3 ALA 44 2.306 -2.838 14.439 324 H ASP 45 H ASP 45 0.774 -4.881 14.203 325 HA ASP 45 HA ASP 45 -1.711 -4.631 12.730 326 HB2 ASP 45 HB2 ASP 45 -2.638 -5.898 14.712 327 HB3 ASP 45 HB3 ASP 45 -1.366 -6.733 13.823 328 H GLY 46 H GLY 46 -2.850 -2.828 12.844 329 HA2 GLY 46 HA2 GLY 46 -4.296 -1.345 14.023 330 HA3 GLY 46 HA3 GLY 46 -3.296 -1.543 15.454 331 H GLN 47 H GLN 47 -1.231 -1.133 12.878 332 HA GLN 47 HA GLN 47 -0.354 1.433 13.694 333 HB2 GLN 47 HB2 GLN 47 1.056 -0.353 12.667 334 HB3 GLN 47 HB3 GLN 47 0.255 -0.052 11.129 335 HG2 GLN 47 HG2 GLN 47 2.395 1.140 11.245 336 HG3 GLN 47 HG3 GLN 47 1.060 2.275 11.158 337 HE21 GLN 47 HE21 GLN 47 1.571 4.031 12.482 338 HE22 GLN 47 HE22 GLN 47 2.255 3.910 14.032 339 H THR 48 H THR 48 -0.862 3.423 13.012 340 HA THR 48 HA THR 48 -3.086 3.781 11.180 341 HB THR 48 HB THR 48 -1.402 5.844 12.637 342 HG1 THR 48 HG1 THR 48 -2.565 4.301 13.951 343 HG21 THR 48 HG21 THR 48 -2.800 6.580 10.619 344 HG22 THR 48 HG22 THR 48 -3.143 7.400 12.142 345 HG23 THR 48 HG23 THR 48 -4.216 6.125 11.566 346 H VAL 49 H VAL 49 -2.940 4.287 9.088 347 HA VAL 49 HA VAL 49 -0.450 5.448 8.039 348 HB VAL 49 HB VAL 49 -0.415 3.851 6.150 349 HG11 VAL 49 HG11 VAL 49 0.619 2.063 7.359 350 HG12 VAL 49 HG12 VAL 49 -0.367 2.370 8.788 351 HG13 VAL 49 HG13 VAL 49 0.885 3.519 8.317 352 HG21 VAL 49 HG21 VAL 49 -1.734 1.722 6.432 353 HG22 VAL 49 HG22 VAL 49 -2.733 3.137 6.098 354 HG23 VAL 49 HG23 VAL 49 -2.620 2.505 7.741 355 H GLU 50 H GLU 50 -0.673 6.116 5.736 356 HA GLU 50 HA GLU 50 -3.392 7.165 5.205 357 HB2 GLU 50 HB2 GLU 50 -0.703 8.319 4.398 358 HB3 GLU 50 HB3 GLU 50 -2.275 8.990 3.959 359 HG2 GLU 50 HG2 GLU 50 -2.808 9.289 6.359 360 HG3 GLU 50 HG3 GLU 50 -1.221 8.651 6.783 361 H TYR 51 H TYR 51 -4.277 6.748 3.202 362 HA TYR 51 HA TYR 51 -2.615 5.647 1.078 363 HB2 TYR 51 HB2 TYR 51 -3.897 3.562 0.894 364 HB3 TYR 51 HB3 TYR 51 -3.088 3.672 2.453 365 HD1 TYR 51 HD1 TYR 51 -6.325 3.716 0.713 366 HD2 TYR 51 HD2 TYR 51 -4.369 4.116 4.517 367 HE1 TYR 51 HE1 TYR 51 -8.508 3.476 1.861 368 HE2 TYR 51 HE2 TYR 51 -6.554 3.873 5.665 369 HH TYR 51 HH TYR 51 -9.082 4.354 4.923 370 H GLU 52 H GLU 52 -3.804 5.192 -0.894 371 HA GLU 52 HA GLU 52 -6.175 6.936 -1.210 372 HB2 GLU 52 HB2 GLU 52 -3.938 6.243 -3.130 373 HB3 GLU 52 HB3 GLU 52 -5.434 7.030 -3.637 374 HG2 GLU 52 HG2 GLU 52 -5.013 8.917 -2.177 375 HG3 GLU 52 HG3 GLU 52 -3.628 8.105 -1.455 376 H VAL 53 H VAL 53 -8.015 5.938 -1.791 377 HA VAL 53 HA VAL 53 -7.971 3.068 -2.317 378 HB VAL 53 HB VAL 53 -10.314 4.988 -2.069 379 HG11 VAL 53 HG11 VAL 53 -10.261 1.957 -1.891 380 HG12 VAL 53 HG12 VAL 53 -10.785 2.857 -3.315 381 HG13 VAL 53 HG13 VAL 53 -11.686 2.996 -1.805 382 HG21 VAL 53 HG21 VAL 53 -8.861 3.236 -0.076 383 HG22 VAL 53 HG22 VAL 53 -10.518 3.777 0.199 384 HG23 VAL 53 HG23 VAL 53 -9.216 4.957 0.044 385 H GLY 54 H GLY 54 -7.715 2.337 -4.317 386 HA2 GLY 54 HA2 GLY 54 -8.979 3.811 -6.559 387 HA3 GLY 54 HA3 GLY 54 -7.362 3.127 -6.693 388 H GLN 55 H GLN 55 -10.575 2.601 -7.339 389 HA GLN 55 HA GLN 55 -11.037 -0.095 -6.845 390 HB2 GLN 55 HB2 GLN 55 -12.704 1.578 -7.706 391 HB3 GLN 55 HB3 GLN 55 -11.950 1.428 -9.296 392 HG2 GLN 55 HG2 GLN 55 -12.454 -0.971 -9.336 393 HG3 GLN 55 HG3 GLN 55 -13.146 -0.873 -7.718 394 HE21 GLN 55 HE21 GLN 55 -14.380 -1.482 -10.502 395 HE22 GLN 55 HE22 GLN 55 -15.723 -0.446 -10.572 396 H GLY 56 H GLY 56 -10.343 -1.944 -7.701 397 HA2 GLY 56 HA2 GLY 56 -8.578 -1.847 -10.070 398 HA3 GLY 56 HA3 GLY 56 -8.341 -2.950 -8.717 399 H GLN 57 H GLN 57 -8.387 -4.297 -10.874 400 HA GLN 57 HA GLN 57 -10.864 -4.914 -12.087 401 HB2 GLN 57 HB2 GLN 57 -8.277 -6.458 -11.843 402 HB3 GLN 57 HB3 GLN 57 -9.643 -6.994 -12.826 403 HG2 GLN 57 HG2 GLN 57 -9.550 -5.000 -14.178 404 HG3 GLN 57 HG3 GLN 57 -8.357 -4.268 -13.101 405 HE21 GLN 57 HE21 GLN 57 -8.122 -4.937 -16.043 406 HE22 GLN 57 HE22 GLN 57 -6.764 -5.947 -16.160 407 H LYS 58 H LYS 58 -9.139 -6.345 -9.334 408 HA LYS 58 HA LYS 58 -11.317 -8.265 -8.906 409 HB2 LYS 58 HB2 LYS 58 -8.646 -7.898 -7.535 410 HB3 LYS 58 HB3 LYS 58 -9.829 -9.130 -7.094 411 HG2 LYS 58 HG2 LYS 58 -9.733 -10.043 -9.388 412 HG3 LYS 58 HG3 LYS 58 -8.541 -8.817 -9.823 413 HD2 LYS 58 HD2 LYS 58 -6.994 -9.696 -8.126 414 HD3 LYS 58 HD3 LYS 58 -8.187 -10.907 -7.654 415 HE2 LYS 58 HE2 LYS 58 -6.561 -11.917 -9.176 416 HE3 LYS 58 HE3 LYS 58 -8.132 -11.822 -9.970 417 HZ1 LYS 58 HZ1 LYS 58 -6.018 -9.767 -10.280 418 HZ2 LYS 58 HZ2 LYS 58 -7.450 -9.921 -11.180 419 HZ3 LYS 58 HZ3 LYS 58 -6.212 -11.072 -11.346 420 H GLY 59 H GLY 59 -10.171 -5.227 -7.696 421 HA2 GLY 59 HA2 GLY 59 -12.377 -4.437 -6.313 422 HA3 GLY 59 HA3 GLY 59 -11.479 -5.378 -5.125 423 HA PRO 60 HA PRO 60 -9.764 -0.951 -5.431 424 HB2 PRO 60 HB2 PRO 60 -10.404 -0.037 -2.953 425 HB3 PRO 60 HB3 PRO 60 -11.505 0.097 -4.338 426 HG2 PRO 60 HG2 PRO 60 -11.485 -1.908 -2.131 427 HG3 PRO 60 HG3 PRO 60 -12.849 -1.039 -2.852 428 HD2 PRO 60 HD2 PRO 60 -12.242 -3.608 -3.522 429 HD3 PRO 60 HD3 PRO 60 -12.969 -2.469 -4.678 430 H CYS 61 H CYS 61 -7.833 -0.266 -4.567 431 HA CYS 61 HA CYS 61 -6.569 -1.953 -2.493 432 HB2 CYS 61 HB2 CYS 61 -5.272 -0.897 -5.022 433 HB3 CYS 61 HB3 CYS 61 -4.449 -1.784 -3.740 434 HG CYS 61 HG CYS 61 -5.277 -3.892 -4.729 435 H ALA 62 H ALA 62 -4.510 -0.794 -1.641 436 HA ALA 62 HA ALA 62 -5.134 2.090 -1.345 437 HB1 ALA 62 HB1 ALA 62 -5.266 1.569 0.848 438 HB2 ALA 62 HB2 ALA 62 -3.509 1.433 0.797 439 HB3 ALA 62 HB3 ALA 62 -4.511 -0.005 0.607 440 H ASN 63 H ASN 63 -3.590 3.516 -1.931 441 HA ASN 63 HA ASN 63 -0.897 2.469 -2.578 442 HB2 ASN 63 HB2 ASN 63 -2.361 3.060 -4.545 443 HB3 ASN 63 HB3 ASN 63 -2.334 4.727 -3.977 444 HD21 ASN 63 HD21 ASN 63 -1.046 5.646 -5.635 445 HD22 ASN 63 HD22 ASN 63 0.558 5.180 -5.931 446 H LYS 64 H LYS 64 0.834 4.062 -2.505 447 HA LYS 64 HA LYS 64 2.096 5.621 -1.403 448 HB2 LYS 64 HB2 LYS 64 -0.546 7.101 -1.397 449 HB3 LYS 64 HB3 LYS 64 1.003 7.824 -0.965 450 HG2 LYS 64 HG2 LYS 64 1.886 7.252 -3.208 451 HG3 LYS 64 HG3 LYS 64 0.322 6.562 -3.639 452 HD2 LYS 64 HD2 LYS 64 -0.753 8.744 -3.293 453 HD3 LYS 64 HD3 LYS 64 0.795 9.445 -2.828 454 HE2 LYS 64 HE2 LYS 64 0.341 9.965 -5.173 455 HE3 LYS 64 HE3 LYS 64 1.704 8.851 -5.071 456 HZ1 LYS 64 HZ1 LYS 64 -0.985 7.720 -5.309 457 HZ2 LYS 64 HZ2 LYS 64 0.492 7.139 -5.912 458 HZ3 LYS 64 HZ3 LYS 64 -0.300 8.423 -6.691 459 H VAL 65 H VAL 65 1.752 3.663 0.211 460 HA VAL 65 HA VAL 65 0.293 4.208 2.617 461 HB VAL 65 HB VAL 65 2.538 2.228 2.110 462 HG11 VAL 65 HG11 VAL 65 1.537 1.030 4.068 463 HG12 VAL 65 HG12 VAL 65 0.490 2.423 4.340 464 HG13 VAL 65 HG13 VAL 65 2.239 2.590 4.500 465 HG21 VAL 65 HG21 VAL 65 0.864 0.624 1.595 466 HG22 VAL 65 HG22 VAL 65 0.402 2.064 0.689 467 HG23 VAL 65 HG23 VAL 65 -0.433 1.664 2.190 468 H VAL 66 H VAL 66 0.821 5.633 4.082 469 HA VAL 66 HA VAL 66 3.677 6.214 4.626 470 HB VAL 66 HB VAL 66 1.394 8.218 4.590 471 HG11 VAL 66 HG11 VAL 66 2.983 8.840 6.308 472 HG12 VAL 66 HG12 VAL 66 3.274 9.875 4.910 473 HG13 VAL 66 HG13 VAL 66 4.343 8.510 5.236 474 HG21 VAL 66 HG21 VAL 66 2.644 9.216 2.696 475 HG22 VAL 66 HG22 VAL 66 2.135 7.567 2.333 476 HG23 VAL 66 HG23 VAL 66 3.809 7.894 2.779 477 H ALA 67 H ALA 67 4.238 5.804 6.663 478 HA ALA 67 HA ALA 67 2.312 5.016 8.632 479 HB1 ALA 67 HB1 ALA 67 4.740 4.187 8.347 480 HB2 ALA 67 HB2 ALA 67 4.155 4.466 9.987 481 HB3 ALA 67 HB3 ALA 67 5.196 5.657 9.205 482 H VAL 68 H VAL 68 1.500 6.121 10.331 483 HA VAL 68 HA VAL 68 1.967 9.015 10.402 484 HB VAL 68 HB VAL 68 -0.082 7.359 11.919 485 HG11 VAL 68 HG11 VAL 68 -0.071 10.332 11.330 486 HG12 VAL 68 HG12 VAL 68 0.550 9.650 12.832 487 HG13 VAL 68 HG13 VAL 68 -1.152 9.453 12.414 488 HG21 VAL 68 HG21 VAL 68 -0.275 8.897 9.308 489 HG22 VAL 68 HG22 VAL 68 -1.675 8.323 10.214 490 HG23 VAL 68 HG23 VAL 68 -0.525 7.167 9.539 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -7.530 14.310 2.567 2 H2 MET 1 HT2 MET 1 -5.869 14.611 2.370 3 H3 MET 1 HT3 MET 1 -6.456 14.000 3.843 4 HA MET 1 HA MET 1 -6.870 12.484 1.355 5 HB2 MET 1 HB2 MET 1 -4.437 13.097 1.543 6 HB3 MET 1 HB3 MET 1 -4.410 12.309 3.120 7 HG2 MET 1 HG2 MET 1 -5.107 10.185 2.075 8 HG3 MET 1 HG3 MET 1 -5.139 10.970 0.497 9 HE1 MET 1 HE1 MET 1 -2.537 12.870 0.447 10 HE2 MET 1 HE2 MET 1 -3.379 11.865 -0.729 11 HE3 MET 1 HE3 MET 1 -1.645 11.666 -0.495 12 H SER 2 H SER 2 -7.575 10.416 1.810 13 HA SER 2 HA SER 2 -8.942 9.975 4.246 14 HB2 SER 2 HB2 SER 2 -9.658 8.901 2.180 15 HB3 SER 2 HB3 SER 2 -8.132 8.029 2.071 16 HG SER 2 HG SER 2 -8.677 6.883 3.888 17 H LYS 3 H LYS 3 -8.450 8.793 6.044 18 HA LYS 3 HA LYS 3 -5.775 7.538 6.191 19 HB2 LYS 3 HB2 LYS 3 -7.004 9.316 8.317 20 HB3 LYS 3 HB3 LYS 3 -5.487 8.433 8.466 21 HG2 LYS 3 HG2 LYS 3 -4.644 9.681 6.448 22 HG3 LYS 3 HG3 LYS 3 -6.106 10.661 6.506 23 HD2 LYS 3 HD2 LYS 3 -4.220 10.394 8.860 24 HD3 LYS 3 HD3 LYS 3 -4.075 11.675 7.660 25 HE2 LYS 3 HE2 LYS 3 -6.415 12.373 8.163 26 HE3 LYS 3 HE3 LYS 3 -6.489 11.137 9.418 27 HZ1 LYS 3 HZ1 LYS 3 -4.905 12.224 10.696 28 HZ2 LYS 3 HZ2 LYS 3 -5.854 13.499 10.096 29 HZ3 LYS 3 HZ3 LYS 3 -4.341 13.161 9.400 30 H GLY 4 H GLY 4 -5.806 5.547 7.026 31 HA2 GLY 4 HA2 GLY 4 -8.152 4.714 8.639 32 HA3 GLY 4 HA3 GLY 4 -7.569 3.728 7.304 33 H ILE 5 H ILE 5 -7.665 2.346 9.464 34 HA ILE 5 HA ILE 5 -4.936 2.373 10.620 35 HB ILE 5 HB ILE 5 -5.974 1.105 12.554 36 HG12 ILE 5 HG12 ILE 5 -8.601 2.233 11.546 37 HG13 ILE 5 HG13 ILE 5 -8.108 0.583 11.180 38 HG21 ILE 5 HG21 ILE 5 -7.062 3.232 13.491 39 HG22 ILE 5 HG22 ILE 5 -6.728 3.962 11.920 40 HG23 ILE 5 HG23 ILE 5 -5.402 3.377 12.922 41 HD11 ILE 5 HD11 ILE 5 -9.474 0.506 13.170 42 HD12 ILE 5 HD12 ILE 5 -8.541 1.802 13.921 43 HD13 ILE 5 HD13 ILE 5 -7.809 0.218 13.667 44 H VAL 6 H VAL 6 -3.709 0.673 10.269 45 HA VAL 6 HA VAL 6 -4.514 -1.340 8.456 46 HB VAL 6 HB VAL 6 -2.071 -1.231 10.249 47 HG11 VAL 6 HG11 VAL 6 -2.232 -3.481 9.491 48 HG12 VAL 6 HG12 VAL 6 -1.137 -2.709 8.343 49 HG13 VAL 6 HG13 VAL 6 -2.821 -2.989 7.903 50 HG21 VAL 6 HG21 VAL 6 -2.286 -0.525 7.310 51 HG22 VAL 6 HG22 VAL 6 -0.953 -0.180 8.414 52 HG23 VAL 6 HG23 VAL 6 -2.484 0.679 8.584 53 H LYS 7 H LYS 7 -5.603 -3.125 8.788 54 HA LYS 7 HA LYS 7 -6.477 -3.999 11.355 55 HB2 LYS 7 HB2 LYS 7 -7.713 -4.433 9.213 56 HB3 LYS 7 HB3 LYS 7 -6.449 -5.573 8.760 57 HG2 LYS 7 HG2 LYS 7 -6.942 -6.970 10.691 58 HG3 LYS 7 HG3 LYS 7 -8.097 -5.787 11.300 59 HD2 LYS 7 HD2 LYS 7 -9.401 -7.483 10.231 60 HD3 LYS 7 HD3 LYS 7 -9.386 -6.114 9.121 61 HE2 LYS 7 HE2 LYS 7 -7.601 -7.161 7.808 62 HE3 LYS 7 HE3 LYS 7 -7.527 -8.506 8.945 63 HZ1 LYS 7 HZ1 LYS 7 -9.803 -7.762 7.195 64 HZ2 LYS 7 HZ2 LYS 7 -9.899 -8.934 8.422 65 HZ3 LYS 7 HZ3 LYS 7 -8.854 -9.165 7.102 66 H TRP 8 H TRP 8 -4.042 -5.145 9.049 67 HA TRP 8 HA TRP 8 -2.337 -6.135 11.137 68 HB2 TRP 8 HB2 TRP 8 -4.171 -7.943 10.735 69 HB3 TRP 8 HB3 TRP 8 -3.334 -8.236 9.213 70 HD1 TRP 8 HD1 TRP 8 -0.676 -8.892 9.427 71 HE1 TRP 8 HE1 TRP 8 0.521 -10.273 11.245 72 HE3 TRP 8 HE3 TRP 8 -4.136 -8.605 13.166 73 HZ2 TRP 8 HZ2 TRP 8 0.067 -11.144 13.933 74 HZ3 TRP 8 HZ3 TRP 8 -3.733 -9.719 15.343 75 HH2 TRP 8 HH2 TRP 8 -1.636 -10.986 15.731 76 H PHE 9 H PHE 9 -0.293 -5.877 10.435 77 HA PHE 9 HA PHE 9 0.152 -5.692 7.501 78 HB2 PHE 9 HB2 PHE 9 0.636 -3.642 8.903 79 HB3 PHE 9 HB3 PHE 9 1.930 -4.564 9.671 80 HD1 PHE 9 HD1 PHE 9 0.747 -3.077 6.502 81 HD2 PHE 9 HD2 PHE 9 3.961 -5.135 8.474 82 HE1 PHE 9 HE1 PHE 9 2.242 -2.571 4.590 83 HE2 PHE 9 HE2 PHE 9 5.456 -4.626 6.561 84 HZ PHE 9 HZ PHE 9 4.597 -3.345 4.621 85 H ASN 10 H ASN 10 1.231 -7.335 6.587 86 HA ASN 10 HA ASN 10 3.144 -8.866 8.255 87 HB2 ASN 10 HB2 ASN 10 1.285 -9.912 6.111 88 HB3 ASN 10 HB3 ASN 10 2.535 -10.862 6.911 89 HD21 ASN 10 HD21 ASN 10 -0.660 -10.675 6.988 90 HD22 ASN 10 HD22 ASN 10 -0.968 -10.828 8.650 91 H SER 11 H SER 11 4.969 -7.747 7.550 92 HA SER 11 HA SER 11 5.577 -7.131 4.871 93 HB2 SER 11 HB2 SER 11 7.853 -6.777 5.684 94 HB3 SER 11 HB3 SER 11 6.690 -6.096 6.819 95 HG SER 11 HG SER 11 8.299 -7.356 7.861 96 H ASP 12 H ASP 12 6.070 -10.051 6.787 97 HA ASP 12 HA ASP 12 7.982 -11.341 5.174 98 HB2 ASP 12 HB2 ASP 12 5.753 -12.447 6.896 99 HB3 ASP 12 HB3 ASP 12 6.947 -13.468 6.098 100 H LYS 13 H LYS 13 4.439 -11.310 5.031 101 HA LYS 13 HA LYS 13 4.299 -12.954 2.668 102 HB2 LYS 13 HB2 LYS 13 2.256 -11.213 4.064 103 HB3 LYS 13 HB3 LYS 13 1.901 -12.202 2.648 104 HG2 LYS 13 HG2 LYS 13 2.770 -14.200 3.922 105 HG3 LYS 13 HG3 LYS 13 2.870 -13.171 5.350 106 HD2 LYS 13 HD2 LYS 13 0.313 -13.548 3.766 107 HD3 LYS 13 HD3 LYS 13 0.740 -14.551 5.152 108 HE2 LYS 13 HE2 LYS 13 0.896 -12.492 6.552 109 HE3 LYS 13 HE3 LYS 13 0.372 -11.540 5.163 110 HZ1 LYS 13 HZ1 LYS 13 -1.731 -12.360 5.266 111 HZ2 LYS 13 HZ2 LYS 13 -1.334 -12.449 6.917 112 HZ3 LYS 13 HZ3 LYS 13 -1.257 -13.841 5.945 113 H GLY 14 H GLY 14 4.673 -9.578 3.377 114 HA2 GLY 14 HA2 GLY 14 5.511 -7.967 1.870 115 HA3 GLY 14 HA3 GLY 14 4.981 -8.972 0.531 116 H PHE 15 H PHE 15 2.513 -8.718 2.847 117 HA PHE 15 HA PHE 15 1.433 -6.195 1.929 118 HB2 PHE 15 HB2 PHE 15 -0.618 -7.136 0.938 119 HB3 PHE 15 HB3 PHE 15 0.822 -7.578 0.026 120 HD1 PHE 15 HD1 PHE 15 -1.793 -8.800 2.334 121 HD2 PHE 15 HD2 PHE 15 1.599 -9.872 -0.071 122 HE1 PHE 15 HE1 PHE 15 -2.385 -11.195 2.567 123 HE2 PHE 15 HE2 PHE 15 1.010 -12.269 0.164 124 HZ PHE 15 HZ PHE 15 -0.982 -12.932 1.483 125 H GLY 16 H GLY 16 -0.913 -5.966 2.718 126 HA2 GLY 16 HA2 GLY 16 -1.596 -7.440 5.113 127 HA3 GLY 16 HA3 GLY 16 -1.065 -5.788 5.409 128 H PHE 17 H PHE 17 -3.535 -6.302 6.202 129 HA PHE 17 HA PHE 17 -5.322 -5.222 4.095 130 HB2 PHE 17 HB2 PHE 17 -5.971 -6.933 6.512 131 HB3 PHE 17 HB3 PHE 17 -7.174 -6.223 5.439 132 HD1 PHE 17 HD1 PHE 17 -4.500 -8.743 5.749 133 HD2 PHE 17 HD2 PHE 17 -7.495 -7.058 3.173 134 HE1 PHE 17 HE1 PHE 17 -4.263 -10.673 4.211 135 HE2 PHE 17 HE2 PHE 17 -7.257 -8.987 1.635 136 HZ PHE 17 HZ PHE 17 -5.639 -10.795 2.152 137 H ILE 18 H ILE 18 -6.357 -3.306 4.520 138 HA ILE 18 HA ILE 18 -5.879 -2.130 7.179 139 HB ILE 18 HB ILE 18 -4.694 -0.973 5.371 140 HG12 ILE 18 HG12 ILE 18 -6.992 0.788 6.251 141 HG13 ILE 18 HG13 ILE 18 -5.756 0.240 7.386 142 HG21 ILE 18 HG21 ILE 18 -7.474 -0.783 4.206 143 HG22 ILE 18 HG22 ILE 18 -5.995 -1.356 3.437 144 HG23 ILE 18 HG23 ILE 18 -6.211 0.363 3.754 145 HD11 ILE 18 HD11 ILE 18 -4.011 1.199 5.880 146 HD12 ILE 18 HD12 ILE 18 -5.111 2.423 6.513 147 HD13 ILE 18 HD13 ILE 18 -5.291 1.844 4.857 148 H THR 19 H THR 19 -7.454 -1.074 8.260 149 HA THR 19 HA THR 19 -10.195 -1.696 7.436 150 HB THR 19 HB THR 19 -9.116 -0.878 10.139 151 HG1 THR 19 HG1 THR 19 -9.405 -3.097 10.590 152 HG21 THR 19 HG21 THR 19 -11.340 -1.882 10.881 153 HG22 THR 19 HG22 THR 19 -11.825 -1.838 9.186 154 HG23 THR 19 HG23 THR 19 -11.450 -0.338 10.035 155 HA PRO 20 HA PRO 20 -10.296 2.802 6.342 156 HB2 PRO 20 HB2 PRO 20 -13.154 1.957 5.975 157 HB3 PRO 20 HB3 PRO 20 -12.151 2.986 4.935 158 HG2 PRO 20 HG2 PRO 20 -12.601 0.518 4.222 159 HG3 PRO 20 HG3 PRO 20 -10.960 1.174 4.086 160 HD2 PRO 20 HD2 PRO 20 -12.067 -0.694 6.166 161 HD3 PRO 20 HD3 PRO 20 -10.474 -0.703 5.376 162 H GLU 21 H GLU 21 -10.620 4.435 7.768 163 HA GLU 21 HA GLU 21 -11.688 4.050 10.340 164 HB2 GLU 21 HB2 GLU 21 -11.477 6.480 10.605 165 HB3 GLU 21 HB3 GLU 21 -10.049 5.808 9.821 166 HG2 GLU 21 HG2 GLU 21 -10.873 6.519 7.630 167 HG3 GLU 21 HG3 GLU 21 -12.370 7.098 8.352 168 H ASP 22 H ASP 22 -13.259 4.786 7.352 169 HA ASP 22 HA ASP 22 -15.666 5.853 8.604 170 HB2 ASP 22 HB2 ASP 22 -15.049 5.199 5.717 171 HB3 ASP 22 HB3 ASP 22 -16.508 6.005 6.289 172 H GLY 23 H GLY 23 -14.465 2.775 8.263 173 HA2 GLY 23 HA2 GLY 23 -15.567 0.788 8.834 174 HA3 GLY 23 HA3 GLY 23 -17.111 1.594 8.588 175 H SER 24 H SER 24 -15.099 2.212 5.951 176 HA SER 24 HA SER 24 -16.683 0.684 4.153 177 HB2 SER 24 HB2 SER 24 -15.619 2.746 3.418 178 HB3 SER 24 HB3 SER 24 -14.026 2.074 3.739 179 HG SER 24 HG SER 24 -15.918 0.942 1.953 180 H LYS 25 H LYS 25 -15.742 -0.877 2.607 181 HA LYS 25 HA LYS 25 -14.800 -3.179 3.891 182 HB2 LYS 25 HB2 LYS 25 -16.029 -3.073 1.689 183 HB3 LYS 25 HB3 LYS 25 -14.512 -2.571 0.944 184 HG2 LYS 25 HG2 LYS 25 -13.430 -4.644 1.775 185 HG3 LYS 25 HG3 LYS 25 -14.965 -5.154 2.473 186 HD2 LYS 25 HD2 LYS 25 -14.651 -4.514 -0.469 187 HD3 LYS 25 HD3 LYS 25 -14.404 -6.134 0.180 188 HE2 LYS 25 HE2 LYS 25 -16.710 -6.071 1.128 189 HE3 LYS 25 HE3 LYS 25 -16.948 -4.494 0.374 190 HZ1 LYS 25 HZ1 LYS 25 -17.736 -6.557 -0.880 191 HZ2 LYS 25 HZ2 LYS 25 -16.093 -6.832 -1.212 192 HZ3 LYS 25 HZ3 LYS 25 -16.841 -5.402 -1.743 193 H ASP 26 H ASP 26 -12.802 -4.144 4.074 194 HA ASP 26 HA ASP 26 -10.534 -2.540 4.373 195 HB2 ASP 26 HB2 ASP 26 -10.841 -5.524 4.014 196 HB3 ASP 26 HB3 ASP 26 -9.300 -4.756 4.376 197 H LEU 27 H LEU 27 -8.730 -2.170 3.156 198 HA LEU 27 HA LEU 27 -8.918 -2.825 0.275 199 HB2 LEU 27 HB2 LEU 27 -8.073 -0.387 1.781 200 HB3 LEU 27 HB3 LEU 27 -7.170 -0.766 0.320 201 HG LEU 27 HG LEU 27 -9.402 -0.929 -0.889 202 HD11 LEU 27 HD11 LEU 27 -10.317 0.160 1.780 203 HD12 LEU 27 HD12 LEU 27 -10.960 -1.214 0.882 204 HD13 LEU 27 HD13 LEU 27 -11.239 0.426 0.299 205 HD21 LEU 27 HD21 LEU 27 -7.825 1.085 -0.847 206 HD22 LEU 27 HD22 LEU 27 -8.899 1.782 0.366 207 HD23 LEU 27 HD23 LEU 27 -9.505 1.434 -1.253 208 H PHE 28 H PHE 28 -7.035 -3.435 -0.831 209 HA PHE 28 HA PHE 28 -5.119 -4.916 0.762 210 HB2 PHE 28 HB2 PHE 28 -5.455 -4.499 -2.217 211 HB3 PHE 28 HB3 PHE 28 -4.162 -5.475 -1.515 212 HD1 PHE 28 HD1 PHE 28 -7.819 -5.184 -1.992 213 HD2 PHE 28 HD2 PHE 28 -4.614 -7.625 -0.500 214 HE1 PHE 28 HE1 PHE 28 -9.369 -7.112 -1.813 215 HE2 PHE 28 HE2 PHE 28 -6.165 -9.552 -0.320 216 HZ PHE 28 HZ PHE 28 -8.541 -9.296 -0.978 217 H VAL 29 H VAL 29 -3.119 -4.280 1.323 218 HA VAL 29 HA VAL 29 -1.929 -1.939 -0.028 219 HB VAL 29 HB VAL 29 -2.065 -2.376 2.971 220 HG11 VAL 29 HG11 VAL 29 -0.673 -0.292 1.275 221 HG12 VAL 29 HG12 VAL 29 0.058 -1.367 2.467 222 HG13 VAL 29 HG13 VAL 29 -1.002 -0.060 2.992 223 HG21 VAL 29 HG21 VAL 29 -3.194 -0.104 1.320 224 HG22 VAL 29 HG22 VAL 29 -3.484 -0.439 3.027 225 HG23 VAL 29 HG23 VAL 29 -4.147 -1.512 1.793 226 H HIS 30 H HIS 30 0.196 -2.163 -0.504 227 HA HIS 30 HA HIS 30 1.534 -4.643 0.391 228 HB2 HIS 30 HB2 HIS 30 1.929 -2.931 -2.072 229 HB3 HIS 30 HB3 HIS 30 2.979 -4.280 -1.632 230 HD2 HIS 30 HD2 HIS 30 1.929 -6.815 -2.215 231 HE1 HIS 30 HE1 HIS 30 -1.856 -5.511 -3.554 232 HE2 HIS 30 HE2 HIS 30 -0.322 -7.523 -3.333 233 H HIS 31 H HIS 31 3.721 -4.597 0.984 234 HA HIS 31 HA HIS 31 4.538 -2.428 2.610 235 HB2 HIS 31 HB2 HIS 31 5.292 -4.798 2.890 236 HB3 HIS 31 HB3 HIS 31 6.277 -4.619 1.438 237 HD2 HIS 31 HD2 HIS 31 6.399 -3.634 5.211 238 HE1 HIS 31 HE1 HIS 31 9.826 -2.004 3.366 239 HE2 HIS 31 HE2 HIS 31 8.691 -2.443 5.593 240 H SER 32 H SER 32 5.619 -3.509 -0.596 241 HA SER 32 HA SER 32 7.482 -1.378 -0.987 242 HB2 SER 32 HB2 SER 32 7.636 -3.562 -2.142 243 HB3 SER 32 HB3 SER 32 6.177 -3.167 -3.047 244 HG SER 32 HG SER 32 7.331 -1.935 -4.293 245 H GLU 33 H GLU 33 4.179 -1.182 -0.847 246 HA GLU 33 HA GLU 33 3.562 0.408 -3.127 247 HB2 GLU 33 HB2 GLU 33 1.911 -0.851 -1.695 248 HB3 GLU 33 HB3 GLU 33 2.128 0.397 -0.469 249 HG2 GLU 33 HG2 GLU 33 0.173 0.931 -1.817 250 HG3 GLU 33 HG3 GLU 33 1.436 2.116 -2.127 251 H ILE 34 H ILE 34 4.923 1.144 0.023 252 HA ILE 34 HA ILE 34 4.397 3.960 -0.063 253 HB ILE 34 HB ILE 34 4.786 2.771 2.061 254 HG12 ILE 34 HG12 ILE 34 7.049 4.739 1.658 255 HG13 ILE 34 HG13 ILE 34 5.366 5.257 1.680 256 HG21 ILE 34 HG21 ILE 34 6.603 1.266 1.009 257 HG22 ILE 34 HG22 ILE 34 6.860 1.811 2.665 258 HG23 ILE 34 HG23 ILE 34 7.712 2.596 1.336 259 HD11 ILE 34 HD11 ILE 34 6.891 3.873 3.902 260 HD12 ILE 34 HD12 ILE 34 5.141 4.087 3.920 261 HD13 ILE 34 HD13 ILE 34 6.200 5.497 3.925 262 H GLN 35 H GLN 35 5.395 5.467 -1.195 263 HA GLN 35 HA GLN 35 7.405 4.902 -3.091 264 HB2 GLN 35 HB2 GLN 35 6.363 7.511 -1.977 265 HB3 GLN 35 HB3 GLN 35 7.520 7.416 -3.304 266 HG2 GLN 35 HG2 GLN 35 4.790 6.095 -3.304 267 HG3 GLN 35 HG3 GLN 35 5.161 7.623 -4.096 268 HE21 GLN 35 HE21 GLN 35 4.554 4.616 -5.009 269 HE22 GLN 35 HE22 GLN 35 5.689 4.401 -6.252 270 H SER 36 H SER 36 7.564 6.375 0.137 271 HA SER 36 HA SER 36 10.241 7.235 0.049 272 HB2 SER 36 HB2 SER 36 8.695 7.933 1.814 273 HB3 SER 36 HB3 SER 36 8.616 6.281 2.419 274 HG SER 36 HG SER 36 10.305 6.812 3.542 275 H GLY 37 H GLY 37 8.857 4.168 1.226 276 HA2 GLY 37 HA2 GLY 37 9.785 2.082 1.515 277 HA3 GLY 37 HA3 GLY 37 10.998 2.568 0.336 278 H GLY 38 H GLY 38 10.471 4.284 3.367 279 HA2 GLY 38 HA2 GLY 38 13.198 4.242 4.094 280 HA3 GLY 38 HA3 GLY 38 11.867 4.703 5.148 281 H GLU 39 H GLU 39 14.399 2.886 5.271 282 HA GLU 39 HA GLU 39 13.527 0.245 5.835 283 HB2 GLU 39 HB2 GLU 39 15.889 0.921 5.333 284 HB3 GLU 39 HB3 GLU 39 15.968 1.666 6.928 285 HG2 GLU 39 HG2 GLU 39 15.463 -0.513 7.976 286 HG3 GLU 39 HG3 GLU 39 15.381 -1.261 6.383 287 H TYR 40 H TYR 40 14.018 3.114 7.851 288 HA TYR 40 HA TYR 40 13.617 1.905 10.370 289 HB2 TYR 40 HB2 TYR 40 13.111 4.744 9.458 290 HB3 TYR 40 HB3 TYR 40 13.098 4.218 11.140 291 HD1 TYR 40 HD1 TYR 40 15.195 4.884 8.200 292 HD2 TYR 40 HD2 TYR 40 15.159 3.474 12.256 293 HE1 TYR 40 HE1 TYR 40 17.663 5.106 8.300 294 HE2 TYR 40 HE2 TYR 40 17.627 3.696 12.357 295 HH TYR 40 HH TYR 40 19.383 5.394 10.773 296 H ALA 41 H ALA 41 11.364 3.353 8.055 297 HA ALA 41 HA ALA 41 9.070 3.358 9.683 298 HB1 ALA 41 HB1 ALA 41 9.175 4.569 7.558 299 HB2 ALA 41 HB2 ALA 41 7.812 3.450 7.561 300 HB3 ALA 41 HB3 ALA 41 9.285 3.043 6.680 301 H THR 42 H THR 42 7.856 1.792 10.447 302 HA THR 42 HA THR 42 7.837 -0.844 9.108 303 HB THR 42 HB THR 42 7.804 -1.932 11.323 304 HG1 THR 42 HG1 THR 42 7.446 -0.741 12.984 305 HG21 THR 42 HG21 THR 42 9.963 -1.875 10.365 306 HG22 THR 42 HG22 THR 42 10.200 -1.249 11.997 307 HG23 THR 42 HG23 THR 42 10.128 -0.141 10.628 308 H LEU 43 H LEU 43 5.942 -2.159 9.655 309 HA LEU 43 HA LEU 43 3.628 -0.643 10.652 310 HB2 LEU 43 HB2 LEU 43 3.846 -1.998 7.966 311 HB3 LEU 43 HB3 LEU 43 2.293 -1.761 8.754 312 HG LEU 43 HG LEU 43 3.237 0.761 8.990 313 HD11 LEU 43 HD11 LEU 43 4.385 -0.002 6.306 314 HD12 LEU 43 HD12 LEU 43 5.378 -0.077 7.756 315 HD13 LEU 43 HD13 LEU 43 4.667 1.455 7.260 316 HD21 LEU 43 HD21 LEU 43 1.915 -0.511 6.579 317 HD22 LEU 43 HD22 LEU 43 2.098 1.235 6.752 318 HD23 LEU 43 HD23 LEU 43 1.138 0.329 7.920 319 H ALA 44 H ALA 44 2.059 -1.920 11.636 320 HA ALA 44 HA ALA 44 2.412 -4.828 11.699 321 HB1 ALA 44 HB1 ALA 44 3.774 -3.572 13.553 322 HB2 ALA 44 HB2 ALA 44 2.822 -4.989 13.996 323 HB3 ALA 44 HB3 ALA 44 2.199 -3.372 14.322 324 H ASP 45 H ASP 45 0.595 -5.028 14.074 325 HA ASP 45 HA ASP 45 -1.913 -4.723 12.649 326 HB2 ASP 45 HB2 ASP 45 -1.422 -6.777 13.922 327 HB3 ASP 45 HB3 ASP 45 -1.291 -5.833 15.399 328 H GLY 46 H GLY 46 -2.878 -2.779 12.678 329 HA2 GLY 46 HA2 GLY 46 -4.272 -1.227 13.846 330 HA3 GLY 46 HA3 GLY 46 -3.269 -1.439 15.272 331 H GLN 47 H GLN 47 -1.206 -1.144 12.666 332 HA GLN 47 HA GLN 47 -0.239 1.407 13.444 333 HB2 GLN 47 HB2 GLN 47 1.108 -0.415 12.383 334 HB3 GLN 47 HB3 GLN 47 0.276 -0.096 10.865 335 HG2 GLN 47 HG2 GLN 47 2.428 1.065 10.898 336 HG3 GLN 47 HG3 GLN 47 1.115 2.233 10.908 337 HE21 GLN 47 HE21 GLN 47 1.628 3.926 12.306 338 HE22 GLN 47 HE22 GLN 47 2.417 3.752 13.799 339 H THR 48 H THR 48 -0.848 3.401 12.836 340 HA THR 48 HA THR 48 -3.060 3.754 11.008 341 HB THR 48 HB THR 48 -2.690 6.196 11.520 342 HG1 THR 48 HG1 THR 48 -1.184 6.674 13.097 343 HG21 THR 48 HG21 THR 48 -3.208 5.861 14.036 344 HG22 THR 48 HG22 THR 48 -3.125 4.136 13.678 345 HG23 THR 48 HG23 THR 48 -4.312 5.155 12.858 346 H VAL 49 H VAL 49 -3.038 4.762 9.017 347 HA VAL 49 HA VAL 49 -0.517 5.686 7.899 348 HB VAL 49 HB VAL 49 -0.657 4.200 5.921 349 HG11 VAL 49 HG11 VAL 49 0.279 2.253 7.002 350 HG12 VAL 49 HG12 VAL 49 -0.535 2.642 8.517 351 HG13 VAL 49 HG13 VAL 49 0.768 3.673 7.927 352 HG21 VAL 49 HG21 VAL 49 -2.988 3.582 5.915 353 HG22 VAL 49 HG22 VAL 49 -2.872 2.914 7.544 354 HG23 VAL 49 HG23 VAL 49 -2.064 2.107 6.200 355 H GLU 50 H GLU 50 -0.777 6.485 5.661 356 HA GLU 50 HA GLU 50 -3.456 7.690 5.251 357 HB2 GLU 50 HB2 GLU 50 -0.755 8.755 4.351 358 HB3 GLU 50 HB3 GLU 50 -2.313 9.540 4.112 359 HG2 GLU 50 HG2 GLU 50 -2.592 9.714 6.566 360 HG3 GLU 50 HG3 GLU 50 -1.023 8.950 6.795 361 H TYR 51 H TYR 51 -4.421 7.245 3.284 362 HA TYR 51 HA TYR 51 -2.796 6.272 1.069 363 HB2 TYR 51 HB2 TYR 51 -4.025 4.159 0.840 364 HB3 TYR 51 HB3 TYR 51 -3.157 4.228 2.366 365 HD1 TYR 51 HD1 TYR 51 -6.466 4.275 0.761 366 HD2 TYR 51 HD2 TYR 51 -4.359 4.503 4.497 367 HE1 TYR 51 HE1 TYR 51 -8.591 3.906 1.982 368 HE2 TYR 51 HE2 TYR 51 -6.486 4.130 5.717 369 HH TYR 51 HH TYR 51 -8.819 4.282 5.431 370 H GLU 52 H GLU 52 -4.026 5.823 -0.870 371 HA GLU 52 HA GLU 52 -6.518 7.413 -1.044 372 HB2 GLU 52 HB2 GLU 52 -4.147 7.243 -2.902 373 HB3 GLU 52 HB3 GLU 52 -5.742 7.677 -3.520 374 HG2 GLU 52 HG2 GLU 52 -4.408 9.091 -1.195 375 HG3 GLU 52 HG3 GLU 52 -4.299 9.647 -2.863 376 H VAL 53 H VAL 53 -8.225 6.399 -1.875 377 HA VAL 53 HA VAL 53 -8.277 3.607 -2.190 378 HB VAL 53 HB VAL 53 -10.241 4.975 -1.564 379 HG11 VAL 53 HG11 VAL 53 -10.425 5.782 -4.472 380 HG12 VAL 53 HG12 VAL 53 -9.710 6.821 -3.238 381 HG13 VAL 53 HG13 VAL 53 -11.408 6.355 -3.125 382 HG21 VAL 53 HG21 VAL 53 -11.877 3.701 -2.763 383 HG22 VAL 53 HG22 VAL 53 -10.445 2.679 -2.657 384 HG23 VAL 53 HG23 VAL 53 -10.815 3.525 -4.159 385 H GLY 54 H GLY 54 -8.620 2.312 -3.990 386 HA2 GLY 54 HA2 GLY 54 -8.085 3.402 -6.660 387 HA3 GLY 54 HA3 GLY 54 -7.000 2.157 -6.044 388 H GLN 55 H GLN 55 -8.495 1.741 -8.361 389 HA GLN 55 HA GLN 55 -10.745 0.026 -7.556 390 HB2 GLN 55 HB2 GLN 55 -9.867 1.107 -10.239 391 HB3 GLN 55 HB3 GLN 55 -11.187 -0.051 -10.037 392 HG2 GLN 55 HG2 GLN 55 -12.422 1.501 -8.655 393 HG3 GLN 55 HG3 GLN 55 -11.065 2.621 -8.612 394 HE21 GLN 55 HE21 GLN 55 -13.854 3.051 -9.687 395 HE22 GLN 55 HE22 GLN 55 -13.637 3.528 -11.302 396 H GLY 56 H GLY 56 -10.831 -2.136 -7.994 397 HA2 GLY 56 HA2 GLY 56 -8.794 -3.500 -9.520 398 HA3 GLY 56 HA3 GLY 56 -8.675 -3.774 -7.783 399 H GLN 57 H GLN 57 -9.293 -5.715 -9.850 400 HA GLN 57 HA GLN 57 -12.065 -6.313 -9.930 401 HB2 GLN 57 HB2 GLN 57 -9.613 -8.017 -10.378 402 HB3 GLN 57 HB3 GLN 57 -11.258 -8.611 -10.610 403 HG2 GLN 57 HG2 GLN 57 -10.599 -7.865 -12.762 404 HG3 GLN 57 HG3 GLN 57 -11.595 -6.553 -12.130 405 HE21 GLN 57 HE21 GLN 57 -10.622 -4.678 -12.946 406 HE22 GLN 57 HE22 GLN 57 -8.972 -4.310 -12.784 407 H LYS 58 H LYS 58 -9.453 -7.318 -7.774 408 HA LYS 58 HA LYS 58 -11.213 -9.051 -6.237 409 HB2 LYS 58 HB2 LYS 58 -9.213 -9.535 -4.892 410 HB3 LYS 58 HB3 LYS 58 -8.893 -9.742 -6.612 411 HG2 LYS 58 HG2 LYS 58 -7.856 -7.494 -6.687 412 HG3 LYS 58 HG3 LYS 58 -8.166 -7.298 -4.962 413 HD2 LYS 58 HD2 LYS 58 -6.763 -9.269 -4.480 414 HD3 LYS 58 HD3 LYS 58 -6.449 -9.465 -6.206 415 HE2 LYS 58 HE2 LYS 58 -5.402 -7.235 -6.277 416 HE3 LYS 58 HE3 LYS 58 -5.719 -7.029 -4.554 417 HZ1 LYS 58 HZ1 LYS 58 -4.109 -9.248 -5.687 418 HZ2 LYS 58 HZ2 LYS 58 -4.299 -8.852 -4.046 419 HZ3 LYS 58 HZ3 LYS 58 -3.442 -7.812 -5.081 420 H GLY 59 H GLY 59 -11.556 -6.018 -6.375 421 HA2 GLY 59 HA2 GLY 59 -12.815 -4.884 -4.622 422 HA3 GLY 59 HA3 GLY 59 -11.675 -5.555 -3.455 423 HA PRO 60 HA PRO 60 -10.259 -1.277 -5.012 424 HB2 PRO 60 HB2 PRO 60 -10.541 0.177 -2.735 425 HB3 PRO 60 HB3 PRO 60 -11.855 -0.020 -3.912 426 HG2 PRO 60 HG2 PRO 60 -11.389 -1.472 -1.348 427 HG3 PRO 60 HG3 PRO 60 -12.889 -0.793 -2.000 428 HD2 PRO 60 HD2 PRO 60 -12.306 -3.444 -2.188 429 HD3 PRO 60 HD3 PRO 60 -13.238 -2.588 -3.438 430 H CYS 61 H CYS 61 -8.254 -0.331 -4.565 431 HA CYS 61 HA CYS 61 -6.575 -1.739 -2.570 432 HB2 CYS 61 HB2 CYS 61 -6.099 -2.146 -5.052 433 HB3 CYS 61 HB3 CYS 61 -5.590 -0.459 -5.125 434 HG CYS 61 HG CYS 61 -3.490 -1.030 -3.922 435 H ALA 62 H ALA 62 -4.678 -0.377 -1.841 436 HA ALA 62 HA ALA 62 -5.354 2.497 -1.762 437 HB1 ALA 62 HB1 ALA 62 -5.838 2.120 0.430 438 HB2 ALA 62 HB2 ALA 62 -4.087 2.082 0.634 439 HB3 ALA 62 HB3 ALA 62 -4.987 0.578 0.454 440 H ASN 63 H ASN 63 -3.620 3.888 -1.997 441 HA ASN 63 HA ASN 63 -0.923 2.682 -2.134 442 HB2 ASN 63 HB2 ASN 63 -0.449 4.048 -4.137 443 HB3 ASN 63 HB3 ASN 63 -1.733 2.876 -4.423 444 HD21 ASN 63 HD21 ASN 63 -3.222 3.885 -5.787 445 HD22 ASN 63 HD22 ASN 63 -3.828 5.454 -5.562 446 H LYS 64 H LYS 64 0.749 4.568 -2.428 447 HA LYS 64 HA LYS 64 1.834 6.305 -1.396 448 HB2 LYS 64 HB2 LYS 64 -0.966 7.469 -1.366 449 HB3 LYS 64 HB3 LYS 64 0.503 8.377 -1.000 450 HG2 LYS 64 HG2 LYS 64 1.385 7.741 -3.267 451 HG3 LYS 64 HG3 LYS 64 -0.176 7.009 -3.622 452 HD2 LYS 64 HD2 LYS 64 0.125 9.904 -2.782 453 HD3 LYS 64 HD3 LYS 64 0.130 9.392 -4.468 454 HE2 LYS 64 HE2 LYS 64 -2.108 8.352 -4.132 455 HE3 LYS 64 HE3 LYS 64 -2.115 8.953 -2.474 456 HZ1 LYS 64 HZ1 LYS 64 -2.319 11.114 -3.158 457 HZ2 LYS 64 HZ2 LYS 64 -3.216 10.326 -4.367 458 HZ3 LYS 64 HZ3 LYS 64 -1.624 10.830 -4.678 459 H VAL 65 H VAL 65 1.576 4.259 0.209 460 HA VAL 65 HA VAL 65 0.152 4.761 2.645 461 HB VAL 65 HB VAL 65 2.407 2.815 2.062 462 HG11 VAL 65 HG11 VAL 65 1.524 1.582 4.026 463 HG12 VAL 65 HG12 VAL 65 0.380 2.891 4.321 464 HG13 VAL 65 HG13 VAL 65 2.111 3.183 4.475 465 HG21 VAL 65 HG21 VAL 65 -0.553 2.203 2.201 466 HG22 VAL 65 HG22 VAL 65 0.747 1.201 1.551 467 HG23 VAL 65 HG23 VAL 65 0.234 2.650 0.687 468 H VAL 66 H VAL 66 0.691 6.206 4.091 469 HA VAL 66 HA VAL 66 3.561 6.752 4.626 470 HB VAL 66 HB VAL 66 1.285 8.763 4.712 471 HG11 VAL 66 HG11 VAL 66 4.256 9.053 5.251 472 HG12 VAL 66 HG12 VAL 66 2.952 9.259 6.422 473 HG13 VAL 66 HG13 VAL 66 3.135 10.405 5.093 474 HG21 VAL 66 HG21 VAL 66 1.918 8.259 2.412 475 HG22 VAL 66 HG22 VAL 66 3.628 8.430 2.812 476 HG23 VAL 66 HG23 VAL 66 2.568 9.840 2.847 477 H ALA 67 H ALA 67 4.125 6.191 6.624 478 HA ALA 67 HA ALA 67 2.252 5.274 8.555 479 HB1 ALA 67 HB1 ALA 67 4.530 4.393 8.460 480 HB2 ALA 67 HB2 ALA 67 4.221 5.104 10.045 481 HB3 ALA 67 HB3 ALA 67 5.181 5.984 8.854 482 H VAL 68 H VAL 68 1.314 6.252 10.250 483 HA VAL 68 HA VAL 68 0.540 7.926 11.617 484 HB VAL 68 HB VAL 68 3.353 9.042 11.334 485 HG11 VAL 68 HG11 VAL 68 1.207 9.420 13.450 486 HG12 VAL 68 HG12 VAL 68 1.784 10.646 12.322 487 HG13 VAL 68 HG13 VAL 68 2.861 10.023 13.573 488 HG21 VAL 68 HG21 VAL 68 3.469 6.740 12.116 489 HG22 VAL 68 HG22 VAL 68 2.175 7.028 13.278 490 HG23 VAL 68 HG23 VAL 68 3.741 7.808 13.492 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -5.904 13.946 3.910 2 H2 MET 1 HT2 MET 1 -7.308 13.881 2.956 3 H3 MET 1 HT3 MET 1 -5.849 14.442 2.289 4 HA MET 1 HA MET 1 -6.301 12.196 1.544 5 HB2 MET 1 HB2 MET 1 -3.998 12.735 3.414 6 HB3 MET 1 HB3 MET 1 -4.168 11.151 2.658 7 HG2 MET 1 HG2 MET 1 -4.136 13.758 1.111 8 HG3 MET 1 HG3 MET 1 -2.711 12.751 1.365 9 HE1 MET 1 HE1 MET 1 -3.510 13.700 -1.205 10 HE2 MET 1 HE2 MET 1 -3.876 12.430 -2.369 11 HE3 MET 1 HE3 MET 1 -2.384 12.355 -1.437 12 H SER 2 H SER 2 -7.000 10.150 1.988 13 HA SER 2 HA SER 2 -8.532 9.696 4.319 14 HB2 SER 2 HB2 SER 2 -9.062 8.579 2.225 15 HB3 SER 2 HB3 SER 2 -7.508 7.754 2.237 16 HG SER 2 HG SER 2 -8.959 6.346 3.110 17 H LYS 3 H LYS 3 -8.152 8.529 6.153 18 HA LYS 3 HA LYS 3 -5.550 7.223 6.513 19 HB2 LYS 3 HB2 LYS 3 -5.296 9.562 7.318 20 HB3 LYS 3 HB3 LYS 3 -6.631 9.301 8.439 21 HG2 LYS 3 HG2 LYS 3 -5.367 7.531 9.570 22 HG3 LYS 3 HG3 LYS 3 -4.054 7.698 8.405 23 HD2 LYS 3 HD2 LYS 3 -3.372 8.936 10.332 24 HD3 LYS 3 HD3 LYS 3 -3.881 10.136 9.146 25 HE2 LYS 3 HE2 LYS 3 -6.069 10.328 10.238 26 HE3 LYS 3 HE3 LYS 3 -5.623 9.069 11.390 27 HZ1 LYS 3 HZ1 LYS 3 -3.751 10.509 12.081 28 HZ2 LYS 3 HZ2 LYS 3 -5.277 11.184 12.403 29 HZ3 LYS 3 HZ3 LYS 3 -4.361 11.737 11.082 30 H GLY 4 H GLY 4 -5.854 5.289 7.387 31 HA2 GLY 4 HA2 GLY 4 -8.162 4.856 9.188 32 HA3 GLY 4 HA3 GLY 4 -7.793 3.725 7.887 33 H ILE 5 H ILE 5 -7.802 2.332 9.952 34 HA ILE 5 HA ILE 5 -5.056 2.274 11.074 35 HB ILE 5 HB ILE 5 -6.120 1.001 13.002 36 HG12 ILE 5 HG12 ILE 5 -8.707 2.273 12.068 37 HG13 ILE 5 HG13 ILE 5 -8.297 0.621 11.625 38 HG21 ILE 5 HG21 ILE 5 -5.434 3.407 13.079 39 HG22 ILE 5 HG22 ILE 5 -6.799 3.044 14.138 40 HG23 ILE 5 HG23 ILE 5 -7.069 3.852 12.594 41 HD11 ILE 5 HD11 ILE 5 -9.640 0.547 13.643 42 HD12 ILE 5 HD12 ILE 5 -8.601 1.736 14.428 43 HD13 ILE 5 HD13 ILE 5 -7.986 0.121 14.079 44 H VAL 6 H VAL 6 -3.865 0.567 10.659 45 HA VAL 6 HA VAL 6 -4.801 -1.447 8.892 46 HB VAL 6 HB VAL 6 -2.226 -1.325 10.481 47 HG11 VAL 6 HG11 VAL 6 -2.397 -3.565 9.742 48 HG12 VAL 6 HG12 VAL 6 -1.463 -2.788 8.465 49 HG13 VAL 6 HG13 VAL 6 -3.179 -3.103 8.233 50 HG21 VAL 6 HG21 VAL 6 -1.257 -0.272 8.563 51 HG22 VAL 6 HG22 VAL 6 -2.766 0.590 8.864 52 HG23 VAL 6 HG23 VAL 6 -2.679 -0.608 7.573 53 H LYS 7 H LYS 7 -5.843 -3.235 9.313 54 HA LYS 7 HA LYS 7 -6.502 -4.097 11.950 55 HB2 LYS 7 HB2 LYS 7 -7.921 -4.544 9.936 56 HB3 LYS 7 HB3 LYS 7 -6.695 -5.675 9.365 57 HG2 LYS 7 HG2 LYS 7 -6.968 -7.003 11.448 58 HG3 LYS 7 HG3 LYS 7 -8.226 -5.890 11.978 59 HD2 LYS 7 HD2 LYS 7 -8.386 -7.388 9.354 60 HD3 LYS 7 HD3 LYS 7 -9.040 -8.038 10.857 61 HE2 LYS 7 HE2 LYS 7 -10.436 -5.982 11.096 62 HE3 LYS 7 HE3 LYS 7 -9.837 -5.426 9.533 63 HZ1 LYS 7 HZ1 LYS 7 -11.646 -7.650 10.147 64 HZ2 LYS 7 HZ2 LYS 7 -10.637 -7.778 8.786 65 HZ3 LYS 7 HZ3 LYS 7 -11.739 -6.492 8.912 66 H TRP 8 H TRP 8 -4.244 -5.245 9.468 67 HA TRP 8 HA TRP 8 -2.402 -6.245 11.434 68 HB2 TRP 8 HB2 TRP 8 -4.248 -8.048 11.127 69 HB3 TRP 8 HB3 TRP 8 -3.511 -8.320 9.551 70 HD1 TRP 8 HD1 TRP 8 -1.093 -9.371 9.480 71 HE1 TRP 8 HE1 TRP 8 0.312 -10.625 11.241 72 HE3 TRP 8 HE3 TRP 8 -3.719 -8.196 13.695 73 HZ2 TRP 8 HZ2 TRP 8 0.317 -11.071 14.067 74 HZ3 TRP 8 HZ3 TRP 8 -2.996 -9.049 15.907 75 HH2 TRP 8 HH2 TRP 8 -0.982 -10.484 16.098 76 H PHE 9 H PHE 9 -0.410 -5.892 10.610 77 HA PHE 9 HA PHE 9 -0.141 -5.776 7.648 78 HB2 PHE 9 HB2 PHE 9 0.337 -3.651 8.997 79 HB3 PHE 9 HB3 PHE 9 1.752 -4.496 9.627 80 HD1 PHE 9 HD1 PHE 9 0.266 -2.857 6.726 81 HD2 PHE 9 HD2 PHE 9 3.554 -5.266 8.081 82 HE1 PHE 9 HE1 PHE 9 1.505 -2.334 4.643 83 HE2 PHE 9 HE2 PHE 9 4.792 -4.738 5.999 84 HZ PHE 9 HZ PHE 9 3.770 -3.275 4.283 85 H ASN 10 H ASN 10 1.072 -7.319 6.708 86 HA ASN 10 HA ASN 10 3.067 -8.747 8.377 87 HB2 ASN 10 HB2 ASN 10 1.292 -9.892 6.211 88 HB3 ASN 10 HB3 ASN 10 2.587 -10.768 7.021 89 HD21 ASN 10 HD21 ASN 10 -0.514 -11.035 7.054 90 HD22 ASN 10 HD22 ASN 10 -0.878 -11.104 8.711 91 H SER 11 H SER 11 4.863 -7.579 7.692 92 HA SER 11 HA SER 11 5.445 -6.859 5.042 93 HB2 SER 11 HB2 SER 11 7.288 -7.374 7.385 94 HB3 SER 11 HB3 SER 11 7.779 -6.625 5.869 95 HG SER 11 HG SER 11 6.094 -5.668 7.897 96 H ASP 12 H ASP 12 6.208 -9.776 6.910 97 HA ASP 12 HA ASP 12 8.029 -10.970 5.136 98 HB2 ASP 12 HB2 ASP 12 6.019 -12.188 7.042 99 HB3 ASP 12 HB3 ASP 12 7.196 -13.145 6.148 100 H LYS 13 H LYS 13 4.490 -11.083 5.262 101 HA LYS 13 HA LYS 13 4.213 -12.790 2.960 102 HB2 LYS 13 HB2 LYS 13 2.231 -10.979 4.369 103 HB3 LYS 13 HB3 LYS 13 1.816 -12.127 3.104 104 HG2 LYS 13 HG2 LYS 13 3.212 -12.953 5.660 105 HG3 LYS 13 HG3 LYS 13 1.457 -12.938 5.498 106 HD2 LYS 13 HD2 LYS 13 3.260 -14.469 3.599 107 HD3 LYS 13 HD3 LYS 13 2.583 -15.184 5.061 108 HE2 LYS 13 HE2 LYS 13 0.296 -14.587 4.244 109 HE3 LYS 13 HE3 LYS 13 1.018 -14.015 2.740 110 HZ1 LYS 13 HZ1 LYS 13 0.173 -16.373 2.752 111 HZ2 LYS 13 HZ2 LYS 13 1.474 -16.748 3.779 112 HZ3 LYS 13 HZ3 LYS 13 1.766 -16.157 2.212 113 H GLY 14 H GLY 14 4.519 -9.387 3.570 114 HA2 GLY 14 HA2 GLY 14 5.205 -7.758 2.016 115 HA3 GLY 14 HA3 GLY 14 4.718 -8.827 0.708 116 H PHE 15 H PHE 15 2.270 -8.694 3.044 117 HA PHE 15 HA PHE 15 1.006 -6.266 2.109 118 HB2 PHE 15 HB2 PHE 15 -0.982 -7.374 1.163 119 HB3 PHE 15 HB3 PHE 15 0.475 -7.736 0.239 120 HD1 PHE 15 HD1 PHE 15 -2.037 -9.084 2.586 121 HD2 PHE 15 HD2 PHE 15 1.438 -9.969 0.221 122 HE1 PHE 15 HE1 PHE 15 -2.443 -11.511 2.898 123 HE2 PHE 15 HE2 PHE 15 1.034 -12.394 0.535 124 HZ PHE 15 HZ PHE 15 -0.905 -13.166 1.874 125 H GLY 16 H GLY 16 -1.305 -6.143 2.971 126 HA2 GLY 16 HA2 GLY 16 -1.915 -7.673 5.337 127 HA3 GLY 16 HA3 GLY 16 -1.372 -6.035 5.688 128 H PHE 17 H PHE 17 -3.803 -6.499 6.534 129 HA PHE 17 HA PHE 17 -5.639 -5.373 4.497 130 HB2 PHE 17 HB2 PHE 17 -6.256 -7.123 6.896 131 HB3 PHE 17 HB3 PHE 17 -7.470 -6.381 5.855 132 HD1 PHE 17 HD1 PHE 17 -4.878 -8.976 6.112 133 HD2 PHE 17 HD2 PHE 17 -7.782 -7.130 3.540 134 HE1 PHE 17 HE1 PHE 17 -4.683 -10.875 4.528 135 HE2 PHE 17 HE2 PHE 17 -7.587 -9.029 1.958 136 HZ PHE 17 HZ PHE 17 -6.037 -10.902 2.451 137 H ILE 18 H ILE 18 -6.651 -3.465 4.985 138 HA ILE 18 HA ILE 18 -6.104 -2.354 7.662 139 HB ILE 18 HB ILE 18 -4.885 -1.176 5.899 140 HG12 ILE 18 HG12 ILE 18 -7.149 0.627 6.786 141 HG13 ILE 18 HG13 ILE 18 -5.962 0.010 7.936 142 HG21 ILE 18 HG21 ILE 18 -6.359 0.231 4.301 143 HG22 ILE 18 HG22 ILE 18 -7.651 -0.896 4.716 144 HG23 ILE 18 HG23 ILE 18 -6.181 -1.486 3.945 145 HD11 ILE 18 HD11 ILE 18 -5.386 2.271 6.974 146 HD12 ILE 18 HD12 ILE 18 -5.222 1.489 5.400 147 HD13 ILE 18 HD13 ILE 18 -4.152 1.037 6.725 148 H THR 19 H THR 19 -7.625 -1.231 8.754 149 HA THR 19 HA THR 19 -10.389 -1.788 7.972 150 HB THR 19 HB THR 19 -9.267 -0.891 10.630 151 HG1 THR 19 HG1 THR 19 -9.085 -2.954 11.095 152 HG21 THR 19 HG21 THR 19 -11.994 -1.923 9.792 153 HG22 THR 19 HG22 THR 19 -11.620 -0.315 10.411 154 HG23 THR 19 HG23 THR 19 -11.483 -1.721 11.469 155 HA PRO 20 HA PRO 20 -10.329 2.642 6.694 156 HB2 PRO 20 HB2 PRO 20 -13.224 1.955 6.337 157 HB3 PRO 20 HB3 PRO 20 -12.139 2.844 5.250 158 HG2 PRO 20 HG2 PRO 20 -12.764 0.365 4.696 159 HG3 PRO 20 HG3 PRO 20 -11.085 0.908 4.519 160 HD2 PRO 20 HD2 PRO 20 -12.300 -0.741 6.719 161 HD3 PRO 20 HD3 PRO 20 -10.719 -0.912 5.921 162 H GLU 21 H GLU 21 -10.655 4.388 7.918 163 HA GLU 21 HA GLU 21 -11.607 4.275 10.557 164 HB2 GLU 21 HB2 GLU 21 -9.988 5.950 9.773 165 HB3 GLU 21 HB3 GLU 21 -11.216 6.669 8.737 166 HG2 GLU 21 HG2 GLU 21 -11.043 7.982 10.780 167 HG3 GLU 21 HG3 GLU 21 -12.596 7.143 10.750 168 H ASP 22 H ASP 22 -13.134 5.395 7.559 169 HA ASP 22 HA ASP 22 -15.491 6.443 8.717 170 HB2 ASP 22 HB2 ASP 22 -14.881 5.403 5.950 171 HB3 ASP 22 HB3 ASP 22 -16.428 6.121 6.381 172 H GLY 23 H GLY 23 -14.477 3.194 8.307 173 HA2 GLY 23 HA2 GLY 23 -15.646 1.381 9.344 174 HA3 GLY 23 HA3 GLY 23 -17.159 2.239 9.069 175 H SER 24 H SER 24 -15.114 2.424 6.372 176 HA SER 24 HA SER 24 -16.864 0.856 4.737 177 HB2 SER 24 HB2 SER 24 -14.151 2.061 4.163 178 HB3 SER 24 HB3 SER 24 -15.195 1.328 2.957 179 HG SER 24 HG SER 24 -15.447 3.620 3.126 180 H LYS 25 H LYS 25 -15.979 -0.886 3.274 181 HA LYS 25 HA LYS 25 -15.088 -3.084 4.808 182 HB2 LYS 25 HB2 LYS 25 -15.213 -2.668 1.813 183 HB3 LYS 25 HB3 LYS 25 -14.849 -4.214 2.580 184 HG2 LYS 25 HG2 LYS 25 -17.012 -4.136 3.769 185 HG3 LYS 25 HG3 LYS 25 -17.378 -2.592 3.000 186 HD2 LYS 25 HD2 LYS 25 -17.262 -3.664 0.781 187 HD3 LYS 25 HD3 LYS 25 -16.895 -5.210 1.546 188 HE2 LYS 25 HE2 LYS 25 -19.053 -5.143 2.734 189 HE3 LYS 25 HE3 LYS 25 -19.424 -3.593 1.979 190 HZ1 LYS 25 HZ1 LYS 25 -19.034 -6.198 0.612 191 HZ2 LYS 25 HZ2 LYS 25 -19.192 -4.713 -0.199 192 HZ3 LYS 25 HZ3 LYS 25 -20.477 -5.316 0.736 193 H ASP 26 H ASP 26 -13.114 -4.234 4.776 194 HA ASP 26 HA ASP 26 -10.791 -2.734 4.963 195 HB2 ASP 26 HB2 ASP 26 -11.222 -5.684 4.523 196 HB3 ASP 26 HB3 ASP 26 -9.633 -4.985 4.807 197 H LEU 27 H LEU 27 -9.061 -2.350 3.689 198 HA LEU 27 HA LEU 27 -9.357 -2.936 0.800 199 HB2 LEU 27 HB2 LEU 27 -7.966 -0.587 2.129 200 HB3 LEU 27 HB3 LEU 27 -8.081 -0.866 0.396 201 HG LEU 27 HG LEU 27 -10.492 -0.520 2.211 202 HD11 LEU 27 HD11 LEU 27 -10.636 1.749 1.346 203 HD12 LEU 27 HD12 LEU 27 -9.232 1.484 0.313 204 HD13 LEU 27 HD13 LEU 27 -9.043 1.524 2.066 205 HD21 LEU 27 HD21 LEU 27 -11.628 -0.087 0.006 206 HD22 LEU 27 HD22 LEU 27 -11.021 -1.734 0.166 207 HD23 LEU 27 HD23 LEU 27 -10.136 -0.559 -0.806 208 H PHE 28 H PHE 28 -7.476 -3.513 -0.359 209 HA PHE 28 HA PHE 28 -5.519 -4.982 1.169 210 HB2 PHE 28 HB2 PHE 28 -5.845 -4.443 -1.789 211 HB3 PHE 28 HB3 PHE 28 -4.541 -5.429 -1.120 212 HD1 PHE 28 HD1 PHE 28 -8.169 -5.201 -1.708 213 HD2 PHE 28 HD2 PHE 28 -4.994 -7.597 -0.090 214 HE1 PHE 28 HE1 PHE 28 -9.694 -7.156 -1.611 215 HE2 PHE 28 HE2 PHE 28 -6.516 -9.550 0.007 216 HZ PHE 28 HZ PHE 28 -8.864 -9.331 -0.755 217 H VAL 29 H VAL 29 -3.498 -4.379 1.722 218 HA VAL 29 HA VAL 29 -2.380 -1.901 0.563 219 HB VAL 29 HB VAL 29 -2.353 -2.716 3.480 220 HG11 VAL 29 HG11 VAL 29 -0.276 -1.537 2.633 221 HG12 VAL 29 HG12 VAL 29 -1.133 -0.689 3.919 222 HG13 VAL 29 HG13 VAL 29 -1.308 -0.162 2.248 223 HG21 VAL 29 HG21 VAL 29 -3.895 -1.002 3.918 224 HG22 VAL 29 HG22 VAL 29 -4.506 -1.693 2.416 225 HG23 VAL 29 HG23 VAL 29 -3.580 -0.193 2.386 226 H HIS 30 H HIS 30 -0.293 -2.127 -0.110 227 HA HIS 30 HA HIS 30 1.114 -4.628 0.619 228 HB2 HIS 30 HB2 HIS 30 1.369 -2.923 -1.868 229 HB3 HIS 30 HB3 HIS 30 2.356 -4.339 -1.511 230 HD2 HIS 30 HD2 HIS 30 -0.989 -3.542 -3.174 231 HE1 HIS 30 HE1 HIS 30 -1.105 -7.662 -2.261 232 HE2 HIS 30 HE2 HIS 30 -2.253 -5.797 -3.546 233 H HIS 31 H HIS 31 3.213 -4.589 1.234 234 HA HIS 31 HA HIS 31 4.179 -2.326 2.647 235 HB2 HIS 31 HB2 HIS 31 4.782 -4.706 3.166 236 HB3 HIS 31 HB3 HIS 31 5.779 -4.725 1.710 237 HD2 HIS 31 HD2 HIS 31 5.915 -3.341 5.363 238 HE1 HIS 31 HE1 HIS 31 9.476 -2.165 3.422 239 HE2 HIS 31 HE2 HIS 31 8.276 -2.268 5.658 240 H SER 32 H SER 32 5.097 -3.751 -0.460 241 HA SER 32 HA SER 32 7.180 -1.912 -1.052 242 HB2 SER 32 HB2 SER 32 7.132 -2.881 -3.282 243 HB3 SER 32 HB3 SER 32 6.994 -4.151 -2.069 244 HG SER 32 HG SER 32 5.462 -4.230 -3.873 245 H GLU 33 H GLU 33 3.814 -1.439 -1.088 246 HA GLU 33 HA GLU 33 3.558 0.243 -3.374 247 HB2 GLU 33 HB2 GLU 33 1.679 -0.890 -2.101 248 HB3 GLU 33 HB3 GLU 33 1.861 0.365 -0.879 249 HG2 GLU 33 HG2 GLU 33 0.120 1.053 -2.421 250 HG3 GLU 33 HG3 GLU 33 1.526 2.083 -2.676 251 H ILE 34 H ILE 34 4.674 0.820 -0.103 252 HA ILE 34 HA ILE 34 4.301 3.606 0.047 253 HB ILE 34 HB ILE 34 4.892 2.196 1.986 254 HG12 ILE 34 HG12 ILE 34 7.106 4.225 1.598 255 HG13 ILE 34 HG13 ILE 34 5.431 4.724 1.816 256 HG21 ILE 34 HG21 ILE 34 6.962 1.135 2.258 257 HG22 ILE 34 HG22 ILE 34 7.766 2.161 1.069 258 HG23 ILE 34 HG23 ILE 34 6.663 0.897 0.538 259 HD11 ILE 34 HD11 ILE 34 5.327 3.558 3.965 260 HD12 ILE 34 HD12 ILE 34 6.696 4.672 3.966 261 HD13 ILE 34 HD13 ILE 34 6.965 2.945 3.736 262 H GLN 35 H GLN 35 5.417 5.327 -0.693 263 HA GLN 35 HA GLN 35 7.660 4.799 -2.543 264 HB2 GLN 35 HB2 GLN 35 5.607 5.919 -3.462 265 HB3 GLN 35 HB3 GLN 35 5.904 7.262 -2.361 266 HG2 GLN 35 HG2 GLN 35 8.093 7.659 -3.393 267 HG3 GLN 35 HG3 GLN 35 7.859 6.276 -4.460 268 HE21 GLN 35 HE21 GLN 35 8.062 9.334 -4.976 269 HE22 GLN 35 HE22 GLN 35 6.715 9.656 -5.958 270 H SER 36 H SER 36 9.587 5.157 -1.671 271 HA SER 36 HA SER 36 11.306 6.058 -0.449 272 HB2 SER 36 HB2 SER 36 10.665 8.058 -1.839 273 HB3 SER 36 HB3 SER 36 9.669 8.601 -0.493 274 HG SER 36 HG SER 36 12.457 8.386 -0.714 275 H GLY 37 H GLY 37 11.901 7.032 1.656 276 HA2 GLY 37 HA2 GLY 37 11.672 7.319 3.935 277 HA3 GLY 37 HA3 GLY 37 9.934 7.441 3.695 278 H GLY 38 H GLY 38 11.355 4.602 2.378 279 HA2 GLY 38 HA2 GLY 38 10.024 2.962 4.397 280 HA3 GLY 38 HA3 GLY 38 10.674 2.404 2.863 281 H GLU 39 H GLU 39 13.044 4.299 4.230 282 HA GLU 39 HA GLU 39 14.805 2.155 4.729 283 HB2 GLU 39 HB2 GLU 39 14.905 5.071 5.523 284 HB3 GLU 39 HB3 GLU 39 16.229 3.945 5.812 285 HG2 GLU 39 HG2 GLU 39 15.029 4.569 3.095 286 HG3 GLU 39 HG3 GLU 39 16.547 5.217 3.704 287 H TYR 40 H TYR 40 12.846 4.155 6.911 288 HA TYR 40 HA TYR 40 13.488 2.270 9.110 289 HB2 TYR 40 HB2 TYR 40 12.905 5.232 9.290 290 HB3 TYR 40 HB3 TYR 40 13.104 4.155 10.672 291 HD1 TYR 40 HD1 TYR 40 14.809 5.924 7.949 292 HD2 TYR 40 HD2 TYR 40 15.291 3.116 11.163 293 HE1 TYR 40 HE1 TYR 40 17.270 6.197 7.817 294 HE2 TYR 40 HE2 TYR 40 17.752 3.387 11.032 295 HH TYR 40 HH TYR 40 19.383 4.279 8.758 296 H ALA 41 H ALA 41 11.000 3.839 7.273 297 HA ALA 41 HA ALA 41 8.849 3.696 9.079 298 HB1 ALA 41 HB1 ALA 41 8.840 3.477 6.061 299 HB2 ALA 41 HB2 ALA 41 8.710 4.965 6.999 300 HB3 ALA 41 HB3 ALA 41 7.418 3.767 7.063 301 H THR 42 H THR 42 7.737 2.073 9.878 302 HA THR 42 HA THR 42 7.709 -0.527 8.476 303 HB THR 42 HB THR 42 7.898 -1.677 10.651 304 HG1 THR 42 HG1 THR 42 8.204 -0.550 12.478 305 HG21 THR 42 HG21 THR 42 10.314 -0.976 11.129 306 HG22 THR 42 HG22 THR 42 10.099 0.240 9.869 307 HG23 THR 42 HG23 THR 42 9.957 -1.473 9.476 308 H LEU 43 H LEU 43 5.904 -1.926 9.164 309 HA LEU 43 HA LEU 43 3.629 -0.475 10.344 310 HB2 LEU 43 HB2 LEU 43 3.491 -2.085 7.786 311 HB3 LEU 43 HB3 LEU 43 2.119 -1.370 8.613 312 HG LEU 43 HG LEU 43 4.469 0.226 7.542 313 HD11 LEU 43 HD11 LEU 43 1.758 -0.400 6.342 314 HD12 LEU 43 HD12 LEU 43 3.343 -0.757 5.653 315 HD13 LEU 43 HD13 LEU 43 2.789 0.913 5.773 316 HD21 LEU 43 HD21 LEU 43 1.792 0.933 8.767 317 HD22 LEU 43 HD22 LEU 43 2.643 2.071 7.720 318 HD23 LEU 43 HD23 LEU 43 3.392 1.520 9.215 319 H ALA 44 H ALA 44 2.135 -1.805 11.428 320 HA ALA 44 HA ALA 44 2.653 -4.689 11.551 321 HB1 ALA 44 HB1 ALA 44 2.492 -3.115 14.116 322 HB2 ALA 44 HB2 ALA 44 4.038 -3.374 13.307 323 HB3 ALA 44 HB3 ALA 44 3.093 -4.755 13.864 324 H ASP 45 H ASP 45 0.957 -5.056 13.919 325 HA ASP 45 HA ASP 45 -1.615 -4.771 12.610 326 HB2 ASP 45 HB2 ASP 45 -2.445 -6.158 14.477 327 HB3 ASP 45 HB3 ASP 45 -1.070 -6.898 13.666 328 H GLY 46 H GLY 46 -2.725 -2.960 12.816 329 HA2 GLY 46 HA2 GLY 46 -4.111 -1.515 14.119 330 HA3 GLY 46 HA3 GLY 46 -3.019 -1.733 15.478 331 H GLN 47 H GLN 47 -1.125 -1.267 12.778 332 HA GLN 47 HA GLN 47 -0.214 1.292 13.585 333 HB2 GLN 47 HB2 GLN 47 1.147 -0.466 12.442 334 HB3 GLN 47 HB3 GLN 47 0.256 -0.137 10.960 335 HG2 GLN 47 HG2 GLN 47 2.385 1.078 10.975 336 HG3 GLN 47 HG3 GLN 47 1.038 2.201 11.009 337 HE21 GLN 47 HE21 GLN 47 1.502 3.900 12.419 338 HE22 GLN 47 HE22 GLN 47 2.329 3.744 13.893 339 H THR 48 H THR 48 -0.782 3.285 12.969 340 HA THR 48 HA THR 48 -3.089 3.636 11.227 341 HB THR 48 HB THR 48 -1.433 5.700 12.717 342 HG1 THR 48 HG1 THR 48 -2.400 4.273 14.141 343 HG21 THR 48 HG21 THR 48 -2.903 6.462 10.764 344 HG22 THR 48 HG22 THR 48 -3.243 7.210 12.324 345 HG23 THR 48 HG23 THR 48 -4.280 5.920 11.721 346 H VAL 49 H VAL 49 -3.003 4.206 9.150 347 HA VAL 49 HA VAL 49 -0.565 5.469 8.085 348 HB VAL 49 HB VAL 49 -0.548 3.946 6.137 349 HG11 VAL 49 HG11 VAL 49 0.257 1.907 7.395 350 HG12 VAL 49 HG12 VAL 49 -0.306 2.678 8.878 351 HG13 VAL 49 HG13 VAL 49 0.978 3.426 7.926 352 HG21 VAL 49 HG21 VAL 49 -2.700 2.508 7.717 353 HG22 VAL 49 HG22 VAL 49 -1.823 1.780 6.369 354 HG23 VAL 49 HG23 VAL 49 -2.848 3.190 6.098 355 H GLU 50 H GLU 50 -0.857 6.210 5.819 356 HA GLU 50 HA GLU 50 -3.630 7.137 5.330 357 HB2 GLU 50 HB2 GLU 50 -1.037 8.590 4.727 358 HB3 GLU 50 HB3 GLU 50 -2.650 9.156 4.292 359 HG2 GLU 50 HG2 GLU 50 -3.275 9.200 6.683 360 HG3 GLU 50 HG3 GLU 50 -1.656 8.652 7.114 361 H TYR 51 H TYR 51 -4.394 6.906 3.238 362 HA TYR 51 HA TYR 51 -2.593 6.116 1.098 363 HB2 TYR 51 HB2 TYR 51 -3.699 3.957 0.679 364 HB3 TYR 51 HB3 TYR 51 -2.912 3.985 2.254 365 HD1 TYR 51 HD1 TYR 51 -6.143 3.998 0.482 366 HD2 TYR 51 HD2 TYR 51 -4.224 4.037 4.324 367 HE1 TYR 51 HE1 TYR 51 -8.306 3.460 1.567 368 HE2 TYR 51 HE2 TYR 51 -6.386 3.495 5.409 369 HH TYR 51 HH TYR 51 -8.620 2.261 4.538 370 H GLU 52 H GLU 52 -3.721 5.696 -0.939 371 HA GLU 52 HA GLU 52 -6.251 7.215 -1.164 372 HB2 GLU 52 HB2 GLU 52 -4.282 8.388 -2.170 373 HB3 GLU 52 HB3 GLU 52 -4.032 6.995 -3.224 374 HG2 GLU 52 HG2 GLU 52 -6.270 7.311 -4.198 375 HG3 GLU 52 HG3 GLU 52 -6.554 8.679 -3.124 376 H VAL 53 H VAL 53 -7.912 6.072 -1.952 377 HA VAL 53 HA VAL 53 -7.817 3.320 -2.437 378 HB VAL 53 HB VAL 53 -9.869 4.568 -1.840 379 HG11 VAL 53 HG11 VAL 53 -9.863 5.514 -4.722 380 HG12 VAL 53 HG12 VAL 53 -9.441 6.527 -3.341 381 HG13 VAL 53 HG13 VAL 53 -11.073 5.878 -3.491 382 HG21 VAL 53 HG21 VAL 53 -9.886 2.307 -3.042 383 HG22 VAL 53 HG22 VAL 53 -10.273 3.202 -4.510 384 HG23 VAL 53 HG23 VAL 53 -11.377 3.244 -3.135 385 H GLY 54 H GLY 54 -7.937 2.083 -4.305 386 HA2 GLY 54 HA2 GLY 54 -7.271 3.387 -6.868 387 HA3 GLY 54 HA3 GLY 54 -6.272 2.059 -6.279 388 H GLN 55 H GLN 55 -7.847 2.117 -8.726 389 HA GLN 55 HA GLN 55 -10.134 0.379 -8.229 390 HB2 GLN 55 HB2 GLN 55 -10.178 2.209 -9.949 391 HB3 GLN 55 HB3 GLN 55 -8.988 1.297 -10.877 392 HG2 GLN 55 HG2 GLN 55 -11.229 0.814 -11.726 393 HG3 GLN 55 HG3 GLN 55 -10.567 -0.627 -10.962 394 HE21 GLN 55 HE21 GLN 55 -12.184 -1.665 -9.792 395 HE22 GLN 55 HE22 GLN 55 -13.375 -0.883 -8.872 396 H GLY 56 H GLY 56 -10.101 -1.764 -8.325 397 HA2 GLY 56 HA2 GLY 56 -7.924 -3.132 -9.781 398 HA3 GLY 56 HA3 GLY 56 -8.312 -3.598 -8.127 399 H GLN 57 H GLN 57 -8.480 -5.139 -10.665 400 HA GLN 57 HA GLN 57 -11.166 -5.464 -11.485 401 HB2 GLN 57 HB2 GLN 57 -8.782 -7.317 -11.591 402 HB3 GLN 57 HB3 GLN 57 -10.341 -7.700 -12.325 403 HG2 GLN 57 HG2 GLN 57 -10.223 -5.758 -13.757 404 HG3 GLN 57 HG3 GLN 57 -8.785 -5.174 -12.923 405 HE21 GLN 57 HE21 GLN 57 -9.131 -5.936 -15.829 406 HE22 GLN 57 HE22 GLN 57 -7.953 -7.124 -16.116 407 H LYS 58 H LYS 58 -9.238 -7.122 -9.002 408 HA LYS 58 HA LYS 58 -11.479 -8.830 -8.254 409 HB2 LYS 58 HB2 LYS 58 -8.687 -8.536 -7.131 410 HB3 LYS 58 HB3 LYS 58 -9.878 -9.691 -6.536 411 HG2 LYS 58 HG2 LYS 58 -10.044 -10.657 -8.829 412 HG3 LYS 58 HG3 LYS 58 -8.777 -9.555 -9.359 413 HD2 LYS 58 HD2 LYS 58 -8.401 -11.507 -7.074 414 HD3 LYS 58 HD3 LYS 58 -8.000 -11.902 -8.743 415 HE2 LYS 58 HE2 LYS 58 -6.854 -9.554 -7.195 416 HE3 LYS 58 HE3 LYS 58 -6.021 -11.082 -7.473 417 HZ1 LYS 58 HZ1 LYS 58 -5.253 -9.793 -9.193 418 HZ2 LYS 58 HZ2 LYS 58 -6.729 -8.976 -9.400 419 HZ3 LYS 58 HZ3 LYS 58 -6.559 -10.579 -9.935 420 H GLY 59 H GLY 59 -10.125 -5.799 -7.296 421 HA2 GLY 59 HA2 GLY 59 -12.183 -4.892 -5.739 422 HA3 GLY 59 HA3 GLY 59 -11.149 -5.761 -4.605 423 HA PRO 60 HA PRO 60 -9.418 -1.425 -5.636 424 HB2 PRO 60 HB2 PRO 60 -10.128 0.014 -3.450 425 HB3 PRO 60 HB3 PRO 60 -11.175 -0.132 -4.877 426 HG2 PRO 60 HG2 PRO 60 -11.287 -1.623 -2.296 427 HG3 PRO 60 HG3 PRO 60 -12.602 -0.888 -3.227 428 HD2 PRO 60 HD2 PRO 60 -12.058 -3.557 -3.334 429 HD3 PRO 60 HD3 PRO 60 -12.713 -2.664 -4.725 430 H CYS 61 H CYS 61 -7.530 -0.558 -4.765 431 HA CYS 61 HA CYS 61 -6.383 -1.971 -2.428 432 HB2 CYS 61 HB2 CYS 61 -4.956 -1.036 -4.931 433 HB3 CYS 61 HB3 CYS 61 -4.189 -1.787 -3.534 434 HG CYS 61 HG CYS 61 -5.048 -4.026 -4.236 435 H ALA 62 H ALA 62 -4.280 -0.604 -1.742 436 HA ALA 62 HA ALA 62 -5.157 2.215 -1.509 437 HB1 ALA 62 HB1 ALA 62 -4.167 0.244 0.466 438 HB2 ALA 62 HB2 ALA 62 -5.263 1.605 0.688 439 HB3 ALA 62 HB3 ALA 62 -3.522 1.877 0.628 440 H ASN 63 H ASN 63 -3.707 3.776 -2.080 441 HA ASN 63 HA ASN 63 -0.977 2.910 -2.824 442 HB2 ASN 63 HB2 ASN 63 -2.514 3.568 -4.720 443 HB3 ASN 63 HB3 ASN 63 -2.543 5.193 -4.039 444 HD21 ASN 63 HD21 ASN 63 -1.372 6.182 -5.797 445 HD22 ASN 63 HD22 ASN 63 0.263 5.840 -6.100 446 H LYS 64 H LYS 64 0.683 4.589 -2.664 447 HA LYS 64 HA LYS 64 1.880 6.113 -1.438 448 HB2 LYS 64 HB2 LYS 64 -0.829 7.467 -1.335 449 HB3 LYS 64 HB3 LYS 64 0.685 8.220 -0.837 450 HG2 LYS 64 HG2 LYS 64 1.601 7.945 -3.091 451 HG3 LYS 64 HG3 LYS 64 0.145 7.093 -3.603 452 HD2 LYS 64 HD2 LYS 64 -0.126 9.337 -4.372 453 HD3 LYS 64 HD3 LYS 64 -1.151 9.200 -2.945 454 HE2 LYS 64 HE2 LYS 64 0.103 11.283 -2.814 455 HE3 LYS 64 HE3 LYS 64 0.704 10.181 -1.575 456 HZ1 LYS 64 HZ1 LYS 64 1.935 10.438 -4.260 457 HZ2 LYS 64 HZ2 LYS 64 2.567 9.637 -2.900 458 HZ3 LYS 64 HZ3 LYS 64 2.451 11.332 -2.914 459 H VAL 65 H VAL 65 1.394 3.931 -0.020 460 HA VAL 65 HA VAL 65 0.026 4.405 2.463 461 HB VAL 65 HB VAL 65 2.036 2.258 1.701 462 HG11 VAL 65 HG11 VAL 65 0.044 2.371 3.989 463 HG12 VAL 65 HG12 VAL 65 1.794 2.521 4.150 464 HG13 VAL 65 HG13 VAL 65 1.087 1.002 3.599 465 HG21 VAL 65 HG21 VAL 65 -0.131 2.421 0.352 466 HG22 VAL 65 HG22 VAL 65 -0.981 2.038 1.849 467 HG23 VAL 65 HG23 VAL 65 0.157 0.880 1.158 468 H VAL 66 H VAL 66 0.748 5.566 4.083 469 HA VAL 66 HA VAL 66 3.626 5.653 4.676 470 HB VAL 66 HB VAL 66 3.173 7.623 3.266 471 HG11 VAL 66 HG11 VAL 66 0.768 7.870 3.912 472 HG12 VAL 66 HG12 VAL 66 1.671 9.383 3.994 473 HG13 VAL 66 HG13 VAL 66 1.292 8.502 5.474 474 HG21 VAL 66 HG21 VAL 66 4.087 9.325 4.799 475 HG22 VAL 66 HG22 VAL 66 4.879 7.769 5.048 476 HG23 VAL 66 HG23 VAL 66 3.647 8.322 6.182 477 H ALA 67 H ALA 67 4.070 5.487 6.770 478 HA ALA 67 HA ALA 67 1.952 5.108 8.675 479 HB1 ALA 67 HB1 ALA 67 4.950 5.003 8.768 480 HB2 ALA 67 HB2 ALA 67 3.782 3.718 9.074 481 HB3 ALA 67 HB3 ALA 67 4.017 4.998 10.266 482 H VAL 68 H VAL 68 1.381 6.368 10.408 483 HA VAL 68 HA VAL 68 1.737 9.202 10.127 484 HB VAL 68 HB VAL 68 0.545 7.659 12.457 485 HG11 VAL 68 HG11 VAL 68 0.050 10.514 11.563 486 HG12 VAL 68 HG12 VAL 68 1.165 10.078 12.857 487 HG13 VAL 68 HG13 VAL 68 -0.557 9.734 13.024 488 HG21 VAL 68 HG21 VAL 68 -0.682 8.747 9.906 489 HG22 VAL 68 HG22 VAL 68 -1.635 8.290 11.318 490 HG23 VAL 68 HG23 VAL 68 -0.684 7.074 10.466 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -6.926 13.923 1.140 2 H2 MET 1 HT2 MET 1 -7.003 14.020 2.834 3 H3 MET 1 HT3 MET 1 -8.069 13.004 1.987 4 HA MET 1 HA MET 1 -5.916 11.880 1.138 5 HB2 MET 1 HB2 MET 1 -4.493 13.666 2.205 6 HB3 MET 1 HB3 MET 1 -5.013 13.069 3.779 7 HG2 MET 1 HG2 MET 1 -4.083 10.844 3.247 8 HG3 MET 1 HG3 MET 1 -3.564 11.438 1.671 9 HE1 MET 1 HE1 MET 1 -0.796 13.880 2.277 10 HE2 MET 1 HE2 MET 1 -2.491 14.351 2.159 11 HE3 MET 1 HE3 MET 1 -1.881 13.028 1.169 12 H SER 2 H SER 2 -7.155 10.084 1.360 13 HA SER 2 HA SER 2 -8.605 9.344 3.671 14 HB2 SER 2 HB2 SER 2 -9.184 8.438 1.495 15 HB3 SER 2 HB3 SER 2 -7.609 7.667 1.356 16 HG SER 2 HG SER 2 -8.733 6.069 2.208 17 H LYS 3 H LYS 3 -8.155 7.999 5.347 18 HA LYS 3 HA LYS 3 -5.705 6.480 5.530 19 HB2 LYS 3 HB2 LYS 3 -4.779 7.680 7.459 20 HB3 LYS 3 HB3 LYS 3 -4.865 8.734 6.050 21 HG2 LYS 3 HG2 LYS 3 -6.977 9.705 6.911 22 HG3 LYS 3 HG3 LYS 3 -6.857 8.669 8.337 23 HD2 LYS 3 HD2 LYS 3 -4.666 9.712 8.882 24 HD3 LYS 3 HD3 LYS 3 -4.857 10.790 7.499 25 HE2 LYS 3 HE2 LYS 3 -6.788 10.610 9.832 26 HE3 LYS 3 HE3 LYS 3 -5.565 11.865 9.629 27 HZ1 LYS 3 HZ1 LYS 3 -8.027 11.401 8.099 28 HZ2 LYS 3 HZ2 LYS 3 -6.700 12.121 7.316 29 HZ3 LYS 3 HZ3 LYS 3 -7.380 12.855 8.690 30 H GLY 4 H GLY 4 -5.736 4.988 7.223 31 HA2 GLY 4 HA2 GLY 4 -7.998 5.019 9.088 32 HA3 GLY 4 HA3 GLY 4 -7.907 3.673 7.957 33 H ILE 5 H ILE 5 -7.766 2.332 9.878 34 HA ILE 5 HA ILE 5 -5.027 2.289 11.018 35 HB ILE 5 HB ILE 5 -6.078 1.038 12.951 36 HG12 ILE 5 HG12 ILE 5 -8.693 2.212 11.963 37 HG13 ILE 5 HG13 ILE 5 -8.232 0.556 11.587 38 HG21 ILE 5 HG21 ILE 5 -5.447 3.380 13.162 39 HG22 ILE 5 HG22 ILE 5 -6.989 3.128 13.981 40 HG23 ILE 5 HG23 ILE 5 -6.950 3.889 12.392 41 HD11 ILE 5 HD11 ILE 5 -9.591 0.508 13.587 42 HD12 ILE 5 HD12 ILE 5 -8.611 1.768 14.339 43 HD13 ILE 5 HD13 ILE 5 -7.928 0.165 14.064 44 H VAL 6 H VAL 6 -3.839 0.568 10.641 45 HA VAL 6 HA VAL 6 -4.745 -1.427 8.844 46 HB VAL 6 HB VAL 6 -2.209 -1.341 10.498 47 HG11 VAL 6 HG11 VAL 6 -3.128 -3.098 8.218 48 HG12 VAL 6 HG12 VAL 6 -2.376 -3.574 9.740 49 HG13 VAL 6 HG13 VAL 6 -1.412 -2.798 8.488 50 HG21 VAL 6 HG21 VAL 6 -2.692 0.588 8.880 51 HG22 VAL 6 HG22 VAL 6 -2.581 -0.603 7.583 52 HG23 VAL 6 HG23 VAL 6 -1.184 -0.284 8.611 53 H LYS 7 H LYS 7 -5.803 -3.214 9.228 54 HA LYS 7 HA LYS 7 -6.558 -4.085 11.833 55 HB2 LYS 7 HB2 LYS 7 -7.921 -4.508 9.792 56 HB3 LYS 7 HB3 LYS 7 -6.671 -5.606 9.206 57 HG2 LYS 7 HG2 LYS 7 -6.992 -7.043 11.184 58 HG3 LYS 7 HG3 LYS 7 -8.226 -5.938 11.794 59 HD2 LYS 7 HD2 LYS 7 -9.596 -6.350 9.783 60 HD3 LYS 7 HD3 LYS 7 -8.364 -7.456 9.170 61 HE2 LYS 7 HE2 LYS 7 -8.671 -8.901 11.144 62 HE3 LYS 7 HE3 LYS 7 -9.893 -7.796 11.768 63 HZ1 LYS 7 HZ1 LYS 7 -11.123 -9.407 10.680 64 HZ2 LYS 7 HZ2 LYS 7 -10.018 -9.542 9.396 65 HZ3 LYS 7 HZ3 LYS 7 -11.021 -8.176 9.517 66 H TRP 8 H TRP 8 -4.231 -5.241 9.419 67 HA TRP 8 HA TRP 8 -2.460 -6.275 11.443 68 HB2 TRP 8 HB2 TRP 8 -4.304 -8.057 11.029 69 HB3 TRP 8 HB3 TRP 8 -3.516 -8.299 9.471 70 HD1 TRP 8 HD1 TRP 8 -1.146 -9.442 9.450 71 HE1 TRP 8 HE1 TRP 8 0.188 -10.736 11.237 72 HE3 TRP 8 HE3 TRP 8 -3.815 -8.188 13.619 73 HZ2 TRP 8 HZ2 TRP 8 0.127 -11.184 14.062 74 HZ3 TRP 8 HZ3 TRP 8 -3.159 -9.066 15.842 75 HH2 TRP 8 HH2 TRP 8 -1.194 -10.560 16.069 76 H PHE 9 H PHE 9 -0.452 -5.851 10.697 77 HA PHE 9 HA PHE 9 -0.067 -5.710 7.750 78 HB2 PHE 9 HB2 PHE 9 0.370 -3.611 9.153 79 HB3 PHE 9 HB3 PHE 9 1.757 -4.475 9.818 80 HD1 PHE 9 HD1 PHE 9 0.373 -2.795 6.885 81 HD2 PHE 9 HD2 PHE 9 3.618 -5.210 8.333 82 HE1 PHE 9 HE1 PHE 9 1.686 -2.244 4.856 83 HE2 PHE 9 HE2 PHE 9 4.930 -4.650 6.305 84 HZ PHE 9 HZ PHE 9 3.968 -3.170 4.568 85 H ASN 10 H ASN 10 1.151 -7.272 6.838 86 HA ASN 10 HA ASN 10 3.135 -8.672 8.539 87 HB2 ASN 10 HB2 ASN 10 1.176 -9.855 6.569 88 HB3 ASN 10 HB3 ASN 10 2.590 -10.727 7.154 89 HD21 ASN 10 HD21 ASN 10 -0.159 -11.542 7.678 90 HD22 ASN 10 HD22 ASN 10 -0.400 -11.451 9.355 91 H SER 11 H SER 11 4.958 -7.657 7.774 92 HA SER 11 HA SER 11 5.490 -7.000 5.095 93 HB2 SER 11 HB2 SER 11 7.382 -7.564 7.386 94 HB3 SER 11 HB3 SER 11 7.856 -6.860 5.843 95 HG SER 11 HG SER 11 6.152 -5.814 7.840 96 H ASP 12 H ASP 12 6.161 -9.927 6.983 97 HA ASP 12 HA ASP 12 7.894 -11.246 5.225 98 HB2 ASP 12 HB2 ASP 12 7.327 -12.051 7.504 99 HB3 ASP 12 HB3 ASP 12 5.719 -12.495 6.930 100 H LYS 13 H LYS 13 4.353 -11.233 5.356 101 HA LYS 13 HA LYS 13 4.016 -12.845 2.998 102 HB2 LYS 13 HB2 LYS 13 2.122 -11.071 4.562 103 HB3 LYS 13 HB3 LYS 13 1.630 -12.065 3.189 104 HG2 LYS 13 HG2 LYS 13 2.319 -14.093 4.325 105 HG3 LYS 13 HG3 LYS 13 3.026 -13.164 5.647 106 HD2 LYS 13 HD2 LYS 13 0.901 -13.940 6.438 107 HD3 LYS 13 HD3 LYS 13 0.697 -12.225 6.075 108 HE2 LYS 13 HE2 LYS 13 -0.323 -12.772 3.922 109 HE3 LYS 13 HE3 LYS 13 -0.051 -14.490 4.198 110 HZ1 LYS 13 HZ1 LYS 13 -1.723 -12.725 5.902 111 HZ2 LYS 13 HZ2 LYS 13 -1.492 -14.393 6.116 112 HZ3 LYS 13 HZ3 LYS 13 -2.318 -13.816 4.748 113 H GLY 14 H GLY 14 4.600 -9.510 3.678 114 HA2 GLY 14 HA2 GLY 14 5.283 -7.850 2.184 115 HA3 GLY 14 HA3 GLY 14 4.760 -8.864 0.848 116 H PHE 15 H PHE 15 2.305 -8.677 3.176 117 HA PHE 15 HA PHE 15 1.161 -6.170 2.331 118 HB2 PHE 15 HB2 PHE 15 -0.849 -7.133 1.271 119 HB3 PHE 15 HB3 PHE 15 0.620 -7.483 0.361 120 HD1 PHE 15 HD1 PHE 15 -2.035 -8.895 2.489 121 HD2 PHE 15 HD2 PHE 15 1.538 -9.744 0.263 122 HE1 PHE 15 HE1 PHE 15 -2.534 -11.321 2.612 123 HE2 PHE 15 HE2 PHE 15 1.040 -12.170 0.387 124 HZ PHE 15 HZ PHE 15 -0.996 -12.959 1.561 125 H GLY 16 H GLY 16 -1.226 -6.079 3.091 126 HA2 GLY 16 HA2 GLY 16 -1.897 -7.678 5.394 127 HA3 GLY 16 HA3 GLY 16 -1.374 -6.047 5.807 128 H PHE 17 H PHE 17 -3.810 -6.494 6.581 129 HA PHE 17 HA PHE 17 -5.606 -5.375 4.504 130 HB2 PHE 17 HB2 PHE 17 -6.269 -7.082 6.921 131 HB3 PHE 17 HB3 PHE 17 -7.460 -6.354 5.846 132 HD1 PHE 17 HD1 PHE 17 -4.886 -8.954 6.198 133 HD2 PHE 17 HD2 PHE 17 -7.736 -7.147 3.539 134 HE1 PHE 17 HE1 PHE 17 -4.670 -10.883 4.657 135 HE2 PHE 17 HE2 PHE 17 -7.521 -9.078 1.998 136 HZ PHE 17 HZ PHE 17 -5.988 -10.946 2.556 137 H ILE 18 H ILE 18 -6.582 -3.439 4.944 138 HA ILE 18 HA ILE 18 -6.072 -2.300 7.614 139 HB ILE 18 HB ILE 18 -4.825 -1.161 5.844 140 HG12 ILE 18 HG12 ILE 18 -7.079 0.670 6.693 141 HG13 ILE 18 HG13 ILE 18 -5.901 0.059 7.857 142 HG21 ILE 18 HG21 ILE 18 -6.104 -1.483 3.882 143 HG22 ILE 18 HG22 ILE 18 -6.270 0.239 4.215 144 HG23 ILE 18 HG23 ILE 18 -7.575 -0.870 4.634 145 HD11 ILE 18 HD11 ILE 18 -5.378 2.331 6.777 146 HD12 ILE 18 HD12 ILE 18 -5.049 1.424 5.300 147 HD13 ILE 18 HD13 ILE 18 -4.096 1.121 6.751 148 H THR 19 H THR 19 -7.611 -1.202 8.692 149 HA THR 19 HA THR 19 -10.364 -1.741 7.862 150 HB THR 19 HB THR 19 -9.273 -0.871 10.542 151 HG1 THR 19 HG1 THR 19 -9.694 -3.098 11.037 152 HG21 THR 19 HG21 THR 19 -11.514 -1.785 11.315 153 HG22 THR 19 HG22 THR 19 -11.995 -1.828 9.620 154 HG23 THR 19 HG23 THR 19 -11.602 -0.289 10.386 155 HA PRO 20 HA PRO 20 -10.337 2.719 6.667 156 HB2 PRO 20 HB2 PRO 20 -13.224 2.020 6.267 157 HB3 PRO 20 HB3 PRO 20 -12.131 2.921 5.198 158 HG2 PRO 20 HG2 PRO 20 -12.762 0.446 4.619 159 HG3 PRO 20 HG3 PRO 20 -11.084 0.995 4.440 160 HD2 PRO 20 HD2 PRO 20 -12.285 -0.688 6.618 161 HD3 PRO 20 HD3 PRO 20 -10.701 -0.839 5.820 162 H GLU 21 H GLU 21 -10.610 4.386 8.064 163 HA GLU 21 HA GLU 21 -11.780 4.050 10.620 164 HB2 GLU 21 HB2 GLU 21 -11.366 6.454 10.914 165 HB3 GLU 21 HB3 GLU 21 -9.966 5.655 10.201 166 HG2 GLU 21 HG2 GLU 21 -10.709 6.402 7.948 167 HG3 GLU 21 HG3 GLU 21 -12.070 7.236 8.684 168 H ASP 22 H ASP 22 -13.040 5.237 7.583 169 HA ASP 22 HA ASP 22 -15.370 6.528 8.585 170 HB2 ASP 22 HB2 ASP 22 -14.373 6.845 6.298 171 HB3 ASP 22 HB3 ASP 22 -15.014 5.260 5.866 172 H GLY 23 H GLY 23 -14.547 3.200 8.130 173 HA2 GLY 23 HA2 GLY 23 -15.873 1.486 9.204 174 HA3 GLY 23 HA3 GLY 23 -17.314 2.415 8.810 175 H SER 24 H SER 24 -15.130 2.420 6.222 176 HA SER 24 HA SER 24 -16.846 0.839 4.564 177 HB2 SER 24 HB2 SER 24 -14.116 2.038 4.056 178 HB3 SER 24 HB3 SER 24 -15.116 1.270 2.830 179 HG SER 24 HG SER 24 -15.334 3.738 4.019 180 H LYS 25 H LYS 25 -15.884 -0.902 3.156 181 HA LYS 25 HA LYS 25 -15.044 -3.080 4.755 182 HB2 LYS 25 HB2 LYS 25 -15.102 -2.718 1.751 183 HB3 LYS 25 HB3 LYS 25 -14.762 -4.251 2.556 184 HG2 LYS 25 HG2 LYS 25 -16.951 -4.143 3.692 185 HG3 LYS 25 HG3 LYS 25 -17.294 -2.613 2.882 186 HD2 LYS 25 HD2 LYS 25 -17.125 -3.731 0.689 187 HD3 LYS 25 HD3 LYS 25 -16.784 -5.262 1.495 188 HE2 LYS 25 HE2 LYS 25 -18.973 -5.162 2.624 189 HE3 LYS 25 HE3 LYS 25 -19.317 -3.627 1.827 190 HZ1 LYS 25 HZ1 LYS 25 -20.346 -5.327 0.567 191 HZ2 LYS 25 HZ2 LYS 25 -18.938 -6.277 0.551 192 HZ3 LYS 25 HZ3 LYS 25 -18.994 -4.820 -0.321 193 H ASP 26 H ASP 26 -13.073 -4.244 4.744 194 HA ASP 26 HA ASP 26 -10.758 -2.739 4.977 195 HB2 ASP 26 HB2 ASP 26 -11.168 -5.693 4.526 196 HB3 ASP 26 HB3 ASP 26 -9.587 -4.986 4.842 197 H LEU 27 H LEU 27 -9.008 -2.343 3.721 198 HA LEU 27 HA LEU 27 -9.290 -2.890 0.824 199 HB2 LEU 27 HB2 LEU 27 -7.857 -0.602 2.208 200 HB3 LEU 27 HB3 LEU 27 -7.958 -0.846 0.468 201 HG LEU 27 HG LEU 27 -10.384 -0.489 2.259 202 HD11 LEU 27 HD11 LEU 27 -8.933 1.513 0.501 203 HD12 LEU 27 HD12 LEU 27 -9.018 1.551 2.262 204 HD13 LEU 27 HD13 LEU 27 -10.477 1.801 1.303 205 HD21 LEU 27 HD21 LEU 27 -9.974 -0.490 -0.750 206 HD22 LEU 27 HD22 LEU 27 -11.463 0.038 0.033 207 HD23 LEU 27 HD23 LEU 27 -10.930 -1.635 0.190 208 H PHE 28 H PHE 28 -7.444 -3.508 -0.344 209 HA PHE 28 HA PHE 28 -5.504 -5.033 1.155 210 HB2 PHE 28 HB2 PHE 28 -5.857 -4.478 -1.798 211 HB3 PHE 28 HB3 PHE 28 -4.575 -5.503 -1.146 212 HD1 PHE 28 HD1 PHE 28 -8.200 -5.168 -1.695 213 HD2 PHE 28 HD2 PHE 28 -5.082 -7.658 -0.109 214 HE1 PHE 28 HE1 PHE 28 -9.780 -7.076 -1.584 215 HE2 PHE 28 HE2 PHE 28 -6.662 -9.566 0.004 216 HZ PHE 28 HZ PHE 28 -9.011 -9.275 -0.733 217 H VAL 29 H VAL 29 -3.490 -4.453 1.723 218 HA VAL 29 HA VAL 29 -2.311 -2.013 0.537 219 HB VAL 29 HB VAL 29 -2.310 -2.816 3.458 220 HG11 VAL 29 HG11 VAL 29 -0.189 -1.728 2.693 221 HG12 VAL 29 HG12 VAL 29 -1.073 -0.761 3.874 222 HG13 VAL 29 HG13 VAL 29 -1.141 -0.343 2.162 223 HG21 VAL 29 HG21 VAL 29 -3.812 -1.071 3.880 224 HG22 VAL 29 HG22 VAL 29 -4.423 -1.721 2.361 225 HG23 VAL 29 HG23 VAL 29 -3.448 -0.252 2.364 226 H HIS 30 H HIS 30 -0.232 -2.280 -0.142 227 HA HIS 30 HA HIS 30 1.128 -4.811 0.567 228 HB2 HIS 30 HB2 HIS 30 1.428 -3.061 -1.885 229 HB3 HIS 30 HB3 HIS 30 2.386 -4.504 -1.553 230 HD2 HIS 30 HD2 HIS 30 -0.934 -3.610 -3.217 231 HE1 HIS 30 HE1 HIS 30 -1.141 -7.744 -2.380 232 HE2 HIS 30 HE2 HIS 30 -2.241 -5.832 -3.638 233 H HIS 31 H HIS 31 3.253 -4.816 1.184 234 HA HIS 31 HA HIS 31 4.241 -2.599 2.642 235 HB2 HIS 31 HB2 HIS 31 4.853 -4.987 3.089 236 HB3 HIS 31 HB3 HIS 31 5.815 -4.978 1.611 237 HD2 HIS 31 HD2 HIS 31 6.048 -3.678 5.288 238 HE1 HIS 31 HE1 HIS 31 9.575 -2.501 3.294 239 HE2 HIS 31 HE2 HIS 31 8.428 -2.640 5.553 240 H SER 32 H SER 32 5.176 -3.953 -0.501 241 HA SER 32 HA SER 32 7.259 -2.149 -1.091 242 HB2 SER 32 HB2 SER 32 5.472 -3.766 -2.911 243 HB3 SER 32 HB3 SER 32 6.892 -2.879 -3.458 244 HG SER 32 HG SER 32 8.136 -4.341 -2.573 245 H GLU 33 H GLU 33 3.849 -1.667 -1.151 246 HA GLU 33 HA GLU 33 3.693 0.312 -3.189 247 HB2 GLU 33 HB2 GLU 33 1.774 -1.018 -2.211 248 HB3 GLU 33 HB3 GLU 33 1.854 0.047 -0.809 249 HG2 GLU 33 HG2 GLU 33 0.186 0.919 -2.338 250 HG3 GLU 33 HG3 GLU 33 1.571 2.005 -2.346 251 H ILE 34 H ILE 34 4.638 0.461 0.182 252 HA ILE 34 HA ILE 34 4.125 3.106 0.832 253 HB ILE 34 HB ILE 34 6.032 2.966 2.389 254 HG12 ILE 34 HG12 ILE 34 7.122 0.491 2.308 255 HG13 ILE 34 HG13 ILE 34 6.769 0.660 0.590 256 HG21 ILE 34 HG21 ILE 34 5.283 0.801 3.518 257 HG22 ILE 34 HG22 ILE 34 4.228 0.556 2.126 258 HG23 ILE 34 HG23 ILE 34 4.013 1.970 3.158 259 HD11 ILE 34 HD11 ILE 34 9.081 1.459 1.451 260 HD12 ILE 34 HD12 ILE 34 8.201 2.845 2.090 261 HD13 ILE 34 HD13 ILE 34 8.197 2.521 0.358 262 H GLN 35 H GLN 35 5.417 5.018 0.798 263 HA GLN 35 HA GLN 35 7.270 5.158 -1.509 264 HB2 GLN 35 HB2 GLN 35 5.413 7.291 -0.423 265 HB3 GLN 35 HB3 GLN 35 6.551 7.516 -1.750 266 HG2 GLN 35 HG2 GLN 35 4.292 5.489 -1.725 267 HG3 GLN 35 HG3 GLN 35 4.243 7.040 -2.557 268 HE21 GLN 35 HE21 GLN 35 4.744 3.828 -3.167 269 HE22 GLN 35 HE22 GLN 35 5.788 3.949 -4.499 270 H SER 36 H SER 36 7.886 4.623 1.384 271 HA SER 36 HA SER 36 9.017 6.877 2.631 272 HB2 SER 36 HB2 SER 36 9.791 3.959 2.829 273 HB3 SER 36 HB3 SER 36 10.378 5.225 3.902 274 HG SER 36 HG SER 36 7.673 4.471 3.474 275 H GLY 37 H GLY 37 10.354 4.588 0.282 276 HA2 GLY 37 HA2 GLY 37 12.172 4.759 -1.128 277 HA3 GLY 37 HA3 GLY 37 12.280 6.460 -0.682 278 H GLY 38 H GLY 38 14.149 6.993 0.235 279 HA2 GLY 38 HA2 GLY 38 16.123 5.175 1.058 280 HA3 GLY 38 HA3 GLY 38 16.102 6.892 1.451 281 H GLU 39 H GLU 39 13.689 6.960 2.921 282 HA GLU 39 HA GLU 39 14.614 6.081 5.490 283 HB2 GLU 39 HB2 GLU 39 11.928 7.190 4.629 284 HB3 GLU 39 HB3 GLU 39 12.434 6.949 6.301 285 HG2 GLU 39 HG2 GLU 39 14.338 8.488 5.940 286 HG3 GLU 39 HG3 GLU 39 13.809 8.744 4.279 287 H TYR 40 H TYR 40 13.681 4.502 6.855 288 HA TYR 40 HA TYR 40 12.319 2.329 5.388 289 HB2 TYR 40 HB2 TYR 40 13.861 2.282 7.992 290 HB3 TYR 40 HB3 TYR 40 13.076 0.886 7.258 291 HD1 TYR 40 HD1 TYR 40 15.899 3.224 7.042 292 HD2 TYR 40 HD2 TYR 40 13.904 -0.075 5.148 293 HE1 TYR 40 HE1 TYR 40 17.889 2.841 5.613 294 HE2 TYR 40 HE2 TYR 40 15.893 -0.459 3.719 295 HH TYR 40 HH TYR 40 18.895 0.879 4.351 296 H ALA 41 H ALA 41 10.197 2.305 5.624 297 HA ALA 41 HA ALA 41 8.974 3.317 8.094 298 HB1 ALA 41 HB1 ALA 41 7.849 4.265 6.293 299 HB2 ALA 41 HB2 ALA 41 6.840 2.863 6.644 300 HB3 ALA 41 HB3 ALA 41 7.990 2.810 5.307 301 H THR 42 H THR 42 7.965 2.035 9.526 302 HA THR 42 HA THR 42 7.788 -0.859 8.907 303 HB THR 42 HB THR 42 7.985 -1.232 11.346 304 HG1 THR 42 HG1 THR 42 8.299 0.453 12.691 305 HG21 THR 42 HG21 THR 42 10.012 -1.249 9.935 306 HG22 THR 42 HG22 THR 42 10.363 -0.631 11.549 307 HG23 THR 42 HG23 THR 42 10.203 0.485 10.194 308 H LEU 43 H LEU 43 5.937 -1.976 9.536 309 HA LEU 43 HA LEU 43 3.684 -0.450 10.638 310 HB2 LEU 43 HB2 LEU 43 3.554 -2.031 8.061 311 HB3 LEU 43 HB3 LEU 43 2.172 -1.327 8.883 312 HG LEU 43 HG LEU 43 4.542 0.288 7.888 313 HD11 LEU 43 HD11 LEU 43 3.494 -0.660 5.946 314 HD12 LEU 43 HD12 LEU 43 2.891 0.992 6.085 315 HD13 LEU 43 HD13 LEU 43 1.881 -0.361 6.594 316 HD21 LEU 43 HD21 LEU 43 2.689 2.116 8.032 317 HD22 LEU 43 HD22 LEU 43 3.405 1.558 9.539 318 HD23 LEU 43 HD23 LEU 43 1.825 0.957 9.044 319 H ALA 44 H ALA 44 2.091 -1.786 11.632 320 HA ALA 44 HA ALA 44 2.609 -4.670 11.779 321 HB1 ALA 44 HB1 ALA 44 3.872 -3.264 13.610 322 HB2 ALA 44 HB2 ALA 44 3.035 -4.747 14.067 323 HB3 ALA 44 HB3 ALA 44 2.280 -3.181 14.364 324 H ASP 45 H ASP 45 0.817 -5.077 14.050 325 HA ASP 45 HA ASP 45 -1.702 -4.782 12.650 326 HB2 ASP 45 HB2 ASP 45 -2.591 -6.193 14.472 327 HB3 ASP 45 HB3 ASP 45 -1.185 -6.918 13.704 328 H GLY 46 H GLY 46 -2.821 -2.972 12.842 329 HA2 GLY 46 HA2 GLY 46 -4.253 -1.553 14.133 330 HA3 GLY 46 HA3 GLY 46 -3.179 -1.765 15.508 331 H GLN 47 H GLN 47 -1.158 -1.296 12.953 332 HA GLN 47 HA GLN 47 -0.344 1.294 13.742 333 HB2 GLN 47 HB2 GLN 47 1.090 -0.469 12.692 334 HB3 GLN 47 HB3 GLN 47 0.271 -0.165 11.164 335 HG2 GLN 47 HG2 GLN 47 2.385 1.071 11.270 336 HG3 GLN 47 HG3 GLN 47 1.027 2.182 11.224 337 HE21 GLN 47 HE21 GLN 47 1.510 3.920 12.581 338 HE22 GLN 47 HE22 GLN 47 2.223 3.784 14.117 339 H THR 48 H THR 48 -0.947 3.258 13.094 340 HA THR 48 HA THR 48 -3.152 3.547 11.221 341 HB THR 48 HB THR 48 -1.627 5.653 12.788 342 HG1 THR 48 HG1 THR 48 -3.513 5.487 14.135 343 HG21 THR 48 HG21 THR 48 -2.995 6.380 10.750 344 HG22 THR 48 HG22 THR 48 -3.440 7.127 12.284 345 HG23 THR 48 HG23 THR 48 -4.416 5.814 11.626 346 H VAL 49 H VAL 49 -2.984 4.150 9.148 347 HA VAL 49 HA VAL 49 -0.509 5.444 8.217 348 HB VAL 49 HB VAL 49 -0.389 3.939 6.253 349 HG11 VAL 49 HG11 VAL 49 0.449 1.941 7.510 350 HG12 VAL 49 HG12 VAL 49 -0.266 2.614 8.976 351 HG13 VAL 49 HG13 VAL 49 1.042 3.470 8.159 352 HG21 VAL 49 HG21 VAL 49 -2.672 3.147 6.113 353 HG22 VAL 49 HG22 VAL 49 -2.581 2.458 7.734 354 HG23 VAL 49 HG23 VAL 49 -1.636 1.752 6.423 355 H GLU 50 H GLU 50 -0.704 6.238 5.966 356 HA GLU 50 HA GLU 50 -3.464 7.162 5.400 357 HB2 GLU 50 HB2 GLU 50 -0.857 8.593 4.793 358 HB3 GLU 50 HB3 GLU 50 -2.472 9.184 4.421 359 HG2 GLU 50 HG2 GLU 50 -3.010 9.184 6.847 360 HG3 GLU 50 HG3 GLU 50 -1.368 8.652 7.195 361 H TYR 51 H TYR 51 -4.187 6.923 3.315 362 HA TYR 51 HA TYR 51 -2.383 6.157 1.173 363 HB2 TYR 51 HB2 TYR 51 -3.482 3.997 0.736 364 HB3 TYR 51 HB3 TYR 51 -2.701 4.007 2.311 365 HD1 TYR 51 HD1 TYR 51 -5.920 4.021 0.528 366 HD2 TYR 51 HD2 TYR 51 -4.027 4.055 4.382 367 HE1 TYR 51 HE1 TYR 51 -8.088 3.470 1.595 368 HE2 TYR 51 HE2 TYR 51 -6.197 3.503 5.450 369 HH TYR 51 HH TYR 51 -9.180 3.622 3.722 370 H GLU 52 H GLU 52 -3.566 5.713 -0.861 371 HA GLU 52 HA GLU 52 -6.107 7.224 -1.018 372 HB2 GLU 52 HB2 GLU 52 -3.740 7.197 -2.901 373 HB3 GLU 52 HB3 GLU 52 -5.341 7.737 -3.409 374 HG2 GLU 52 HG2 GLU 52 -4.130 9.696 -2.708 375 HG3 GLU 52 HG3 GLU 52 -5.322 9.346 -1.459 376 H VAL 53 H VAL 53 -7.763 6.183 -1.953 377 HA VAL 53 HA VAL 53 -7.689 3.414 -2.403 378 HB VAL 53 HB VAL 53 -9.735 4.678 -1.824 379 HG11 VAL 53 HG11 VAL 53 -10.918 5.992 -3.494 380 HG12 VAL 53 HG12 VAL 53 -9.678 5.640 -4.698 381 HG13 VAL 53 HG13 VAL 53 -9.290 6.641 -3.300 382 HG21 VAL 53 HG21 VAL 53 -10.082 3.290 -4.494 383 HG22 VAL 53 HG22 VAL 53 -11.256 3.403 -3.182 384 HG23 VAL 53 HG23 VAL 53 -9.802 2.424 -2.984 385 H GLY 54 H GLY 54 -7.831 2.182 -4.279 386 HA2 GLY 54 HA2 GLY 54 -7.100 3.476 -6.828 387 HA3 GLY 54 HA3 GLY 54 -6.159 2.107 -6.236 388 H GLN 55 H GLN 55 -7.676 2.207 -8.704 389 HA GLN 55 HA GLN 55 -10.050 0.580 -8.240 390 HB2 GLN 55 HB2 GLN 55 -9.980 2.402 -9.967 391 HB3 GLN 55 HB3 GLN 55 -8.815 1.433 -10.870 392 HG2 GLN 55 HG2 GLN 55 -11.056 1.048 -11.765 393 HG3 GLN 55 HG3 GLN 55 -10.479 -0.418 -10.979 394 HE21 GLN 55 HE21 GLN 55 -12.172 -1.374 -9.850 395 HE22 GLN 55 HE22 GLN 55 -13.345 -0.532 -8.955 396 H GLY 56 H GLY 56 -10.113 -1.563 -8.321 397 HA2 GLY 56 HA2 GLY 56 -7.997 -3.042 -9.757 398 HA3 GLY 56 HA3 GLY 56 -8.392 -3.469 -8.094 399 H GLN 57 H GLN 57 -8.651 -5.019 -10.629 400 HA GLN 57 HA GLN 57 -11.357 -5.241 -11.409 401 HB2 GLN 57 HB2 GLN 57 -9.050 -7.188 -11.538 402 HB3 GLN 57 HB3 GLN 57 -10.633 -7.513 -12.248 403 HG2 GLN 57 HG2 GLN 57 -10.456 -5.582 -13.691 404 HG3 GLN 57 HG3 GLN 57 -8.986 -5.052 -12.877 405 HE21 GLN 57 HE21 GLN 57 -9.396 -5.810 -15.774 406 HE22 GLN 57 HE22 GLN 57 -8.268 -7.045 -16.071 407 H LYS 58 H LYS 58 -9.462 -6.978 -8.953 408 HA LYS 58 HA LYS 58 -11.736 -8.616 -8.175 409 HB2 LYS 58 HB2 LYS 58 -9.393 -9.477 -8.131 410 HB3 LYS 58 HB3 LYS 58 -9.033 -8.331 -6.842 411 HG2 LYS 58 HG2 LYS 58 -10.748 -9.366 -5.415 412 HG3 LYS 58 HG3 LYS 58 -11.158 -10.495 -6.708 413 HD2 LYS 58 HD2 LYS 58 -8.858 -11.397 -6.650 414 HD3 LYS 58 HD3 LYS 58 -8.453 -10.274 -5.351 415 HE2 LYS 58 HE2 LYS 58 -10.180 -11.294 -3.920 416 HE3 LYS 58 HE3 LYS 58 -10.602 -12.411 -5.217 417 HZ1 LYS 58 HZ1 LYS 58 -8.050 -12.246 -3.723 418 HZ2 LYS 58 HZ2 LYS 58 -8.215 -13.128 -5.165 419 HZ3 LYS 58 HZ3 LYS 58 -9.130 -13.552 -3.798 420 H GLY 59 H GLY 59 -10.280 -5.613 -7.225 421 HA2 GLY 59 HA2 GLY 59 -12.352 -4.595 -5.748 422 HA3 GLY 59 HA3 GLY 59 -11.381 -5.480 -4.572 423 HA PRO 60 HA PRO 60 -9.466 -1.232 -5.616 424 HB2 PRO 60 HB2 PRO 60 -10.122 0.238 -3.434 425 HB3 PRO 60 HB3 PRO 60 -11.175 0.128 -4.859 426 HG2 PRO 60 HG2 PRO 60 -11.343 -1.347 -2.270 427 HG3 PRO 60 HG3 PRO 60 -12.628 -0.572 -3.210 428 HD2 PRO 60 HD2 PRO 60 -12.172 -3.262 -3.299 429 HD3 PRO 60 HD3 PRO 60 -12.806 -2.354 -4.692 430 H CYS 61 H CYS 61 -7.540 -0.442 -4.756 431 HA CYS 61 HA CYS 61 -6.447 -1.891 -2.416 432 HB2 CYS 61 HB2 CYS 61 -4.987 -1.032 -4.928 433 HB3 CYS 61 HB3 CYS 61 -4.250 -1.810 -3.530 434 HG CYS 61 HG CYS 61 -6.146 -3.789 -4.118 435 H ALA 62 H ALA 62 -4.299 -0.625 -1.716 436 HA ALA 62 HA ALA 62 -5.033 2.241 -1.522 437 HB1 ALA 62 HB1 ALA 62 -4.083 0.257 0.481 438 HB2 ALA 62 HB2 ALA 62 -5.223 1.585 0.674 439 HB3 ALA 62 HB3 ALA 62 -3.488 1.908 0.641 440 H ASN 63 H ASN 63 -3.530 3.694 -2.184 441 HA ASN 63 HA ASN 63 -0.833 2.680 -2.867 442 HB2 ASN 63 HB2 ASN 63 -2.418 4.937 -4.117 443 HB3 ASN 63 HB3 ASN 63 -0.782 4.464 -4.572 444 HD21 ASN 63 HD21 ASN 63 -3.594 4.279 -5.968 445 HD22 ASN 63 HD22 ASN 63 -3.615 2.685 -6.552 446 H LYS 64 H LYS 64 0.942 4.165 -2.621 447 HA LYS 64 HA LYS 64 2.236 5.602 -1.389 448 HB2 LYS 64 HB2 LYS 64 0.742 7.251 -2.572 449 HB3 LYS 64 HB3 LYS 64 -0.261 7.274 -1.121 450 HG2 LYS 64 HG2 LYS 64 1.661 8.005 0.220 451 HG3 LYS 64 HG3 LYS 64 2.692 7.953 -1.208 452 HD2 LYS 64 HD2 LYS 64 1.279 9.663 -2.293 453 HD3 LYS 64 HD3 LYS 64 0.255 9.724 -0.858 454 HE2 LYS 64 HE2 LYS 64 2.188 10.439 0.498 455 HE3 LYS 64 HE3 LYS 64 3.216 10.373 -0.931 456 HZ1 LYS 64 HZ1 LYS 64 2.624 12.567 -0.906 457 HZ2 LYS 64 HZ2 LYS 64 1.079 12.270 -0.265 458 HZ3 LYS 64 HZ3 LYS 64 1.402 11.938 -1.901 459 H VAL 65 H VAL 65 1.965 3.693 0.088 460 HA VAL 65 HA VAL 65 0.377 4.125 2.480 461 HB VAL 65 HB VAL 65 2.389 1.958 1.796 462 HG11 VAL 65 HG11 VAL 65 2.088 2.188 4.230 463 HG12 VAL 65 HG12 VAL 65 1.318 0.710 3.653 464 HG13 VAL 65 HG13 VAL 65 0.337 2.127 4.027 465 HG21 VAL 65 HG21 VAL 65 0.288 2.135 0.367 466 HG22 VAL 65 HG22 VAL 65 -0.634 1.799 1.833 467 HG23 VAL 65 HG23 VAL 65 0.500 0.600 1.210 468 H VAL 66 H VAL 66 1.013 5.374 4.041 469 HA VAL 66 HA VAL 66 3.881 5.470 4.773 470 HB VAL 66 HB VAL 66 3.702 7.889 5.250 471 HG11 VAL 66 HG11 VAL 66 2.917 7.206 2.403 472 HG12 VAL 66 HG12 VAL 66 4.545 7.019 3.059 473 HG13 VAL 66 HG13 VAL 66 3.821 8.623 2.937 474 HG21 VAL 66 HG21 VAL 66 1.760 9.118 4.221 475 HG22 VAL 66 HG22 VAL 66 1.316 8.124 5.610 476 HG23 VAL 66 HG23 VAL 66 0.971 7.558 3.975 477 H ALA 67 H ALA 67 4.314 6.063 6.968 478 HA ALA 67 HA ALA 67 2.236 5.084 8.788 479 HB1 ALA 67 HB1 ALA 67 5.190 5.607 9.180 480 HB2 ALA 67 HB2 ALA 67 4.405 4.037 9.010 481 HB3 ALA 67 HB3 ALA 67 4.109 5.021 10.443 482 H VAL 68 H VAL 68 1.274 6.280 10.322 483 HA VAL 68 HA VAL 68 1.648 9.175 10.233 484 HB VAL 68 HB VAL 68 -0.351 7.540 11.834 485 HG11 VAL 68 HG11 VAL 68 -0.059 9.781 12.743 486 HG12 VAL 68 HG12 VAL 68 -1.595 9.716 11.877 487 HG13 VAL 68 HG13 VAL 68 -0.196 10.488 11.132 488 HG21 VAL 68 HG21 VAL 68 -1.956 8.145 10.058 489 HG22 VAL 68 HG22 VAL 68 -0.620 7.208 9.391 490 HG23 VAL 68 HG23 VAL 68 -0.670 8.956 9.164 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -5.561 13.527 1.697 2 H2 MET 1 HT2 MET 1 -7.114 13.063 1.187 3 H3 MET 1 HT3 MET 1 -5.854 13.216 0.056 4 HA MET 1 HA MET 1 -6.061 10.926 0.383 5 HB2 MET 1 HB2 MET 1 -3.864 12.086 2.117 6 HB3 MET 1 HB3 MET 1 -3.967 10.375 1.698 7 HG2 MET 1 HG2 MET 1 -3.819 10.896 -0.674 8 HG3 MET 1 HG3 MET 1 -3.875 12.626 -0.332 9 HE1 MET 1 HE1 MET 1 -2.041 9.350 -0.237 10 HE2 MET 1 HE2 MET 1 -1.967 9.648 1.498 11 HE3 MET 1 HE3 MET 1 -0.485 9.665 0.545 12 H SER 2 H SER 2 -7.151 9.421 1.475 13 HA SER 2 HA SER 2 -8.412 10.002 3.974 14 HB2 SER 2 HB2 SER 2 -9.396 7.810 3.771 15 HB3 SER 2 HB3 SER 2 -9.384 8.550 2.173 16 HG SER 2 HG SER 2 -8.404 6.747 1.667 17 H LYS 3 H LYS 3 -8.261 8.593 5.885 18 HA LYS 3 HA LYS 3 -5.636 7.332 6.282 19 HB2 LYS 3 HB2 LYS 3 -5.474 9.673 7.092 20 HB3 LYS 3 HB3 LYS 3 -6.820 9.370 8.187 21 HG2 LYS 3 HG2 LYS 3 -5.529 7.690 9.383 22 HG3 LYS 3 HG3 LYS 3 -4.221 7.806 8.205 23 HD2 LYS 3 HD2 LYS 3 -3.512 9.121 10.062 24 HD3 LYS 3 HD3 LYS 3 -4.050 10.277 8.846 25 HE2 LYS 3 HE2 LYS 3 -4.976 10.946 10.982 26 HE3 LYS 3 HE3 LYS 3 -6.292 10.329 9.986 27 HZ1 LYS 3 HZ1 LYS 3 -6.086 9.512 12.394 28 HZ2 LYS 3 HZ2 LYS 3 -4.821 8.540 11.810 29 HZ3 LYS 3 HZ3 LYS 3 -6.389 8.368 11.179 30 H GLY 4 H GLY 4 -5.884 5.390 7.110 31 HA2 GLY 4 HA2 GLY 4 -8.197 4.835 8.877 32 HA3 GLY 4 HA3 GLY 4 -7.741 3.731 7.582 33 H ILE 5 H ILE 5 -7.739 2.352 9.685 34 HA ILE 5 HA ILE 5 -5.005 2.432 10.830 35 HB ILE 5 HB ILE 5 -6.011 1.170 12.780 36 HG12 ILE 5 HG12 ILE 5 -8.665 2.225 11.763 37 HG13 ILE 5 HG13 ILE 5 -8.137 0.583 11.411 38 HG21 ILE 5 HG21 ILE 5 -6.864 3.201 13.833 39 HG22 ILE 5 HG22 ILE 5 -7.127 3.941 12.254 40 HG23 ILE 5 HG23 ILE 5 -5.488 3.604 12.808 41 HD11 ILE 5 HD11 ILE 5 -7.796 0.289 13.923 42 HD12 ILE 5 HD12 ILE 5 -9.473 0.449 13.399 43 HD13 ILE 5 HD13 ILE 5 -8.640 1.823 14.126 44 H VAL 6 H VAL 6 -3.745 0.770 10.522 45 HA VAL 6 HA VAL 6 -4.479 -1.314 8.752 46 HB VAL 6 HB VAL 6 -2.040 -1.079 10.542 47 HG11 VAL 6 HG11 VAL 6 -2.147 -3.351 9.832 48 HG12 VAL 6 HG12 VAL 6 -1.053 -2.573 8.688 49 HG13 VAL 6 HG13 VAL 6 -2.722 -2.904 8.226 50 HG21 VAL 6 HG21 VAL 6 -0.945 -0.092 8.629 51 HG22 VAL 6 HG22 VAL 6 -2.450 0.794 8.880 52 HG23 VAL 6 HG23 VAL 6 -2.340 -0.412 7.597 53 H LYS 7 H LYS 7 -5.522 -3.114 9.153 54 HA LYS 7 HA LYS 7 -6.363 -3.922 11.748 55 HB2 LYS 7 HB2 LYS 7 -7.623 -4.442 9.661 56 HB3 LYS 7 HB3 LYS 7 -6.322 -5.525 9.168 57 HG2 LYS 7 HG2 LYS 7 -6.702 -6.911 11.167 58 HG3 LYS 7 HG3 LYS 7 -7.982 -5.818 11.693 59 HD2 LYS 7 HD2 LYS 7 -9.274 -6.321 9.666 60 HD3 LYS 7 HD3 LYS 7 -7.985 -7.380 9.093 61 HE2 LYS 7 HE2 LYS 7 -9.742 -8.725 10.133 62 HE3 LYS 7 HE3 LYS 7 -8.284 -8.793 11.122 63 HZ1 LYS 7 HZ1 LYS 7 -9.206 -7.083 12.550 64 HZ2 LYS 7 HZ2 LYS 7 -10.259 -8.415 12.464 65 HZ3 LYS 7 HZ3 LYS 7 -10.605 -6.998 11.592 66 H TRP 8 H TRP 8 -3.929 -5.121 9.464 67 HA TRP 8 HA TRP 8 -2.206 -6.034 11.584 68 HB2 TRP 8 HB2 TRP 8 -4.021 -7.862 11.193 69 HB3 TRP 8 HB3 TRP 8 -3.170 -8.167 9.682 70 HD1 TRP 8 HD1 TRP 8 -0.740 -9.206 9.813 71 HE1 TRP 8 HE1 TRP 8 0.529 -10.414 11.703 72 HE3 TRP 8 HE3 TRP 8 -3.687 -7.954 13.791 73 HZ2 TRP 8 HZ2 TRP 8 0.318 -10.802 14.529 74 HZ3 TRP 8 HZ3 TRP 8 -3.133 -8.760 16.068 75 HH2 TRP 8 HH2 TRP 8 -1.136 -10.182 16.442 76 H PHE 9 H PHE 9 -0.181 -5.639 10.877 77 HA PHE 9 HA PHE 9 0.281 -5.558 7.943 78 HB2 PHE 9 HB2 PHE 9 0.726 -3.466 9.301 79 HB3 PHE 9 HB3 PHE 9 2.034 -4.348 10.089 80 HD1 PHE 9 HD1 PHE 9 0.861 -2.852 6.938 81 HD2 PHE 9 HD2 PHE 9 4.040 -5.012 8.856 82 HE1 PHE 9 HE1 PHE 9 2.350 -2.367 5.015 83 HE2 PHE 9 HE2 PHE 9 5.529 -4.523 6.935 84 HZ PHE 9 HZ PHE 9 4.684 -3.203 5.014 85 H ASN 10 H ASN 10 1.428 -7.187 7.069 86 HA ASN 10 HA ASN 10 3.378 -8.609 8.791 87 HB2 ASN 10 HB2 ASN 10 1.369 -9.775 6.860 88 HB3 ASN 10 HB3 ASN 10 2.766 -10.676 7.444 89 HD21 ASN 10 HD21 ASN 10 -0.003 -11.394 8.007 90 HD22 ASN 10 HD22 ASN 10 -0.223 -11.271 9.687 91 H SER 11 H SER 11 5.180 -7.542 7.974 92 HA SER 11 HA SER 11 5.705 -7.075 5.246 93 HB2 SER 11 HB2 SER 11 8.003 -6.669 5.973 94 HB3 SER 11 HB3 SER 11 6.869 -5.924 7.097 95 HG SER 11 HG SER 11 8.681 -7.286 7.955 96 H ASP 12 H ASP 12 6.285 -9.862 7.329 97 HA ASP 12 HA ASP 12 8.131 -11.263 5.728 98 HB2 ASP 12 HB2 ASP 12 5.974 -12.246 7.611 99 HB3 ASP 12 HB3 ASP 12 7.135 -13.320 6.834 100 H LYS 13 H LYS 13 4.593 -11.179 5.718 101 HA LYS 13 HA LYS 13 4.301 -12.996 3.503 102 HB2 LYS 13 HB2 LYS 13 2.394 -11.048 4.823 103 HB3 LYS 13 HB3 LYS 13 1.935 -12.144 3.520 104 HG2 LYS 13 HG2 LYS 13 2.628 -14.076 4.886 105 HG3 LYS 13 HG3 LYS 13 3.088 -12.983 6.195 106 HD2 LYS 13 HD2 LYS 13 0.763 -12.175 6.345 107 HD3 LYS 13 HD3 LYS 13 0.298 -13.266 5.036 108 HE2 LYS 13 HE2 LYS 13 0.984 -15.203 6.398 109 HE3 LYS 13 HE3 LYS 13 1.455 -14.120 7.708 110 HZ1 LYS 13 HZ1 LYS 13 -0.876 -13.286 7.686 111 HZ2 LYS 13 HZ2 LYS 13 -0.716 -14.907 8.172 112 HZ3 LYS 13 HZ3 LYS 13 -1.267 -14.536 6.608 113 H GLY 14 H GLY 14 4.777 -9.581 3.943 114 HA2 GLY 14 HA2 GLY 14 5.619 -8.102 2.306 115 HA3 GLY 14 HA3 GLY 14 5.046 -9.194 1.054 116 H PHE 15 H PHE 15 2.622 -8.736 3.380 117 HA PHE 15 HA PHE 15 1.571 -6.265 2.306 118 HB2 PHE 15 HB2 PHE 15 -0.516 -7.243 1.425 119 HB3 PHE 15 HB3 PHE 15 0.901 -7.777 0.521 120 HD1 PHE 15 HD1 PHE 15 -1.698 -8.776 2.950 121 HD2 PHE 15 HD2 PHE 15 1.652 -10.085 0.601 122 HE1 PHE 15 HE1 PHE 15 -2.321 -11.138 3.377 123 HE2 PHE 15 HE2 PHE 15 1.031 -12.446 1.031 124 HZ PHE 15 HZ PHE 15 -0.956 -12.973 2.419 125 H GLY 16 H GLY 16 -0.721 -5.893 3.152 126 HA2 GLY 16 HA2 GLY 16 -1.305 -7.191 5.696 127 HA3 GLY 16 HA3 GLY 16 -0.849 -5.491 5.783 128 H PHE 17 H PHE 17 -3.306 -6.283 6.669 129 HA PHE 17 HA PHE 17 -5.200 -5.396 4.574 130 HB2 PHE 17 HB2 PHE 17 -5.675 -6.997 7.107 131 HB3 PHE 17 HB3 PHE 17 -6.940 -6.458 6.009 132 HD1 PHE 17 HD1 PHE 17 -4.155 -8.795 6.506 133 HD2 PHE 17 HD2 PHE 17 -7.145 -7.417 3.746 134 HE1 PHE 17 HE1 PHE 17 -3.780 -10.801 5.098 135 HE2 PHE 17 HE2 PHE 17 -6.769 -9.423 2.338 136 HZ PHE 17 HZ PHE 17 -5.086 -11.115 3.013 137 H ILE 18 H ILE 18 -6.263 -3.476 4.904 138 HA ILE 18 HA ILE 18 -5.846 -2.184 7.523 139 HB ILE 18 HB ILE 18 -4.633 -1.089 5.698 140 HG12 ILE 18 HG12 ILE 18 -6.963 0.679 6.472 141 HG13 ILE 18 HG13 ILE 18 -5.740 0.186 7.646 142 HG21 ILE 18 HG21 ILE 18 -5.918 -1.572 3.760 143 HG22 ILE 18 HG22 ILE 18 -6.103 0.165 3.993 144 HG23 ILE 18 HG23 ILE 18 -7.396 -0.932 4.477 145 HD11 ILE 18 HD11 ILE 18 -4.000 1.068 6.010 146 HD12 ILE 18 HD12 ILE 18 -5.011 2.296 6.772 147 HD13 ILE 18 HD13 ILE 18 -5.333 1.787 5.115 148 H THR 19 H THR 19 -7.447 -1.218 8.586 149 HA THR 19 HA THR 19 -10.168 -1.850 7.728 150 HB THR 19 HB THR 19 -9.131 -0.907 10.406 151 HG1 THR 19 HG1 THR 19 -8.787 -2.937 10.823 152 HG21 THR 19 HG21 THR 19 -11.812 -1.990 9.492 153 HG22 THR 19 HG22 THR 19 -11.486 -0.407 10.199 154 HG23 THR 19 HG23 THR 19 -11.343 -1.862 11.186 155 HA PRO 20 HA PRO 20 -10.302 2.600 6.494 156 HB2 PRO 20 HB2 PRO 20 -13.139 1.760 6.028 157 HB3 PRO 20 HB3 PRO 20 -12.067 2.715 4.985 158 HG2 PRO 20 HG2 PRO 20 -12.535 0.220 4.378 159 HG3 PRO 20 HG3 PRO 20 -10.876 0.838 4.287 160 HD2 PRO 20 HD2 PRO 20 -12.127 -0.864 6.431 161 HD3 PRO 20 HD3 PRO 20 -10.514 -0.998 5.686 162 H GLU 21 H GLU 21 -10.698 4.281 7.843 163 HA GLU 21 HA GLU 21 -11.921 3.956 10.372 164 HB2 GLU 21 HB2 GLU 21 -11.636 6.375 10.620 165 HB3 GLU 21 HB3 GLU 21 -10.189 5.653 9.924 166 HG2 GLU 21 HG2 GLU 21 -10.838 6.379 7.691 167 HG3 GLU 21 HG3 GLU 21 -12.384 6.967 8.293 168 H ASP 22 H ASP 22 -13.259 4.702 7.271 169 HA ASP 22 HA ASP 22 -15.694 5.899 8.320 170 HB2 ASP 22 HB2 ASP 22 -14.930 5.073 5.513 171 HB3 ASP 22 HB3 ASP 22 -16.387 5.965 5.952 172 H GLY 23 H GLY 23 -14.608 2.747 8.135 173 HA2 GLY 23 HA2 GLY 23 -15.860 0.859 8.780 174 HA3 GLY 23 HA3 GLY 23 -17.335 1.711 8.346 175 H SER 24 H SER 24 -15.096 2.081 5.855 176 HA SER 24 HA SER 24 -16.582 0.467 4.045 177 HB2 SER 24 HB2 SER 24 -15.410 2.449 3.247 178 HB3 SER 24 HB3 SER 24 -13.866 1.764 3.732 179 HG SER 24 HG SER 24 -15.017 1.483 1.436 180 H LYS 25 H LYS 25 -15.555 -1.235 2.695 181 HA LYS 25 HA LYS 25 -14.730 -3.409 4.290 182 HB2 LYS 25 HB2 LYS 25 -14.678 -3.002 1.295 183 HB3 LYS 25 HB3 LYS 25 -14.326 -4.539 2.087 184 HG2 LYS 25 HG2 LYS 25 -16.546 -4.581 3.095 185 HG3 LYS 25 HG3 LYS 25 -16.904 -2.980 2.448 186 HD2 LYS 25 HD2 LYS 25 -17.956 -4.522 0.959 187 HD3 LYS 25 HD3 LYS 25 -16.500 -3.979 0.127 188 HE2 LYS 25 HE2 LYS 25 -16.655 -6.393 -0.099 189 HE3 LYS 25 HE3 LYS 25 -15.319 -6.023 0.989 190 HZ1 LYS 25 HZ1 LYS 25 -16.479 -6.740 2.810 191 HZ2 LYS 25 HZ2 LYS 25 -17.085 -7.801 1.631 192 HZ3 LYS 25 HZ3 LYS 25 -17.997 -6.451 2.113 193 H ASP 26 H ASP 26 -12.774 -4.484 4.477 194 HA ASP 26 HA ASP 26 -10.451 -3.024 4.791 195 HB2 ASP 26 HB2 ASP 26 -10.928 -5.305 5.709 196 HB3 ASP 26 HB3 ASP 26 -10.607 -5.964 4.106 197 H LEU 27 H LEU 27 -8.723 -2.505 3.559 198 HA LEU 27 HA LEU 27 -8.877 -3.128 0.671 199 HB2 LEU 27 HB2 LEU 27 -7.579 -0.777 2.077 200 HB3 LEU 27 HB3 LEU 27 -7.569 -1.056 0.338 201 HG LEU 27 HG LEU 27 -10.114 -0.780 1.967 202 HD11 LEU 27 HD11 LEU 27 -8.512 1.266 0.411 203 HD12 LEU 27 HD12 LEU 27 -8.975 1.332 2.111 204 HD13 LEU 27 HD13 LEU 27 -10.201 1.503 0.858 205 HD21 LEU 27 HD21 LEU 27 -11.073 -0.321 -0.315 206 HD22 LEU 27 HD22 LEU 27 -10.436 -1.956 -0.146 207 HD23 LEU 27 HD23 LEU 27 -9.506 -0.731 -1.009 208 H PHE 28 H PHE 28 -6.994 -3.692 -0.440 209 HA PHE 28 HA PHE 28 -5.017 -5.102 1.152 210 HB2 PHE 28 HB2 PHE 28 -5.436 -4.814 -1.830 211 HB3 PHE 28 HB3 PHE 28 -4.133 -5.765 -1.110 212 HD1 PHE 28 HD1 PHE 28 -7.774 -5.507 -1.618 213 HD2 PHE 28 HD2 PHE 28 -4.597 -7.832 0.101 214 HE1 PHE 28 HE1 PHE 28 -9.329 -7.414 -1.319 215 HE2 PHE 28 HE2 PHE 28 -6.154 -9.739 0.400 216 HZ PHE 28 HZ PHE 28 -8.521 -9.530 -0.310 217 H VAL 29 H VAL 29 -3.037 -4.412 1.646 218 HA VAL 29 HA VAL 29 -1.869 -2.148 0.151 219 HB VAL 29 HB VAL 29 -1.987 -2.427 3.168 220 HG11 VAL 29 HG11 VAL 29 -0.835 -0.194 3.151 221 HG12 VAL 29 HG12 VAL 29 -0.599 -0.376 1.412 222 HG13 VAL 29 HG13 VAL 29 0.178 -1.497 2.529 223 HG21 VAL 29 HG21 VAL 29 -3.053 -0.206 1.424 224 HG22 VAL 29 HG22 VAL 29 -3.372 -0.481 3.135 225 HG23 VAL 29 HG23 VAL 29 -4.038 -1.579 1.927 226 H HIS 30 H HIS 30 0.268 -2.385 -0.321 227 HA HIS 30 HA HIS 30 1.606 -4.832 0.659 228 HB2 HIS 30 HB2 HIS 30 2.079 -3.183 -1.835 229 HB3 HIS 30 HB3 HIS 30 3.049 -4.573 -1.356 230 HD2 HIS 30 HD2 HIS 30 -0.151 -3.867 -3.323 231 HE1 HIS 30 HE1 HIS 30 -0.279 -7.970 -2.337 232 HE2 HIS 30 HE2 HIS 30 -1.338 -6.151 -3.758 233 H HIS 31 H HIS 31 3.808 -4.759 1.254 234 HA HIS 31 HA HIS 31 4.584 -2.559 2.850 235 HB2 HIS 31 HB2 HIS 31 5.386 -4.917 3.141 236 HB3 HIS 31 HB3 HIS 31 6.378 -4.716 1.696 237 HD2 HIS 31 HD2 HIS 31 6.455 -3.749 5.470 238 HE1 HIS 31 HE1 HIS 31 9.837 -1.997 3.655 239 HE2 HIS 31 HE2 HIS 31 8.701 -2.488 5.872 240 H SER 32 H SER 32 5.708 -3.645 -0.342 241 HA SER 32 HA SER 32 7.520 -1.474 -0.746 242 HB2 SER 32 HB2 SER 32 7.722 -3.660 -1.893 243 HB3 SER 32 HB3 SER 32 6.254 -3.301 -2.797 244 HG SER 32 HG SER 32 7.366 -2.019 -4.039 245 H GLU 33 H GLU 33 4.202 -1.384 -0.629 246 HA GLU 33 HA GLU 33 3.551 0.199 -2.902 247 HB2 GLU 33 HB2 GLU 33 1.938 -1.129 -1.499 248 HB3 GLU 33 HB3 GLU 33 2.104 0.101 -0.249 249 HG2 GLU 33 HG2 GLU 33 0.138 0.591 -1.592 250 HG3 GLU 33 HG3 GLU 33 1.359 1.823 -1.884 251 H ILE 34 H ILE 34 4.857 0.964 0.268 252 HA ILE 34 HA ILE 34 4.189 3.708 0.364 253 HB ILE 34 HB ILE 34 4.993 2.451 2.326 254 HG12 ILE 34 HG12 ILE 34 6.990 4.649 1.737 255 HG13 ILE 34 HG13 ILE 34 5.289 4.998 2.044 256 HG21 ILE 34 HG21 ILE 34 7.725 2.544 1.012 257 HG22 ILE 34 HG22 ILE 34 6.706 1.107 1.069 258 HG23 ILE 34 HG23 ILE 34 7.320 1.812 2.565 259 HD11 ILE 34 HD11 ILE 34 6.663 5.157 4.112 260 HD12 ILE 34 HD12 ILE 34 7.110 3.462 3.924 261 HD13 ILE 34 HD13 ILE 34 5.430 3.901 4.232 262 H GLN 35 H GLN 35 4.901 5.393 -0.745 263 HA GLN 35 HA GLN 35 6.635 5.145 -2.959 264 HB2 GLN 35 HB2 GLN 35 5.581 7.565 -1.487 265 HB3 GLN 35 HB3 GLN 35 6.529 7.668 -2.970 266 HG2 GLN 35 HG2 GLN 35 3.931 6.125 -2.686 267 HG3 GLN 35 HG3 GLN 35 4.071 7.731 -3.396 268 HE21 GLN 35 HE21 GLN 35 3.554 4.751 -4.448 269 HE22 GLN 35 HE22 GLN 35 4.497 4.718 -5.859 270 H SER 36 H SER 36 7.161 6.384 0.326 271 HA SER 36 HA SER 36 9.730 7.466 -0.069 272 HB2 SER 36 HB2 SER 36 8.454 6.286 2.405 273 HB3 SER 36 HB3 SER 36 9.979 7.167 2.404 274 HG SER 36 HG SER 36 7.405 8.093 1.645 275 H GLY 37 H GLY 37 8.703 4.214 0.928 276 HA2 GLY 37 HA2 GLY 37 9.791 2.185 0.884 277 HA3 GLY 37 HA3 GLY 37 10.890 2.901 -0.290 278 H GLY 38 H GLY 38 10.453 4.232 2.938 279 HA2 GLY 38 HA2 GLY 38 13.255 4.159 3.484 280 HA3 GLY 38 HA3 GLY 38 11.991 4.644 4.609 281 H GLU 39 H GLU 39 14.451 2.670 4.456 282 HA GLU 39 HA GLU 39 13.463 0.086 5.086 283 HB2 GLU 39 HB2 GLU 39 15.788 0.543 4.340 284 HB3 GLU 39 HB3 GLU 39 16.101 1.366 5.866 285 HG2 GLU 39 HG2 GLU 39 16.937 -0.928 5.997 286 HG3 GLU 39 HG3 GLU 39 15.567 -0.740 7.084 287 H TYR 40 H TYR 40 14.341 2.892 7.056 288 HA TYR 40 HA TYR 40 14.145 1.701 9.602 289 HB2 TYR 40 HB2 TYR 40 13.675 4.560 8.740 290 HB3 TYR 40 HB3 TYR 40 13.809 4.033 10.416 291 HD1 TYR 40 HD1 TYR 40 15.623 4.590 7.266 292 HD2 TYR 40 HD2 TYR 40 15.938 3.205 11.321 293 HE1 TYR 40 HE1 TYR 40 18.095 4.697 7.112 294 HE2 TYR 40 HE2 TYR 40 18.410 3.311 11.165 295 HH TYR 40 HH TYR 40 20.123 4.408 9.874 296 H ALA 41 H ALA 41 11.716 3.240 7.534 297 HA ALA 41 HA ALA 41 9.616 3.384 9.389 298 HB1 ALA 41 HB1 ALA 41 9.796 4.335 6.977 299 HB2 ALA 41 HB2 ALA 41 8.216 3.811 7.564 300 HB3 ALA 41 HB3 ALA 41 9.146 2.771 6.485 301 H THR 42 H THR 42 8.381 1.918 10.311 302 HA THR 42 HA THR 42 8.155 -0.777 9.116 303 HB THR 42 HB THR 42 8.244 -1.748 11.387 304 HG1 THR 42 HG1 THR 42 8.677 -0.489 13.108 305 HG21 THR 42 HG21 THR 42 10.724 -1.113 11.827 306 HG22 THR 42 HG22 THR 42 10.578 -0.141 10.363 307 HG23 THR 42 HG23 THR 42 10.320 -1.883 10.294 308 H LEU 43 H LEU 43 6.277 -1.994 9.908 309 HA LEU 43 HA LEU 43 4.110 -0.388 11.040 310 HB2 LEU 43 HB2 LEU 43 3.856 -1.865 8.410 311 HB3 LEU 43 HB3 LEU 43 2.528 -1.124 9.294 312 HG LEU 43 HG LEU 43 4.170 1.029 9.154 313 HD11 LEU 43 HD11 LEU 43 5.439 1.137 7.149 314 HD12 LEU 43 HD12 LEU 43 4.709 -0.334 6.506 315 HD13 LEU 43 HD13 LEU 43 5.849 -0.428 7.844 316 HD21 LEU 43 HD21 LEU 43 2.423 0.124 6.840 317 HD22 LEU 43 HD22 LEU 43 2.861 1.785 7.234 318 HD23 LEU 43 HD23 LEU 43 1.821 0.867 8.323 319 H ALA 44 H ALA 44 2.409 -1.652 11.921 320 HA ALA 44 HA ALA 44 2.784 -4.555 12.067 321 HB1 ALA 44 HB1 ALA 44 2.491 -2.991 14.628 322 HB2 ALA 44 HB2 ALA 44 4.083 -3.304 13.938 323 HB3 ALA 44 HB3 ALA 44 3.046 -4.650 14.407 324 H ASP 45 H ASP 45 0.885 -4.771 14.342 325 HA ASP 45 HA ASP 45 -1.555 -4.458 12.806 326 HB2 ASP 45 HB2 ASP 45 -2.591 -5.705 14.663 327 HB3 ASP 45 HB3 ASP 45 -1.175 -6.535 14.032 328 H GLY 46 H GLY 46 -2.639 -2.617 12.845 329 HA2 GLY 46 HA2 GLY 46 -4.065 -1.071 13.980 330 HA3 GLY 46 HA3 GLY 46 -3.053 -1.223 15.407 331 H GLN 47 H GLN 47 -1.021 -0.927 12.768 332 HA GLN 47 HA GLN 47 -0.034 1.605 13.491 333 HB2 GLN 47 HB2 GLN 47 1.225 -0.172 12.260 334 HB3 GLN 47 HB3 GLN 47 0.273 0.200 10.827 335 HG2 GLN 47 HG2 GLN 47 2.412 1.380 10.718 336 HG3 GLN 47 HG3 GLN 47 1.106 2.539 10.911 337 HE21 GLN 47 HE21 GLN 47 1.796 4.171 12.298 338 HE22 GLN 47 HE22 GLN 47 2.691 3.926 13.720 339 H THR 48 H THR 48 -0.549 3.626 12.912 340 HA THR 48 HA THR 48 -2.940 4.097 11.335 341 HB THR 48 HB THR 48 -1.010 6.079 12.593 342 HG1 THR 48 HG1 THR 48 -2.120 4.528 13.998 343 HG21 THR 48 HG21 THR 48 -3.780 6.317 11.405 344 HG22 THR 48 HG22 THR 48 -2.337 7.244 10.993 345 HG23 THR 48 HG23 THR 48 -3.144 7.509 12.539 346 H VAL 49 H VAL 49 -2.971 4.486 9.211 347 HA VAL 49 HA VAL 49 -0.598 5.639 7.909 348 HB VAL 49 HB VAL 49 -0.689 3.957 6.095 349 HG11 VAL 49 HG11 VAL 49 0.460 2.229 7.284 350 HG12 VAL 49 HG12 VAL 49 -0.412 2.581 8.776 351 HG13 VAL 49 HG13 VAL 49 0.784 3.722 8.162 352 HG21 VAL 49 HG21 VAL 49 -2.735 2.643 7.913 353 HG22 VAL 49 HG22 VAL 49 -1.953 1.829 6.558 354 HG23 VAL 49 HG23 VAL 49 -2.998 3.220 6.267 355 H GLU 50 H GLU 50 -1.033 6.270 5.631 356 HA GLU 50 HA GLU 50 -3.859 7.061 5.242 357 HB2 GLU 50 HB2 GLU 50 -2.998 9.042 3.996 358 HB3 GLU 50 HB3 GLU 50 -2.568 9.072 5.706 359 HG2 GLU 50 HG2 GLU 50 -0.330 8.191 5.147 360 HG3 GLU 50 HG3 GLU 50 -0.764 8.170 3.439 361 H TYR 51 H TYR 51 -4.682 6.854 3.149 362 HA TYR 51 HA TYR 51 -2.972 5.840 1.020 363 HB2 TYR 51 HB2 TYR 51 -4.240 3.740 0.757 364 HB3 TYR 51 HB3 TYR 51 -3.418 3.807 2.313 365 HD1 TYR 51 HD1 TYR 51 -6.679 3.905 0.606 366 HD2 TYR 51 HD2 TYR 51 -4.676 4.144 4.397 367 HE1 TYR 51 HE1 TYR 51 -8.850 3.617 1.770 368 HE2 TYR 51 HE2 TYR 51 -6.847 3.851 5.562 369 HH TYR 51 HH TYR 51 -9.253 4.222 5.078 370 H GLU 52 H GLU 52 -4.192 5.351 -0.965 371 HA GLU 52 HA GLU 52 -6.604 7.055 -1.225 372 HB2 GLU 52 HB2 GLU 52 -4.588 7.946 -2.414 373 HB3 GLU 52 HB3 GLU 52 -4.530 6.456 -3.354 374 HG2 GLU 52 HG2 GLU 52 -6.780 6.907 -4.240 375 HG3 GLU 52 HG3 GLU 52 -6.876 8.380 -3.275 376 H VAL 53 H VAL 53 -8.395 6.044 -1.919 377 HA VAL 53 HA VAL 53 -8.309 3.192 -2.443 378 HB VAL 53 HB VAL 53 -10.062 4.178 -1.011 379 HG11 VAL 53 HG11 VAL 53 -11.271 5.380 -3.506 380 HG12 VAL 53 HG12 VAL 53 -10.235 6.312 -2.429 381 HG13 VAL 53 HG13 VAL 53 -11.747 5.637 -1.828 382 HG21 VAL 53 HG21 VAL 53 -11.136 2.975 -3.582 383 HG22 VAL 53 HG22 VAL 53 -11.979 3.013 -2.033 384 HG23 VAL 53 HG23 VAL 53 -10.501 2.065 -2.212 385 H GLY 54 H GLY 54 -7.902 2.400 -4.378 386 HA2 GLY 54 HA2 GLY 54 -8.835 3.880 -6.774 387 HA3 GLY 54 HA3 GLY 54 -7.328 2.971 -6.724 388 H GLN 55 H GLN 55 -10.588 2.867 -7.511 389 HA GLN 55 HA GLN 55 -11.232 0.155 -7.048 390 HB2 GLN 55 HB2 GLN 55 -12.288 2.139 -9.075 391 HB3 GLN 55 HB3 GLN 55 -12.998 0.549 -8.780 392 HG2 GLN 55 HG2 GLN 55 -13.355 1.145 -6.412 393 HG3 GLN 55 HG3 GLN 55 -12.651 2.734 -6.706 394 HE21 GLN 55 HE21 GLN 55 -14.480 4.090 -6.502 395 HE22 GLN 55 HE22 GLN 55 -15.887 3.917 -7.431 396 H GLY 56 H GLY 56 -11.181 -1.618 -8.379 397 HA2 GLY 56 HA2 GLY 56 -10.020 -1.518 -11.030 398 HA3 GLY 56 HA3 GLY 56 -8.995 -2.281 -9.818 399 H GLN 57 H GLN 57 -9.485 -4.002 -11.608 400 HA GLN 57 HA GLN 57 -11.970 -5.335 -11.685 401 HB2 GLN 57 HB2 GLN 57 -9.154 -6.270 -12.262 402 HB3 GLN 57 HB3 GLN 57 -10.584 -7.259 -12.559 403 HG2 GLN 57 HG2 GLN 57 -11.480 -5.631 -14.099 404 HG3 GLN 57 HG3 GLN 57 -10.223 -4.469 -13.678 405 HE21 GLN 57 HE21 GLN 57 -10.843 -5.702 -16.362 406 HE22 GLN 57 HE22 GLN 57 -9.399 -6.446 -16.854 407 H LYS 58 H LYS 58 -9.120 -5.760 -9.629 408 HA LYS 58 HA LYS 58 -10.305 -8.019 -8.222 409 HB2 LYS 58 HB2 LYS 58 -7.796 -7.661 -8.760 410 HB3 LYS 58 HB3 LYS 58 -7.808 -6.548 -7.394 411 HG2 LYS 58 HG2 LYS 58 -8.532 -8.306 -5.887 412 HG3 LYS 58 HG3 LYS 58 -8.755 -9.424 -7.232 413 HD2 LYS 58 HD2 LYS 58 -6.345 -9.334 -7.722 414 HD3 LYS 58 HD3 LYS 58 -6.112 -8.192 -6.399 415 HE2 LYS 58 HE2 LYS 58 -5.535 -10.447 -5.644 416 HE3 LYS 58 HE3 LYS 58 -6.988 -9.896 -4.809 417 HZ1 LYS 58 HZ1 LYS 58 -6.886 -12.242 -5.927 418 HZ2 LYS 58 HZ2 LYS 58 -7.293 -11.367 -7.326 419 HZ3 LYS 58 HZ3 LYS 58 -8.312 -11.323 -5.967 420 H GLY 59 H GLY 59 -11.469 -5.184 -8.144 421 HA2 GLY 59 HA2 GLY 59 -12.811 -4.155 -6.547 422 HA3 GLY 59 HA3 GLY 59 -12.073 -5.170 -5.310 423 HA PRO 60 HA PRO 60 -10.390 -0.643 -5.301 424 HB2 PRO 60 HB2 PRO 60 -11.393 -0.810 -2.494 425 HB3 PRO 60 HB3 PRO 60 -11.444 0.549 -3.633 426 HG2 PRO 60 HG2 PRO 60 -13.631 -0.809 -3.101 427 HG3 PRO 60 HG3 PRO 60 -13.265 -0.295 -4.760 428 HD2 PRO 60 HD2 PRO 60 -12.948 -3.025 -3.524 429 HD3 PRO 60 HD3 PRO 60 -13.564 -2.589 -5.136 430 H CYS 61 H CYS 61 -8.468 -0.049 -4.375 431 HA CYS 61 HA CYS 61 -7.210 -1.852 -2.412 432 HB2 CYS 61 HB2 CYS 61 -5.119 -1.850 -3.699 433 HB3 CYS 61 HB3 CYS 61 -6.425 -2.550 -4.652 434 HG CYS 61 HG CYS 61 -6.620 -0.175 -5.877 435 H ALA 62 H ALA 62 -5.065 -0.784 -1.627 436 HA ALA 62 HA ALA 62 -5.490 2.148 -1.445 437 HB1 ALA 62 HB1 ALA 62 -5.958 1.587 0.724 438 HB2 ALA 62 HB2 ALA 62 -4.199 1.642 0.856 439 HB3 ALA 62 HB3 ALA 62 -5.024 0.095 0.654 440 H ASN 63 H ASN 63 -3.852 3.311 -2.218 441 HA ASN 63 HA ASN 63 -1.161 2.067 -2.296 442 HB2 ASN 63 HB2 ASN 63 -0.751 3.344 -4.370 443 HB3 ASN 63 HB3 ASN 63 -2.081 2.203 -4.551 444 HD21 ASN 63 HD21 ASN 63 -3.633 3.195 -5.851 445 HD22 ASN 63 HD22 ASN 63 -4.167 4.796 -5.667 446 H LYS 64 H LYS 64 0.540 3.886 -2.707 447 HA LYS 64 HA LYS 64 1.713 5.621 -1.768 448 HB2 LYS 64 HB2 LYS 64 -1.046 6.882 -1.774 449 HB3 LYS 64 HB3 LYS 64 0.457 7.757 -1.475 450 HG2 LYS 64 HG2 LYS 64 1.290 7.085 -3.702 451 HG3 LYS 64 HG3 LYS 64 -0.216 6.218 -4.002 452 HD2 LYS 64 HD2 LYS 64 -1.481 8.325 -3.764 453 HD3 LYS 64 HD3 LYS 64 0.026 9.195 -3.473 454 HE2 LYS 64 HE2 LYS 64 0.848 8.530 -5.701 455 HE3 LYS 64 HE3 LYS 64 -0.655 7.653 -5.995 456 HZ1 LYS 64 HZ1 LYS 64 -1.757 9.892 -5.464 457 HZ2 LYS 64 HZ2 LYS 64 -1.028 9.691 -6.984 458 HZ3 LYS 64 HZ3 LYS 64 -0.227 10.561 -5.765 459 H VAL 65 H VAL 65 1.077 3.571 -0.043 460 HA VAL 65 HA VAL 65 -0.155 4.444 2.365 461 HB VAL 65 HB VAL 65 -0.001 2.072 1.723 462 HG11 VAL 65 HG11 VAL 65 2.378 2.333 0.800 463 HG12 VAL 65 HG12 VAL 65 2.038 0.859 1.710 464 HG13 VAL 65 HG13 VAL 65 2.923 2.180 2.471 465 HG21 VAL 65 HG21 VAL 65 -0.240 2.767 4.122 466 HG22 VAL 65 HG22 VAL 65 1.510 2.627 4.295 467 HG23 VAL 65 HG23 VAL 65 0.543 1.198 3.923 468 H VAL 66 H VAL 66 0.583 5.899 3.708 469 HA VAL 66 HA VAL 66 3.506 6.039 4.224 470 HB VAL 66 HB VAL 66 1.623 8.409 4.020 471 HG11 VAL 66 HG11 VAL 66 4.613 8.313 4.524 472 HG12 VAL 66 HG12 VAL 66 3.394 8.698 5.739 473 HG13 VAL 66 HG13 VAL 66 3.635 9.773 4.361 474 HG21 VAL 66 HG21 VAL 66 3.888 7.446 2.251 475 HG22 VAL 66 HG22 VAL 66 3.109 9.020 2.095 476 HG23 VAL 66 HG23 VAL 66 2.181 7.546 1.816 477 H ALA 67 H ALA 67 4.038 5.777 6.281 478 HA ALA 67 HA ALA 67 2.062 5.348 8.297 479 HB1 ALA 67 HB1 ALA 67 4.081 5.173 9.805 480 HB2 ALA 67 HB2 ALA 67 5.074 5.540 8.395 481 HB3 ALA 67 HB3 ALA 67 4.087 4.078 8.422 482 H VAL 68 H VAL 68 1.372 6.622 9.924 483 HA VAL 68 HA VAL 68 0.922 8.523 11.130 484 HB VAL 68 HB VAL 68 3.798 9.274 10.504 485 HG11 VAL 68 HG11 VAL 68 3.552 10.479 12.728 486 HG12 VAL 68 HG12 VAL 68 1.819 10.172 12.616 487 HG13 VAL 68 HG13 VAL 68 2.619 11.169 11.401 488 HG21 VAL 68 HG21 VAL 68 2.590 7.606 12.733 489 HG22 VAL 68 HG22 VAL 68 4.221 8.271 12.792 490 HG23 VAL 68 HG23 VAL 68 3.795 7.092 11.552 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -7.617 13.489 0.588 2 H2 MET 1 HT2 MET 1 -6.119 14.114 1.088 3 H3 MET 1 HT3 MET 1 -7.312 13.736 2.239 4 HA MET 1 HA MET 1 -6.413 11.595 0.468 5 HB2 MET 1 HB2 MET 1 -4.489 11.119 1.962 6 HB3 MET 1 HB3 MET 1 -4.296 12.654 1.120 7 HG2 MET 1 HG2 MET 1 -5.139 13.842 3.140 8 HG3 MET 1 HG3 MET 1 -5.253 12.296 3.980 9 HE1 MET 1 HE1 MET 1 -2.402 13.742 1.467 10 HE2 MET 1 HE2 MET 1 -1.573 14.662 2.718 11 HE3 MET 1 HE3 MET 1 -3.276 14.970 2.391 12 H SER 2 H SER 2 -6.026 9.659 2.146 13 HA SER 2 HA SER 2 -8.254 9.702 4.095 14 HB2 SER 2 HB2 SER 2 -7.450 7.445 2.246 15 HB3 SER 2 HB3 SER 2 -8.671 7.334 3.510 16 HG SER 2 HG SER 2 -9.910 7.970 1.911 17 H LYS 3 H LYS 3 -7.979 8.487 5.976 18 HA LYS 3 HA LYS 3 -5.363 7.227 6.435 19 HB2 LYS 3 HB2 LYS 3 -5.176 9.584 7.199 20 HB3 LYS 3 HB3 LYS 3 -6.559 9.331 8.263 21 HG2 LYS 3 HG2 LYS 3 -5.319 7.576 9.475 22 HG3 LYS 3 HG3 LYS 3 -3.937 7.805 8.400 23 HD2 LYS 3 HD2 LYS 3 -3.732 10.144 9.151 24 HD3 LYS 3 HD3 LYS 3 -5.115 9.924 10.222 25 HE2 LYS 3 HE2 LYS 3 -3.900 8.165 11.446 26 HE3 LYS 3 HE3 LYS 3 -2.516 8.370 10.373 27 HZ1 LYS 3 HZ1 LYS 3 -3.649 10.399 12.220 28 HZ2 LYS 3 HZ2 LYS 3 -2.416 10.712 11.093 29 HZ3 LYS 3 HZ3 LYS 3 -2.151 9.617 12.365 30 H GLY 4 H GLY 4 -5.695 5.275 7.266 31 HA2 GLY 4 HA2 GLY 4 -8.001 4.840 9.073 32 HA3 GLY 4 HA3 GLY 4 -7.646 3.716 7.763 33 H ILE 5 H ILE 5 -7.706 2.420 9.981 34 HA ILE 5 HA ILE 5 -4.934 2.305 11.031 35 HB ILE 5 HB ILE 5 -5.982 1.077 12.988 36 HG12 ILE 5 HG12 ILE 5 -8.579 2.315 12.031 37 HG13 ILE 5 HG13 ILE 5 -8.169 0.644 11.662 38 HG21 ILE 5 HG21 ILE 5 -5.301 3.336 13.317 39 HG22 ILE 5 HG22 ILE 5 -6.947 3.246 13.945 40 HG23 ILE 5 HG23 ILE 5 -6.647 3.960 12.361 41 HD11 ILE 5 HD11 ILE 5 -7.976 0.128 14.049 42 HD12 ILE 5 HD12 ILE 5 -9.555 0.845 13.724 43 HD13 ILE 5 HD13 ILE 5 -8.277 1.818 14.458 44 H VAL 6 H VAL 6 -3.759 0.629 10.511 45 HA VAL 6 HA VAL 6 -4.705 -1.397 8.796 46 HB VAL 6 HB VAL 6 -2.130 -1.280 10.390 47 HG11 VAL 6 HG11 VAL 6 -1.358 -2.771 8.414 48 HG12 VAL 6 HG12 VAL 6 -3.074 -3.070 8.143 49 HG13 VAL 6 HG13 VAL 6 -2.330 -3.531 9.672 50 HG21 VAL 6 HG21 VAL 6 -2.695 0.610 8.727 51 HG22 VAL 6 HG22 VAL 6 -2.551 -0.613 7.464 52 HG23 VAL 6 HG23 VAL 6 -1.162 -0.227 8.483 53 H LYS 7 H LYS 7 -5.724 -3.223 9.196 54 HA LYS 7 HA LYS 7 -6.415 -4.086 11.825 55 HB2 LYS 7 HB2 LYS 7 -7.806 -4.568 9.810 56 HB3 LYS 7 HB3 LYS 7 -6.542 -5.649 9.224 57 HG2 LYS 7 HG2 LYS 7 -6.793 -7.048 11.241 58 HG3 LYS 7 HG3 LYS 7 -8.043 -5.962 11.845 59 HD2 LYS 7 HD2 LYS 7 -9.434 -6.453 9.868 60 HD3 LYS 7 HD3 LYS 7 -8.186 -7.541 9.260 61 HE2 LYS 7 HE2 LYS 7 -8.421 -8.949 11.270 62 HE3 LYS 7 HE3 LYS 7 -9.663 -7.861 11.890 63 HZ1 LYS 7 HZ1 LYS 7 -10.791 -9.619 10.846 64 HZ2 LYS 7 HZ2 LYS 7 -9.783 -9.575 9.479 65 HZ3 LYS 7 HZ3 LYS 7 -10.889 -8.318 9.761 66 H TRP 8 H TRP 8 -4.142 -5.234 9.350 67 HA TRP 8 HA TRP 8 -2.211 -6.012 11.285 68 HB2 TRP 8 HB2 TRP 8 -2.173 -8.412 10.928 69 HB3 TRP 8 HB3 TRP 8 -3.742 -7.924 11.554 70 HD1 TRP 8 HD1 TRP 8 -5.828 -8.048 9.893 71 HE1 TRP 8 HE1 TRP 8 -6.206 -9.398 7.729 72 HE3 TRP 8 HE3 TRP 8 -1.007 -9.323 8.794 73 HZ2 TRP 8 HZ2 TRP 8 -4.666 -10.836 5.793 74 HZ3 TRP 8 HZ3 TRP 8 -0.493 -10.684 6.788 75 HH2 TRP 8 HH2 TRP 8 -2.314 -11.441 5.288 76 H PHE 9 H PHE 9 -0.228 -6.046 10.434 77 HA PHE 9 HA PHE 9 -0.008 -6.006 7.468 78 HB2 PHE 9 HB2 PHE 9 0.425 -3.798 8.651 79 HB3 PHE 9 HB3 PHE 9 1.834 -4.566 9.384 80 HD1 PHE 9 HD1 PHE 9 0.427 -3.129 6.345 81 HD2 PHE 9 HD2 PHE 9 3.686 -5.432 7.936 82 HE1 PHE 9 HE1 PHE 9 1.736 -2.705 4.281 83 HE2 PHE 9 HE2 PHE 9 4.995 -5.004 5.873 84 HZ PHE 9 HZ PHE 9 4.017 -3.638 4.049 85 H ASN 10 H ASN 10 1.316 -7.494 6.584 86 HA ASN 10 HA ASN 10 3.410 -8.703 8.282 87 HB2 ASN 10 HB2 ASN 10 1.372 -10.169 6.609 88 HB3 ASN 10 HB3 ASN 10 2.882 -10.908 7.131 89 HD21 ASN 10 HD21 ASN 10 0.332 -11.901 8.003 90 HD22 ASN 10 HD22 ASN 10 0.196 -11.629 9.673 91 H SER 11 H SER 11 5.152 -7.787 7.327 92 HA SER 11 HA SER 11 5.455 -7.294 4.567 93 HB2 SER 11 HB2 SER 11 7.808 -6.902 5.114 94 HB3 SER 11 HB3 SER 11 6.766 -6.156 6.323 95 HG SER 11 HG SER 11 8.235 -8.572 6.485 96 H ASP 12 H ASP 12 6.225 -10.090 6.585 97 HA ASP 12 HA ASP 12 7.913 -11.483 4.809 98 HB2 ASP 12 HB2 ASP 12 5.931 -12.480 6.874 99 HB3 ASP 12 HB3 ASP 12 7.017 -13.548 5.989 100 H LYS 13 H LYS 13 4.394 -11.391 5.137 101 HA LYS 13 HA LYS 13 3.872 -13.171 2.936 102 HB2 LYS 13 HB2 LYS 13 2.128 -11.212 4.456 103 HB3 LYS 13 HB3 LYS 13 1.530 -12.275 3.184 104 HG2 LYS 13 HG2 LYS 13 2.305 -14.243 4.451 105 HG3 LYS 13 HG3 LYS 13 2.907 -13.182 5.727 106 HD2 LYS 13 HD2 LYS 13 0.622 -12.332 6.106 107 HD3 LYS 13 HD3 LYS 13 0.018 -13.390 4.828 108 HE2 LYS 13 HE2 LYS 13 0.785 -15.364 6.087 109 HE3 LYS 13 HE3 LYS 13 1.402 -14.315 7.365 110 HZ1 LYS 13 HZ1 LYS 13 -1.408 -14.088 6.528 111 HZ2 LYS 13 HZ2 LYS 13 -0.700 -13.729 8.029 112 HZ3 LYS 13 HZ3 LYS 13 -0.949 -15.345 7.570 113 H GLY 14 H GLY 14 4.273 -9.734 3.436 114 HA2 GLY 14 HA2 GLY 14 4.994 -8.180 1.805 115 HA3 GLY 14 HA3 GLY 14 4.439 -9.277 0.548 116 H PHE 15 H PHE 15 2.074 -8.980 2.972 117 HA PHE 15 HA PHE 15 0.864 -6.555 1.952 118 HB2 PHE 15 HB2 PHE 15 -1.194 -7.631 1.128 119 HB3 PHE 15 HB3 PHE 15 0.220 -8.098 0.183 120 HD1 PHE 15 HD1 PHE 15 -2.256 -9.220 2.685 121 HD2 PHE 15 HD2 PHE 15 1.082 -10.367 0.235 122 HE1 PHE 15 HE1 PHE 15 -2.751 -11.610 3.130 123 HE2 PHE 15 HE2 PHE 15 0.588 -12.756 0.683 124 HZ PHE 15 HZ PHE 15 -1.328 -13.376 2.129 125 H GLY 16 H GLY 16 -1.400 -6.299 2.851 126 HA2 GLY 16 HA2 GLY 16 -2.041 -7.661 5.304 127 HA3 GLY 16 HA3 GLY 16 -1.404 -6.037 5.560 128 H PHE 17 H PHE 17 -3.859 -6.355 6.445 129 HA PHE 17 HA PHE 17 -5.610 -5.131 4.390 130 HB2 PHE 17 HB2 PHE 17 -6.299 -7.028 6.641 131 HB3 PHE 17 HB3 PHE 17 -7.510 -6.072 5.787 132 HD1 PHE 17 HD1 PHE 17 -4.817 -8.590 5.307 133 HD2 PHE 17 HD2 PHE 17 -8.312 -6.741 3.646 134 HE1 PHE 17 HE1 PHE 17 -4.852 -10.289 3.500 135 HE2 PHE 17 HE2 PHE 17 -8.347 -8.431 1.832 136 HZ PHE 17 HZ PHE 17 -6.617 -10.206 1.760 137 H ILE 18 H ILE 18 -6.686 -3.282 4.946 138 HA ILE 18 HA ILE 18 -6.088 -2.211 7.625 139 HB ILE 18 HB ILE 18 -4.837 -1.055 5.865 140 HG12 ILE 18 HG12 ILE 18 -7.023 0.823 6.781 141 HG13 ILE 18 HG13 ILE 18 -5.886 0.124 7.935 142 HG21 ILE 18 HG21 ILE 18 -7.575 -0.340 4.765 143 HG22 ILE 18 HG22 ILE 18 -6.421 -1.439 4.009 144 HG23 ILE 18 HG23 ILE 18 -6.032 0.273 4.168 145 HD11 ILE 18 HD11 ILE 18 -4.038 1.169 6.929 146 HD12 ILE 18 HD12 ILE 18 -5.280 2.416 6.905 147 HD13 ILE 18 HD13 ILE 18 -4.913 1.510 5.438 148 H THR 19 H THR 19 -7.588 -1.121 8.754 149 HA THR 19 HA THR 19 -10.355 -1.616 7.959 150 HB THR 19 HB THR 19 -9.207 -0.789 10.627 151 HG1 THR 19 HG1 THR 19 -9.329 -2.934 11.122 152 HG21 THR 19 HG21 THR 19 -11.402 -1.549 11.495 153 HG22 THR 19 HG22 THR 19 -11.942 -1.843 9.842 154 HG23 THR 19 HG23 THR 19 -11.582 -0.199 10.374 155 HA PRO 20 HA PRO 20 -10.364 2.858 6.800 156 HB2 PRO 20 HB2 PRO 20 -13.256 2.121 6.499 157 HB3 PRO 20 HB3 PRO 20 -12.226 3.068 5.409 158 HG2 PRO 20 HG2 PRO 20 -12.820 0.595 4.798 159 HG3 PRO 20 HG3 PRO 20 -11.160 1.181 4.577 160 HD2 PRO 20 HD2 PRO 20 -12.253 -0.583 6.749 161 HD3 PRO 20 HD3 PRO 20 -10.689 -0.665 5.908 162 H GLU 21 H GLU 21 -10.607 4.516 8.232 163 HA GLU 21 HA GLU 21 -11.628 4.154 10.830 164 HB2 GLU 21 HB2 GLU 21 -11.355 6.588 11.083 165 HB3 GLU 21 HB3 GLU 21 -9.954 5.869 10.298 166 HG2 GLU 21 HG2 GLU 21 -10.835 6.553 8.090 167 HG3 GLU 21 HG3 GLU 21 -12.239 7.276 8.876 168 H ASP 22 H ASP 22 -13.139 5.298 7.884 169 HA ASP 22 HA ASP 22 -15.489 6.406 9.056 170 HB2 ASP 22 HB2 ASP 22 -14.646 6.863 6.731 171 HB3 ASP 22 HB3 ASP 22 -15.200 5.251 6.279 172 H GLY 23 H GLY 23 -14.474 3.157 8.442 173 HA2 GLY 23 HA2 GLY 23 -15.610 1.311 9.501 174 HA3 GLY 23 HA3 GLY 23 -17.131 2.161 9.263 175 H SER 24 H SER 24 -15.163 2.440 6.526 176 HA SER 24 HA SER 24 -16.898 0.881 4.892 177 HB2 SER 24 HB2 SER 24 -14.218 2.156 4.307 178 HB3 SER 24 HB3 SER 24 -15.270 1.434 3.096 179 HG SER 24 HG SER 24 -15.712 3.697 4.730 180 H LYS 25 H LYS 25 -16.017 -0.762 3.363 181 HA LYS 25 HA LYS 25 -15.095 -3.035 4.742 182 HB2 LYS 25 HB2 LYS 25 -16.453 -3.011 2.613 183 HB3 LYS 25 HB3 LYS 25 -14.971 -2.594 1.753 184 HG2 LYS 25 HG2 LYS 25 -13.896 -4.652 2.644 185 HG3 LYS 25 HG3 LYS 25 -15.409 -5.080 3.441 186 HD2 LYS 25 HD2 LYS 25 -15.224 -4.603 0.457 187 HD3 LYS 25 HD3 LYS 25 -14.992 -6.194 1.180 188 HE2 LYS 25 HE2 LYS 25 -17.245 -6.006 2.233 189 HE3 LYS 25 HE3 LYS 25 -17.477 -4.464 1.409 190 HZ1 LYS 25 HZ1 LYS 25 -16.939 -7.054 0.058 191 HZ2 LYS 25 HZ2 LYS 25 -17.250 -5.568 -0.704 192 HZ3 LYS 25 HZ3 LYS 25 -18.468 -6.333 0.201 193 H ASP 26 H ASP 26 -13.116 -4.036 4.877 194 HA ASP 26 HA ASP 26 -10.800 -2.523 4.997 195 HB2 ASP 26 HB2 ASP 26 -11.082 -5.501 4.561 196 HB3 ASP 26 HB3 ASP 26 -9.605 -4.688 5.074 197 H LEU 27 H LEU 27 -9.056 -2.181 3.689 198 HA LEU 27 HA LEU 27 -9.409 -2.848 0.825 199 HB2 LEU 27 HB2 LEU 27 -8.235 -0.432 2.202 200 HB3 LEU 27 HB3 LEU 27 -7.803 -0.836 0.543 201 HG LEU 27 HG LEU 27 -10.450 -1.002 0.234 202 HD11 LEU 27 HD11 LEU 27 -10.320 1.139 2.364 203 HD12 LEU 27 HD12 LEU 27 -10.700 -0.531 2.771 204 HD13 LEU 27 HD13 LEU 27 -11.742 0.360 1.667 205 HD21 LEU 27 HD21 LEU 27 -10.448 1.237 -0.621 206 HD22 LEU 27 HD22 LEU 27 -8.806 0.633 -0.830 207 HD23 LEU 27 HD23 LEU 27 -9.178 1.735 0.496 208 H PHE 28 H PHE 28 -7.577 -3.435 -0.381 209 HA PHE 28 HA PHE 28 -5.603 -4.960 1.078 210 HB2 PHE 28 HB2 PHE 28 -6.010 -4.393 -1.869 211 HB3 PHE 28 HB3 PHE 28 -4.726 -5.430 -1.241 212 HD1 PHE 28 HD1 PHE 28 -8.380 -5.035 -1.633 213 HD2 PHE 28 HD2 PHE 28 -5.210 -7.619 -0.322 214 HE1 PHE 28 HE1 PHE 28 -9.972 -6.934 -1.522 215 HE2 PHE 28 HE2 PHE 28 -6.801 -9.517 -0.212 216 HZ PHE 28 HZ PHE 28 -9.181 -9.174 -0.812 217 H VAL 29 H VAL 29 -3.615 -4.324 1.662 218 HA VAL 29 HA VAL 29 -2.437 -1.934 0.380 219 HB VAL 29 HB VAL 29 -2.352 -2.614 3.335 220 HG11 VAL 29 HG11 VAL 29 -1.238 -0.430 3.572 221 HG12 VAL 29 HG12 VAL 29 -1.296 -0.208 1.823 222 HG13 VAL 29 HG13 VAL 29 -0.309 -1.497 2.517 223 HG21 VAL 29 HG21 VAL 29 -4.522 -1.770 3.007 224 HG22 VAL 29 HG22 VAL 29 -4.004 -0.655 1.750 225 HG23 VAL 29 HG23 VAL 29 -3.606 -0.326 3.436 226 H HIS 30 H HIS 30 -0.383 -2.271 -0.330 227 HA HIS 30 HA HIS 30 0.992 -4.743 0.552 228 HB2 HIS 30 HB2 HIS 30 1.181 -3.261 -2.075 229 HB3 HIS 30 HB3 HIS 30 2.165 -4.656 -1.640 230 HD2 HIS 30 HD2 HIS 30 -1.237 -3.937 -3.229 231 HE1 HIS 30 HE1 HIS 30 -1.359 -7.975 -2.007 232 HE2 HIS 30 HE2 HIS 30 -2.538 -6.196 -3.382 233 H HIS 31 H HIS 31 3.216 -4.700 0.887 234 HA HIS 31 HA HIS 31 4.232 -2.357 2.161 235 HB2 HIS 31 HB2 HIS 31 4.866 -4.738 2.721 236 HB3 HIS 31 HB3 HIS 31 5.831 -4.757 1.246 237 HD2 HIS 31 HD2 HIS 31 6.048 -3.338 4.878 238 HE1 HIS 31 HE1 HIS 31 9.459 -1.991 2.786 239 HE2 HIS 31 HE2 HIS 31 8.364 -2.153 5.071 240 H SER 32 H SER 32 4.891 -3.897 -0.951 241 HA SER 32 HA SER 32 7.027 -2.277 -1.778 242 HB2 SER 32 HB2 SER 32 6.596 -3.156 -4.006 243 HB3 SER 32 HB3 SER 32 6.449 -4.433 -2.803 244 HG SER 32 HG SER 32 4.334 -4.497 -3.112 245 H GLU 33 H GLU 33 3.660 -1.477 -1.652 246 HA GLU 33 HA GLU 33 3.599 0.371 -3.818 247 HB2 GLU 33 HB2 GLU 33 1.848 0.024 -1.389 248 HB3 GLU 33 HB3 GLU 33 1.545 1.262 -2.608 249 HG2 GLU 33 HG2 GLU 33 1.801 -1.697 -3.205 250 HG3 GLU 33 HG3 GLU 33 0.264 -0.854 -3.020 251 H ILE 34 H ILE 34 4.759 0.685 -0.527 252 HA ILE 34 HA ILE 34 4.609 3.550 -0.443 253 HB ILE 34 HB ILE 34 4.705 2.174 1.610 254 HG12 ILE 34 HG12 ILE 34 7.174 3.922 1.492 255 HG13 ILE 34 HG13 ILE 34 5.554 4.609 1.430 256 HG21 ILE 34 HG21 ILE 34 7.638 1.751 1.524 257 HG22 ILE 34 HG22 ILE 34 6.750 0.773 0.362 258 HG23 ILE 34 HG23 ILE 34 6.353 0.676 2.075 259 HD11 ILE 34 HD11 ILE 34 5.019 3.441 3.572 260 HD12 ILE 34 HD12 ILE 34 6.338 4.597 3.743 261 HD13 ILE 34 HD13 ILE 34 6.689 2.872 3.644 262 H GLN 35 H GLN 35 5.766 4.898 -1.627 263 HA GLN 35 HA GLN 35 7.955 4.134 -3.252 264 HB2 GLN 35 HB2 GLN 35 6.978 6.849 -2.343 265 HB3 GLN 35 HB3 GLN 35 8.276 6.627 -3.513 266 HG2 GLN 35 HG2 GLN 35 5.474 5.505 -3.819 267 HG3 GLN 35 HG3 GLN 35 6.049 6.979 -4.593 268 HE21 GLN 35 HE21 GLN 35 5.346 3.984 -5.495 269 HE22 GLN 35 HE22 GLN 35 6.600 3.656 -6.590 270 H SER 36 H SER 36 7.760 5.737 -0.103 271 HA SER 36 HA SER 36 10.226 4.740 0.832 272 HB2 SER 36 HB2 SER 36 11.230 6.314 -0.767 273 HB3 SER 36 HB3 SER 36 10.300 7.637 -0.067 274 HG SER 36 HG SER 36 12.393 6.115 1.065 275 H GLY 37 H GLY 37 8.630 7.927 1.117 276 HA2 GLY 37 HA2 GLY 37 7.221 8.695 2.827 277 HA3 GLY 37 HA3 GLY 37 7.554 7.230 3.737 278 H GLY 38 H GLY 38 10.558 8.010 2.960 279 HA2 GLY 38 HA2 GLY 38 12.265 9.311 3.847 280 HA3 GLY 38 HA3 GLY 38 11.058 10.295 4.662 281 H GLU 39 H GLU 39 10.316 7.144 5.423 282 HA GLU 39 HA GLU 39 12.155 7.000 7.717 283 HB2 GLU 39 HB2 GLU 39 9.139 6.774 7.886 284 HB3 GLU 39 HB3 GLU 39 10.261 6.448 9.208 285 HG2 GLU 39 HG2 GLU 39 11.088 8.777 9.069 286 HG3 GLU 39 HG3 GLU 39 9.942 9.101 7.769 287 H TYR 40 H TYR 40 12.416 4.917 8.602 288 HA TYR 40 HA TYR 40 11.733 2.741 6.730 289 HB2 TYR 40 HB2 TYR 40 13.845 2.910 8.888 290 HB3 TYR 40 HB3 TYR 40 13.543 1.489 7.889 291 HD1 TYR 40 HD1 TYR 40 14.890 4.904 7.962 292 HD2 TYR 40 HD2 TYR 40 14.030 1.510 5.476 293 HE1 TYR 40 HE1 TYR 40 16.323 5.853 6.173 294 HE2 TYR 40 HE2 TYR 40 15.463 2.457 3.686 295 HH TYR 40 HH TYR 40 17.463 4.099 3.612 296 H ALA 41 H ALA 41 10.183 3.983 9.208 297 HA ALA 41 HA ALA 41 9.971 2.062 11.216 298 HB1 ALA 41 HB1 ALA 41 7.825 3.071 11.743 299 HB2 ALA 41 HB2 ALA 41 7.747 3.812 10.145 300 HB3 ALA 41 HB3 ALA 41 8.971 4.339 11.302 301 H THR 42 H THR 42 9.040 0.152 11.389 302 HA THR 42 HA THR 42 7.981 -1.177 9.051 303 HB THR 42 HB THR 42 7.827 -3.144 10.523 304 HG1 THR 42 HG1 THR 42 7.241 -2.175 12.433 305 HG21 THR 42 HG21 THR 42 10.267 -3.209 11.214 306 HG22 THR 42 HG22 THR 42 10.378 -1.528 10.697 307 HG23 THR 42 HG23 THR 42 9.980 -2.786 9.527 308 H LEU 43 H LEU 43 5.981 -2.593 9.411 309 HA LEU 43 HA LEU 43 3.856 -1.044 10.765 310 HB2 LEU 43 HB2 LEU 43 3.636 -2.457 8.096 311 HB3 LEU 43 HB3 LEU 43 2.308 -1.691 8.959 312 HG LEU 43 HG LEU 43 3.894 0.436 8.911 313 HD11 LEU 43 HD11 LEU 43 5.017 -1.362 6.757 314 HD12 LEU 43 HD12 LEU 43 5.888 -0.417 7.962 315 HD13 LEU 43 HD13 LEU 43 5.107 0.393 6.610 316 HD21 LEU 43 HD21 LEU 43 2.551 -0.481 6.348 317 HD22 LEU 43 HD22 LEU 43 2.785 1.179 6.895 318 HD23 LEU 43 HD23 LEU 43 1.667 0.119 7.751 319 H ALA 44 H ALA 44 2.244 -2.237 11.761 320 HA ALA 44 HA ALA 44 2.397 -5.161 11.711 321 HB1 ALA 44 HB1 ALA 44 2.842 -5.419 14.011 322 HB2 ALA 44 HB2 ALA 44 2.439 -3.740 14.370 323 HB3 ALA 44 HB3 ALA 44 3.939 -4.125 13.527 324 H ASP 45 H ASP 45 0.667 -5.187 14.236 325 HA ASP 45 HA ASP 45 -1.858 -4.762 12.870 326 HB2 ASP 45 HB2 ASP 45 -1.361 -5.770 15.678 327 HB3 ASP 45 HB3 ASP 45 -2.844 -5.931 14.741 328 H GLY 46 H GLY 46 -2.746 -2.799 12.882 329 HA2 GLY 46 HA2 GLY 46 -4.006 -1.148 14.074 330 HA3 GLY 46 HA3 GLY 46 -2.917 -1.342 15.437 331 H GLN 47 H GLN 47 -1.056 -1.227 12.648 332 HA GLN 47 HA GLN 47 0.103 1.279 13.266 333 HB2 GLN 47 HB2 GLN 47 1.244 -0.591 12.053 334 HB3 GLN 47 HB3 GLN 47 0.245 -0.236 10.645 335 HG2 GLN 47 HG2 GLN 47 2.415 0.867 10.398 336 HG3 GLN 47 HG3 GLN 47 1.159 2.076 10.614 337 HE21 GLN 47 HE21 GLN 47 2.013 3.731 11.881 338 HE22 GLN 47 HE22 GLN 47 2.946 3.498 13.279 339 H THR 48 H THR 48 -0.447 3.288 12.706 340 HA THR 48 HA THR 48 -2.808 3.727 11.061 341 HB THR 48 HB THR 48 -2.372 6.150 11.678 342 HG1 THR 48 HG1 THR 48 -0.493 4.975 13.438 343 HG21 THR 48 HG21 THR 48 -3.975 4.930 12.963 344 HG22 THR 48 HG22 THR 48 -2.924 5.734 14.130 345 HG23 THR 48 HG23 THR 48 -2.715 4.015 13.792 346 H VAL 49 H VAL 49 -2.818 4.367 9.011 347 HA VAL 49 HA VAL 49 -0.405 5.559 7.829 348 HB VAL 49 HB VAL 49 -0.440 4.017 5.907 349 HG11 VAL 49 HG11 VAL 49 0.678 2.215 6.987 350 HG12 VAL 49 HG12 VAL 49 -0.280 2.398 8.456 351 HG13 VAL 49 HG13 VAL 49 0.928 3.607 8.035 352 HG21 VAL 49 HG21 VAL 49 -1.734 1.863 6.184 353 HG22 VAL 49 HG22 VAL 49 -2.740 3.283 5.898 354 HG23 VAL 49 HG23 VAL 49 -2.589 2.622 7.527 355 H GLU 50 H GLU 50 -0.827 6.156 5.482 356 HA GLU 50 HA GLU 50 -3.622 7.000 5.055 357 HB2 GLU 50 HB2 GLU 50 -2.765 9.142 4.095 358 HB3 GLU 50 HB3 GLU 50 -2.479 9.000 5.830 359 HG2 GLU 50 HG2 GLU 50 -0.159 8.296 5.385 360 HG3 GLU 50 HG3 GLU 50 -0.447 8.417 3.652 361 H TYR 51 H TYR 51 -4.304 6.917 2.923 362 HA TYR 51 HA TYR 51 -2.445 6.437 0.767 363 HB2 TYR 51 HB2 TYR 51 -3.230 4.178 0.212 364 HB3 TYR 51 HB3 TYR 51 -2.484 4.213 1.807 365 HD1 TYR 51 HD1 TYR 51 -5.631 3.849 -0.059 366 HD2 TYR 51 HD2 TYR 51 -3.852 4.013 3.848 367 HE1 TYR 51 HE1 TYR 51 -7.720 2.953 0.929 368 HE2 TYR 51 HE2 TYR 51 -5.942 3.116 4.836 369 HH TYR 51 HH TYR 51 -8.777 3.185 3.512 370 H GLU 52 H GLU 52 -3.619 5.843 -1.286 371 HA GLU 52 HA GLU 52 -6.184 7.311 -1.423 372 HB2 GLU 52 HB2 GLU 52 -4.234 8.265 -2.715 373 HB3 GLU 52 HB3 GLU 52 -4.224 6.785 -3.676 374 HG2 GLU 52 HG2 GLU 52 -6.559 7.207 -4.355 375 HG3 GLU 52 HG3 GLU 52 -6.575 8.683 -3.393 376 H VAL 53 H VAL 53 -7.933 6.129 -1.890 377 HA VAL 53 HA VAL 53 -7.754 3.308 -2.340 378 HB VAL 53 HB VAL 53 -9.602 4.333 -1.076 379 HG11 VAL 53 HG11 VAL 53 -10.710 5.362 -3.690 380 HG12 VAL 53 HG12 VAL 53 -9.723 6.372 -2.636 381 HG13 VAL 53 HG13 VAL 53 -11.253 5.723 -2.052 382 HG21 VAL 53 HG21 VAL 53 -9.835 2.147 -2.412 383 HG22 VAL 53 HG22 VAL 53 -10.759 3.094 -3.580 384 HG23 VAL 53 HG23 VAL 53 -11.332 2.939 -1.918 385 H GLY 54 H GLY 54 -7.221 2.397 -4.183 386 HA2 GLY 54 HA2 GLY 54 -7.864 3.726 -6.735 387 HA3 GLY 54 HA3 GLY 54 -6.582 2.538 -6.501 388 H GLN 55 H GLN 55 -8.059 1.865 -8.524 389 HA GLN 55 HA GLN 55 -10.125 0.007 -7.515 390 HB2 GLN 55 HB2 GLN 55 -10.924 1.741 -9.118 391 HB3 GLN 55 HB3 GLN 55 -9.794 1.114 -10.322 392 HG2 GLN 55 HG2 GLN 55 -10.915 -1.092 -10.214 393 HG3 GLN 55 HG3 GLN 55 -12.050 -0.453 -9.025 394 HE21 GLN 55 HE21 GLN 55 -14.006 0.074 -9.994 395 HE22 GLN 55 HE22 GLN 55 -14.180 0.717 -11.556 396 H GLY 56 H GLY 56 -9.832 -2.107 -7.746 397 HA2 GLY 56 HA2 GLY 56 -7.704 -3.095 -9.547 398 HA3 GLY 56 HA3 GLY 56 -7.867 -3.695 -7.897 399 H GLN 57 H GLN 57 -7.991 -5.356 -10.172 400 HA GLN 57 HA GLN 57 -10.605 -5.913 -11.075 401 HB2 GLN 57 HB2 GLN 57 -8.134 -7.639 -10.851 402 HB3 GLN 57 HB3 GLN 57 -9.627 -8.179 -11.625 403 HG2 GLN 57 HG2 GLN 57 -9.511 -6.397 -13.248 404 HG3 GLN 57 HG3 GLN 57 -8.165 -5.641 -12.399 405 HE21 GLN 57 HE21 GLN 57 -8.265 -6.705 -15.220 406 HE22 GLN 57 HE22 GLN 57 -7.014 -7.849 -15.310 407 H LYS 58 H LYS 58 -8.742 -7.156 -8.323 408 HA LYS 58 HA LYS 58 -10.884 -8.929 -7.485 409 HB2 LYS 58 HB2 LYS 58 -8.255 -8.164 -6.196 410 HB3 LYS 58 HB3 LYS 58 -9.384 -9.343 -5.524 411 HG2 LYS 58 HG2 LYS 58 -9.235 -10.636 -7.663 412 HG3 LYS 58 HG3 LYS 58 -8.005 -9.504 -8.223 413 HD2 LYS 58 HD2 LYS 58 -7.739 -11.067 -5.643 414 HD3 LYS 58 HD3 LYS 58 -7.117 -11.655 -7.185 415 HE2 LYS 58 HE2 LYS 58 -5.754 -9.581 -7.395 416 HE3 LYS 58 HE3 LYS 58 -6.329 -9.068 -5.809 417 HZ1 LYS 58 HZ1 LYS 58 -5.050 -11.700 -6.177 418 HZ2 LYS 58 HZ2 LYS 58 -5.214 -10.783 -4.756 419 HZ3 LYS 58 HZ3 LYS 58 -4.110 -10.306 -5.957 420 H GLY 59 H GLY 59 -9.916 -5.656 -6.889 421 HA2 GLY 59 HA2 GLY 59 -12.162 -4.693 -5.724 422 HA3 GLY 59 HA3 GLY 59 -11.296 -5.386 -4.356 423 HA PRO 60 HA PRO 60 -9.687 -1.031 -5.157 424 HB2 PRO 60 HB2 PRO 60 -10.062 0.006 -2.681 425 HB3 PRO 60 HB3 PRO 60 -11.345 -0.010 -3.909 426 HG2 PRO 60 HG2 PRO 60 -10.902 -1.872 -1.618 427 HG3 PRO 60 HG3 PRO 60 -12.402 -1.113 -2.182 428 HD2 PRO 60 HD2 PRO 60 -11.755 -3.684 -2.806 429 HD3 PRO 60 HD3 PRO 60 -12.690 -2.647 -3.907 430 H CYS 61 H CYS 61 -7.774 -0.024 -4.271 431 HA CYS 61 HA CYS 61 -6.206 -1.664 -2.389 432 HB2 CYS 61 HB2 CYS 61 -4.240 -1.561 -3.844 433 HB3 CYS 61 HB3 CYS 61 -5.572 -2.365 -4.672 434 HG CYS 61 HG CYS 61 -4.270 -0.279 -6.023 435 H ALA 62 H ALA 62 -4.088 -0.479 -1.837 436 HA ALA 62 HA ALA 62 -4.719 2.382 -1.407 437 HB1 ALA 62 HB1 ALA 62 -2.935 2.096 0.431 438 HB2 ALA 62 HB2 ALA 62 -3.141 0.366 0.177 439 HB3 ALA 62 HB3 ALA 62 -4.508 1.349 0.706 440 H ASN 63 H ASN 63 -3.392 3.905 -2.265 441 HA ASN 63 HA ASN 63 -0.812 3.008 -3.411 442 HB2 ASN 63 HB2 ASN 63 -2.666 5.195 -4.389 443 HB3 ASN 63 HB3 ASN 63 -1.109 4.776 -5.100 444 HD21 ASN 63 HD21 ASN 63 -4.136 4.482 -5.976 445 HD22 ASN 63 HD22 ASN 63 -4.184 2.896 -6.579 446 H LYS 64 H LYS 64 0.962 4.432 -3.215 447 HA LYS 64 HA LYS 64 2.321 5.893 -2.075 448 HB2 LYS 64 HB2 LYS 64 -0.206 7.559 -2.194 449 HB3 LYS 64 HB3 LYS 64 1.375 8.177 -1.712 450 HG2 LYS 64 HG2 LYS 64 2.303 7.516 -3.904 451 HG3 LYS 64 HG3 LYS 64 0.721 6.901 -4.386 452 HD2 LYS 64 HD2 LYS 64 -0.243 9.156 -4.112 453 HD3 LYS 64 HD3 LYS 64 1.340 9.775 -3.635 454 HE2 LYS 64 HE2 LYS 64 2.261 9.120 -5.826 455 HE3 LYS 64 HE3 LYS 64 0.684 8.493 -6.306 456 HZ1 LYS 64 HZ1 LYS 64 1.511 11.285 -5.860 457 HZ2 LYS 64 HZ2 LYS 64 -0.123 10.846 -5.702 458 HZ3 LYS 64 HZ3 LYS 64 0.683 10.613 -7.179 459 H VAL 65 H VAL 65 1.551 3.939 -0.461 460 HA VAL 65 HA VAL 65 0.151 4.763 1.892 461 HB VAL 65 HB VAL 65 2.061 2.439 1.460 462 HG11 VAL 65 HG11 VAL 65 0.928 1.448 3.433 463 HG12 VAL 65 HG12 VAL 65 0.016 2.941 3.648 464 HG13 VAL 65 HG13 VAL 65 1.768 2.942 3.852 465 HG21 VAL 65 HG21 VAL 65 -0.035 2.568 0.010 466 HG22 VAL 65 HG22 VAL 65 -0.966 2.417 1.499 467 HG23 VAL 65 HG23 VAL 65 0.115 1.117 1.001 468 H VAL 66 H VAL 66 0.848 6.053 3.419 469 HA VAL 66 HA VAL 66 3.760 6.225 3.975 470 HB VAL 66 HB VAL 66 1.788 8.534 3.973 471 HG11 VAL 66 HG11 VAL 66 4.777 8.509 4.496 472 HG12 VAL 66 HG12 VAL 66 3.536 8.732 5.729 473 HG13 VAL 66 HG13 VAL 66 3.743 9.938 4.459 474 HG21 VAL 66 HG21 VAL 66 2.534 7.701 1.716 475 HG22 VAL 66 HG22 VAL 66 4.196 8.037 2.201 476 HG23 VAL 66 HG23 VAL 66 3.033 9.356 2.063 477 H ALA 67 H ALA 67 4.293 5.796 6.004 478 HA ALA 67 HA ALA 67 2.337 5.124 7.970 479 HB1 ALA 67 HB1 ALA 67 4.418 4.990 9.466 480 HB2 ALA 67 HB2 ALA 67 5.340 5.364 8.010 481 HB3 ALA 67 HB3 ALA 67 4.356 3.902 8.079 482 H VAL 68 H VAL 68 1.651 6.223 9.746 483 HA VAL 68 HA VAL 68 2.851 8.538 10.829 484 HB VAL 68 HB VAL 68 2.143 9.583 8.708 485 HG11 VAL 68 HG11 VAL 68 -0.126 9.693 8.004 486 HG12 VAL 68 HG12 VAL 68 -0.714 9.055 9.539 487 HG13 VAL 68 HG13 VAL 68 0.152 8.003 8.421 488 HG21 VAL 68 HG21 VAL 68 0.813 11.446 9.689 489 HG22 VAL 68 HG22 VAL 68 2.163 10.977 10.721 490 HG23 VAL 68 HG23 VAL 68 0.526 10.460 11.123 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -7.210 14.191 3.344 2 H2 MET 1 HT2 MET 1 -6.210 14.870 2.149 3 H3 MET 1 HT3 MET 1 -5.593 14.554 3.701 4 HA MET 1 HA MET 1 -6.161 12.697 1.504 5 HB2 MET 1 HB2 MET 1 -3.858 13.565 2.098 6 HB3 MET 1 HB3 MET 1 -4.011 12.722 3.640 7 HG2 MET 1 HG2 MET 1 -2.805 11.286 2.096 8 HG3 MET 1 HG3 MET 1 -4.402 10.592 2.374 9 HE1 MET 1 HE1 MET 1 -3.121 13.622 -0.028 10 HE2 MET 1 HE2 MET 1 -2.665 12.547 -1.346 11 HE3 MET 1 HE3 MET 1 -1.956 12.322 0.251 12 H SER 2 H SER 2 -7.093 10.767 1.828 13 HA SER 2 HA SER 2 -8.474 10.181 4.242 14 HB2 SER 2 HB2 SER 2 -7.859 8.431 1.851 15 HB3 SER 2 HB3 SER 2 -8.979 8.010 3.142 16 HG SER 2 HG SER 2 -9.355 9.590 0.996 17 H LYS 3 H LYS 3 -8.114 8.572 5.776 18 HA LYS 3 HA LYS 3 -5.700 6.964 5.710 19 HB2 LYS 3 HB2 LYS 3 -4.735 7.891 7.765 20 HB3 LYS 3 HB3 LYS 3 -4.827 9.119 6.506 21 HG2 LYS 3 HG2 LYS 3 -6.904 10.001 7.516 22 HG3 LYS 3 HG3 LYS 3 -6.798 8.775 8.781 23 HD2 LYS 3 HD2 LYS 3 -4.623 9.692 9.495 24 HD3 LYS 3 HD3 LYS 3 -4.723 10.919 8.230 25 HE2 LYS 3 HE2 LYS 3 -6.788 11.805 9.244 26 HE3 LYS 3 HE3 LYS 3 -6.697 10.578 10.508 27 HZ1 LYS 3 HZ1 LYS 3 -4.915 11.579 11.487 28 HZ2 LYS 3 HZ2 LYS 3 -5.706 12.951 10.872 29 HZ3 LYS 3 HZ3 LYS 3 -4.369 12.298 10.053 30 H GLY 4 H GLY 4 -5.806 5.211 7.043 31 HA2 GLY 4 HA2 GLY 4 -8.107 5.006 8.886 32 HA3 GLY 4 HA3 GLY 4 -7.830 3.762 7.671 33 H ILE 5 H ILE 5 -7.790 2.399 9.647 34 HA ILE 5 HA ILE 5 -5.089 2.388 10.870 35 HB ILE 5 HB ILE 5 -6.196 1.077 12.744 36 HG12 ILE 5 HG12 ILE 5 -8.777 2.278 11.709 37 HG13 ILE 5 HG13 ILE 5 -8.303 0.638 11.282 38 HG21 ILE 5 HG21 ILE 5 -7.053 3.938 12.222 39 HG22 ILE 5 HG22 ILE 5 -5.575 3.414 13.025 40 HG23 ILE 5 HG23 ILE 5 -7.139 3.139 13.791 41 HD11 ILE 5 HD11 ILE 5 -8.829 1.756 14.047 42 HD12 ILE 5 HD12 ILE 5 -8.037 0.202 13.785 43 HD13 ILE 5 HD13 ILE 5 -9.692 0.452 13.231 44 H VAL 6 H VAL 6 -3.855 0.720 10.488 45 HA VAL 6 HA VAL 6 -4.625 -1.295 8.655 46 HB VAL 6 HB VAL 6 -2.166 -1.122 10.417 47 HG11 VAL 6 HG11 VAL 6 -1.188 -2.580 8.561 48 HG12 VAL 6 HG12 VAL 6 -2.844 -2.861 8.030 49 HG13 VAL 6 HG13 VAL 6 -2.333 -3.383 9.635 50 HG21 VAL 6 HG21 VAL 6 -2.646 0.779 8.762 51 HG22 VAL 6 HG22 VAL 6 -2.434 -0.416 7.483 52 HG23 VAL 6 HG23 VAL 6 -1.096 -0.042 8.570 53 H LYS 7 H LYS 7 -5.626 -3.150 8.989 54 HA LYS 7 HA LYS 7 -6.437 -4.043 11.577 55 HB2 LYS 7 HB2 LYS 7 -7.652 -4.550 9.419 56 HB3 LYS 7 HB3 LYS 7 -6.352 -5.680 9.027 57 HG2 LYS 7 HG2 LYS 7 -6.809 -6.890 11.166 58 HG3 LYS 7 HG3 LYS 7 -8.166 -5.807 11.456 59 HD2 LYS 7 HD2 LYS 7 -7.927 -7.474 8.939 60 HD3 LYS 7 HD3 LYS 7 -8.753 -8.050 10.386 61 HE2 LYS 7 HE2 LYS 7 -10.245 -6.057 10.298 62 HE3 LYS 7 HE3 LYS 7 -9.454 -5.558 8.802 63 HZ1 LYS 7 HZ1 LYS 7 -11.614 -6.986 8.741 64 HZ2 LYS 7 HZ2 LYS 7 -10.541 -8.277 8.997 65 HZ3 LYS 7 HZ3 LYS 7 -10.363 -7.279 7.632 66 H TRP 8 H TRP 8 -3.989 -5.092 9.235 67 HA TRP 8 HA TRP 8 -2.118 -5.798 11.228 68 HB2 TRP 8 HB2 TRP 8 -2.004 -8.221 10.897 69 HB3 TRP 8 HB3 TRP 8 -3.557 -7.742 11.569 70 HD1 TRP 8 HD1 TRP 8 -5.696 -7.936 10.003 71 HE1 TRP 8 HE1 TRP 8 -6.139 -9.309 7.868 72 HE3 TRP 8 HE3 TRP 8 -0.902 -9.126 8.710 73 HZ2 TRP 8 HZ2 TRP 8 -4.658 -10.731 5.880 74 HZ3 TRP 8 HZ3 TRP 8 -0.449 -10.493 6.694 75 HH2 TRP 8 HH2 TRP 8 -2.317 -11.295 5.278 76 H PHE 9 H PHE 9 -0.106 -5.886 10.431 77 HA PHE 9 HA PHE 9 0.168 -5.914 7.466 78 HB2 PHE 9 HB2 PHE 9 0.590 -3.673 8.552 79 HB3 PHE 9 HB3 PHE 9 1.962 -4.411 9.384 80 HD1 PHE 9 HD1 PHE 9 0.627 -3.307 6.138 81 HD2 PHE 9 HD2 PHE 9 3.939 -5.163 8.144 82 HE1 PHE 9 HE1 PHE 9 2.024 -2.999 4.114 83 HE2 PHE 9 HE2 PHE 9 5.340 -4.851 6.122 84 HZ PHE 9 HZ PHE 9 4.382 -3.769 4.106 85 H ASN 10 H ASN 10 1.508 -7.403 6.632 86 HA ASN 10 HA ASN 10 3.516 -8.651 8.406 87 HB2 ASN 10 HB2 ASN 10 1.542 -10.056 6.607 88 HB3 ASN 10 HB3 ASN 10 3.010 -10.829 7.197 89 HD21 ASN 10 HD21 ASN 10 0.393 -11.780 7.914 90 HD22 ASN 10 HD22 ASN 10 0.178 -11.534 9.579 91 H SER 11 H SER 11 5.301 -7.717 7.547 92 HA SER 11 HA SER 11 5.751 -7.217 4.809 93 HB2 SER 11 HB2 SER 11 8.070 -6.829 5.476 94 HB3 SER 11 HB3 SER 11 6.969 -6.090 6.636 95 HG SER 11 HG SER 11 8.828 -7.523 7.370 96 H ASP 12 H ASP 12 6.288 -10.065 6.812 97 HA ASP 12 HA ASP 12 8.122 -11.449 5.173 98 HB2 ASP 12 HB2 ASP 12 5.933 -12.448 7.014 99 HB3 ASP 12 HB3 ASP 12 7.075 -13.520 6.208 100 H LYS 13 H LYS 13 4.584 -11.313 5.179 101 HA LYS 13 HA LYS 13 4.260 -13.019 2.882 102 HB2 LYS 13 HB2 LYS 13 2.383 -11.115 4.305 103 HB3 LYS 13 HB3 LYS 13 1.903 -12.141 2.955 104 HG2 LYS 13 HG2 LYS 13 2.580 -14.144 4.225 105 HG3 LYS 13 HG3 LYS 13 3.061 -13.119 5.582 106 HD2 LYS 13 HD2 LYS 13 0.740 -12.283 5.765 107 HD3 LYS 13 HD3 LYS 13 0.263 -13.333 4.429 108 HE2 LYS 13 HE2 LYS 13 1.465 -14.301 7.039 109 HE3 LYS 13 HE3 LYS 13 -0.255 -14.336 6.651 110 HZ1 LYS 13 HZ1 LYS 13 0.284 -15.719 4.713 111 HZ2 LYS 13 HZ2 LYS 13 0.729 -16.461 6.176 112 HZ3 LYS 13 HZ3 LYS 13 1.912 -15.745 5.188 113 H GLY 14 H GLY 14 4.783 -9.632 3.486 114 HA2 GLY 14 HA2 GLY 14 5.609 -8.070 1.929 115 HA3 GLY 14 HA3 GLY 14 5.058 -9.108 0.623 116 H PHE 15 H PHE 15 2.612 -8.762 2.956 117 HA PHE 15 HA PHE 15 1.545 -6.259 1.983 118 HB2 PHE 15 HB2 PHE 15 -0.516 -7.209 1.012 119 HB3 PHE 15 HB3 PHE 15 0.925 -7.670 0.104 120 HD1 PHE 15 HD1 PHE 15 -1.711 -8.845 2.410 121 HD2 PHE 15 HD2 PHE 15 1.721 -9.968 0.083 122 HE1 PHE 15 HE1 PHE 15 -2.299 -11.237 2.695 123 HE2 PHE 15 HE2 PHE 15 1.135 -12.360 0.371 124 HZ PHE 15 HZ PHE 15 -0.875 -12.995 1.678 125 H GLY 16 H GLY 16 -0.792 -5.997 2.768 126 HA2 GLY 16 HA2 GLY 16 -1.502 -7.434 5.173 127 HA3 GLY 16 HA3 GLY 16 -0.942 -5.787 5.460 128 H PHE 17 H PHE 17 -3.421 -6.255 6.239 129 HA PHE 17 HA PHE 17 -5.147 -5.082 4.137 130 HB2 PHE 17 HB2 PHE 17 -5.811 -7.031 6.351 131 HB3 PHE 17 HB3 PHE 17 -7.045 -6.123 5.476 132 HD1 PHE 17 HD1 PHE 17 -4.189 -8.477 5.011 133 HD2 PHE 17 HD2 PHE 17 -7.782 -6.835 3.334 134 HE1 PHE 17 HE1 PHE 17 -4.097 -10.150 3.183 135 HE2 PHE 17 HE2 PHE 17 -7.688 -8.501 1.501 136 HZ PHE 17 HZ PHE 17 -5.846 -10.158 1.424 137 H ILE 18 H ILE 18 -6.286 -3.272 4.647 138 HA ILE 18 HA ILE 18 -5.853 -2.187 7.354 139 HB ILE 18 HB ILE 18 -4.591 -0.962 5.642 140 HG12 ILE 18 HG12 ILE 18 -6.921 0.768 6.490 141 HG13 ILE 18 HG13 ILE 18 -5.735 0.179 7.654 142 HG21 ILE 18 HG21 ILE 18 -5.962 -1.380 3.685 143 HG22 ILE 18 HG22 ILE 18 -5.881 0.363 3.940 144 HG23 ILE 18 HG23 ILE 18 -7.329 -0.532 4.408 145 HD11 ILE 18 HD11 ILE 18 -5.287 2.013 5.297 146 HD12 ILE 18 HD12 ILE 18 -3.955 1.156 6.069 147 HD13 ILE 18 HD13 ILE 18 -4.916 2.308 6.996 148 H THR 19 H THR 19 -7.457 -1.120 8.392 149 HA THR 19 HA THR 19 -10.168 -1.721 7.467 150 HB THR 19 HB THR 19 -9.201 -0.861 10.199 151 HG1 THR 19 HG1 THR 19 -8.526 -2.848 10.209 152 HG21 THR 19 HG21 THR 19 -11.852 -1.942 9.198 153 HG22 THR 19 HG22 THR 19 -11.553 -0.340 9.872 154 HG23 THR 19 HG23 THR 19 -11.433 -1.766 10.903 155 HA PRO 20 HA PRO 20 -10.111 2.736 6.273 156 HB2 PRO 20 HB2 PRO 20 -12.976 2.000 5.794 157 HB3 PRO 20 HB3 PRO 20 -11.875 2.947 4.772 158 HG2 PRO 20 HG2 PRO 20 -12.416 0.471 4.130 159 HG3 PRO 20 HG3 PRO 20 -10.745 1.061 4.027 160 HD2 PRO 20 HD2 PRO 20 -11.992 -0.695 6.123 161 HD3 PRO 20 HD3 PRO 20 -10.372 -0.777 5.396 162 H GLU 21 H GLU 21 -10.483 4.440 7.531 163 HA GLU 21 HA GLU 21 -11.534 4.280 10.120 164 HB2 GLU 21 HB2 GLU 21 -9.924 5.995 9.404 165 HB3 GLU 21 HB3 GLU 21 -11.136 6.704 8.341 166 HG2 GLU 21 HG2 GLU 21 -11.044 7.994 10.401 167 HG3 GLU 21 HG3 GLU 21 -12.579 7.128 10.319 168 H ASP 22 H ASP 22 -12.989 5.418 7.091 169 HA ASP 22 HA ASP 22 -15.410 6.385 8.201 170 HB2 ASP 22 HB2 ASP 22 -14.689 5.425 5.430 171 HB3 ASP 22 HB3 ASP 22 -16.265 6.093 5.830 172 H GLY 23 H GLY 23 -14.288 3.176 7.768 173 HA2 GLY 23 HA2 GLY 23 -15.430 1.303 8.715 174 HA3 GLY 23 HA3 GLY 23 -16.960 2.125 8.426 175 H SER 24 H SER 24 -14.855 2.438 5.790 176 HA SER 24 HA SER 24 -16.523 0.889 4.064 177 HB2 SER 24 HB2 SER 24 -13.820 2.157 3.600 178 HB3 SER 24 HB3 SER 24 -14.817 1.440 2.345 179 HG SER 24 HG SER 24 -14.931 3.874 3.135 180 H LYS 25 H LYS 25 -15.613 -0.782 2.588 181 HA LYS 25 HA LYS 25 -14.780 -3.053 4.002 182 HB2 LYS 25 HB2 LYS 25 -16.009 -3.078 1.831 183 HB3 LYS 25 HB3 LYS 25 -14.537 -2.546 1.024 184 HG2 LYS 25 HG2 LYS 25 -14.643 -4.936 0.768 185 HG3 LYS 25 HG3 LYS 25 -13.396 -4.610 1.968 186 HD2 LYS 25 HD2 LYS 25 -14.954 -5.119 3.784 187 HD3 LYS 25 HD3 LYS 25 -16.265 -5.346 2.626 188 HE2 LYS 25 HE2 LYS 25 -15.030 -7.221 1.597 189 HE3 LYS 25 HE3 LYS 25 -13.724 -6.996 2.758 190 HZ1 LYS 25 HZ1 LYS 25 -15.220 -8.741 3.471 191 HZ2 LYS 25 HZ2 LYS 25 -16.540 -7.671 3.418 192 HZ3 LYS 25 HZ3 LYS 25 -15.294 -7.432 4.548 193 H ASP 26 H ASP 26 -12.823 -4.098 4.242 194 HA ASP 26 HA ASP 26 -10.497 -2.651 4.568 195 HB2 ASP 26 HB2 ASP 26 -10.790 -5.594 3.942 196 HB3 ASP 26 HB3 ASP 26 -9.340 -4.835 4.596 197 H LEU 27 H LEU 27 -8.707 -2.207 3.374 198 HA LEU 27 HA LEU 27 -8.905 -2.671 0.462 199 HB2 LEU 27 HB2 LEU 27 -7.475 -0.496 2.014 200 HB3 LEU 27 HB3 LEU 27 -7.444 -0.672 0.261 201 HG LEU 27 HG LEU 27 -10.017 -0.367 1.839 202 HD11 LEU 27 HD11 LEU 27 -9.934 2.006 0.939 203 HD12 LEU 27 HD12 LEU 27 -8.248 1.711 0.519 204 HD13 LEU 27 HD13 LEU 27 -8.759 1.654 2.206 205 HD21 LEU 27 HD21 LEU 27 -9.291 -0.072 -1.097 206 HD22 LEU 27 HD22 LEU 27 -10.867 0.329 -0.416 207 HD23 LEU 27 HD23 LEU 27 -10.291 -1.339 -0.387 208 H PHE 28 H PHE 28 -7.146 -3.396 -0.684 209 HA PHE 28 HA PHE 28 -5.195 -4.973 0.757 210 HB2 PHE 28 HB2 PHE 28 -5.617 -4.391 -2.186 211 HB3 PHE 28 HB3 PHE 28 -4.351 -5.458 -1.572 212 HD1 PHE 28 HD1 PHE 28 -8.005 -4.976 -1.903 213 HD2 PHE 28 HD2 PHE 28 -4.868 -7.649 -0.693 214 HE1 PHE 28 HE1 PHE 28 -9.636 -6.841 -1.796 215 HE2 PHE 28 HE2 PHE 28 -6.500 -9.513 -0.584 216 HZ PHE 28 HZ PHE 28 -8.883 -9.110 -1.135 217 H VAL 29 H VAL 29 -3.217 -4.328 1.359 218 HA VAL 29 HA VAL 29 -1.976 -2.029 -0.012 219 HB VAL 29 HB VAL 29 -2.141 -2.442 2.989 220 HG11 VAL 29 HG11 VAL 29 -0.660 -0.411 1.300 221 HG12 VAL 29 HG12 VAL 29 0.023 -1.507 2.502 222 HG13 VAL 29 HG13 VAL 29 -1.000 -0.164 3.014 223 HG21 VAL 29 HG21 VAL 29 -3.357 -0.274 2.924 224 HG22 VAL 29 HG22 VAL 29 -4.204 -1.534 2.027 225 HG23 VAL 29 HG23 VAL 29 -3.280 -0.306 1.162 226 H HIS 30 H HIS 30 0.130 -2.328 -0.517 227 HA HIS 30 HA HIS 30 1.417 -4.816 0.427 228 HB2 HIS 30 HB2 HIS 30 1.777 -3.207 -2.106 229 HB3 HIS 30 HB3 HIS 30 2.830 -4.544 -1.642 230 HD2 HIS 30 HD2 HIS 30 1.756 -7.091 -2.108 231 HE1 HIS 30 HE1 HIS 30 -2.065 -5.820 -3.373 232 HE2 HIS 30 HE2 HIS 30 -0.530 -7.828 -3.129 233 H HIS 31 H HIS 31 3.634 -4.812 0.923 234 HA HIS 31 HA HIS 31 4.551 -2.633 2.480 235 HB2 HIS 31 HB2 HIS 31 5.253 -5.022 2.772 236 HB3 HIS 31 HB3 HIS 31 6.209 -4.878 1.297 237 HD2 HIS 31 HD2 HIS 31 6.426 -3.850 5.053 238 HE1 HIS 31 HE1 HIS 31 9.846 -2.309 3.120 239 HE2 HIS 31 HE2 HIS 31 8.747 -2.698 5.375 240 H SER 32 H SER 32 5.439 -3.773 -0.750 241 HA SER 32 HA SER 32 7.391 -1.750 -1.251 242 HB2 SER 32 HB2 SER 32 7.401 -2.609 -3.525 243 HB3 SER 32 HB3 SER 32 7.372 -3.949 -2.382 244 HG SER 32 HG SER 32 5.716 -4.515 -3.577 245 H GLU 33 H GLU 33 4.026 -1.517 -1.148 246 HA GLU 33 HA GLU 33 3.507 0.169 -3.370 247 HB2 GLU 33 HB2 GLU 33 1.800 -1.112 -2.036 248 HB3 GLU 33 HB3 GLU 33 1.991 0.084 -0.758 249 HG2 GLU 33 HG2 GLU 33 0.082 0.685 -2.145 250 HG3 GLU 33 HG3 GLU 33 1.362 1.872 -2.368 251 H ILE 34 H ILE 34 4.788 0.832 -0.160 252 HA ILE 34 HA ILE 34 4.272 3.665 -0.253 253 HB ILE 34 HB ILE 34 4.503 2.479 1.897 254 HG12 ILE 34 HG12 ILE 34 6.827 4.403 1.625 255 HG13 ILE 34 HG13 ILE 34 5.154 4.948 1.565 256 HG21 ILE 34 HG21 ILE 34 7.482 2.266 1.469 257 HG22 ILE 34 HG22 ILE 34 6.426 0.987 0.882 258 HG23 ILE 34 HG23 ILE 34 6.449 1.384 2.596 259 HD11 ILE 34 HD11 ILE 34 4.808 3.755 3.789 260 HD12 ILE 34 HD12 ILE 34 5.862 5.168 3.851 261 HD13 ILE 34 HD13 ILE 34 6.558 3.548 3.854 262 H GLN 35 H GLN 35 5.272 5.042 -1.547 263 HA GLN 35 HA GLN 35 7.568 4.432 -3.089 264 HB2 GLN 35 HB2 GLN 35 5.843 6.142 -3.691 265 HB3 GLN 35 HB3 GLN 35 6.466 7.171 -2.402 266 HG2 GLN 35 HG2 GLN 35 8.665 7.244 -3.479 267 HG3 GLN 35 HG3 GLN 35 8.108 6.141 -4.735 268 HE21 GLN 35 HE21 GLN 35 8.311 7.639 -6.501 269 HE22 GLN 35 HE22 GLN 35 7.347 9.031 -6.628 270 H SER 36 H SER 36 7.100 6.240 -0.079 271 HA SER 36 HA SER 36 9.855 5.781 0.699 272 HB2 SER 36 HB2 SER 36 10.436 8.118 0.990 273 HB3 SER 36 HB3 SER 36 9.985 7.848 -0.690 274 HG SER 36 HG SER 36 8.933 9.555 1.027 275 H GLY 37 H GLY 37 10.256 6.490 2.933 276 HA2 GLY 37 HA2 GLY 37 8.273 7.505 4.654 277 HA3 GLY 37 HA3 GLY 37 8.197 5.746 4.697 278 H GLY 38 H GLY 38 10.707 8.284 4.715 279 HA2 GLY 38 HA2 GLY 38 12.601 8.566 5.989 280 HA3 GLY 38 HA3 GLY 38 11.721 7.742 7.274 281 H GLU 39 H GLU 39 13.081 6.254 8.069 282 HA GLU 39 HA GLU 39 14.188 4.254 6.206 283 HB2 GLU 39 HB2 GLU 39 15.715 5.574 8.464 284 HB3 GLU 39 HB3 GLU 39 16.291 4.211 7.506 285 HG2 GLU 39 HG2 GLU 39 16.127 5.590 5.458 286 HG3 GLU 39 HG3 GLU 39 15.581 6.955 6.429 287 H TYR 40 H TYR 40 14.390 2.179 7.028 288 HA TYR 40 HA TYR 40 13.756 0.354 8.266 289 HB2 TYR 40 HB2 TYR 40 14.279 2.284 10.541 290 HB3 TYR 40 HB3 TYR 40 14.082 0.543 10.722 291 HD1 TYR 40 HD1 TYR 40 16.291 3.230 9.549 292 HD2 TYR 40 HD2 TYR 40 15.762 -1.023 9.825 293 HE1 TYR 40 HE1 TYR 40 18.686 2.897 9.000 294 HE2 TYR 40 HE2 TYR 40 18.160 -1.356 9.277 295 HH TYR 40 HH TYR 40 20.032 0.766 7.866 296 H ALA 41 H ALA 41 11.640 2.111 7.313 297 HA ALA 41 HA ALA 41 9.651 2.557 9.273 298 HB1 ALA 41 HB1 ALA 41 9.584 2.213 6.283 299 HB2 ALA 41 HB2 ALA 41 9.320 3.676 7.232 300 HB3 ALA 41 HB3 ALA 41 8.096 2.405 7.210 301 H THR 42 H THR 42 8.303 1.212 10.286 302 HA THR 42 HA THR 42 7.920 -1.519 9.211 303 HB THR 42 HB THR 42 7.962 -2.382 11.522 304 HG1 THR 42 HG1 THR 42 8.104 -1.071 13.155 305 HG21 THR 42 HG21 THR 42 10.029 -2.617 10.388 306 HG22 THR 42 HG22 THR 42 10.453 -1.902 11.944 307 HG23 THR 42 HG23 THR 42 10.380 -0.892 10.501 308 H LEU 43 H LEU 43 5.987 -2.594 9.976 309 HA LEU 43 HA LEU 43 3.885 -0.891 11.092 310 HB2 LEU 43 HB2 LEU 43 3.554 -2.374 8.471 311 HB3 LEU 43 HB3 LEU 43 2.284 -1.527 9.342 312 HG LEU 43 HG LEU 43 4.058 0.509 9.164 313 HD11 LEU 43 HD11 LEU 43 5.654 -1.059 7.894 314 HD12 LEU 43 HD12 LEU 43 5.321 0.498 7.145 315 HD13 LEU 43 HD13 LEU 43 4.519 -0.955 6.554 316 HD21 LEU 43 HD21 LEU 43 2.128 -0.411 7.012 317 HD22 LEU 43 HD22 LEU 43 2.864 1.190 7.046 318 HD23 LEU 43 HD23 LEU 43 1.789 0.687 8.350 319 H ALA 44 H ALA 44 2.135 -2.086 11.973 320 HA ALA 44 HA ALA 44 2.377 -5.005 12.076 321 HB1 ALA 44 HB1 ALA 44 3.759 -3.897 13.948 322 HB2 ALA 44 HB2 ALA 44 2.598 -5.132 14.436 323 HB3 ALA 44 HB3 ALA 44 2.208 -3.424 14.647 324 H ASP 45 H ASP 45 0.465 -5.049 14.417 325 HA ASP 45 HA ASP 45 -1.959 -4.641 12.873 326 HB2 ASP 45 HB2 ASP 45 -3.062 -5.787 14.765 327 HB3 ASP 45 HB3 ASP 45 -1.729 -6.725 14.106 328 H GLY 46 H GLY 46 -2.886 -2.713 12.854 329 HA2 GLY 46 HA2 GLY 46 -4.250 -1.100 13.995 330 HA3 GLY 46 HA3 GLY 46 -3.220 -1.274 15.407 331 H GLN 47 H GLN 47 -1.230 -1.128 12.712 332 HA GLN 47 HA GLN 47 -0.107 1.369 13.373 333 HB2 GLN 47 HB2 GLN 47 1.040 -0.479 12.118 334 HB3 GLN 47 HB3 GLN 47 0.060 -0.069 10.710 335 HG2 GLN 47 HG2 GLN 47 2.239 1.022 10.531 336 HG3 GLN 47 HG3 GLN 47 0.989 2.235 10.771 337 HE21 GLN 47 HE21 GLN 47 1.749 3.827 12.169 338 HE22 GLN 47 HE22 GLN 47 2.699 3.541 13.546 339 H THR 48 H THR 48 -0.623 3.401 12.822 340 HA THR 48 HA THR 48 -3.006 3.873 11.204 341 HB THR 48 HB THR 48 -1.227 5.835 12.688 342 HG1 THR 48 HG1 THR 48 -2.279 4.273 14.011 343 HG21 THR 48 HG21 THR 48 -4.094 6.193 11.790 344 HG22 THR 48 HG22 THR 48 -2.725 6.717 10.810 345 HG23 THR 48 HG23 THR 48 -2.990 7.424 12.405 346 H VAL 49 H VAL 49 -2.970 4.420 9.111 347 HA VAL 49 HA VAL 49 -0.564 5.709 8.009 348 HB VAL 49 HB VAL 49 -0.566 4.189 6.056 349 HG11 VAL 49 HG11 VAL 49 0.558 2.370 7.159 350 HG12 VAL 49 HG12 VAL 49 -0.333 2.651 8.654 351 HG13 VAL 49 HG13 VAL 49 0.869 3.822 8.109 352 HG21 VAL 49 HG21 VAL 49 -2.850 3.385 6.072 353 HG22 VAL 49 HG22 VAL 49 -2.654 2.715 7.692 354 HG23 VAL 49 HG23 VAL 49 -1.793 1.997 6.330 355 H GLU 50 H GLU 50 -0.888 6.472 5.768 356 HA GLU 50 HA GLU 50 -3.647 7.487 5.381 357 HB2 GLU 50 HB2 GLU 50 -1.030 8.653 4.361 358 HB3 GLU 50 HB3 GLU 50 -2.633 9.355 4.156 359 HG2 GLU 50 HG2 GLU 50 -2.833 9.584 6.617 360 HG3 GLU 50 HG3 GLU 50 -1.215 8.916 6.804 361 H TYR 51 H TYR 51 -4.588 7.125 3.334 362 HA TYR 51 HA TYR 51 -2.942 6.010 1.202 363 HB2 TYR 51 HB2 TYR 51 -4.272 3.965 0.967 364 HB3 TYR 51 HB3 TYR 51 -3.476 4.024 2.534 365 HD1 TYR 51 HD1 TYR 51 -6.697 4.331 0.760 366 HD2 TYR 51 HD2 TYR 51 -4.758 4.297 4.591 367 HE1 TYR 51 HE1 TYR 51 -8.901 4.100 1.872 368 HE2 TYR 51 HE2 TYR 51 -6.963 4.063 5.702 369 HH TYR 51 HH TYR 51 -9.928 4.493 4.008 370 H GLU 52 H GLU 52 -4.136 5.579 -0.773 371 HA GLU 52 HA GLU 52 -6.518 7.306 -1.081 372 HB2 GLU 52 HB2 GLU 52 -4.460 8.267 -2.136 373 HB3 GLU 52 HB3 GLU 52 -4.338 6.817 -3.132 374 HG2 GLU 52 HG2 GLU 52 -6.550 7.277 -4.105 375 HG3 GLU 52 HG3 GLU 52 -6.707 8.710 -3.089 376 H VAL 53 H VAL 53 -8.252 6.315 -1.900 377 HA VAL 53 HA VAL 53 -8.361 3.519 -2.260 378 HB VAL 53 HB VAL 53 -10.296 4.909 -1.596 379 HG11 VAL 53 HG11 VAL 53 -10.306 5.832 -4.486 380 HG12 VAL 53 HG12 VAL 53 -9.849 6.830 -3.105 381 HG13 VAL 53 HG13 VAL 53 -11.503 6.240 -3.258 382 HG21 VAL 53 HG21 VAL 53 -10.817 3.463 -4.211 383 HG22 VAL 53 HG22 VAL 53 -11.970 3.733 -2.902 384 HG23 VAL 53 HG23 VAL 53 -10.597 2.652 -2.661 385 H GLY 54 H GLY 54 -8.713 2.275 -4.110 386 HA2 GLY 54 HA2 GLY 54 -8.139 3.462 -6.736 387 HA3 GLY 54 HA3 GLY 54 -7.098 2.158 -6.164 388 H GLN 55 H GLN 55 -8.576 1.878 -8.509 389 HA GLN 55 HA GLN 55 -10.880 0.187 -7.794 390 HB2 GLN 55 HB2 GLN 55 -11.094 2.013 -9.536 391 HB3 GLN 55 HB3 GLN 55 -10.018 1.058 -10.557 392 HG2 GLN 55 HG2 GLN 55 -12.492 -0.181 -9.351 393 HG3 GLN 55 HG3 GLN 55 -12.587 0.748 -10.843 394 HE21 GLN 55 HE21 GLN 55 -12.954 -2.219 -10.423 395 HE22 GLN 55 HE22 GLN 55 -11.835 -2.954 -11.466 396 H GLY 56 H GLY 56 -10.800 -1.970 -7.933 397 HA2 GLY 56 HA2 GLY 56 -8.793 -3.270 -9.637 398 HA3 GLY 56 HA3 GLY 56 -8.767 -3.639 -7.917 399 H GLN 57 H GLN 57 -9.245 -5.475 -10.091 400 HA GLN 57 HA GLN 57 -11.986 -6.105 -10.427 401 HB2 GLN 57 HB2 GLN 57 -9.482 -7.781 -10.660 402 HB3 GLN 57 HB3 GLN 57 -11.088 -8.373 -11.083 403 HG2 GLN 57 HG2 GLN 57 -11.348 -6.532 -12.701 404 HG3 GLN 57 HG3 GLN 57 -9.745 -5.932 -12.276 405 HE21 GLN 57 HE21 GLN 57 -8.575 -6.378 -14.190 406 HE22 GLN 57 HE22 GLN 57 -8.434 -7.928 -14.865 407 H LYS 58 H LYS 58 -9.570 -7.135 -8.067 408 HA LYS 58 HA LYS 58 -11.462 -8.903 -6.713 409 HB2 LYS 58 HB2 LYS 58 -8.588 -8.207 -6.042 410 HB3 LYS 58 HB3 LYS 58 -9.555 -9.443 -5.243 411 HG2 LYS 58 HG2 LYS 58 -8.946 -9.450 -8.217 412 HG3 LYS 58 HG3 LYS 58 -7.998 -10.334 -7.023 413 HD2 LYS 58 HD2 LYS 58 -10.046 -11.571 -6.342 414 HD3 LYS 58 HD3 LYS 58 -10.953 -10.725 -7.597 415 HE2 LYS 58 HE2 LYS 58 -9.454 -11.658 -9.318 416 HE3 LYS 58 HE3 LYS 58 -8.547 -12.510 -8.067 417 HZ1 LYS 58 HZ1 LYS 58 -10.855 -13.451 -7.450 418 HZ2 LYS 58 HZ2 LYS 58 -10.027 -14.101 -8.784 419 HZ3 LYS 58 HZ3 LYS 58 -11.291 -12.990 -9.024 420 H GLY 59 H GLY 59 -11.726 -5.878 -6.815 421 HA2 GLY 59 HA2 GLY 59 -13.044 -4.710 -5.141 422 HA3 GLY 59 HA3 GLY 59 -12.030 -5.449 -3.904 423 HA PRO 60 HA PRO 60 -10.347 -1.207 -5.300 424 HB2 PRO 60 HB2 PRO 60 -10.765 0.228 -3.013 425 HB3 PRO 60 HB3 PRO 60 -11.945 0.142 -4.337 426 HG2 PRO 60 HG2 PRO 60 -11.875 -1.369 -1.767 427 HG3 PRO 60 HG3 PRO 60 -13.245 -0.612 -2.594 428 HD2 PRO 60 HD2 PRO 60 -12.770 -3.287 -2.732 429 HD3 PRO 60 HD3 PRO 60 -13.503 -2.384 -4.077 430 H CYS 61 H CYS 61 -8.334 -0.419 -4.763 431 HA CYS 61 HA CYS 61 -6.873 -1.855 -2.623 432 HB2 CYS 61 HB2 CYS 61 -6.250 -2.319 -5.059 433 HB3 CYS 61 HB3 CYS 61 -5.668 -0.657 -5.125 434 HG CYS 61 HG CYS 61 -3.605 -1.425 -4.009 435 H ALA 62 H ALA 62 -4.948 -0.568 -1.795 436 HA ALA 62 HA ALA 62 -5.529 2.329 -1.756 437 HB1 ALA 62 HB1 ALA 62 -4.354 1.895 0.675 438 HB2 ALA 62 HB2 ALA 62 -5.268 0.402 0.473 439 HB3 ALA 62 HB3 ALA 62 -6.098 1.955 0.418 440 H ASN 63 H ASN 63 -3.755 3.663 -1.960 441 HA ASN 63 HA ASN 63 -1.079 2.416 -1.955 442 HB2 ASN 63 HB2 ASN 63 -0.511 3.668 -4.014 443 HB3 ASN 63 HB3 ASN 63 -1.795 2.492 -4.285 444 HD21 ASN 63 HD21 ASN 63 -3.209 3.440 -5.769 445 HD22 ASN 63 HD22 ASN 63 -3.812 5.022 -5.650 446 H LYS 64 H LYS 64 0.588 4.370 -2.377 447 HA LYS 64 HA LYS 64 1.617 6.182 -1.410 448 HB2 LYS 64 HB2 LYS 64 -1.218 7.258 -1.267 449 HB3 LYS 64 HB3 LYS 64 0.248 8.211 -1.063 450 HG2 LYS 64 HG2 LYS 64 -0.357 6.615 -3.570 451 HG3 LYS 64 HG3 LYS 64 -0.788 8.312 -3.383 452 HD2 LYS 64 HD2 LYS 64 1.598 8.864 -2.979 453 HD3 LYS 64 HD3 LYS 64 2.018 7.167 -3.214 454 HE2 LYS 64 HE2 LYS 64 2.401 8.390 -5.294 455 HE3 LYS 64 HE3 LYS 64 1.048 7.277 -5.507 456 HZ1 LYS 64 HZ1 LYS 64 -0.481 8.986 -5.442 457 HZ2 LYS 64 HZ2 LYS 64 0.805 9.700 -6.291 458 HZ3 LYS 64 HZ3 LYS 64 0.569 10.054 -4.647 459 H VAL 65 H VAL 65 1.433 4.133 0.232 460 HA VAL 65 HA VAL 65 0.043 4.635 2.683 461 HB VAL 65 HB VAL 65 2.364 2.765 2.098 462 HG11 VAL 65 HG11 VAL 65 0.348 2.731 4.369 463 HG12 VAL 65 HG12 VAL 65 2.036 3.222 4.521 464 HG13 VAL 65 HG13 VAL 65 1.636 1.554 4.104 465 HG21 VAL 65 HG21 VAL 65 0.173 2.493 0.764 466 HG22 VAL 65 HG22 VAL 65 -0.567 2.036 2.297 467 HG23 VAL 65 HG23 VAL 65 0.761 1.079 1.638 468 H VAL 66 H VAL 66 0.554 6.129 4.086 469 HA VAL 66 HA VAL 66 3.408 6.822 4.530 470 HB VAL 66 HB VAL 66 1.019 8.694 4.704 471 HG11 VAL 66 HG11 VAL 66 2.750 9.264 6.348 472 HG12 VAL 66 HG12 VAL 66 2.748 10.448 5.041 473 HG13 VAL 66 HG13 VAL 66 3.988 9.195 5.094 474 HG21 VAL 66 HG21 VAL 66 3.290 8.463 2.706 475 HG22 VAL 66 HG22 VAL 66 2.196 9.843 2.795 476 HG23 VAL 66 HG23 VAL 66 1.571 8.245 2.384 477 H ALA 67 H ALA 67 4.083 6.282 6.500 478 HA ALA 67 HA ALA 67 2.289 5.351 8.528 479 HB1 ALA 67 HB1 ALA 67 4.488 4.360 8.327 480 HB2 ALA 67 HB2 ALA 67 4.369 5.159 9.895 481 HB3 ALA 67 HB3 ALA 67 5.260 5.926 8.580 482 H VAL 68 H VAL 68 1.489 6.355 10.272 483 HA VAL 68 HA VAL 68 2.580 8.902 11.182 484 HB VAL 68 HB VAL 68 0.380 10.047 11.071 485 HG11 VAL 68 HG11 VAL 68 2.141 10.284 9.290 486 HG12 VAL 68 HG12 VAL 68 0.502 10.590 8.720 487 HG13 VAL 68 HG13 VAL 68 1.288 9.054 8.356 488 HG21 VAL 68 HG21 VAL 68 -1.458 9.133 9.831 489 HG22 VAL 68 HG22 VAL 68 -0.934 7.855 10.926 490 HG23 VAL 68 HG23 VAL 68 -0.474 7.799 9.225 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -6.184 14.192 5.887 2 H2 MET 1 HT2 MET 1 -4.864 13.268 5.346 3 H3 MET 1 HT3 MET 1 -6.171 12.513 6.131 4 HA MET 1 HA MET 1 -7.614 13.348 4.257 5 HB2 MET 1 HB2 MET 1 -4.835 13.837 3.153 6 HB3 MET 1 HB3 MET 1 -6.272 13.714 2.138 7 HG2 MET 1 HG2 MET 1 -7.308 15.552 3.522 8 HG3 MET 1 HG3 MET 1 -5.747 15.751 4.317 9 HE1 MET 1 HE1 MET 1 -3.714 16.481 3.416 10 HE2 MET 1 HE2 MET 1 -3.363 17.073 1.793 11 HE3 MET 1 HE3 MET 1 -3.557 15.343 2.070 12 H SER 2 H SER 2 -8.418 11.354 4.043 13 HA SER 2 HA SER 2 -8.605 9.112 3.589 14 HB2 SER 2 HB2 SER 2 -7.745 10.178 1.360 15 HB3 SER 2 HB3 SER 2 -6.245 9.345 1.751 16 HG SER 2 HG SER 2 -7.344 7.824 0.696 17 H LYS 3 H LYS 3 -8.008 8.328 5.600 18 HA LYS 3 HA LYS 3 -5.601 6.735 5.657 19 HB2 LYS 3 HB2 LYS 3 -4.639 7.752 7.671 20 HB3 LYS 3 HB3 LYS 3 -4.700 8.913 6.349 21 HG2 LYS 3 HG2 LYS 3 -6.780 9.874 7.294 22 HG3 LYS 3 HG3 LYS 3 -6.690 8.726 8.631 23 HD2 LYS 3 HD2 LYS 3 -4.472 9.655 9.256 24 HD3 LYS 3 HD3 LYS 3 -4.625 10.842 7.960 25 HE2 LYS 3 HE2 LYS 3 -6.570 10.544 10.268 26 HE3 LYS 3 HE3 LYS 3 -5.304 11.768 10.170 27 HZ1 LYS 3 HZ1 LYS 3 -6.322 12.525 8.071 28 HZ2 LYS 3 HZ2 LYS 3 -7.353 12.702 9.409 29 HZ3 LYS 3 HZ3 LYS 3 -7.593 11.429 8.311 30 H GLY 4 H GLY 4 -5.655 5.121 7.228 31 HA2 GLY 4 HA2 GLY 4 -7.950 5.043 9.061 32 HA3 GLY 4 HA3 GLY 4 -7.784 3.747 7.880 33 H ILE 5 H ILE 5 -7.710 2.423 9.872 34 HA ILE 5 HA ILE 5 -4.974 2.345 11.009 35 HB ILE 5 HB ILE 5 -6.038 1.112 12.943 36 HG12 ILE 5 HG12 ILE 5 -8.639 2.301 11.941 37 HG13 ILE 5 HG13 ILE 5 -8.192 0.637 11.581 38 HG21 ILE 5 HG21 ILE 5 -6.896 3.964 12.372 39 HG22 ILE 5 HG22 ILE 5 -5.389 3.454 13.135 40 HG23 ILE 5 HG23 ILE 5 -6.926 3.211 13.967 41 HD11 ILE 5 HD11 ILE 5 -7.959 0.196 14.018 42 HD12 ILE 5 HD12 ILE 5 -9.591 0.709 13.595 43 HD13 ILE 5 HD13 ILE 5 -8.476 1.849 14.348 44 H VAL 6 H VAL 6 -3.802 0.620 10.625 45 HA VAL 6 HA VAL 6 -4.712 -1.371 8.830 46 HB VAL 6 HB VAL 6 -2.180 -1.281 10.490 47 HG11 VAL 6 HG11 VAL 6 -2.366 -3.525 9.754 48 HG12 VAL 6 HG12 VAL 6 -1.369 -2.762 8.516 49 HG13 VAL 6 HG13 VAL 6 -3.081 -3.052 8.214 50 HG21 VAL 6 HG21 VAL 6 -2.523 -0.586 7.563 51 HG22 VAL 6 HG22 VAL 6 -1.152 -0.226 8.613 52 HG23 VAL 6 HG23 VAL 6 -2.679 0.627 8.832 53 H LYS 7 H LYS 7 -5.809 -3.130 9.210 54 HA LYS 7 HA LYS 7 -6.566 -4.019 11.806 55 HB2 LYS 7 HB2 LYS 7 -7.930 -4.414 9.757 56 HB3 LYS 7 HB3 LYS 7 -6.689 -5.518 9.167 57 HG2 LYS 7 HG2 LYS 7 -7.027 -6.968 11.129 58 HG3 LYS 7 HG3 LYS 7 -8.253 -5.859 11.746 59 HD2 LYS 7 HD2 LYS 7 -9.620 -6.241 9.729 60 HD3 LYS 7 HD3 LYS 7 -8.396 -7.350 9.109 61 HE2 LYS 7 HE2 LYS 7 -8.718 -8.810 11.067 62 HE3 LYS 7 HE3 LYS 7 -9.934 -7.702 11.697 63 HZ1 LYS 7 HZ1 LYS 7 -10.177 -8.869 8.997 64 HZ2 LYS 7 HZ2 LYS 7 -11.390 -8.193 9.975 65 HZ3 LYS 7 HZ3 LYS 7 -10.727 -9.707 10.365 66 H TRP 8 H TRP 8 -4.261 -5.193 9.380 67 HA TRP 8 HA TRP 8 -2.472 -6.226 11.380 68 HB2 TRP 8 HB2 TRP 8 -4.351 -7.996 11.065 69 HB3 TRP 8 HB3 TRP 8 -3.613 -8.286 9.492 70 HD1 TRP 8 HD1 TRP 8 -0.971 -9.030 9.533 71 HE1 TRP 8 HE1 TRP 8 0.300 -10.449 11.270 72 HE3 TRP 8 HE3 TRP 8 -4.173 -8.657 13.492 73 HZ2 TRP 8 HZ2 TRP 8 -0.005 -11.319 13.978 74 HZ3 TRP 8 HZ3 TRP 8 -3.662 -9.793 15.634 75 HH2 TRP 8 HH2 TRP 8 -1.584 -11.122 15.883 76 H PHE 9 H PHE 9 -0.438 -6.046 10.567 77 HA PHE 9 HA PHE 9 -0.168 -5.903 7.606 78 HB2 PHE 9 HB2 PHE 9 0.370 -3.797 8.963 79 HB3 PHE 9 HB3 PHE 9 1.769 -4.683 9.576 80 HD1 PHE 9 HD1 PHE 9 0.321 -2.945 6.724 81 HD2 PHE 9 HD2 PHE 9 3.506 -5.542 7.976 82 HE1 PHE 9 HE1 PHE 9 1.547 -2.448 4.629 83 HE2 PHE 9 HE2 PHE 9 4.734 -5.039 5.879 84 HZ PHE 9 HZ PHE 9 3.756 -3.495 4.208 85 H ASN 10 H ASN 10 0.963 -7.492 6.674 86 HA ASN 10 HA ASN 10 2.919 -8.988 8.328 87 HB2 ASN 10 HB2 ASN 10 1.101 -10.055 6.156 88 HB3 ASN 10 HB3 ASN 10 2.353 -10.985 6.977 89 HD21 ASN 10 HD21 ASN 10 -0.822 -10.940 7.002 90 HD22 ASN 10 HD22 ASN 10 -1.163 -11.054 8.661 91 H SER 11 H SER 11 4.727 -7.831 7.645 92 HA SER 11 HA SER 11 5.338 -7.135 4.997 93 HB2 SER 11 HB2 SER 11 7.155 -7.672 7.355 94 HB3 SER 11 HB3 SER 11 7.673 -6.939 5.840 95 HG SER 11 HG SER 11 6.837 -5.131 6.483 96 H ASP 12 H ASP 12 6.042 -10.061 6.879 97 HA ASP 12 HA ASP 12 7.859 -11.285 5.122 98 HB2 ASP 12 HB2 ASP 12 5.811 -12.471 7.009 99 HB3 ASP 12 HB3 ASP 12 6.981 -13.447 6.124 100 H LYS 13 H LYS 13 4.315 -11.355 5.220 101 HA LYS 13 HA LYS 13 4.035 -13.060 2.922 102 HB2 LYS 13 HB2 LYS 13 2.095 -11.246 4.373 103 HB3 LYS 13 HB3 LYS 13 1.640 -12.289 3.027 104 HG2 LYS 13 HG2 LYS 13 2.426 -14.262 4.279 105 HG3 LYS 13 HG3 LYS 13 2.880 -13.222 5.632 106 HD2 LYS 13 HD2 LYS 13 0.524 -12.493 5.852 107 HD3 LYS 13 HD3 LYS 13 0.076 -13.560 4.517 108 HE2 LYS 13 HE2 LYS 13 1.362 -14.480 7.107 109 HE3 LYS 13 HE3 LYS 13 -0.359 -14.592 6.744 110 HZ1 LYS 13 HZ1 LYS 13 0.562 -15.774 4.607 111 HZ2 LYS 13 HZ2 LYS 13 0.325 -16.632 6.056 112 HZ3 LYS 13 HZ3 LYS 13 1.881 -16.102 5.622 113 H GLY 14 H GLY 14 4.354 -9.649 3.522 114 HA2 GLY 14 HA2 GLY 14 5.116 -8.054 1.957 115 HA3 GLY 14 HA3 GLY 14 4.602 -9.114 0.654 116 H PHE 15 H PHE 15 2.151 -8.887 2.986 117 HA PHE 15 HA PHE 15 0.976 -6.428 2.010 118 HB2 PHE 15 HB2 PHE 15 -1.058 -7.475 1.095 119 HB3 PHE 15 HB3 PHE 15 0.378 -7.912 0.174 120 HD1 PHE 15 HD1 PHE 15 -2.171 -9.109 2.564 121 HD2 PHE 15 HD2 PHE 15 1.240 -10.184 0.184 122 HE1 PHE 15 HE1 PHE 15 -2.682 -11.510 2.915 123 HE2 PHE 15 HE2 PHE 15 0.731 -12.585 0.538 124 HZ PHE 15 HZ PHE 15 -1.231 -13.249 1.904 125 H GLY 16 H GLY 16 -1.311 -6.181 2.879 126 HA2 GLY 16 HA2 GLY 16 -1.968 -7.631 5.288 127 HA3 GLY 16 HA3 GLY 16 -1.367 -6.003 5.588 128 H PHE 17 H PHE 17 -3.814 -6.383 6.453 129 HA PHE 17 HA PHE 17 -5.618 -5.225 4.404 130 HB2 PHE 17 HB2 PHE 17 -6.277 -6.948 6.810 131 HB3 PHE 17 HB3 PHE 17 -7.473 -6.173 5.774 132 HD1 PHE 17 HD1 PHE 17 -4.892 -8.800 5.980 133 HD2 PHE 17 HD2 PHE 17 -7.888 -6.963 3.511 134 HE1 PHE 17 HE1 PHE 17 -4.769 -10.714 4.407 135 HE2 PHE 17 HE2 PHE 17 -7.764 -8.875 1.939 136 HZ PHE 17 HZ PHE 17 -6.204 -10.750 2.386 137 H ILE 18 H ILE 18 -6.588 -3.292 4.885 138 HA ILE 18 HA ILE 18 -6.034 -2.188 7.563 139 HB ILE 18 HB ILE 18 -4.787 -1.034 5.786 140 HG12 ILE 18 HG12 ILE 18 -7.008 0.795 6.718 141 HG13 ILE 18 HG13 ILE 18 -5.804 0.158 7.838 142 HG21 ILE 18 HG21 ILE 18 -6.218 0.404 4.199 143 HG22 ILE 18 HG22 ILE 18 -7.556 -0.659 4.635 144 HG23 ILE 18 HG23 ILE 18 -6.126 -1.321 3.847 145 HD11 ILE 18 HD11 ILE 18 -5.048 1.606 5.289 146 HD12 ILE 18 HD12 ILE 18 -4.011 1.223 6.664 147 HD13 ILE 18 HD13 ILE 18 -5.275 2.443 6.824 148 H THR 19 H THR 19 -7.567 -1.006 8.623 149 HA THR 19 HA THR 19 -10.323 -1.553 7.791 150 HB THR 19 HB THR 19 -9.239 -0.770 10.500 151 HG1 THR 19 HG1 THR 19 -9.986 -3.261 9.375 152 HG21 THR 19 HG21 THR 19 -11.628 -0.187 10.122 153 HG22 THR 19 HG22 THR 19 -11.444 -1.467 11.322 154 HG23 THR 19 HG23 THR 19 -11.948 -1.863 9.679 155 HA PRO 20 HA PRO 20 -10.268 2.942 6.701 156 HB2 PRO 20 HB2 PRO 20 -13.146 2.208 6.295 157 HB3 PRO 20 HB3 PRO 20 -12.091 3.188 5.262 158 HG2 PRO 20 HG2 PRO 20 -12.640 0.732 4.564 159 HG3 PRO 20 HG3 PRO 20 -10.977 1.329 4.427 160 HD2 PRO 20 HD2 PRO 20 -12.155 -0.490 6.507 161 HD3 PRO 20 HD3 PRO 20 -10.556 -0.553 5.727 162 H GLU 21 H GLU 21 -10.538 4.568 8.155 163 HA GLU 21 HA GLU 21 -11.684 4.160 10.706 164 HB2 GLU 21 HB2 GLU 21 -11.325 6.570 11.045 165 HB3 GLU 21 HB3 GLU 21 -9.913 5.813 10.310 166 HG2 GLU 21 HG2 GLU 21 -10.690 6.583 8.075 167 HG3 GLU 21 HG3 GLU 21 -12.056 7.384 8.840 168 H ASP 22 H ASP 22 -13.012 5.370 7.711 169 HA ASP 22 HA ASP 22 -15.369 6.567 8.796 170 HB2 ASP 22 HB2 ASP 22 -14.649 5.588 6.031 171 HB3 ASP 22 HB3 ASP 22 -16.188 6.355 6.404 172 H GLY 23 H GLY 23 -14.442 3.297 8.205 173 HA2 GLY 23 HA2 GLY 23 -15.703 1.481 9.160 174 HA3 GLY 23 HA3 GLY 23 -17.177 2.388 8.844 175 H SER 24 H SER 24 -15.032 2.620 6.234 176 HA SER 24 HA SER 24 -16.726 1.123 4.491 177 HB2 SER 24 HB2 SER 24 -14.003 2.363 4.047 178 HB3 SER 24 HB3 SER 24 -15.012 1.679 2.782 179 HG SER 24 HG SER 24 -15.305 4.019 4.257 180 H LYS 25 H LYS 25 -15.877 -0.564 3.041 181 HA LYS 25 HA LYS 25 -15.023 -2.835 4.436 182 HB2 LYS 25 HB2 LYS 25 -16.322 -2.872 2.315 183 HB3 LYS 25 HB3 LYS 25 -14.887 -2.328 1.451 184 HG2 LYS 25 HG2 LYS 25 -14.994 -4.719 1.191 185 HG3 LYS 25 HG3 LYS 25 -13.694 -4.389 2.333 186 HD2 LYS 25 HD2 LYS 25 -15.169 -4.909 4.217 187 HD3 LYS 25 HD3 LYS 25 -16.526 -5.148 3.116 188 HE2 LYS 25 HE2 LYS 25 -15.326 -7.013 2.036 189 HE3 LYS 25 HE3 LYS 25 -13.965 -6.775 3.134 190 HZ1 LYS 25 HZ1 LYS 25 -16.648 -7.153 4.261 191 HZ2 LYS 25 HZ2 LYS 25 -15.134 -7.570 4.910 192 HZ3 LYS 25 HZ3 LYS 25 -15.817 -8.509 3.671 193 H ASP 26 H ASP 26 -13.078 -3.876 4.653 194 HA ASP 26 HA ASP 26 -10.730 -2.426 4.851 195 HB2 ASP 26 HB2 ASP 26 -11.061 -5.396 4.393 196 HB3 ASP 26 HB3 ASP 26 -9.591 -4.615 4.971 197 H LEU 27 H LEU 27 -8.954 -2.107 3.594 198 HA LEU 27 HA LEU 27 -9.227 -2.761 0.719 199 HB2 LEU 27 HB2 LEU 27 -7.779 -0.443 2.028 200 HB3 LEU 27 HB3 LEU 27 -7.857 -0.753 0.297 201 HG LEU 27 HG LEU 27 -10.308 -0.311 2.036 202 HD11 LEU 27 HD11 LEU 27 -8.739 1.613 0.292 203 HD12 LEU 27 HD12 LEU 27 -8.995 1.732 2.034 204 HD13 LEU 27 HD13 LEU 27 -10.352 1.946 0.924 205 HD21 LEU 27 HD21 LEU 27 -9.845 -0.401 -0.965 206 HD22 LEU 27 HD22 LEU 27 -11.347 0.150 -0.221 207 HD23 LEU 27 HD23 LEU 27 -10.819 -1.519 -0.010 208 H PHE 28 H PHE 28 -7.401 -3.447 -0.427 209 HA PHE 28 HA PHE 28 -5.460 -4.934 1.116 210 HB2 PHE 28 HB2 PHE 28 -5.845 -4.487 -1.853 211 HB3 PHE 28 HB3 PHE 28 -4.541 -5.473 -1.185 212 HD1 PHE 28 HD1 PHE 28 -8.204 -5.171 -1.592 213 HD2 PHE 28 HD2 PHE 28 -4.980 -7.633 -0.183 214 HE1 PHE 28 HE1 PHE 28 -9.755 -7.097 -1.410 215 HE2 PHE 28 HE2 PHE 28 -6.530 -9.559 0.000 216 HZ PHE 28 HZ PHE 28 -8.916 -9.292 -0.613 217 H VAL 29 H VAL 29 -3.421 -4.343 1.619 218 HA VAL 29 HA VAL 29 -2.258 -1.969 0.306 219 HB VAL 29 HB VAL 29 -2.294 -2.542 3.282 220 HG11 VAL 29 HG11 VAL 29 -0.176 -1.537 2.772 221 HG12 VAL 29 HG12 VAL 29 -1.203 -0.239 3.380 222 HG13 VAL 29 HG13 VAL 29 -0.921 -0.403 1.649 223 HG21 VAL 29 HG21 VAL 29 -4.393 -1.582 2.165 224 HG22 VAL 29 HG22 VAL 29 -3.427 -0.146 1.829 225 HG23 VAL 29 HG23 VAL 29 -3.717 -0.643 3.496 226 H HIS 30 H HIS 30 -0.162 -2.215 -0.293 227 HA HIS 30 HA HIS 30 1.202 -4.711 0.520 228 HB2 HIS 30 HB2 HIS 30 1.571 -3.009 -1.958 229 HB3 HIS 30 HB3 HIS 30 2.522 -4.441 -1.566 230 HD2 HIS 30 HD2 HIS 30 -0.745 -3.592 -3.353 231 HE1 HIS 30 HE1 HIS 30 -0.972 -7.707 -2.433 232 HE2 HIS 30 HE2 HIS 30 -2.036 -5.826 -3.767 233 H HIS 31 H HIS 31 3.302 -4.682 1.191 234 HA HIS 31 HA HIS 31 4.216 -2.426 2.648 235 HB2 HIS 31 HB2 HIS 31 4.808 -4.811 3.165 236 HB3 HIS 31 HB3 HIS 31 5.853 -4.814 1.745 237 HD2 HIS 31 HD2 HIS 31 5.872 -3.473 5.411 238 HE1 HIS 31 HE1 HIS 31 9.479 -2.249 3.594 239 HE2 HIS 31 HE2 HIS 31 8.215 -2.390 5.792 240 H SER 32 H SER 32 5.309 -3.826 -0.433 241 HA SER 32 HA SER 32 7.399 -1.982 -0.911 242 HB2 SER 32 HB2 SER 32 5.811 -3.712 -2.807 243 HB3 SER 32 HB3 SER 32 7.244 -2.797 -3.272 244 HG SER 32 HG SER 32 7.144 -4.673 -1.140 245 H GLU 33 H GLU 33 4.006 -1.568 -1.188 246 HA GLU 33 HA GLU 33 3.929 0.297 -3.333 247 HB2 GLU 33 HB2 GLU 33 1.979 -1.015 -2.433 248 HB3 GLU 33 HB3 GLU 33 1.965 0.078 -1.052 249 HG2 GLU 33 HG2 GLU 33 0.356 0.845 -2.719 250 HG3 GLU 33 HG3 GLU 33 1.678 2.002 -2.600 251 H ILE 34 H ILE 34 4.705 0.657 0.066 252 HA ILE 34 HA ILE 34 4.067 3.313 0.538 253 HB ILE 34 HB ILE 34 5.818 3.370 2.223 254 HG12 ILE 34 HG12 ILE 34 6.859 0.749 1.093 255 HG13 ILE 34 HG13 ILE 34 7.597 2.301 0.753 256 HG21 ILE 34 HG21 ILE 34 5.306 1.090 3.340 257 HG22 ILE 34 HG22 ILE 34 4.298 0.780 1.929 258 HG23 ILE 34 HG23 ILE 34 3.947 2.154 2.977 259 HD11 ILE 34 HD11 ILE 34 7.375 0.901 3.420 260 HD12 ILE 34 HD12 ILE 34 7.757 2.619 3.292 261 HD13 ILE 34 HD13 ILE 34 8.837 1.420 2.579 262 H GLN 35 H GLN 35 4.930 5.288 0.078 263 HA GLN 35 HA GLN 35 7.247 5.352 -1.769 264 HB2 GLN 35 HB2 GLN 35 4.695 6.965 -1.856 265 HB3 GLN 35 HB3 GLN 35 6.138 7.388 -2.777 266 HG2 GLN 35 HG2 GLN 35 6.087 5.271 -3.952 267 HG3 GLN 35 HG3 GLN 35 4.782 4.682 -2.928 268 HE21 GLN 35 HE21 GLN 35 4.805 5.087 -5.917 269 HE22 GLN 35 HE22 GLN 35 3.510 6.136 -6.234 270 H SER 36 H SER 36 6.830 5.832 1.269 271 HA SER 36 HA SER 36 7.256 8.567 1.823 272 HB2 SER 36 HB2 SER 36 8.035 7.799 4.013 273 HB3 SER 36 HB3 SER 36 6.588 6.920 3.531 274 HG SER 36 HG SER 36 8.770 5.844 4.291 275 H GLY 37 H GLY 37 9.483 5.932 1.059 276 HA2 GLY 37 HA2 GLY 37 11.652 6.007 0.256 277 HA3 GLY 37 HA3 GLY 37 11.537 7.764 0.225 278 H GLY 38 H GLY 38 13.814 7.513 1.012 279 HA2 GLY 38 HA2 GLY 38 15.384 7.722 2.679 280 HA3 GLY 38 HA3 GLY 38 14.047 8.217 3.714 281 H GLU 39 H GLU 39 14.157 7.087 5.537 282 HA GLU 39 HA GLU 39 15.319 4.498 5.779 283 HB2 GLU 39 HB2 GLU 39 13.553 6.089 7.655 284 HB3 GLU 39 HB3 GLU 39 14.329 4.564 8.085 285 HG2 GLU 39 HG2 GLU 39 15.844 6.187 8.874 286 HG3 GLU 39 HG3 GLU 39 16.535 5.701 7.330 287 H TYR 40 H TYR 40 14.291 2.515 6.292 288 HA TYR 40 HA TYR 40 11.980 1.944 4.729 289 HB2 TYR 40 HB2 TYR 40 13.416 0.315 6.835 290 HB3 TYR 40 HB3 TYR 40 12.123 -0.307 5.812 291 HD1 TYR 40 HD1 TYR 40 15.620 0.813 5.915 292 HD2 TYR 40 HD2 TYR 40 12.438 -0.583 3.390 293 HE1 TYR 40 HE1 TYR 40 17.252 0.380 4.099 294 HE2 TYR 40 HE2 TYR 40 14.070 -1.016 1.573 295 HH TYR 40 HH TYR 40 16.390 -1.371 1.234 296 H ALA 41 H ALA 41 9.890 1.527 5.324 297 HA ALA 41 HA ALA 41 9.059 2.609 7.919 298 HB1 ALA 41 HB1 ALA 41 8.055 3.256 5.599 299 HB2 ALA 41 HB2 ALA 41 6.966 3.002 6.964 300 HB3 ALA 41 HB3 ALA 41 7.173 1.737 5.752 301 H THR 42 H THR 42 8.020 1.445 9.449 302 HA THR 42 HA THR 42 7.773 -1.468 8.998 303 HB THR 42 HB THR 42 9.413 -0.923 10.728 304 HG1 THR 42 HG1 THR 42 8.616 -2.324 12.153 305 HG21 THR 42 HG21 THR 42 8.607 1.272 11.424 306 HG22 THR 42 HG22 THR 42 8.660 0.203 12.827 307 HG23 THR 42 HG23 THR 42 7.119 0.559 12.047 308 H LEU 43 H LEU 43 5.892 -2.521 9.561 309 HA LEU 43 HA LEU 43 3.680 -0.944 10.672 310 HB2 LEU 43 HB2 LEU 43 3.590 -2.434 8.048 311 HB3 LEU 43 HB3 LEU 43 2.152 -1.935 8.927 312 HG LEU 43 HG LEU 43 3.433 0.445 8.884 313 HD11 LEU 43 HD11 LEU 43 5.330 -0.784 7.551 314 HD12 LEU 43 HD12 LEU 43 4.804 0.808 7.014 315 HD13 LEU 43 HD13 LEU 43 4.234 -0.638 6.181 316 HD21 LEU 43 HD21 LEU 43 2.186 0.890 6.683 317 HD22 LEU 43 HD22 LEU 43 1.218 0.252 8.013 318 HD23 LEU 43 HD23 LEU 43 1.741 -0.818 6.711 319 H ALA 44 H ALA 44 2.090 -2.179 11.694 320 HA ALA 44 HA ALA 44 2.407 -5.084 11.836 321 HB1 ALA 44 HB1 ALA 44 2.758 -5.162 14.183 322 HB2 ALA 44 HB2 ALA 44 2.351 -3.458 14.383 323 HB3 ALA 44 HB3 ALA 44 3.868 -3.916 13.608 324 H ASP 45 H ASP 45 0.640 -5.187 14.250 325 HA ASP 45 HA ASP 45 -1.896 -4.843 12.874 326 HB2 ASP 45 HB2 ASP 45 -1.427 -6.897 14.158 327 HB3 ASP 45 HB3 ASP 45 -1.238 -5.942 15.621 328 H GLY 46 H GLY 46 -2.802 -2.860 12.905 329 HA2 GLY 46 HA2 GLY 46 -4.126 -1.281 14.141 330 HA3 GLY 46 HA3 GLY 46 -3.030 -1.477 15.500 331 H GLN 47 H GLN 47 -1.101 -1.274 12.801 332 HA GLN 47 HA GLN 47 -0.033 1.251 13.443 333 HB2 GLN 47 HB2 GLN 47 1.160 -0.576 12.222 334 HB3 GLN 47 HB3 GLN 47 0.171 -0.229 10.807 335 HG2 GLN 47 HG2 GLN 47 2.329 0.910 10.607 336 HG3 GLN 47 HG3 GLN 47 1.046 2.092 10.790 337 HE21 GLN 47 HE21 GLN 47 1.736 3.752 12.149 338 HE22 GLN 47 HE22 GLN 47 2.689 3.541 13.537 339 H THR 48 H THR 48 -0.607 3.262 12.904 340 HA THR 48 HA THR 48 -2.956 3.686 11.220 341 HB THR 48 HB THR 48 -1.274 5.670 12.791 342 HG1 THR 48 HG1 THR 48 -2.622 5.296 14.413 343 HG21 THR 48 HG21 THR 48 -2.615 6.686 10.964 344 HG22 THR 48 HG22 THR 48 -3.224 7.148 12.553 345 HG23 THR 48 HG23 THR 48 -4.062 5.913 11.614 346 H VAL 49 H VAL 49 -2.854 4.293 9.139 347 HA VAL 49 HA VAL 49 -0.418 5.621 8.143 348 HB VAL 49 HB VAL 49 -0.341 4.130 6.169 349 HG11 VAL 49 HG11 VAL 49 0.997 3.763 8.311 350 HG12 VAL 49 HG12 VAL 49 0.806 2.354 7.270 351 HG13 VAL 49 HG13 VAL 49 -0.181 2.516 8.722 352 HG21 VAL 49 HG21 VAL 49 -2.694 3.347 6.226 353 HG22 VAL 49 HG22 VAL 49 -2.366 2.481 7.727 354 HG23 VAL 49 HG23 VAL 49 -1.572 1.988 6.232 355 H GLU 50 H GLU 50 -0.679 6.429 5.908 356 HA GLU 50 HA GLU 50 -3.457 7.354 5.431 357 HB2 GLU 50 HB2 GLU 50 -0.883 8.697 4.546 358 HB3 GLU 50 HB3 GLU 50 -2.513 9.321 4.343 359 HG2 GLU 50 HG2 GLU 50 -2.763 9.409 6.817 360 HG3 GLU 50 HG3 GLU 50 -1.102 8.851 6.987 361 H TYR 51 H TYR 51 -4.296 7.016 3.386 362 HA TYR 51 HA TYR 51 -2.592 6.087 1.217 363 HB2 TYR 51 HB2 TYR 51 -3.814 3.964 0.916 364 HB3 TYR 51 HB3 TYR 51 -2.953 4.006 2.448 365 HD1 TYR 51 HD1 TYR 51 -6.261 4.099 0.832 366 HD2 TYR 51 HD2 TYR 51 -4.159 4.191 4.575 367 HE1 TYR 51 HE1 TYR 51 -8.387 3.687 2.036 368 HE2 TYR 51 HE2 TYR 51 -6.286 3.777 5.779 369 HH TYR 51 HH TYR 51 -9.207 4.256 4.570 370 H GLU 52 H GLU 52 -3.804 5.644 -0.770 371 HA GLU 52 HA GLU 52 -6.321 7.194 -0.937 372 HB2 GLU 52 HB2 GLU 52 -4.036 7.055 -2.919 373 HB3 GLU 52 HB3 GLU 52 -5.612 7.763 -3.278 374 HG2 GLU 52 HG2 GLU 52 -5.325 9.363 -1.429 375 HG3 GLU 52 HG3 GLU 52 -3.764 8.651 -1.041 376 H VAL 53 H VAL 53 -7.985 6.206 -1.926 377 HA VAL 53 HA VAL 53 -7.947 3.411 -2.336 378 HB VAL 53 HB VAL 53 -9.966 4.693 -1.696 379 HG11 VAL 53 HG11 VAL 53 -10.110 5.617 -4.574 380 HG12 VAL 53 HG12 VAL 53 -9.457 6.624 -3.281 381 HG13 VAL 53 HG13 VAL 53 -11.140 6.101 -3.226 382 HG21 VAL 53 HG21 VAL 53 -11.535 3.433 -3.011 383 HG22 VAL 53 HG22 VAL 53 -10.082 2.442 -2.869 384 HG23 VAL 53 HG23 VAL 53 -10.408 3.322 -4.363 385 H GLY 54 H GLY 54 -8.197 2.196 -4.214 386 HA2 GLY 54 HA2 GLY 54 -7.668 3.434 -6.818 387 HA3 GLY 54 HA3 GLY 54 -6.518 2.226 -6.241 388 H GLN 55 H GLN 55 -7.831 1.661 -8.575 389 HA GLN 55 HA GLN 55 -9.989 -0.208 -7.801 390 HB2 GLN 55 HB2 GLN 55 -10.703 -0.106 -10.163 391 HB3 GLN 55 HB3 GLN 55 -10.707 1.487 -9.406 392 HG2 GLN 55 HG2 GLN 55 -8.472 1.939 -10.410 393 HG3 GLN 55 HG3 GLN 55 -8.544 0.376 -11.223 394 HE21 GLN 55 HE21 GLN 55 -9.046 3.593 -11.817 395 HE22 GLN 55 HE22 GLN 55 -10.227 3.478 -13.030 396 H GLY 56 H GLY 56 -10.029 -2.306 -8.622 397 HA2 GLY 56 HA2 GLY 56 -7.905 -3.369 -10.251 398 HA3 GLY 56 HA3 GLY 56 -7.758 -3.827 -8.557 399 H GLN 57 H GLN 57 -8.111 -5.742 -10.514 400 HA GLN 57 HA GLN 57 -10.791 -6.516 -10.998 401 HB2 GLN 57 HB2 GLN 57 -8.210 -8.083 -10.959 402 HB3 GLN 57 HB3 GLN 57 -9.756 -8.774 -11.449 403 HG2 GLN 57 HG2 GLN 57 -9.982 -7.048 -13.192 404 HG3 GLN 57 HG3 GLN 57 -8.444 -6.346 -12.699 405 HE21 GLN 57 HE21 GLN 57 -7.125 -6.845 -14.502 406 HE22 GLN 57 HE22 GLN 57 -6.865 -8.423 -15.069 407 H LYS 58 H LYS 58 -8.512 -7.304 -8.414 408 HA LYS 58 HA LYS 58 -10.425 -9.088 -7.117 409 HB2 LYS 58 HB2 LYS 58 -7.611 -8.250 -6.391 410 HB3 LYS 58 HB3 LYS 58 -8.587 -9.376 -5.444 411 HG2 LYS 58 HG2 LYS 58 -8.796 -10.853 -7.413 412 HG3 LYS 58 HG3 LYS 58 -7.811 -9.734 -8.354 413 HD2 LYS 58 HD2 LYS 58 -5.938 -10.058 -6.773 414 HD3 LYS 58 HD3 LYS 58 -6.920 -11.199 -5.853 415 HE2 LYS 58 HE2 LYS 58 -6.171 -11.526 -8.775 416 HE3 LYS 58 HE3 LYS 58 -5.373 -12.345 -7.433 417 HZ1 LYS 58 HZ1 LYS 58 -6.995 -13.814 -8.303 418 HZ2 LYS 58 HZ2 LYS 58 -8.200 -12.616 -8.283 419 HZ3 LYS 58 HZ3 LYS 58 -7.599 -13.245 -6.823 420 H GLY 59 H GLY 59 -10.790 -6.065 -7.373 421 HA2 GLY 59 HA2 GLY 59 -12.262 -4.856 -5.890 422 HA3 GLY 59 HA3 GLY 59 -11.418 -5.584 -4.525 423 HA PRO 60 HA PRO 60 -9.570 -1.353 -5.666 424 HB2 PRO 60 HB2 PRO 60 -10.245 0.074 -3.450 425 HB3 PRO 60 HB3 PRO 60 -11.303 -0.051 -4.870 426 HG2 PRO 60 HG2 PRO 60 -11.402 -1.567 -2.303 427 HG3 PRO 60 HG3 PRO 60 -12.720 -0.816 -3.218 428 HD2 PRO 60 HD2 PRO 60 -12.204 -3.483 -3.357 429 HD3 PRO 60 HD3 PRO 60 -12.838 -2.571 -4.746 430 H CYS 61 H CYS 61 -7.659 -0.512 -4.868 431 HA CYS 61 HA CYS 61 -6.458 -1.896 -2.543 432 HB2 CYS 61 HB2 CYS 61 -5.098 -0.992 -5.094 433 HB3 CYS 61 HB3 CYS 61 -4.293 -1.732 -3.710 434 HG CYS 61 HG CYS 61 -6.043 -3.213 -5.769 435 H ALA 62 H ALA 62 -4.384 -0.555 -1.856 436 HA ALA 62 HA ALA 62 -5.085 2.316 -1.851 437 HB1 ALA 62 HB1 ALA 62 -5.545 2.063 0.343 438 HB2 ALA 62 HB2 ALA 62 -3.806 1.894 0.572 439 HB3 ALA 62 HB3 ALA 62 -4.819 0.461 0.401 440 H ASN 63 H ASN 63 -3.392 3.719 -2.123 441 HA ASN 63 HA ASN 63 -0.667 2.580 -2.238 442 HB2 ASN 63 HB2 ASN 63 -0.221 4.021 -4.203 443 HB3 ASN 63 HB3 ASN 63 -1.468 2.819 -4.527 444 HD21 ASN 63 HD21 ASN 63 -2.966 3.828 -5.882 445 HD22 ASN 63 HD22 ASN 63 -3.625 5.370 -5.610 446 H LYS 64 H LYS 64 0.950 4.565 -2.495 447 HA LYS 64 HA LYS 64 1.960 6.309 -1.376 448 HB2 LYS 64 HB2 LYS 64 -0.897 7.326 -1.315 449 HB3 LYS 64 HB3 LYS 64 0.515 8.285 -0.874 450 HG2 LYS 64 HG2 LYS 64 1.450 7.946 -3.134 451 HG3 LYS 64 HG3 LYS 64 0.037 6.988 -3.576 452 HD2 LYS 64 HD2 LYS 64 -1.417 8.938 -3.151 453 HD3 LYS 64 HD3 LYS 64 -0.002 9.897 -2.718 454 HE2 LYS 64 HE2 LYS 64 0.927 9.556 -4.978 455 HE3 LYS 64 HE3 LYS 64 -0.482 8.591 -5.414 456 HZ1 LYS 64 HZ1 LYS 64 -1.082 10.647 -6.178 457 HZ2 LYS 64 HZ2 LYS 64 -0.285 11.480 -4.929 458 HZ3 LYS 64 HZ3 LYS 64 -1.760 10.689 -4.624 459 H VAL 65 H VAL 65 1.627 4.110 0.096 460 HA VAL 65 HA VAL 65 0.248 4.596 2.577 461 HB VAL 65 HB VAL 65 2.232 2.434 1.805 462 HG11 VAL 65 HG11 VAL 65 0.253 2.550 4.106 463 HG12 VAL 65 HG12 VAL 65 2.003 2.705 4.256 464 HG13 VAL 65 HG13 VAL 65 1.297 1.185 3.709 465 HG21 VAL 65 HG21 VAL 65 -0.017 2.666 0.508 466 HG22 VAL 65 HG22 VAL 65 -0.767 2.111 2.003 467 HG23 VAL 65 HG23 VAL 65 0.407 1.092 1.171 468 H VAL 66 H VAL 66 0.970 5.806 4.136 469 HA VAL 66 HA VAL 66 3.875 5.872 4.709 470 HB VAL 66 HB VAL 66 3.751 8.280 5.249 471 HG11 VAL 66 HG11 VAL 66 3.689 9.074 2.928 472 HG12 VAL 66 HG12 VAL 66 2.837 7.612 2.435 473 HG13 VAL 66 HG13 VAL 66 4.498 7.508 3.015 474 HG21 VAL 66 HG21 VAL 66 1.223 8.230 5.631 475 HG22 VAL 66 HG22 VAL 66 1.054 8.266 3.876 476 HG23 VAL 66 HG23 VAL 66 1.837 9.608 4.714 477 H ALA 67 H ALA 67 4.423 6.374 6.897 478 HA ALA 67 HA ALA 67 2.568 5.200 8.777 479 HB1 ALA 67 HB1 ALA 67 4.987 4.705 8.865 480 HB2 ALA 67 HB2 ALA 67 4.405 5.397 10.377 481 HB3 ALA 67 HB3 ALA 67 5.311 6.398 9.241 482 H VAL 68 H VAL 68 1.215 6.228 10.067 483 HA VAL 68 HA VAL 68 0.090 7.889 11.184 484 HB VAL 68 HB VAL 68 2.784 9.293 11.248 485 HG11 VAL 68 HG11 VAL 68 0.232 9.589 12.859 486 HG12 VAL 68 HG12 VAL 68 1.043 10.822 11.892 487 HG13 VAL 68 HG13 VAL 68 1.784 10.248 13.386 488 HG21 VAL 68 HG21 VAL 68 3.043 7.092 12.223 489 HG22 VAL 68 HG22 VAL 68 1.526 7.250 13.107 490 HG23 VAL 68 HG23 VAL 68 2.912 8.246 13.551 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -6.286 14.233 3.577 2 H2 MET 1 HT2 MET 1 -7.152 13.850 2.166 3 H3 MET 1 HT3 MET 1 -5.676 14.686 2.061 4 HA MET 1 HA MET 1 -5.519 12.299 1.467 5 HB2 MET 1 HB2 MET 1 -3.661 13.811 2.509 6 HB3 MET 1 HB3 MET 1 -3.942 12.873 3.975 7 HG2 MET 1 HG2 MET 1 -2.146 11.810 2.752 8 HG3 MET 1 HG3 MET 1 -3.571 10.782 2.616 9 HE1 MET 1 HE1 MET 1 -1.121 10.454 0.586 10 HE2 MET 1 HE2 MET 1 -2.137 10.109 -0.812 11 HE3 MET 1 HE3 MET 1 -2.612 9.520 0.778 12 H SER 2 H SER 2 -6.818 10.614 1.828 13 HA SER 2 HA SER 2 -8.133 10.067 4.288 14 HB2 SER 2 HB2 SER 2 -7.665 8.306 1.872 15 HB3 SER 2 HB3 SER 2 -8.757 7.922 3.200 16 HG SER 2 HG SER 2 -10.159 9.233 2.360 17 H LYS 3 H LYS 3 -7.780 8.435 5.803 18 HA LYS 3 HA LYS 3 -5.504 6.682 5.656 19 HB2 LYS 3 HB2 LYS 3 -4.309 7.597 7.610 20 HB3 LYS 3 HB3 LYS 3 -4.347 8.755 6.285 21 HG2 LYS 3 HG2 LYS 3 -6.272 9.896 7.360 22 HG3 LYS 3 HG3 LYS 3 -6.179 8.750 8.699 23 HD2 LYS 3 HD2 LYS 3 -3.913 9.506 9.232 24 HD3 LYS 3 HD3 LYS 3 -3.931 10.598 7.848 25 HE2 LYS 3 HE2 LYS 3 -4.442 11.854 9.883 26 HE3 LYS 3 HE3 LYS 3 -5.873 11.791 8.855 27 HZ1 LYS 3 HZ1 LYS 3 -5.428 9.763 10.951 28 HZ2 LYS 3 HZ2 LYS 3 -6.885 10.231 10.211 29 HZ3 LYS 3 HZ3 LYS 3 -6.129 11.260 11.332 30 H GLY 4 H GLY 4 -5.596 5.022 7.140 31 HA2 GLY 4 HA2 GLY 4 -7.774 5.088 9.126 32 HA3 GLY 4 HA3 GLY 4 -7.677 3.763 7.970 33 H ILE 5 H ILE 5 -7.572 2.473 9.968 34 HA ILE 5 HA ILE 5 -4.811 2.350 11.044 35 HB ILE 5 HB ILE 5 -5.894 1.154 13.016 36 HG12 ILE 5 HG12 ILE 5 -8.441 2.517 12.102 37 HG13 ILE 5 HG13 ILE 5 -8.105 0.844 11.671 38 HG21 ILE 5 HG21 ILE 5 -6.466 4.062 12.406 39 HG22 ILE 5 HG22 ILE 5 -5.109 3.395 13.313 40 HG23 ILE 5 HG23 ILE 5 -6.734 3.349 13.996 41 HD11 ILE 5 HD11 ILE 5 -9.416 0.845 13.710 42 HD12 ILE 5 HD12 ILE 5 -8.319 2.002 14.465 43 HD13 ILE 5 HD13 ILE 5 -7.773 0.360 14.126 44 H VAL 6 H VAL 6 -3.690 0.602 10.648 45 HA VAL 6 HA VAL 6 -4.692 -1.432 8.943 46 HB VAL 6 HB VAL 6 -2.095 -1.302 10.495 47 HG11 VAL 6 HG11 VAL 6 -1.341 -2.871 8.605 48 HG12 VAL 6 HG12 VAL 6 -3.054 -3.125 8.275 49 HG13 VAL 6 HG13 VAL 6 -2.380 -3.581 9.838 50 HG21 VAL 6 HG21 VAL 6 -1.142 -0.337 8.530 51 HG22 VAL 6 HG22 VAL 6 -2.646 0.544 8.795 52 HG23 VAL 6 HG23 VAL 6 -2.568 -0.713 7.561 53 H LYS 7 H LYS 7 -5.775 -3.174 9.411 54 HA LYS 7 HA LYS 7 -6.418 -4.009 12.062 55 HB2 LYS 7 HB2 LYS 7 -7.879 -4.419 10.077 56 HB3 LYS 7 HB3 LYS 7 -6.681 -5.562 9.465 57 HG2 LYS 7 HG2 LYS 7 -6.970 -6.979 11.437 58 HG3 LYS 7 HG3 LYS 7 -8.079 -5.810 12.149 59 HD2 LYS 7 HD2 LYS 7 -9.457 -7.503 11.175 60 HD3 LYS 7 HD3 LYS 7 -9.538 -6.128 10.077 61 HE2 LYS 7 HE2 LYS 7 -7.853 -7.157 8.621 62 HE3 LYS 7 HE3 LYS 7 -7.692 -8.512 9.738 63 HZ1 LYS 7 HZ1 LYS 7 -9.157 -9.196 8.038 64 HZ2 LYS 7 HZ2 LYS 7 -10.062 -7.762 8.127 65 HZ3 LYS 7 HZ3 LYS 7 -10.127 -8.892 9.395 66 H TRP 8 H TRP 8 -4.235 -5.205 9.545 67 HA TRP 8 HA TRP 8 -2.346 -6.219 11.449 68 HB2 TRP 8 HB2 TRP 8 -4.213 -8.016 11.278 69 HB3 TRP 8 HB3 TRP 8 -3.589 -8.310 9.655 70 HD1 TRP 8 HD1 TRP 8 -1.068 -9.215 9.452 71 HE1 TRP 8 HE1 TRP 8 0.405 -10.519 11.119 72 HE3 TRP 8 HE3 TRP 8 -3.668 -8.381 13.764 73 HZ2 TRP 8 HZ2 TRP 8 0.467 -11.133 13.910 74 HZ3 TRP 8 HZ3 TRP 8 -2.883 -9.339 15.911 75 HH2 TRP 8 HH2 TRP 8 -0.820 -10.713 15.990 76 H PHE 9 H PHE 9 -0.362 -6.089 10.519 77 HA PHE 9 HA PHE 9 -0.261 -5.857 7.557 78 HB2 PHE 9 HB2 PHE 9 0.463 -3.857 8.963 79 HB3 PHE 9 HB3 PHE 9 1.827 -4.843 9.491 80 HD1 PHE 9 HD1 PHE 9 0.365 -2.942 6.742 81 HD2 PHE 9 HD2 PHE 9 3.494 -5.682 7.825 82 HE1 PHE 9 HE1 PHE 9 1.562 -2.405 4.639 83 HE2 PHE 9 HE2 PHE 9 4.692 -5.139 5.720 84 HZ PHE 9 HZ PHE 9 3.725 -3.501 4.130 85 H ASN 10 H ASN 10 0.625 -7.542 6.519 86 HA ASN 10 HA ASN 10 2.566 -9.236 7.986 87 HB2 ASN 10 HB2 ASN 10 0.713 -10.009 5.719 88 HB3 ASN 10 HB3 ASN 10 1.849 -11.081 6.532 89 HD21 ASN 10 HD21 ASN 10 1.470 -11.358 8.963 90 HD22 ASN 10 HD22 ASN 10 -0.133 -11.311 9.517 91 H SER 11 H SER 11 4.354 -7.880 7.330 92 HA SER 11 HA SER 11 4.962 -7.229 4.663 93 HB2 SER 11 HB2 SER 11 7.221 -6.803 5.489 94 HB3 SER 11 HB3 SER 11 6.036 -6.188 6.640 95 HG SER 11 HG SER 11 6.295 -8.278 7.716 96 H ASP 12 H ASP 12 5.446 -10.169 6.516 97 HA ASP 12 HA ASP 12 7.420 -11.413 4.934 98 HB2 ASP 12 HB2 ASP 12 5.167 -12.556 6.598 99 HB3 ASP 12 HB3 ASP 12 6.381 -13.559 5.809 100 H LYS 13 H LYS 13 3.894 -11.295 4.673 101 HA LYS 13 HA LYS 13 3.872 -12.915 2.255 102 HB2 LYS 13 HB2 LYS 13 1.672 -11.451 3.732 103 HB3 LYS 13 HB3 LYS 13 1.423 -12.462 2.310 104 HG2 LYS 13 HG2 LYS 13 2.476 -14.374 3.537 105 HG3 LYS 13 HG3 LYS 13 2.558 -13.356 4.976 106 HD2 LYS 13 HD2 LYS 13 -0.034 -13.917 3.509 107 HD3 LYS 13 HD3 LYS 13 0.540 -14.907 4.851 108 HE2 LYS 13 HE2 LYS 13 0.601 -12.877 6.291 109 HE3 LYS 13 HE3 LYS 13 -0.050 -11.931 4.952 110 HZ1 LYS 13 HZ1 LYS 13 -2.041 -13.170 4.982 111 HZ2 LYS 13 HZ2 LYS 13 -1.721 -12.759 6.598 112 HZ3 LYS 13 HZ3 LYS 13 -1.403 -14.331 6.041 113 H GLY 14 H GLY 14 4.277 -9.612 3.056 114 HA2 GLY 14 HA2 GLY 14 4.850 -7.880 1.599 115 HA3 GLY 14 HA3 GLY 14 4.298 -8.858 0.248 116 H PHE 15 H PHE 15 1.933 -8.811 2.677 117 HA PHE 15 HA PHE 15 0.715 -6.298 1.921 118 HB2 PHE 15 HB2 PHE 15 -1.351 -7.279 1.007 119 HB3 PHE 15 HB3 PHE 15 0.052 -7.634 0.002 120 HD1 PHE 15 HD1 PHE 15 -2.380 -9.031 2.411 121 HD2 PHE 15 HD2 PHE 15 0.893 -9.892 -0.232 122 HE1 PHE 15 HE1 PHE 15 -2.878 -11.454 2.585 123 HE2 PHE 15 HE2 PHE 15 0.399 -12.316 -0.055 124 HZ PHE 15 HZ PHE 15 -1.486 -13.096 1.354 125 H GLY 16 H GLY 16 -1.564 -6.148 2.872 126 HA2 GLY 16 HA2 GLY 16 -2.108 -7.762 5.204 127 HA3 GLY 16 HA3 GLY 16 -1.523 -6.144 5.588 128 H PHE 17 H PHE 17 -3.905 -6.551 6.535 129 HA PHE 17 HA PHE 17 -5.829 -5.389 4.603 130 HB2 PHE 17 HB2 PHE 17 -6.340 -7.100 7.054 131 HB3 PHE 17 HB3 PHE 17 -7.597 -6.340 6.078 132 HD1 PHE 17 HD1 PHE 17 -5.066 -8.999 6.220 133 HD2 PHE 17 HD2 PHE 17 -8.050 -7.098 3.784 134 HE1 PHE 17 HE1 PHE 17 -5.009 -10.919 4.653 135 HE2 PHE 17 HE2 PHE 17 -7.991 -9.019 2.216 136 HZ PHE 17 HZ PHE 17 -6.470 -10.929 2.651 137 H ILE 18 H ILE 18 -6.732 -3.448 5.109 138 HA ILE 18 HA ILE 18 -6.068 -2.333 7.755 139 HB ILE 18 HB ILE 18 -4.837 -1.215 5.963 140 HG12 ILE 18 HG12 ILE 18 -7.016 0.688 6.851 141 HG13 ILE 18 HG13 ILE 18 -5.853 0.031 8.001 142 HG21 ILE 18 HG21 ILE 18 -6.168 -1.495 4.030 143 HG22 ILE 18 HG22 ILE 18 -6.279 0.230 4.372 144 HG23 ILE 18 HG23 ILE 18 -7.604 -0.846 4.818 145 HD11 ILE 18 HD11 ILE 18 -5.301 2.299 6.859 146 HD12 ILE 18 HD12 ILE 18 -4.907 1.319 5.445 147 HD13 ILE 18 HD13 ILE 18 -4.034 1.078 6.956 148 H THR 19 H THR 19 -7.530 -1.112 8.847 149 HA THR 19 HA THR 19 -10.323 -1.600 8.131 150 HB THR 19 HB THR 19 -9.123 -0.674 10.746 151 HG1 THR 19 HG1 THR 19 -8.957 -2.721 11.235 152 HG21 THR 19 HG21 THR 19 -11.902 -1.579 9.949 153 HG22 THR 19 HG22 THR 19 -11.438 -0.012 10.612 154 HG23 THR 19 HG23 THR 19 -11.364 -1.454 11.624 155 HA PRO 20 HA PRO 20 -10.145 2.781 6.707 156 HB2 PRO 20 HB2 PRO 20 -13.073 2.188 6.481 157 HB3 PRO 20 HB3 PRO 20 -12.002 3.008 5.328 158 HG2 PRO 20 HG2 PRO 20 -12.732 0.537 4.877 159 HG3 PRO 20 HG3 PRO 20 -11.046 1.018 4.611 160 HD2 PRO 20 HD2 PRO 20 -12.216 -0.539 6.899 161 HD3 PRO 20 HD3 PRO 20 -10.666 -0.764 6.056 162 H GLU 21 H GLU 21 -10.381 4.591 7.857 163 HA GLU 21 HA GLU 21 -11.239 4.621 10.534 164 HB2 GLU 21 HB2 GLU 21 -9.607 6.214 9.606 165 HB3 GLU 21 HB3 GLU 21 -10.861 6.917 8.587 166 HG2 GLU 21 HG2 GLU 21 -10.570 8.316 10.556 167 HG3 GLU 21 HG3 GLU 21 -12.143 7.518 10.632 168 H ASP 22 H ASP 22 -12.820 5.675 7.537 169 HA ASP 22 HA ASP 22 -15.137 6.787 8.724 170 HB2 ASP 22 HB2 ASP 22 -14.314 7.133 6.356 171 HB3 ASP 22 HB3 ASP 22 -14.983 5.545 5.979 172 H GLY 23 H GLY 23 -14.169 3.556 8.650 173 HA2 GLY 23 HA2 GLY 23 -15.354 1.776 9.639 174 HA3 GLY 23 HA3 GLY 23 -16.854 2.667 9.406 175 H SER 24 H SER 24 -14.942 2.717 6.601 176 HA SER 24 HA SER 24 -16.811 1.137 5.113 177 HB2 SER 24 HB2 SER 24 -15.648 2.985 4.039 178 HB3 SER 24 HB3 SER 24 -14.090 2.230 4.356 179 HG SER 24 HG SER 24 -16.172 1.011 2.867 180 H LYS 25 H LYS 25 -16.021 -0.676 3.659 181 HA LYS 25 HA LYS 25 -15.145 -2.848 5.244 182 HB2 LYS 25 HB2 LYS 25 -15.378 -2.542 2.242 183 HB3 LYS 25 HB3 LYS 25 -15.046 -4.070 3.059 184 HG2 LYS 25 HG2 LYS 25 -17.154 -3.857 4.325 185 HG3 LYS 25 HG3 LYS 25 -17.489 -2.330 3.510 186 HD2 LYS 25 HD2 LYS 25 -17.483 -3.502 1.328 187 HD3 LYS 25 HD3 LYS 25 -17.184 -5.030 2.159 188 HE2 LYS 25 HE2 LYS 25 -19.596 -3.250 2.632 189 HE3 LYS 25 HE3 LYS 25 -19.598 -4.698 1.627 190 HZ1 LYS 25 HZ1 LYS 25 -19.395 -4.456 4.539 191 HZ2 LYS 25 HZ2 LYS 25 -18.596 -5.751 3.785 192 HZ3 LYS 25 HZ3 LYS 25 -20.274 -5.565 3.606 193 H ASP 26 H ASP 26 -13.209 -4.067 5.168 194 HA ASP 26 HA ASP 26 -10.838 -2.634 5.211 195 HB2 ASP 26 HB2 ASP 26 -11.372 -5.585 4.896 196 HB3 ASP 26 HB3 ASP 26 -9.753 -4.922 5.094 197 H LEU 27 H LEU 27 -9.171 -2.305 3.855 198 HA LEU 27 HA LEU 27 -9.556 -3.036 1.011 199 HB2 LEU 27 HB2 LEU 27 -8.189 -0.589 2.171 200 HB3 LEU 27 HB3 LEU 27 -8.317 -0.971 0.457 201 HG LEU 27 HG LEU 27 -10.716 -0.587 2.278 202 HD11 LEU 27 HD11 LEU 27 -9.396 1.342 0.343 203 HD12 LEU 27 HD12 LEU 27 -9.445 1.506 2.097 204 HD13 LEU 27 HD13 LEU 27 -10.934 1.620 1.159 205 HD21 LEU 27 HD21 LEU 27 -11.204 -1.923 0.284 206 HD22 LEU 27 HD22 LEU 27 -10.395 -0.739 -0.740 207 HD23 LEU 27 HD23 LEU 27 -11.896 -0.313 0.081 208 H PHE 28 H PHE 28 -7.673 -3.569 -0.191 209 HA PHE 28 HA PHE 28 -5.654 -4.960 1.341 210 HB2 PHE 28 HB2 PHE 28 -6.072 -4.543 -1.627 211 HB3 PHE 28 HB3 PHE 28 -4.732 -5.477 -0.956 212 HD1 PHE 28 HD1 PHE 28 -8.378 -5.340 -1.459 213 HD2 PHE 28 HD2 PHE 28 -5.115 -7.610 0.174 214 HE1 PHE 28 HE1 PHE 28 -9.860 -7.317 -1.247 215 HE2 PHE 28 HE2 PHE 28 -6.599 -9.586 0.385 216 HZ PHE 28 HZ PHE 28 -8.970 -9.440 -0.326 217 H VAL 29 H VAL 29 -3.595 -4.339 1.749 218 HA VAL 29 HA VAL 29 -2.603 -1.834 0.521 219 HB VAL 29 HB VAL 29 -2.314 -2.675 3.420 220 HG11 VAL 29 HG11 VAL 29 -1.110 -0.636 3.779 221 HG12 VAL 29 HG12 VAL 29 -1.481 -0.058 2.154 222 HG13 VAL 29 HG13 VAL 29 -0.367 -1.405 2.378 223 HG21 VAL 29 HG21 VAL 29 -3.736 -0.210 2.415 224 HG22 VAL 29 HG22 VAL 29 -3.845 -0.973 3.999 225 HG23 VAL 29 HG23 VAL 29 -4.587 -1.743 2.598 226 H HIS 30 H HIS 30 -0.571 -2.005 -0.312 227 HA HIS 30 HA HIS 30 0.911 -4.509 0.211 228 HB2 HIS 30 HB2 HIS 30 1.015 -2.626 -2.152 229 HB3 HIS 30 HB3 HIS 30 2.042 -4.047 -1.956 230 HD2 HIS 30 HD2 HIS 30 -1.400 -3.185 -3.376 231 HE1 HIS 30 HE1 HIS 30 -1.419 -7.362 -2.763 232 HE2 HIS 30 HE2 HIS 30 -2.656 -5.426 -3.846 233 H HIS 31 H HIS 31 2.962 -4.491 0.892 234 HA HIS 31 HA HIS 31 3.991 -2.256 2.300 235 HB2 HIS 31 HB2 HIS 31 4.506 -4.665 2.797 236 HB3 HIS 31 HB3 HIS 31 5.527 -4.693 1.361 237 HD2 HIS 31 HD2 HIS 31 5.665 -3.402 5.040 238 HE1 HIS 31 HE1 HIS 31 9.250 -2.224 3.149 239 HE2 HIS 31 HE2 HIS 31 8.043 -2.379 5.377 240 H SER 32 H SER 32 4.920 -3.723 -0.788 241 HA SER 32 HA SER 32 7.134 -2.195 -1.434 242 HB2 SER 32 HB2 SER 32 6.417 -4.176 -2.688 243 HB3 SER 32 HB3 SER 32 5.048 -3.277 -3.333 244 HG SER 32 HG SER 32 6.622 -3.066 -4.834 245 H GLU 33 H GLU 33 3.799 -1.191 -1.498 246 HA GLU 33 HA GLU 33 4.045 0.895 -3.404 247 HB2 GLU 33 HB2 GLU 33 2.058 0.390 -1.194 248 HB3 GLU 33 HB3 GLU 33 1.921 1.746 -2.312 249 HG2 GLU 33 HG2 GLU 33 2.087 -1.166 -3.141 250 HG3 GLU 33 HG3 GLU 33 0.595 -0.234 -3.051 251 H ILE 34 H ILE 34 4.911 0.782 -0.005 252 HA ILE 34 HA ILE 34 4.750 3.537 0.557 253 HB ILE 34 HB ILE 34 5.086 1.794 2.297 254 HG12 ILE 34 HG12 ILE 34 7.359 3.789 2.387 255 HG13 ILE 34 HG13 ILE 34 5.674 4.282 2.569 256 HG21 ILE 34 HG21 ILE 34 6.994 0.696 0.790 257 HG22 ILE 34 HG22 ILE 34 7.035 0.558 2.546 258 HG23 ILE 34 HG23 ILE 34 8.038 1.759 1.731 259 HD11 ILE 34 HD11 ILE 34 5.477 2.584 4.437 260 HD12 ILE 34 HD12 ILE 34 6.561 3.931 4.785 261 HD13 ILE 34 HD13 ILE 34 7.222 2.361 4.331 262 H GLN 35 H GLN 35 5.699 5.160 -0.426 263 HA GLN 35 HA GLN 35 8.299 4.736 -1.763 264 HB2 GLN 35 HB2 GLN 35 6.128 6.791 -2.190 265 HB3 GLN 35 HB3 GLN 35 7.712 6.877 -2.961 266 HG2 GLN 35 HG2 GLN 35 7.366 4.755 -4.063 267 HG3 GLN 35 HG3 GLN 35 5.881 4.473 -3.160 268 HE21 GLN 35 HE21 GLN 35 6.269 4.714 -6.144 269 HE22 GLN 35 HE22 GLN 35 5.229 5.967 -6.626 270 H SER 36 H SER 36 7.442 5.680 1.193 271 HA SER 36 HA SER 36 8.488 8.268 1.557 272 HB2 SER 36 HB2 SER 36 8.378 5.931 3.474 273 HB3 SER 36 HB3 SER 36 8.750 7.589 3.935 274 HG SER 36 HG SER 36 6.709 8.201 3.223 275 H GLY 37 H GLY 37 10.497 9.056 1.884 276 HA2 GLY 37 HA2 GLY 37 12.753 7.270 1.306 277 HA3 GLY 37 HA3 GLY 37 12.774 9.029 1.232 278 H GLY 38 H GLY 38 14.846 8.481 2.443 279 HA2 GLY 38 HA2 GLY 38 16.088 8.602 4.373 280 HA3 GLY 38 HA3 GLY 38 14.663 9.331 5.106 281 H GLU 39 H GLU 39 14.372 8.322 6.994 282 HA GLU 39 HA GLU 39 15.029 5.578 7.469 283 HB2 GLU 39 HB2 GLU 39 13.393 7.549 9.086 284 HB3 GLU 39 HB3 GLU 39 13.889 5.955 9.654 285 HG2 GLU 39 HG2 GLU 39 16.255 6.574 9.349 286 HG3 GLU 39 HG3 GLU 39 15.768 8.166 8.770 287 H TYR 40 H TYR 40 13.680 3.808 7.708 288 HA TYR 40 HA TYR 40 10.970 4.112 6.553 289 HB2 TYR 40 HB2 TYR 40 12.812 1.710 6.578 290 HB3 TYR 40 HB3 TYR 40 11.172 1.716 5.937 291 HD1 TYR 40 HD1 TYR 40 14.627 2.848 5.416 292 HD2 TYR 40 HD2 TYR 40 10.607 2.976 3.904 293 HE1 TYR 40 HE1 TYR 40 15.466 3.728 3.255 294 HE2 TYR 40 HE2 TYR 40 11.448 3.856 1.742 295 HH TYR 40 HH TYR 40 13.756 3.706 0.471 296 H ALA 41 H ALA 41 9.282 3.662 7.791 297 HA ALA 41 HA ALA 41 9.724 2.472 10.443 298 HB1 ALA 41 HB1 ALA 41 7.353 3.940 9.258 299 HB2 ALA 41 HB2 ALA 41 8.503 4.573 10.436 300 HB3 ALA 41 HB3 ALA 41 7.401 3.272 10.891 301 H THR 42 H THR 42 8.860 0.515 11.031 302 HA THR 42 HA THR 42 7.947 -1.234 8.937 303 HB THR 42 HB THR 42 7.846 -2.930 10.719 304 HG1 THR 42 HG1 THR 42 8.471 -0.729 12.391 305 HG21 THR 42 HG21 THR 42 10.026 -2.391 9.662 306 HG22 THR 42 HG22 THR 42 10.218 -2.904 11.339 307 HG23 THR 42 HG23 THR 42 10.325 -1.194 10.922 308 H LEU 43 H LEU 43 5.994 -2.648 9.377 309 HA LEU 43 HA LEU 43 3.772 -1.110 10.556 310 HB2 LEU 43 HB2 LEU 43 3.687 -2.558 7.900 311 HB3 LEU 43 HB3 LEU 43 2.309 -1.818 8.704 312 HG LEU 43 HG LEU 43 3.907 0.341 8.684 313 HD11 LEU 43 HD11 LEU 43 5.869 -0.616 7.690 314 HD12 LEU 43 HD12 LEU 43 5.113 0.350 6.429 315 HD13 LEU 43 HD13 LEU 43 4.927 -1.403 6.427 316 HD21 LEU 43 HD21 LEU 43 2.789 1.074 6.653 317 HD22 LEU 43 HD22 LEU 43 1.664 0.082 7.580 318 HD23 LEU 43 HD23 LEU 43 2.482 -0.596 6.172 319 H ALA 44 H ALA 44 2.276 -2.307 11.641 320 HA ALA 44 HA ALA 44 2.389 -5.230 11.548 321 HB1 ALA 44 HB1 ALA 44 3.997 -4.120 13.335 322 HB2 ALA 44 HB2 ALA 44 3.048 -5.545 13.754 323 HB3 ALA 44 HB3 ALA 44 2.503 -3.945 14.257 324 H ASP 45 H ASP 45 0.786 -5.245 14.160 325 HA ASP 45 HA ASP 45 -1.808 -4.806 12.935 326 HB2 ASP 45 HB2 ASP 45 -1.336 -6.845 14.251 327 HB3 ASP 45 HB3 ASP 45 -1.055 -5.854 15.675 328 H GLY 46 H GLY 46 -2.629 -2.793 12.971 329 HA2 GLY 46 HA2 GLY 46 -3.815 -1.132 14.236 330 HA3 GLY 46 HA3 GLY 46 -2.656 -1.341 15.539 331 H GLN 47 H GLN 47 -0.942 -1.258 12.660 332 HA GLN 47 HA GLN 47 0.278 1.236 13.204 333 HB2 GLN 47 HB2 GLN 47 1.324 -0.667 11.957 334 HB3 GLN 47 HB3 GLN 47 0.270 -0.301 10.592 335 HG2 GLN 47 HG2 GLN 47 2.451 0.746 10.245 336 HG3 GLN 47 HG3 GLN 47 1.233 1.987 10.497 337 HE21 GLN 47 HE21 GLN 47 2.079 3.626 11.788 338 HE22 GLN 47 HE22 GLN 47 3.109 3.385 13.116 339 H THR 48 H THR 48 -0.237 3.259 12.607 340 HA THR 48 HA THR 48 -2.686 3.698 11.071 341 HB THR 48 HB THR 48 -0.849 5.688 12.449 342 HG1 THR 48 HG1 THR 48 -1.963 4.067 13.763 343 HG21 THR 48 HG21 THR 48 -2.267 6.688 10.684 344 HG22 THR 48 HG22 THR 48 -2.790 7.202 12.288 345 HG23 THR 48 HG23 THR 48 -3.693 5.959 11.422 346 H VAL 49 H VAL 49 -2.685 4.137 8.960 347 HA VAL 49 HA VAL 49 -0.306 5.396 7.751 348 HB VAL 49 HB VAL 49 -0.349 3.809 5.861 349 HG11 VAL 49 HG11 VAL 49 -0.138 2.256 8.447 350 HG12 VAL 49 HG12 VAL 49 1.054 3.465 7.975 351 HG13 VAL 49 HG13 VAL 49 0.800 2.044 6.967 352 HG21 VAL 49 HG21 VAL 49 -1.621 1.658 6.178 353 HG22 VAL 49 HG22 VAL 49 -2.658 3.062 5.927 354 HG23 VAL 49 HG23 VAL 49 -2.443 2.403 7.549 355 H GLU 50 H GLU 50 -0.715 6.128 5.512 356 HA GLU 50 HA GLU 50 -3.535 6.954 5.131 357 HB2 GLU 50 HB2 GLU 50 -2.626 8.968 3.957 358 HB3 GLU 50 HB3 GLU 50 -2.247 8.936 5.678 359 HG2 GLU 50 HG2 GLU 50 -0.001 8.064 5.162 360 HG3 GLU 50 HG3 GLU 50 -0.383 8.079 3.442 361 H TYR 51 H TYR 51 -4.380 6.686 3.073 362 HA TYR 51 HA TYR 51 -2.663 5.936 0.859 363 HB2 TYR 51 HB2 TYR 51 -3.669 3.718 0.525 364 HB3 TYR 51 HB3 TYR 51 -2.820 3.808 2.065 365 HD1 TYR 51 HD1 TYR 51 -6.107 3.597 0.426 366 HD2 TYR 51 HD2 TYR 51 -4.059 3.864 4.192 367 HE1 TYR 51 HE1 TYR 51 -8.196 2.969 1.606 368 HE2 TYR 51 HE2 TYR 51 -6.149 3.234 5.371 369 HH TYR 51 HH TYR 51 -9.152 3.335 3.965 370 H GLU 52 H GLU 52 -3.928 5.353 -1.098 371 HA GLU 52 HA GLU 52 -6.488 6.844 -1.198 372 HB2 GLU 52 HB2 GLU 52 -4.402 6.499 -3.376 373 HB3 GLU 52 HB3 GLU 52 -5.953 7.322 -3.568 374 HG2 GLU 52 HG2 GLU 52 -5.301 8.942 -1.813 375 HG3 GLU 52 HG3 GLU 52 -3.746 8.130 -1.647 376 H VAL 53 H VAL 53 -8.220 5.692 -1.813 377 HA VAL 53 HA VAL 53 -7.979 2.875 -2.322 378 HB VAL 53 HB VAL 53 -9.855 3.826 -1.033 379 HG11 VAL 53 HG11 VAL 53 -10.974 4.905 -3.623 380 HG12 VAL 53 HG12 VAL 53 -10.012 5.907 -2.537 381 HG13 VAL 53 HG13 VAL 53 -11.530 5.206 -1.978 382 HG21 VAL 53 HG21 VAL 53 -11.633 2.514 -2.055 383 HG22 VAL 53 HG22 VAL 53 -10.104 1.662 -2.270 384 HG23 VAL 53 HG23 VAL 53 -10.812 2.554 -3.615 385 H GLY 54 H GLY 54 -7.409 2.047 -4.198 386 HA2 GLY 54 HA2 GLY 54 -8.066 3.457 -6.702 387 HA3 GLY 54 HA3 GLY 54 -6.758 2.288 -6.502 388 H GLN 55 H GLN 55 -8.340 1.781 -8.574 389 HA GLN 55 HA GLN 55 -10.300 -0.222 -7.644 390 HB2 GLN 55 HB2 GLN 55 -11.177 1.597 -9.106 391 HB3 GLN 55 HB3 GLN 55 -10.069 1.076 -10.376 392 HG2 GLN 55 HG2 GLN 55 -11.136 -1.154 -10.392 393 HG3 GLN 55 HG3 GLN 55 -12.250 -0.628 -9.130 394 HE21 GLN 55 HE21 GLN 55 -14.241 -0.054 -9.988 395 HE22 GLN 55 HE22 GLN 55 -14.477 0.680 -11.501 396 H GLY 56 H GLY 56 -9.947 -2.309 -8.013 397 HA2 GLY 56 HA2 GLY 56 -7.856 -3.113 -9.943 398 HA3 GLY 56 HA3 GLY 56 -7.934 -3.814 -8.328 399 H GLN 57 H GLN 57 -8.101 -5.312 -10.732 400 HA GLN 57 HA GLN 57 -10.736 -5.923 -11.532 401 HB2 GLN 57 HB2 GLN 57 -8.184 -7.544 -11.578 402 HB3 GLN 57 HB3 GLN 57 -9.697 -8.093 -12.306 403 HG2 GLN 57 HG2 GLN 57 -9.753 -6.194 -13.795 404 HG3 GLN 57 HG3 GLN 57 -8.390 -5.442 -12.967 405 HE21 GLN 57 HE21 GLN 57 -8.625 -6.313 -15.851 406 HE22 GLN 57 HE22 GLN 57 -7.331 -7.386 -16.096 407 H LYS 58 H LYS 58 -8.660 -7.284 -8.998 408 HA LYS 58 HA LYS 58 -10.666 -9.217 -8.183 409 HB2 LYS 58 HB2 LYS 58 -8.001 -8.425 -6.994 410 HB3 LYS 58 HB3 LYS 58 -9.034 -9.699 -6.344 411 HG2 LYS 58 HG2 LYS 58 -8.942 -10.883 -8.507 412 HG3 LYS 58 HG3 LYS 58 -7.905 -9.614 -9.158 413 HD2 LYS 58 HD2 LYS 58 -6.208 -10.113 -7.440 414 HD3 LYS 58 HD3 LYS 58 -7.241 -11.384 -6.786 415 HE2 LYS 58 HE2 LYS 58 -7.152 -12.575 -8.943 416 HE3 LYS 58 HE3 LYS 58 -6.126 -11.304 -9.606 417 HZ1 LYS 58 HZ1 LYS 58 -4.684 -12.998 -8.905 418 HZ2 LYS 58 HZ2 LYS 58 -5.498 -13.208 -7.427 419 HZ3 LYS 58 HZ3 LYS 58 -4.578 -11.806 -7.704 420 H GLY 59 H GLY 59 -9.822 -5.954 -7.386 421 HA2 GLY 59 HA2 GLY 59 -12.035 -5.190 -6.037 422 HA3 GLY 59 HA3 GLY 59 -11.079 -5.956 -4.772 423 HA PRO 60 HA PRO 60 -9.680 -1.474 -5.343 424 HB2 PRO 60 HB2 PRO 60 -10.155 -0.552 -2.841 425 HB3 PRO 60 HB3 PRO 60 -11.410 -0.575 -4.097 426 HG2 PRO 60 HG2 PRO 60 -10.927 -2.511 -1.878 427 HG3 PRO 60 HG3 PRO 60 -12.447 -1.784 -2.426 428 HD2 PRO 60 HD2 PRO 60 -11.704 -4.299 -3.156 429 HD3 PRO 60 HD3 PRO 60 -12.649 -3.244 -4.232 430 H CYS 61 H CYS 61 -7.838 -0.431 -4.369 431 HA CYS 61 HA CYS 61 -6.260 -2.051 -2.483 432 HB2 CYS 61 HB2 CYS 61 -4.258 -1.851 -3.877 433 HB3 CYS 61 HB3 CYS 61 -5.533 -2.690 -4.758 434 HG CYS 61 HG CYS 61 -5.472 -0.893 -6.455 435 H ALA 62 H ALA 62 -4.212 -0.783 -1.838 436 HA ALA 62 HA ALA 62 -4.936 2.070 -1.499 437 HB1 ALA 62 HB1 ALA 62 -4.926 1.331 0.678 438 HB2 ALA 62 HB2 ALA 62 -3.206 1.680 0.506 439 HB3 ALA 62 HB3 ALA 62 -3.790 0.026 0.340 440 H ASN 63 H ASN 63 -3.568 3.530 -2.367 441 HA ASN 63 HA ASN 63 -0.851 2.629 -3.123 442 HB2 ASN 63 HB2 ASN 63 -2.640 4.644 -4.504 443 HB3 ASN 63 HB3 ASN 63 -0.991 4.247 -4.981 444 HD21 ASN 63 HD21 ASN 63 -3.826 3.744 -6.244 445 HD22 ASN 63 HD22 ASN 63 -3.752 2.106 -6.681 446 H LYS 64 H LYS 64 0.793 4.317 -3.132 447 HA LYS 64 HA LYS 64 1.995 5.967 -2.083 448 HB2 LYS 64 HB2 LYS 64 -0.714 7.324 -1.917 449 HB3 LYS 64 HB3 LYS 64 0.841 8.110 -1.674 450 HG2 LYS 64 HG2 LYS 64 0.054 6.693 -4.242 451 HG3 LYS 64 HG3 LYS 64 -0.139 8.425 -3.986 452 HD2 LYS 64 HD2 LYS 64 2.306 8.617 -3.569 453 HD3 LYS 64 HD3 LYS 64 2.479 6.893 -3.901 454 HE2 LYS 64 HE2 LYS 64 1.576 7.234 -6.171 455 HE3 LYS 64 HE3 LYS 64 1.403 8.959 -5.844 456 HZ1 LYS 64 HZ1 LYS 64 3.857 7.372 -6.184 457 HZ2 LYS 64 HZ2 LYS 64 3.897 8.793 -5.253 458 HZ3 LYS 64 HZ3 LYS 64 3.433 8.856 -6.888 459 H VAL 65 H VAL 65 1.425 3.851 -0.500 460 HA VAL 65 HA VAL 65 0.167 4.581 1.960 461 HB VAL 65 HB VAL 65 1.106 2.460 2.831 462 HG11 VAL 65 HG11 VAL 65 -0.017 0.984 1.077 463 HG12 VAL 65 HG12 VAL 65 -0.251 2.452 0.129 464 HG13 VAL 65 HG13 VAL 65 -1.000 2.301 1.718 465 HG21 VAL 65 HG21 VAL 65 2.447 2.364 0.109 466 HG22 VAL 65 HG22 VAL 65 2.300 0.979 1.186 467 HG23 VAL 65 HG23 VAL 65 3.237 2.381 1.681 468 H VAL 66 H VAL 66 0.929 5.822 3.466 469 HA VAL 66 HA VAL 66 3.853 5.960 3.932 470 HB VAL 66 HB VAL 66 1.966 8.338 3.930 471 HG11 VAL 66 HG11 VAL 66 4.930 8.105 4.511 472 HG12 VAL 66 HG12 VAL 66 3.674 8.639 5.625 473 HG13 VAL 66 HG13 VAL 66 4.099 9.634 4.232 474 HG21 VAL 66 HG21 VAL 66 3.251 9.091 1.994 475 HG22 VAL 66 HG22 VAL 66 2.584 7.492 1.666 476 HG23 VAL 66 HG23 VAL 66 4.285 7.665 2.098 477 H ALA 67 H ALA 67 4.415 5.581 5.962 478 HA ALA 67 HA ALA 67 2.489 4.959 7.966 479 HB1 ALA 67 HB1 ALA 67 4.695 3.855 7.830 480 HB2 ALA 67 HB2 ALA 67 4.420 4.580 9.413 481 HB3 ALA 67 HB3 ALA 67 5.471 5.382 8.246 482 H VAL 68 H VAL 68 1.816 6.079 9.728 483 HA VAL 68 HA VAL 68 2.552 8.942 9.839 484 HB VAL 68 HB VAL 68 0.095 7.574 10.989 485 HG11 VAL 68 HG11 VAL 68 -0.722 9.972 11.095 486 HG12 VAL 68 HG12 VAL 68 0.925 10.479 10.718 487 HG13 VAL 68 HG13 VAL 68 0.595 9.596 12.208 488 HG21 VAL 68 HG21 VAL 68 -1.072 8.838 9.119 489 HG22 VAL 68 HG22 VAL 68 -0.066 7.492 8.580 490 HG23 VAL 68 HG23 VAL 68 0.522 9.148 8.429
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