NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561462 | 2m5o | 19068 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 17.368 0.509 29.966 2 H2 MET 1 2H MET 1 16.312 0.234 28.678 3 H3 MET 1 3H MET 1 16.658 1.813 29.162 4 HA MET 1 HA MET 1 18.567 -0.109 27.988 5 HB2 MET 1 2HB MET 1 17.309 2.420 26.823 6 HB3 MET 1 3HB MET 1 18.591 1.488 26.048 7 HG2 MET 1 2HG MET 1 15.777 0.545 26.647 8 HG3 MET 1 3HG MET 1 16.477 0.873 25.055 9 HE1 MET 1 3HE MET 1 15.014 -1.936 26.169 10 HE2 MET 1 1HE MET 1 16.014 -3.116 25.323 11 HE3 MET 1 2HE MET 1 15.456 -1.672 24.481 12 H GLY 2 H GLY 2 20.420 1.587 26.991 13 HA2 GLY 2 2HA GLY 2 21.886 2.277 29.377 14 HA3 GLY 2 3HA GLY 2 22.455 2.386 27.721 15 H HIS 3 H HIS 3 23.262 4.297 29.367 16 HA HIS 3 HA HIS 3 21.629 6.675 29.327 17 HB2 HIS 3 2HB HIS 3 23.355 6.222 31.076 18 HB3 HIS 3 3HB HIS 3 24.614 6.335 29.857 19 HD1 HIS 3 HD1 HIS 3 22.136 8.498 31.736 20 HD2 HIS 3 HD2 HIS 3 25.463 8.943 29.279 21 HE1 HIS 3 HE1 HIS 3 22.786 10.915 31.906 22 HE2 HIS 3 HE2 HIS 3 24.726 11.187 30.320 23 H HIS 4 H HIS 4 21.121 6.499 27.030 24 HA HIS 4 HA HIS 4 23.015 8.016 25.336 25 HB2 HIS 4 2HB HIS 4 21.179 5.759 24.365 26 HB3 HIS 4 3HB HIS 4 22.195 6.767 23.338 27 HD1 HIS 4 HD1 HIS 4 24.686 6.140 23.196 28 HD2 HIS 4 HD2 HIS 4 22.537 3.744 25.813 29 HE1 HIS 4 HE1 HIS 4 26.195 4.207 23.725 30 HE2 HIS 4 HE2 HIS 4 24.800 2.683 25.169 31 H HIS 5 H HIS 5 19.667 6.789 25.070 32 HA HIS 5 HA HIS 5 17.609 7.712 25.013 33 HB2 HIS 5 2HB HIS 5 18.909 9.912 26.664 34 HB3 HIS 5 3HB HIS 5 17.172 9.665 26.512 35 HD1 HIS 5 HD1 HIS 5 19.900 8.882 28.702 36 HD2 HIS 5 HD2 HIS 5 16.429 6.923 27.501 37 HE1 HIS 5 HE1 HIS 5 19.529 7.053 30.388 38 HE2 HIS 5 HE2 HIS 5 17.333 6.001 29.743 39 H HIS 6 H HIS 6 19.596 8.455 22.912 40 HA HIS 6 HA HIS 6 18.541 11.047 21.935 41 HB2 HIS 6 2HB HIS 6 20.981 11.050 22.358 42 HB3 HIS 6 3HB HIS 6 21.178 9.652 21.313 43 HD1 HIS 6 HD1 HIS 6 22.198 10.345 19.168 44 HD2 HIS 6 HD2 HIS 6 19.609 13.252 20.633 45 HE1 HIS 6 HE1 HIS 6 22.248 12.211 17.483 46 HE2 HIS 6 HE2 HIS 6 20.635 13.941 18.362 47 H HIS 7 H HIS 7 17.494 11.073 20.030 48 HA HIS 7 HA HIS 7 17.360 8.602 18.391 49 HB2 HIS 7 2HB HIS 7 15.176 10.688 18.826 50 HB3 HIS 7 3HB HIS 7 15.057 9.307 17.738 51 HD1 HIS 7 HD1 HIS 7 13.695 10.197 20.760 52 HD2 HIS 7 HD2 HIS 7 15.848 6.842 19.583 53 HE1 HIS 7 HE1 HIS 7 13.102 8.402 22.405 54 HE2 HIS 7 HE2 HIS 7 14.522 6.425 21.763 55 H HIS 8 H HIS 8 18.261 8.816 16.468 56 HA HIS 8 HA HIS 8 19.116 11.282 15.288 57 HB2 HIS 8 2HB HIS 8 20.267 9.079 14.957 58 HB3 HIS 8 3HB HIS 8 18.885 8.499 14.044 59 HD1 HIS 8 HD1 HIS 8 22.040 10.332 13.691 60 HD2 HIS 8 HD2 HIS 8 18.556 9.879 11.461 61 HE1 HIS 8 HE1 HIS 8 22.616 11.103 11.372 62 HE2 HIS 8 HE2 HIS 8 20.504 10.812 10.035 63 H SER 9 H SER 9 16.409 9.075 14.841 64 HA SER 9 HA SER 9 14.928 11.101 13.304 65 HB2 SER 9 2HB SER 9 15.869 9.422 11.696 66 HB3 SER 9 3HB SER 9 15.039 8.139 12.575 67 HG SER 9 HG SER 9 13.846 10.327 11.208 68 H HIS 10 H HIS 10 12.568 10.438 13.196 69 HA HIS 10 HA HIS 10 11.536 8.904 15.439 70 HB2 HIS 10 2HB HIS 10 10.197 10.886 16.301 71 HB3 HIS 10 3HB HIS 10 11.921 10.972 16.621 72 HD1 HIS 10 HD1 HIS 10 9.173 12.812 14.958 73 HD2 HIS 10 HD2 HIS 10 13.331 12.902 14.992 74 HE1 HIS 10 HE1 HIS 10 9.810 15.014 13.938 75 HE2 HIS 10 HE2 HIS 10 12.317 14.925 13.745 76 H MET 11 H MET 11 9.555 8.106 15.035 77 HA MET 11 HA MET 11 8.270 8.549 12.460 78 HB2 MET 11 2HB MET 11 7.597 6.673 14.765 79 HB3 MET 11 3HB MET 11 6.750 6.697 13.222 80 HG2 MET 11 2HG MET 11 8.802 6.010 12.068 81 HG3 MET 11 3HG MET 11 9.686 6.034 13.595 82 HE1 MET 11 3HE MET 11 6.821 4.270 11.525 83 HE2 MET 11 1HE MET 11 5.962 4.714 13.003 84 HE3 MET 11 2HE MET 11 6.294 3.019 12.646 85 H GLY 12 H GLY 12 5.690 8.479 12.653 86 HA2 GLY 12 2HA GLY 12 3.723 9.514 13.321 87 HA3 GLY 12 3HA GLY 12 4.551 10.153 14.736 88 H SER 13 H SER 13 6.034 11.985 14.386 89 HA SER 13 HA SER 13 5.213 13.848 12.308 90 HB2 SER 13 2HB SER 13 6.970 15.329 13.485 91 HB3 SER 13 3HB SER 13 5.581 14.846 14.457 92 HG SER 13 HG SER 13 7.072 14.218 15.787 93 H GLU 14 H GLU 14 5.827 12.555 10.530 94 HA GLU 14 HA GLU 14 8.675 11.926 10.075 95 HB2 GLU 14 2HB GLU 14 6.111 10.925 8.753 96 HB3 GLU 14 3HB GLU 14 7.729 10.448 8.239 97 HG2 GLU 14 2HG GLU 14 8.158 9.356 10.348 98 HG3 GLU 14 3HG GLU 14 6.658 9.979 11.040 99 H GLU 15 H GLU 15 9.022 11.859 7.481 100 HA GLU 15 HA GLU 15 9.097 14.498 6.491 101 HB2 GLU 15 2HB GLU 15 9.557 11.793 5.209 102 HB3 GLU 15 3HB GLU 15 9.580 13.257 4.235 103 HG2 GLU 15 2HG GLU 15 11.376 12.737 6.619 104 HG3 GLU 15 3HG GLU 15 11.837 12.499 4.933 105 H ASP 16 H ASP 16 7.315 15.584 6.168 106 HA ASP 16 HA ASP 16 5.288 16.311 5.585 107 HB2 ASP 16 2HB ASP 16 6.319 15.665 3.269 108 HB3 ASP 16 3HB ASP 16 5.196 14.313 3.286 109 H ASP 17 H ASP 17 4.590 15.353 7.601 110 HA ASP 17 HA ASP 17 3.478 12.742 7.783 111 HB2 ASP 17 2HB ASP 17 2.719 13.348 9.989 112 HB3 ASP 17 3HB ASP 17 4.294 14.093 9.753 113 H GLY 18 H GLY 18 2.211 15.663 6.461 114 HA2 GLY 18 2HA GLY 18 -0.573 15.230 6.626 115 HA3 GLY 18 3HA GLY 18 0.253 16.155 5.380 116 H VAL 19 H VAL 19 1.745 14.434 4.026 117 HA VAL 19 HA VAL 19 0.015 12.845 2.443 118 HB VAL 19 HB VAL 19 3.067 12.966 2.631 119 HG11 VAL 19 1HG1 VAL 19 1.426 11.299 0.673 120 HG12 VAL 19 2HG1 VAL 19 2.551 10.688 1.888 121 HG13 VAL 19 3HG1 VAL 19 3.156 11.616 0.518 122 HG21 VAL 19 3HG2 VAL 19 2.901 14.098 0.432 123 HG22 VAL 19 1HG2 VAL 19 1.950 14.953 1.648 124 HG23 VAL 19 2HG2 VAL 19 1.144 13.926 0.459 125 H VAL 20 H VAL 20 2.458 11.966 4.883 126 HA VAL 20 HA VAL 20 2.373 9.194 4.761 127 HB VAL 20 HB VAL 20 3.005 11.073 7.082 128 HG11 VAL 20 1HG1 VAL 20 3.510 8.077 7.024 129 HG12 VAL 20 2HG1 VAL 20 2.376 8.911 8.084 130 HG13 VAL 20 3HG1 VAL 20 4.109 9.193 8.252 131 HG21 VAL 20 3HG2 VAL 20 5.370 10.524 6.555 132 HG22 VAL 20 1HG2 VAL 20 4.547 11.215 5.153 133 HG23 VAL 20 2HG2 VAL 20 4.838 9.477 5.238 134 H ALA 21 H ALA 21 0.387 11.365 6.752 135 HA ALA 21 HA ALA 21 -0.971 9.365 8.254 136 HB1 ALA 21 3HB ALA 21 -1.792 12.250 7.762 137 HB2 ALA 21 1HB ALA 21 -0.739 11.682 9.061 138 HB3 ALA 21 2HB ALA 21 -2.431 11.188 9.022 139 H MET 22 H MET 22 -1.830 11.163 5.271 140 HA MET 22 HA MET 22 -4.470 10.005 5.165 141 HB2 MET 22 2HB MET 22 -4.790 11.117 3.039 142 HB3 MET 22 3HB MET 22 -4.061 12.239 4.174 143 HG2 MET 22 2HG MET 22 -1.915 12.017 3.089 144 HG3 MET 22 3HG MET 22 -2.537 10.765 2.016 145 HE1 MET 22 3HE MET 22 -4.370 11.234 0.101 146 HE2 MET 22 1HE MET 22 -5.053 12.826 -0.221 147 HE3 MET 22 2HE MET 22 -5.474 11.973 1.265 148 H ILE 23 H ILE 23 -1.295 9.023 3.971 149 HA ILE 23 HA ILE 23 -2.202 6.986 2.186 150 HB ILE 23 HB ILE 23 0.372 7.066 3.829 151 HG12 ILE 23 2HG1 ILE 23 -0.078 7.696 0.871 152 HG13 ILE 23 3HG1 ILE 23 0.185 8.892 2.132 153 HG21 ILE 23 1HG2 ILE 23 -0.142 4.738 3.235 154 HG22 ILE 23 2HG2 ILE 23 1.232 5.298 2.289 155 HG23 ILE 23 3HG2 ILE 23 -0.363 5.183 1.542 156 HD11 ILE 23 3HD1 ILE 23 2.190 8.524 0.820 157 HD12 ILE 23 1HD1 ILE 23 2.181 6.811 1.233 158 HD13 ILE 23 2HD1 ILE 23 2.451 8.023 2.489 159 H LYS 24 H LYS 24 -1.438 7.046 5.677 160 HA LYS 24 HA LYS 24 -1.851 4.391 6.376 161 HB2 LYS 24 2HB LYS 24 -2.528 6.895 7.969 162 HB3 LYS 24 3HB LYS 24 -2.512 5.269 8.650 163 HG2 LYS 24 2HG LYS 24 -0.093 5.091 8.110 164 HG3 LYS 24 3HG LYS 24 -0.130 6.749 7.495 165 HD2 LYS 24 2HD LYS 24 -0.785 7.578 9.731 166 HD3 LYS 24 3HD LYS 24 -0.807 5.922 10.346 167 HE2 LYS 24 2HE LYS 24 1.622 5.739 9.876 168 HE3 LYS 24 3HE LYS 24 1.628 7.414 9.316 169 HZ1 LYS 24 3HZ LYS 24 0.919 6.503 12.049 170 HZ2 LYS 24 1HZ LYS 24 0.934 8.106 11.511 171 HZ3 LYS 24 2HZ LYS 24 2.375 7.231 11.593 172 H GLU 25 H GLU 25 -4.312 6.968 6.037 173 HA GLU 25 HA GLU 25 -6.474 5.255 6.856 174 HB2 GLU 25 2HB GLU 25 -7.917 7.093 6.627 175 HB3 GLU 25 3HB GLU 25 -6.392 7.839 7.073 176 HG2 GLU 25 2HG GLU 25 -6.027 8.314 4.609 177 HG3 GLU 25 3HG GLU 25 -7.690 7.775 4.330 178 H LEU 26 H LEU 26 -5.180 6.389 3.698 179 HA LEU 26 HA LEU 26 -7.135 5.296 1.986 180 HB2 LEU 26 2HB LEU 26 -4.193 5.932 1.585 181 HB3 LEU 26 3HB LEU 26 -5.152 5.248 0.284 182 HG LEU 26 HG LEU 26 -5.787 7.899 1.644 183 HD11 LEU 26 1HD1 LEU 26 -4.940 9.003 -0.374 184 HD12 LEU 26 2HD1 LEU 26 -4.424 7.443 -1.022 185 HD13 LEU 26 3HD1 LEU 26 -3.667 8.088 0.437 186 HD21 LEU 26 3HD2 LEU 26 -7.318 8.266 -0.242 187 HD22 LEU 26 1HD2 LEU 26 -7.764 6.818 0.661 188 HD23 LEU 26 2HD2 LEU 26 -6.926 6.668 -0.885 189 H LEU 27 H LEU 27 -4.405 3.787 3.611 190 HA LEU 27 HA LEU 27 -4.655 1.219 2.325 191 HB2 LEU 27 2HB LEU 27 -3.306 2.020 4.936 192 HB3 LEU 27 3HB LEU 27 -3.162 0.440 4.174 193 HG LEU 27 HG LEU 27 -2.166 3.054 2.969 194 HD11 LEU 27 1HD1 LEU 27 -0.861 2.434 4.941 195 HD12 LEU 27 2HD1 LEU 27 0.083 2.268 3.464 196 HD13 LEU 27 3HD1 LEU 27 -0.566 0.830 4.259 197 HD21 LEU 27 3HD2 LEU 27 -1.776 0.200 1.998 198 HD22 LEU 27 1HD2 LEU 27 -1.042 1.646 1.294 199 HD23 LEU 27 2HD2 LEU 27 -2.788 1.430 1.236 200 H ASP 28 H ASP 28 -5.509 2.555 5.530 201 HA ASP 28 HA ASP 28 -6.456 0.162 6.644 202 HB2 ASP 28 2HB ASP 28 -5.691 2.144 7.936 203 HB3 ASP 28 3HB ASP 28 -7.158 3.004 7.465 204 H THR 29 H THR 29 -8.148 2.592 4.774 205 HA THR 29 HA THR 29 -10.802 1.535 5.362 206 HB THR 29 HB THR 29 -11.590 3.445 3.911 207 HG1 THR 29 HG1 THR 29 -9.183 4.709 3.815 208 HG21 THR 29 3HG2 THR 29 -10.943 5.285 5.401 209 HG22 THR 29 1HG2 THR 29 -9.607 4.325 6.041 210 HG23 THR 29 2HG2 THR 29 -11.276 3.834 6.350 211 H ARG 30 H ARG 30 -8.580 1.803 2.567 212 HA ARG 30 HA ARG 30 -10.594 0.576 0.784 213 HB2 ARG 30 2HB ARG 30 -7.987 1.975 0.071 214 HB3 ARG 30 3HB ARG 30 -9.258 1.495 -1.054 215 HG2 ARG 30 2HG ARG 30 -10.785 3.130 -0.136 216 HG3 ARG 30 3HG ARG 30 -9.680 3.500 1.187 217 HD2 ARG 30 2HD ARG 30 -9.567 5.272 -0.440 218 HD3 ARG 30 3HD ARG 30 -8.046 4.380 -0.470 219 HE ARG 30 HE ARG 30 -8.889 3.245 -2.506 220 HH11 ARG 30 1HH1 ARG 30 -10.266 6.346 -1.632 221 HH12 ARG 30 2HH1 ARG 30 -10.723 6.742 -3.255 222 HH21 ARG 30 1HH2 ARG 30 -9.481 3.795 -4.649 223 HH22 ARG 30 2HH2 ARG 30 -10.284 5.300 -4.957 224 H ILE 31 H ILE 31 -7.180 0.158 1.751 225 HA ILE 31 HA ILE 31 -6.836 -2.094 -0.093 226 HB ILE 31 HB ILE 31 -4.810 -0.721 1.719 227 HG12 ILE 31 2HG1 ILE 31 -5.582 0.798 -0.054 228 HG13 ILE 31 3HG1 ILE 31 -3.935 0.290 -0.396 229 HG21 ILE 31 1HG2 ILE 31 -4.327 -2.801 -0.450 230 HG22 ILE 31 2HG2 ILE 31 -4.124 -3.031 1.288 231 HG23 ILE 31 3HG2 ILE 31 -3.069 -1.916 0.423 232 HD11 ILE 31 3HD1 ILE 31 -5.275 0.388 -2.407 233 HD12 ILE 31 1HD1 ILE 31 -6.429 -0.758 -1.725 234 HD13 ILE 31 2HD1 ILE 31 -4.778 -1.272 -2.079 235 H ARG 32 H ARG 32 -6.049 -1.605 3.396 236 HA ARG 32 HA ARG 32 -5.340 -4.106 4.116 237 HB2 ARG 32 2HB ARG 32 -6.860 -2.120 5.845 238 HB3 ARG 32 3HB ARG 32 -6.171 -3.612 6.469 239 HG2 ARG 32 2HG ARG 32 -3.906 -2.771 5.685 240 HG3 ARG 32 3HG ARG 32 -4.681 -1.220 5.346 241 HD2 ARG 32 2HD ARG 32 -3.617 -1.136 7.539 242 HD3 ARG 32 3HD ARG 32 -5.372 -1.095 7.763 243 HE ARG 32 HE ARG 32 -3.901 -3.650 7.962 244 HH11 ARG 32 1HH1 ARG 32 -5.858 -1.238 9.603 245 HH12 ARG 32 2HH1 ARG 32 -6.118 -2.240 10.991 246 HH21 ARG 32 1HH2 ARG 32 -4.275 -4.938 9.765 247 HH22 ARG 32 2HH2 ARG 32 -5.224 -4.337 11.089 248 HA PRO 33 HA PRO 33 -10.047 -5.414 5.272 249 HB2 PRO 33 2HB PRO 33 -11.368 -3.782 3.082 250 HB3 PRO 33 3HB PRO 33 -12.019 -4.275 4.661 251 HG2 PRO 33 2HG PRO 33 -11.217 -1.790 4.315 252 HG3 PRO 33 3HG PRO 33 -10.795 -2.647 5.820 253 HD2 PRO 33 2HD PRO 33 -9.063 -2.077 3.421 254 HD3 PRO 33 3HD PRO 33 -8.648 -2.013 5.150 255 H THR 34 H THR 34 -9.355 -4.501 1.889 256 HA THR 34 HA THR 34 -10.494 -6.718 0.598 257 HB THR 34 HB THR 34 -8.150 -5.025 -0.387 258 HG1 THR 34 HG1 THR 34 -9.511 -3.435 -0.504 259 HG21 THR 34 3HG2 THR 34 -10.321 -6.480 -1.952 260 HG22 THR 34 1HG2 THR 34 -8.634 -6.981 -1.830 261 HG23 THR 34 2HG2 THR 34 -9.046 -5.469 -2.640 262 H VAL 35 H VAL 35 -7.141 -6.079 1.605 263 HA VAL 35 HA VAL 35 -5.958 -8.461 0.603 264 HB VAL 35 HB VAL 35 -4.895 -6.791 2.941 265 HG11 VAL 35 1HG1 VAL 35 -2.668 -7.501 2.153 266 HG12 VAL 35 2HG1 VAL 35 -3.409 -8.418 0.841 267 HG13 VAL 35 3HG1 VAL 35 -3.676 -8.906 2.514 268 HG21 VAL 35 3HG2 VAL 35 -3.716 -5.376 1.296 269 HG22 VAL 35 1HG2 VAL 35 -5.461 -5.267 1.077 270 HG23 VAL 35 2HG2 VAL 35 -4.496 -6.240 -0.031 271 H GLN 36 H GLN 36 -7.382 -7.596 3.720 272 HA GLN 36 HA GLN 36 -6.623 -9.922 5.171 273 HB2 GLN 36 2HB GLN 36 -8.790 -7.858 5.669 274 HB3 GLN 36 3HB GLN 36 -8.426 -9.161 6.797 275 HG2 GLN 36 2HG GLN 36 -6.178 -8.294 7.142 276 HG3 GLN 36 3HG GLN 36 -6.431 -7.047 5.923 277 HE21 GLN 36 1HE2 GLN 36 -6.024 -5.359 7.379 278 HE22 GLN 36 2HE2 GLN 36 -7.125 -4.925 8.637 279 H GLU 37 H GLU 37 -9.446 -9.148 3.144 280 HA GLU 37 HA GLU 37 -11.011 -11.442 3.761 281 HB2 GLU 37 2HB GLU 37 -10.931 -9.771 1.217 282 HB3 GLU 37 3HB GLU 37 -12.141 -11.007 1.551 283 HG2 GLU 37 2HG GLU 37 -11.722 -8.395 3.024 284 HG3 GLU 37 3HG GLU 37 -13.078 -8.822 1.983 285 H ASP 38 H ASP 38 -8.299 -10.896 1.565 286 HA ASP 38 HA ASP 38 -8.490 -13.494 0.292 287 HB2 ASP 38 2HB ASP 38 -7.553 -11.517 -0.875 288 HB3 ASP 38 3HB ASP 38 -6.248 -11.435 0.304 289 H GLY 39 H GLY 39 -6.988 -12.163 3.133 290 HA2 GLY 39 2HA GLY 39 -6.518 -13.657 4.968 291 HA3 GLY 39 3HA GLY 39 -5.917 -14.852 3.825 292 H GLY 40 H GLY 40 -5.199 -11.414 3.770 293 HA2 GLY 40 2HA GLY 40 -2.525 -11.801 4.965 294 HA3 GLY 40 3HA GLY 40 -2.682 -11.016 3.395 295 H ASP 41 H ASP 41 -1.719 -9.132 4.325 296 HA ASP 41 HA ASP 41 -3.578 -7.114 4.924 297 HB2 ASP 41 2HB ASP 41 -3.451 -8.217 7.249 298 HB3 ASP 41 3HB ASP 41 -1.757 -7.731 7.310 299 H VAL 42 H VAL 42 -2.452 -4.977 5.258 300 HA VAL 42 HA VAL 42 0.353 -4.962 4.307 301 HB VAL 42 HB VAL 42 -0.038 -2.837 3.104 302 HG11 VAL 42 1HG1 VAL 42 -1.327 -3.698 1.185 303 HG12 VAL 42 2HG1 VAL 42 -1.981 -4.992 2.192 304 HG13 VAL 42 3HG1 VAL 42 -0.255 -4.942 1.835 305 HG21 VAL 42 3HG2 VAL 42 -1.927 -1.913 4.406 306 HG22 VAL 42 1HG2 VAL 42 -2.995 -3.166 3.766 307 HG23 VAL 42 2HG2 VAL 42 -2.311 -1.946 2.686 308 H ILE 43 H ILE 43 1.675 -4.148 5.759 309 HA ILE 43 HA ILE 43 0.673 -2.418 7.941 310 HB ILE 43 HB ILE 43 3.226 -4.113 7.794 311 HG12 ILE 43 2HG1 ILE 43 2.219 -5.253 9.859 312 HG13 ILE 43 3HG1 ILE 43 0.730 -4.372 9.556 313 HG21 ILE 43 1HG2 ILE 43 2.336 -2.246 10.032 314 HG22 ILE 43 2HG2 ILE 43 3.723 -2.015 8.966 315 HG23 ILE 43 3HG2 ILE 43 3.711 -3.353 10.113 316 HD11 ILE 43 3HD1 ILE 43 0.462 -5.551 7.444 317 HD12 ILE 43 1HD1 ILE 43 0.617 -6.668 8.798 318 HD13 ILE 43 2HD1 ILE 43 1.985 -6.405 7.717 319 H TYR 44 H TYR 44 1.083 -0.317 7.701 320 HA TYR 44 HA TYR 44 2.719 0.761 5.651 321 HB2 TYR 44 2HB TYR 44 0.689 1.904 6.495 322 HB3 TYR 44 3HB TYR 44 1.476 2.161 8.049 323 HD1 TYR 44 HD2 TYR 44 2.027 2.854 4.388 324 HD2 TYR 44 HD1 TYR 44 2.560 4.242 8.390 325 HE1 TYR 44 HE2 TYR 44 2.938 4.962 3.537 326 HE2 TYR 44 HE1 TYR 44 3.468 6.338 7.540 327 HH TYR 44 HH TYR 44 4.527 7.218 5.526 328 H LYS 45 H LYS 45 4.861 0.596 5.699 329 HA LYS 45 HA LYS 45 6.397 0.638 8.179 330 HB2 LYS 45 2HB LYS 45 7.205 0.161 5.288 331 HB3 LYS 45 3HB LYS 45 8.325 0.112 6.644 332 HG2 LYS 45 2HG LYS 45 5.892 -1.702 6.605 333 HG3 LYS 45 3HG LYS 45 7.336 -2.124 5.695 334 HD2 LYS 45 2HD LYS 45 7.685 -3.255 7.714 335 HD3 LYS 45 3HD LYS 45 8.616 -1.781 7.938 336 HE2 LYS 45 2HE LYS 45 6.550 -0.863 9.182 337 HE3 LYS 45 3HE LYS 45 5.952 -2.525 9.161 338 HZ1 LYS 45 3HZ LYS 45 7.074 -2.117 11.201 339 HZ2 LYS 45 1HZ LYS 45 8.452 -1.539 10.410 340 HZ3 LYS 45 2HZ LYS 45 8.034 -3.172 10.293 341 H GLY 46 H GLY 46 5.942 2.632 5.252 342 HA2 GLY 46 2HA GLY 46 6.154 5.067 6.487 343 HA3 GLY 46 3HA GLY 46 7.823 4.667 6.092 344 H PHE 47 H PHE 47 7.426 6.746 4.969 345 HA PHE 47 HA PHE 47 6.987 6.248 2.113 346 HB2 PHE 47 2HB PHE 47 4.884 7.334 2.823 347 HB3 PHE 47 3HB PHE 47 5.775 8.581 3.685 348 HD1 PHE 47 HD2 PHE 47 5.322 7.195 0.225 349 HD2 PHE 47 HD1 PHE 47 6.156 10.659 2.589 350 HE1 PHE 47 HE2 PHE 47 5.244 8.594 -1.790 351 HE2 PHE 47 HE1 PHE 47 6.082 12.050 0.563 352 HZ PHE 47 HZ PHE 47 5.630 11.019 -1.628 353 H GLU 48 H GLU 48 9.003 6.647 1.330 354 HA GLU 48 HA GLU 48 10.610 8.873 2.337 355 HB2 GLU 48 2HB GLU 48 10.957 6.484 3.543 356 HB3 GLU 48 3HB GLU 48 11.940 6.160 2.125 357 HG2 GLU 48 2HG GLU 48 12.353 8.480 4.034 358 HG3 GLU 48 3HG GLU 48 13.202 6.946 4.127 359 H ASP 49 H ASP 49 11.433 9.923 0.666 360 HA ASP 49 HA ASP 49 12.252 10.531 -1.338 361 HB2 ASP 49 2HB ASP 49 13.891 8.623 -0.744 362 HB3 ASP 49 3HB ASP 49 12.988 7.628 -1.875 363 H GLY 50 H GLY 50 9.463 9.600 -1.059 364 HA2 GLY 50 2HA GLY 50 7.626 9.688 -2.487 365 HA3 GLY 50 3HA GLY 50 8.689 9.494 -3.872 366 H ILE 51 H ILE 51 9.396 7.180 -1.538 367 HA ILE 51 HA ILE 51 7.900 5.087 -2.994 368 HB ILE 51 HB ILE 51 10.354 4.769 -1.212 369 HG12 ILE 51 2HG1 ILE 51 10.994 6.070 -3.200 370 HG13 ILE 51 3HG1 ILE 51 11.667 4.451 -3.318 371 HG21 ILE 51 1HG2 ILE 51 9.001 2.802 -3.091 372 HG22 ILE 51 2HG2 ILE 51 9.013 2.733 -1.328 373 HG23 ILE 51 3HG2 ILE 51 10.514 2.508 -2.227 374 HD11 ILE 51 3HD1 ILE 51 10.872 5.173 -5.460 375 HD12 ILE 51 1HD1 ILE 51 9.273 5.526 -4.804 376 HD13 ILE 51 2HD1 ILE 51 9.844 3.857 -4.888 377 H VAL 52 H VAL 52 6.083 4.515 -1.945 378 HA VAL 52 HA VAL 52 5.760 4.676 0.935 379 HB VAL 52 HB VAL 52 3.902 3.334 -1.078 380 HG11 VAL 52 1HG1 VAL 52 2.151 3.707 0.656 381 HG12 VAL 52 2HG1 VAL 52 3.376 4.362 1.744 382 HG13 VAL 52 3HG1 VAL 52 3.453 2.672 1.246 383 HG21 VAL 52 3HG2 VAL 52 3.807 6.213 -0.092 384 HG22 VAL 52 1HG2 VAL 52 2.615 5.438 -1.134 385 HG23 VAL 52 2HG2 VAL 52 4.257 5.697 -1.720 386 H GLN 53 H GLN 53 6.865 3.209 2.091 387 HA GLN 53 HA GLN 53 7.469 0.548 1.056 388 HB2 GLN 53 2HB GLN 53 8.361 2.069 3.543 389 HB3 GLN 53 3HB GLN 53 8.884 0.429 3.156 390 HG2 GLN 53 2HG GLN 53 10.008 1.184 1.150 391 HG3 GLN 53 3HG GLN 53 9.326 2.804 1.314 392 HE21 GLN 53 1HE2 GLN 53 11.368 3.733 1.270 393 HE22 GLN 53 2HE2 GLN 53 12.469 3.633 2.597 394 H LEU 54 H LEU 54 6.233 -1.132 1.537 395 HA LEU 54 HA LEU 54 4.472 -1.141 3.912 396 HB2 LEU 54 2HB LEU 54 3.727 -2.069 1.106 397 HB3 LEU 54 3HB LEU 54 2.716 -2.231 2.538 398 HG LEU 54 HG LEU 54 3.511 0.382 1.188 399 HD11 LEU 54 1HD1 LEU 54 0.822 -0.992 1.342 400 HD12 LEU 54 2HD1 LEU 54 1.852 -0.860 -0.087 401 HD13 LEU 54 3HD1 LEU 54 1.145 0.589 0.624 402 HD21 LEU 54 3HD2 LEU 54 1.996 1.487 2.784 403 HD22 LEU 54 1HD2 LEU 54 3.351 0.714 3.603 404 HD23 LEU 54 2HD2 LEU 54 1.758 -0.046 3.629 405 H LYS 55 H LYS 55 4.461 -3.011 4.995 406 HA LYS 55 HA LYS 55 5.992 -5.323 4.046 407 HB2 LYS 55 2HB LYS 55 6.297 -4.612 6.387 408 HB3 LYS 55 3HB LYS 55 4.570 -4.787 6.696 409 HG2 LYS 55 2HG LYS 55 4.768 -7.225 6.224 410 HG3 LYS 55 3HG LYS 55 6.508 -7.015 6.009 411 HD2 LYS 55 2HD LYS 55 6.724 -6.289 8.347 412 HD3 LYS 55 3HD LYS 55 4.975 -6.433 8.571 413 HE2 LYS 55 2HE LYS 55 5.120 -8.863 8.144 414 HE3 LYS 55 3HE LYS 55 6.862 -8.722 7.885 415 HZ1 LYS 55 3HZ LYS 55 6.312 -9.507 10.103 416 HZ2 LYS 55 1HZ LYS 55 5.448 -8.087 10.408 417 HZ3 LYS 55 2HZ LYS 55 7.117 -8.021 10.159 418 H LEU 56 H LEU 56 4.954 -6.969 2.980 419 HA LEU 56 HA LEU 56 2.002 -7.081 3.011 420 HB2 LEU 56 2HB LEU 56 3.941 -8.553 1.180 421 HB3 LEU 56 3HB LEU 56 2.189 -8.553 1.054 422 HG LEU 56 HG LEU 56 4.094 -6.263 0.453 423 HD11 LEU 56 1HD1 LEU 56 3.093 -6.345 -1.788 424 HD12 LEU 56 2HD1 LEU 56 2.085 -7.709 -1.296 425 HD13 LEU 56 3HD1 LEU 56 3.842 -7.880 -1.347 426 HD21 LEU 56 3HD2 LEU 56 2.221 -5.271 1.649 427 HD22 LEU 56 1HD2 LEU 56 1.067 -6.108 0.606 428 HD23 LEU 56 2HD2 LEU 56 2.123 -4.858 -0.059 429 H GLN 57 H GLN 57 0.913 -8.764 3.849 430 HA GLN 57 HA GLN 57 2.353 -10.928 5.234 431 HB2 GLN 57 2HB GLN 57 -0.548 -9.989 5.372 432 HB3 GLN 57 3HB GLN 57 0.073 -11.376 6.260 433 HG2 GLN 57 2HG GLN 57 1.075 -8.532 6.585 434 HG3 GLN 57 3HG GLN 57 -0.118 -9.304 7.630 435 HE21 GLN 57 1HE2 GLN 57 2.496 -8.228 8.333 436 HE22 GLN 57 2HE2 GLN 57 3.368 -9.523 9.063 437 H GLY 58 H GLY 58 0.877 -13.034 5.246 438 HA2 GLY 58 2HA GLY 58 1.506 -14.359 2.899 439 HA3 GLY 58 3HA GLY 58 0.456 -14.979 4.153 440 H SER 59 H SER 59 -0.044 -15.911 1.796 441 HA SER 59 HA SER 59 -1.512 -16.299 0.166 442 HB2 SER 59 2HB SER 59 -3.237 -14.097 1.370 443 HB3 SER 59 3HB SER 59 -3.763 -15.268 0.160 444 HG SER 59 HG SER 59 -4.384 -16.026 2.145 445 H CYS 60 H CYS 60 -1.634 -12.741 0.555 446 HA CYS 60 HA CYS 60 -1.444 -12.083 -2.169 447 HB2 CYS 60 2HB CYS 60 -0.706 -10.442 0.278 448 HB3 CYS 60 3HB CYS 60 -0.995 -9.800 -1.341 449 HG CYS 60 HG CYS 60 -3.549 -11.638 -0.395 450 H THR 61 H THR 61 1.084 -12.351 0.375 451 HA THR 61 HA THR 61 3.225 -11.677 -1.500 452 HB THR 61 HB THR 61 3.287 -10.951 0.933 453 HG1 THR 61 HG1 THR 61 5.597 -11.636 1.096 454 HG21 THR 61 3HG2 THR 61 2.586 -13.083 2.010 455 HG22 THR 61 1HG2 THR 61 4.145 -12.525 2.620 456 HG23 THR 61 2HG2 THR 61 4.074 -13.847 1.454 457 H SER 62 H SER 62 1.570 -14.519 -0.534 458 HA SER 62 HA SER 62 3.682 -16.432 -0.775 459 HB2 SER 62 2HB SER 62 0.669 -16.845 -0.965 460 HB3 SER 62 3HB SER 62 1.877 -18.114 -0.718 461 HG SER 62 HG SER 62 2.492 -16.912 1.206 462 H CYS 63 H CYS 63 1.191 -15.190 -2.998 463 HA CYS 63 HA CYS 63 2.311 -16.718 -5.250 464 HB2 CYS 63 2HB CYS 63 -0.197 -15.009 -5.051 465 HB3 CYS 63 3HB CYS 63 0.296 -15.931 -6.477 466 HG CYS 63 HG CYS 63 0.135 -18.411 -5.094 467 HA PRO 64 HA PRO 64 4.904 -13.110 -6.213 468 HB2 PRO 64 2HB PRO 64 5.591 -13.918 -8.813 469 HB3 PRO 64 3HB PRO 64 6.400 -14.483 -7.336 470 HG2 PRO 64 2HG PRO 64 4.211 -15.804 -8.915 471 HG3 PRO 64 3HG PRO 64 5.683 -16.521 -8.214 472 HD2 PRO 64 2HD PRO 64 3.336 -16.818 -6.978 473 HD3 PRO 64 3HD PRO 64 4.805 -16.507 -6.024 474 H SER 65 H SER 65 2.407 -14.230 -8.492 475 HA SER 65 HA SER 65 2.161 -11.884 -10.057 476 HB2 SER 65 2HB SER 65 0.013 -13.955 -9.424 477 HB3 SER 65 3HB SER 65 -0.000 -12.833 -10.786 478 HG SER 65 HG SER 65 2.258 -14.032 -11.033 479 H SER 66 H SER 66 0.532 -12.965 -7.099 480 HA SER 66 HA SER 66 -1.347 -10.857 -6.868 481 HB2 SER 66 2HB SER 66 -0.243 -12.696 -4.709 482 HB3 SER 66 3HB SER 66 -1.745 -11.771 -4.622 483 HG SER 66 HG SER 66 -2.395 -13.718 -5.291 484 H ILE 67 H ILE 67 2.010 -11.230 -5.730 485 HA ILE 67 HA ILE 67 2.207 -8.994 -4.032 486 HB ILE 67 HB ILE 67 4.325 -10.158 -5.904 487 HG12 ILE 67 2HG1 ILE 67 3.859 -10.712 -2.931 488 HG13 ILE 67 3HG1 ILE 67 3.426 -11.801 -4.244 489 HG21 ILE 67 1HG2 ILE 67 4.714 -8.306 -3.514 490 HG22 ILE 67 2HG2 ILE 67 4.958 -7.891 -5.212 491 HG23 ILE 67 3HG2 ILE 67 6.008 -9.074 -4.441 492 HD11 ILE 67 3HD1 ILE 67 5.801 -12.053 -4.811 493 HD12 ILE 67 1HD1 ILE 67 5.463 -12.507 -3.141 494 HD13 ILE 67 2HD1 ILE 67 6.228 -10.959 -3.492 495 H ILE 68 H ILE 68 2.780 -9.305 -7.542 496 HA ILE 68 HA ILE 68 3.527 -6.603 -8.007 497 HB ILE 68 HB ILE 68 2.427 -8.641 -10.008 498 HG12 ILE 68 2HG1 ILE 68 5.327 -8.003 -9.259 499 HG13 ILE 68 3HG1 ILE 68 4.457 -9.473 -8.840 500 HG21 ILE 68 1HG2 ILE 68 3.560 -7.288 -11.755 501 HG22 ILE 68 2HG2 ILE 68 4.024 -6.095 -10.538 502 HG23 ILE 68 3HG2 ILE 68 2.321 -6.353 -10.918 503 HD11 ILE 68 3HD1 ILE 68 5.256 -8.596 -11.619 504 HD12 ILE 68 1HD1 ILE 68 4.325 -10.050 -11.243 505 HD13 ILE 68 2HD1 ILE 68 5.980 -9.884 -10.660 506 H THR 69 H THR 69 0.441 -8.339 -8.363 507 HA THR 69 HA THR 69 -1.090 -6.270 -9.507 508 HB THR 69 HB THR 69 -2.116 -8.564 -7.767 509 HG1 THR 69 HG1 THR 69 -1.560 -9.831 -9.332 510 HG21 THR 69 3HG2 THR 69 -3.852 -6.863 -8.291 511 HG22 THR 69 1HG2 THR 69 -4.178 -8.388 -9.113 512 HG23 THR 69 2HG2 THR 69 -3.496 -7.031 -10.014 513 H LEU 70 H LEU 70 -0.654 -7.282 -6.100 514 HA LEU 70 HA LEU 70 -2.472 -5.426 -4.971 515 HB2 LEU 70 2HB LEU 70 -1.698 -7.464 -3.784 516 HB3 LEU 70 3HB LEU 70 -0.085 -6.784 -3.663 517 HG LEU 70 HG LEU 70 -0.929 -4.976 -2.198 518 HD11 LEU 70 1HD1 LEU 70 -3.226 -4.994 -1.313 519 HD12 LEU 70 2HD1 LEU 70 -3.641 -6.317 -2.408 520 HD13 LEU 70 3HD1 LEU 70 -3.194 -4.738 -3.057 521 HD21 LEU 70 3HD2 LEU 70 -1.416 -6.304 -0.198 522 HD22 LEU 70 1HD2 LEU 70 -0.112 -7.022 -1.141 523 HD23 LEU 70 2HD2 LEU 70 -1.731 -7.725 -1.199 524 H LYS 71 H LYS 71 1.079 -5.383 -5.286 525 HA LYS 71 HA LYS 71 1.649 -2.946 -4.077 526 HB2 LYS 71 2HB LYS 71 3.310 -4.702 -4.683 527 HB3 LYS 71 3HB LYS 71 3.121 -4.300 -6.378 528 HG2 LYS 71 2HG LYS 71 4.085 -2.215 -4.408 529 HG3 LYS 71 3HG LYS 71 5.200 -3.429 -5.030 530 HD2 LYS 71 2HD LYS 71 3.639 -1.412 -6.710 531 HD3 LYS 71 3HD LYS 71 5.353 -1.312 -6.304 532 HE2 LYS 71 2HE LYS 71 5.756 -3.398 -7.579 533 HE3 LYS 71 3HE LYS 71 4.044 -3.479 -7.991 534 HZ1 LYS 71 3HZ LYS 71 4.266 -1.399 -9.159 535 HZ2 LYS 71 1HZ LYS 71 5.344 -2.548 -9.769 536 HZ3 LYS 71 2HZ LYS 71 5.906 -1.313 -8.758 537 H ASN 72 H ASN 72 0.877 -3.646 -7.473 538 HA ASN 72 HA ASN 72 1.150 -0.987 -8.454 539 HB2 ASN 72 2HB ASN 72 -0.115 -3.496 -9.575 540 HB3 ASN 72 3HB ASN 72 -0.245 -1.972 -10.438 541 HD21 ASN 72 1HD2 ASN 72 1.095 -4.464 -11.201 542 HD22 ASN 72 2HD2 ASN 72 2.742 -4.038 -11.516 543 H GLY 73 H GLY 73 -1.633 -2.846 -7.268 544 HA2 GLY 73 2HA GLY 73 -3.700 -1.051 -7.972 545 HA3 GLY 73 3HA GLY 73 -3.769 -2.248 -6.683 546 H ILE 74 H ILE 74 -1.874 -1.460 -4.961 547 HA ILE 74 HA ILE 74 -2.974 0.647 -3.447 548 HB ILE 74 HB ILE 74 -0.143 -0.514 -3.299 549 HG12 ILE 74 2HG1 ILE 74 -2.581 -1.309 -1.631 550 HG13 ILE 74 3HG1 ILE 74 -1.985 -2.226 -3.009 551 HG21 ILE 74 1HG2 ILE 74 -1.694 1.082 -1.215 552 HG22 ILE 74 2HG2 ILE 74 -0.279 1.627 -2.116 553 HG23 ILE 74 3HG2 ILE 74 -0.126 0.317 -0.954 554 HD11 ILE 74 3HD1 ILE 74 -1.261 -3.227 -0.934 555 HD12 ILE 74 1HD1 ILE 74 -0.496 -1.721 -0.430 556 HD13 ILE 74 2HD1 ILE 74 0.136 -2.614 -1.817 557 H GLN 75 H GLN 75 -0.143 0.440 -5.568 558 HA GLN 75 HA GLN 75 0.998 2.941 -5.166 559 HB2 GLN 75 2HB GLN 75 2.180 1.122 -6.294 560 HB3 GLN 75 3HB GLN 75 1.042 1.168 -7.635 561 HG2 GLN 75 2HG GLN 75 1.862 3.358 -8.317 562 HG3 GLN 75 3HG GLN 75 2.914 3.440 -6.903 563 HE21 GLN 75 1HE2 GLN 75 4.694 3.756 -8.266 564 HE22 GLN 75 2HE2 GLN 75 5.403 2.460 -9.157 565 H ASN 76 H ASN 76 -1.218 1.945 -7.772 566 HA ASN 76 HA ASN 76 -1.398 4.449 -9.056 567 HB2 ASN 76 2HB ASN 76 -3.237 2.023 -9.128 568 HB3 ASN 76 3HB ASN 76 -3.485 3.441 -10.139 569 HD21 ASN 76 1HD2 ASN 76 -0.260 2.131 -9.433 570 HD22 ASN 76 2HD2 ASN 76 0.037 1.560 -11.023 571 H MET 77 H MET 77 -3.363 2.927 -6.518 572 HA MET 77 HA MET 77 -5.465 4.812 -6.355 573 HB2 MET 77 2HB MET 77 -5.489 2.581 -5.241 574 HB3 MET 77 3HB MET 77 -4.234 3.121 -4.135 575 HG2 MET 77 2HG MET 77 -5.950 4.989 -3.485 576 HG3 MET 77 3HG MET 77 -7.133 3.922 -4.241 577 HE1 MET 77 3HE MET 77 -3.877 2.998 -2.171 578 HE2 MET 77 1HE MET 77 -4.578 2.811 -0.564 579 HE3 MET 77 2HE MET 77 -4.560 4.397 -1.337 580 H LEU 78 H LEU 78 -2.385 4.586 -4.570 581 HA LEU 78 HA LEU 78 -2.672 6.913 -2.982 582 HB2 LEU 78 2HB LEU 78 -0.214 5.327 -3.795 583 HB3 LEU 78 3HB LEU 78 -0.158 6.666 -2.656 584 HG LEU 78 HG LEU 78 -1.717 4.082 -2.244 585 HD11 LEU 78 1HD1 LEU 78 0.858 4.980 -0.934 586 HD12 LEU 78 2HD1 LEU 78 0.697 3.702 -2.144 587 HD13 LEU 78 3HD1 LEU 78 -0.056 3.517 -0.562 588 HD21 LEU 78 3HD2 LEU 78 -2.059 4.872 0.065 589 HD22 LEU 78 1HD2 LEU 78 -2.794 5.967 -1.105 590 HD23 LEU 78 2HD2 LEU 78 -1.267 6.400 -0.332 591 H GLN 79 H GLN 79 -1.222 6.340 -6.166 592 HA GLN 79 HA GLN 79 0.087 8.853 -6.442 593 HB2 GLN 79 2HB GLN 79 -0.733 6.776 -8.502 594 HB3 GLN 79 3HB GLN 79 0.160 8.239 -8.926 595 HG2 GLN 79 2HG GLN 79 1.995 7.552 -7.446 596 HG3 GLN 79 3HG GLN 79 1.100 6.109 -6.990 597 HE21 GLN 79 1HE2 GLN 79 3.748 6.385 -8.222 598 HE22 GLN 79 2HE2 GLN 79 3.688 5.478 -9.692 599 H PHE 80 H PHE 80 -3.157 7.722 -7.087 600 HA PHE 80 HA PHE 80 -4.086 9.725 -8.829 601 HB2 PHE 80 2HB PHE 80 -5.278 7.582 -8.354 602 HB3 PHE 80 3HB PHE 80 -5.655 8.152 -6.733 603 HD1 PHE 80 HD1 PHE 80 -6.350 8.701 -10.358 604 HD2 PHE 80 HD2 PHE 80 -7.546 9.656 -6.354 605 HE1 PHE 80 HE1 PHE 80 -8.419 9.723 -11.210 606 HE2 PHE 80 HE2 PHE 80 -9.607 10.673 -7.221 607 HZ PHE 80 HZ PHE 80 -10.050 10.709 -9.645 608 H TYR 81 H TYR 81 -4.146 9.526 -5.271 609 HA TYR 81 HA TYR 81 -5.265 12.214 -4.966 610 HB2 TYR 81 2HB TYR 81 -4.449 10.133 -2.897 611 HB3 TYR 81 3HB TYR 81 -5.232 11.665 -2.520 612 HD1 TYR 81 HD1 TYR 81 -7.562 12.094 -3.598 613 HD2 TYR 81 HD2 TYR 81 -5.798 8.205 -3.328 614 HE1 TYR 81 HE1 TYR 81 -9.775 11.073 -3.867 615 HE2 TYR 81 HE2 TYR 81 -8.012 7.184 -3.605 616 HH TYR 81 HH TYR 81 -10.736 8.926 -4.636 617 H ILE 82 H ILE 82 -2.183 10.608 -4.823 618 HA ILE 82 HA ILE 82 -0.797 12.969 -3.700 619 HB ILE 82 HB ILE 82 -0.169 10.068 -2.950 620 HG12 ILE 82 2HG1 ILE 82 -1.480 12.150 -1.132 621 HG13 ILE 82 3HG1 ILE 82 -2.362 10.869 -1.956 622 HG21 ILE 82 1HG2 ILE 82 1.795 11.524 -2.892 623 HG22 ILE 82 2HG2 ILE 82 1.347 11.039 -1.259 624 HG23 ILE 82 3HG2 ILE 82 0.959 12.664 -1.834 625 HD11 ILE 82 3HD1 ILE 82 -1.982 10.255 0.323 626 HD12 ILE 82 1HD1 ILE 82 -0.248 10.526 0.159 627 HD13 ILE 82 2HD1 ILE 82 -1.021 9.201 -0.714 628 HA PRO 83 HA PRO 83 1.350 11.665 -7.623 629 HB2 PRO 83 2HB PRO 83 2.177 14.180 -8.363 630 HB3 PRO 83 3HB PRO 83 0.537 13.577 -8.691 631 HG2 PRO 83 2HG PRO 83 1.472 15.372 -6.465 632 HG3 PRO 83 3HG PRO 83 0.028 15.512 -7.495 633 HD2 PRO 83 2HD PRO 83 -0.090 14.485 -4.977 634 HD3 PRO 83 3HD PRO 83 -1.171 13.932 -6.276 635 H GLU 84 H GLU 84 2.367 12.899 -4.642 636 HA GLU 84 HA GLU 84 5.192 13.101 -5.022 637 HB2 GLU 84 2HB GLU 84 3.515 12.562 -2.533 638 HB3 GLU 84 3HB GLU 84 5.259 12.762 -2.490 639 HG2 GLU 84 2HG GLU 84 4.129 14.815 -1.809 640 HG3 GLU 84 3HG GLU 84 5.067 15.059 -3.279 641 H VAL 85 H VAL 85 2.953 10.455 -4.465 642 HA VAL 85 HA VAL 85 4.886 8.402 -3.939 643 HB VAL 85 HB VAL 85 2.040 8.140 -5.037 644 HG11 VAL 85 1HG1 VAL 85 3.823 5.999 -3.782 645 HG12 VAL 85 2HG1 VAL 85 3.369 6.098 -5.485 646 HG13 VAL 85 3HG1 VAL 85 2.136 5.785 -4.265 647 HG21 VAL 85 3HG2 VAL 85 1.371 7.634 -2.708 648 HG22 VAL 85 1HG2 VAL 85 2.071 9.247 -2.825 649 HG23 VAL 85 2HG2 VAL 85 3.020 7.921 -2.153 650 H GLU 86 H GLU 86 6.468 8.209 -5.434 651 HA GLU 86 HA GLU 86 5.895 8.008 -8.297 652 HB2 GLU 86 2HB GLU 86 8.532 7.731 -6.793 653 HB3 GLU 86 3HB GLU 86 8.341 7.846 -8.547 654 HG2 GLU 86 2HG GLU 86 7.399 10.123 -8.274 655 HG3 GLU 86 3HG GLU 86 7.649 10.016 -6.531 656 H GLY 87 H GLY 87 6.665 6.010 -5.503 657 HA2 GLY 87 2HA GLY 87 6.084 3.572 -7.012 658 HA3 GLY 87 3HA GLY 87 7.706 3.709 -6.340 659 H VAL 88 H VAL 88 6.100 1.674 -5.672 660 HA VAL 88 HA VAL 88 5.786 2.033 -2.759 661 HB VAL 88 HB VAL 88 3.879 0.463 -4.577 662 HG11 VAL 88 1HG1 VAL 88 4.332 -0.919 -2.584 663 HG12 VAL 88 2HG1 VAL 88 2.691 -0.280 -2.507 664 HG13 VAL 88 3HG1 VAL 88 3.967 0.443 -1.521 665 HG21 VAL 88 3HG2 VAL 88 3.344 2.758 -2.641 666 HG22 VAL 88 1HG2 VAL 88 2.113 1.897 -3.566 667 HG23 VAL 88 2HG2 VAL 88 3.332 2.860 -4.399 668 H GLU 89 H GLU 89 6.722 0.330 -1.590 669 HA GLU 89 HA GLU 89 8.261 -1.663 -3.168 670 HB2 GLU 89 2HB GLU 89 9.676 0.267 -2.514 671 HB3 GLU 89 3HB GLU 89 9.258 0.018 -0.823 672 HG2 GLU 89 2HG GLU 89 10.422 -2.142 -0.838 673 HG3 GLU 89 3HG GLU 89 10.773 -1.955 -2.558 674 H GLN 90 H GLN 90 8.100 -3.687 -2.443 675 HA GLN 90 HA GLN 90 6.650 -4.328 0.001 676 HB2 GLN 90 2HB GLN 90 6.245 -5.698 -2.027 677 HB3 GLN 90 3HB GLN 90 7.950 -6.140 -2.082 678 HG2 GLN 90 2HG GLN 90 7.635 -7.213 0.203 679 HG3 GLN 90 3HG GLN 90 5.905 -6.939 0.011 680 HE21 GLN 90 1HE2 GLN 90 5.391 -9.118 0.017 681 HE22 GLN 90 2HE2 GLN 90 5.812 -10.197 -1.262 682 H VAL 91 H VAL 91 7.824 -4.092 1.822 683 HA VAL 91 HA VAL 91 10.580 -5.165 1.974 684 HB VAL 91 HB VAL 91 10.738 -3.667 4.090 685 HG11 VAL 91 1HG1 VAL 91 11.924 -3.105 2.002 686 HG12 VAL 91 2HG1 VAL 91 11.322 -1.642 2.786 687 HG13 VAL 91 3HG1 VAL 91 10.478 -2.300 1.382 688 HG21 VAL 91 3HG2 VAL 91 9.254 -1.670 4.160 689 HG22 VAL 91 1HG2 VAL 91 8.331 -3.159 4.379 690 HG23 VAL 91 2HG2 VAL 91 8.304 -2.326 2.824 691 H MET 92 H MET 92 10.473 -7.189 2.750 692 HA MET 92 HA MET 92 8.467 -8.052 4.665 693 HB2 MET 92 2HB MET 92 9.702 -10.249 4.605 694 HB3 MET 92 3HB MET 92 9.181 -9.686 3.026 695 HG2 MET 92 2HG MET 92 11.523 -8.886 2.605 696 HG3 MET 92 3HG MET 92 11.999 -9.618 4.136 697 HE1 MET 92 3HE MET 92 10.570 -11.995 0.417 698 HE2 MET 92 1HE MET 92 10.843 -10.253 0.427 699 HE3 MET 92 2HE MET 92 9.486 -10.938 1.323 700 H ASP 93 H ASP 93 8.764 -6.659 6.358 701 HA ASP 93 HA ASP 93 11.373 -6.480 7.720 702 HB2 ASP 93 2HB ASP 93 10.268 -4.362 7.084 703 HB3 ASP 93 3HB ASP 93 8.823 -4.819 7.981 704 H ASP 94 H ASP 94 11.385 -8.441 8.788 705 HA ASP 94 HA ASP 94 9.895 -8.531 11.271 706 HB2 ASP 94 2HB ASP 94 8.428 -9.674 9.457 707 HB3 ASP 94 3HB ASP 94 9.644 -10.947 9.434 708 H GLU 95 H GLU 95 11.429 -8.962 12.689 709 HA GLU 95 HA GLU 95 14.038 -9.819 11.829 710 HB2 GLU 95 2HB GLU 95 14.777 -9.219 14.121 711 HB3 GLU 95 3HB GLU 95 13.909 -7.914 13.324 712 HG2 GLU 95 2HG GLU 95 12.538 -9.767 15.304 713 HG3 GLU 95 3HG GLU 95 13.449 -8.357 15.833 714 H SER 96 H SER 96 11.540 -11.800 12.462 715 HA SER 96 HA SER 96 12.779 -13.773 14.147 716 HB2 SER 96 2HB SER 96 10.990 -15.267 13.443 717 HB3 SER 96 3HB SER 96 10.290 -13.671 13.707 718 HG SER 96 HG SER 96 9.511 -14.022 11.792 719 H ASP 97 H ASP 97 12.849 -12.982 10.747 720 HA ASP 97 HA ASP 97 14.362 -15.293 9.898 721 HB2 ASP 97 2HB ASP 97 12.939 -14.104 8.269 722 HB3 ASP 97 3HB ASP 97 13.833 -12.608 8.516 Start of MODEL 2 1 H1 MET 1 1H MET 1 6.722 42.760 1.010 2 H2 MET 1 2H MET 1 5.723 43.561 2.115 3 H3 MET 1 3H MET 1 6.746 44.444 1.101 4 HA MET 1 HA MET 1 4.493 44.570 0.339 5 HB2 MET 1 2HB MET 1 6.228 42.868 -1.506 6 HB3 MET 1 3HB MET 1 4.857 43.849 -2.010 7 HG2 MET 1 2HG MET 1 6.882 45.018 -2.571 8 HG3 MET 1 3HG MET 1 6.102 45.880 -1.240 9 HE1 MET 1 3HE MET 1 9.919 46.414 -0.469 10 HE2 MET 1 1HE MET 1 8.357 47.211 -0.647 11 HE3 MET 1 2HE MET 1 9.109 46.426 -2.036 12 H GLY 2 H GLY 2 2.714 43.563 1.078 13 HA2 GLY 2 2HA GLY 2 2.433 40.710 1.341 14 HA3 GLY 2 3HA GLY 2 1.199 41.933 1.610 15 H HIS 3 H HIS 3 2.552 39.711 -0.666 16 HA HIS 3 HA HIS 3 0.974 40.474 -2.960 17 HB2 HIS 3 2HB HIS 3 2.506 37.924 -2.292 18 HB3 HIS 3 3HB HIS 3 1.646 38.155 -3.808 19 HD1 HIS 3 HD1 HIS 3 3.254 38.648 -5.591 20 HD2 HIS 3 HD2 HIS 3 4.402 40.402 -2.009 21 HE1 HIS 3 HE1 HIS 3 5.407 39.826 -6.076 22 HE2 HIS 3 HE2 HIS 3 5.958 41.044 -3.949 23 H HIS 4 H HIS 4 -1.178 40.275 -2.992 24 HA HIS 4 HA HIS 4 -2.612 39.176 -0.826 25 HB2 HIS 4 2HB HIS 4 -3.383 41.177 -2.043 26 HB3 HIS 4 3HB HIS 4 -3.656 40.217 -3.493 27 HD1 HIS 4 HD1 HIS 4 -5.994 39.425 -3.788 28 HD2 HIS 4 HD2 HIS 4 -5.156 40.240 0.199 29 HE1 HIS 4 HE1 HIS 4 -8.153 39.085 -2.566 30 HE2 HIS 4 HE2 HIS 4 -7.657 39.724 -0.183 31 H HIS 5 H HIS 5 -2.015 37.910 -4.099 32 HA HIS 5 HA HIS 5 -3.727 35.569 -3.579 33 HB2 HIS 5 2HB HIS 5 -3.832 36.775 -5.813 34 HB3 HIS 5 3HB HIS 5 -2.196 36.218 -6.137 35 HD1 HIS 5 HD1 HIS 5 -5.705 35.250 -6.459 36 HD2 HIS 5 HD2 HIS 5 -2.044 33.278 -6.387 37 HE1 HIS 5 HE1 HIS 5 -6.148 32.961 -7.389 38 HE2 HIS 5 HE2 HIS 5 -3.910 31.822 -7.396 39 H HIS 6 H HIS 6 -0.572 35.741 -5.247 40 HA HIS 6 HA HIS 6 0.202 33.179 -4.056 41 HB2 HIS 6 2HB HIS 6 0.295 33.450 -6.536 42 HB3 HIS 6 3HB HIS 6 1.427 34.785 -6.358 43 HD1 HIS 6 HD1 HIS 6 1.293 31.144 -6.761 44 HD2 HIS 6 HD2 HIS 6 4.056 33.889 -5.310 45 HE1 HIS 6 HE1 HIS 6 3.502 29.965 -6.759 46 HE2 HIS 6 HE2 HIS 6 5.143 31.626 -5.844 47 H HIS 7 H HIS 7 1.300 33.337 -2.184 48 HA HIS 7 HA HIS 7 3.829 34.769 -2.135 49 HB2 HIS 7 2HB HIS 7 3.426 35.852 0.061 50 HB3 HIS 7 3HB HIS 7 2.303 36.459 -1.149 51 HD1 HIS 7 HD1 HIS 7 2.400 35.181 2.232 52 HD2 HIS 7 HD2 HIS 7 -0.401 35.164 -0.838 53 HE1 HIS 7 HE1 HIS 7 0.190 34.755 3.334 54 HE2 HIS 7 HE2 HIS 7 -1.486 34.780 1.460 55 H HIS 8 H HIS 8 5.335 33.495 -1.154 56 HA HIS 8 HA HIS 8 4.573 30.906 -0.190 57 HB2 HIS 8 2HB HIS 8 6.942 30.415 0.034 58 HB3 HIS 8 3HB HIS 8 6.667 31.208 -1.504 59 HD1 HIS 8 HD1 HIS 8 7.735 33.581 -1.822 60 HD2 HIS 8 HD2 HIS 8 8.666 31.754 1.789 61 HE1 HIS 8 HE1 HIS 8 9.621 34.913 -0.844 62 HE2 HIS 8 HE2 HIS 8 10.143 33.809 1.343 63 H SER 9 H SER 9 3.659 30.716 1.756 64 HA SER 9 HA SER 9 4.301 32.406 4.021 65 HB2 SER 9 2HB SER 9 2.013 31.459 3.671 66 HB3 SER 9 3HB SER 9 2.657 29.834 3.924 67 HG SER 9 HG SER 9 2.540 30.178 5.988 68 H HIS 10 H HIS 10 5.058 29.175 2.884 69 HA HIS 10 HA HIS 10 7.394 28.974 4.658 70 HB2 HIS 10 2HB HIS 10 5.609 27.668 5.796 71 HB3 HIS 10 3HB HIS 10 5.259 26.797 4.304 72 HD1 HIS 10 HD1 HIS 10 7.754 26.972 7.128 73 HD2 HIS 10 HD2 HIS 10 7.033 24.655 3.756 74 HE1 HIS 10 HE1 HIS 10 9.214 24.951 7.355 75 HE2 HIS 10 HE2 HIS 10 8.615 23.490 5.413 76 H MET 11 H MET 11 8.782 29.304 2.939 77 HA MET 11 HA MET 11 8.645 27.800 0.479 78 HB2 MET 11 2HB MET 11 9.672 30.056 0.540 79 HB3 MET 11 3HB MET 11 10.913 29.476 1.639 80 HG2 MET 11 2HG MET 11 11.796 28.000 -0.115 81 HG3 MET 11 3HG MET 11 10.531 28.545 -1.223 82 HE1 MET 11 3HE MET 11 13.973 30.227 -2.465 83 HE2 MET 11 1HE MET 11 12.732 29.054 -2.900 84 HE3 MET 11 2HE MET 11 13.882 28.687 -1.610 85 H GLY 12 H GLY 12 8.475 25.722 1.294 86 HA2 GLY 12 2HA GLY 12 10.936 24.268 1.738 87 HA3 GLY 12 3HA GLY 12 9.839 24.263 3.124 88 H SER 13 H SER 13 10.336 21.842 2.078 89 HA SER 13 HA SER 13 7.963 21.053 0.570 90 HB2 SER 13 2HB SER 13 9.663 21.896 -1.129 91 HB3 SER 13 3HB SER 13 10.750 20.603 -0.624 92 HG SER 13 HG SER 13 9.161 19.112 -1.277 93 H GLU 14 H GLU 14 9.121 20.418 3.216 94 HA GLU 14 HA GLU 14 10.440 17.879 3.197 95 HB2 GLU 14 2HB GLU 14 8.791 18.871 5.569 96 HB3 GLU 14 3HB GLU 14 10.191 17.810 5.584 97 HG2 GLU 14 2HG GLU 14 11.112 19.773 6.401 98 HG3 GLU 14 3HG GLU 14 11.476 19.920 4.682 99 H GLU 15 H GLU 15 9.610 15.808 3.543 100 HA GLU 15 HA GLU 15 6.974 15.224 2.599 101 HB2 GLU 15 2HB GLU 15 7.503 12.846 2.961 102 HB3 GLU 15 3HB GLU 15 8.833 13.643 2.148 103 HG2 GLU 15 2HG GLU 15 8.777 12.937 5.097 104 HG3 GLU 15 3HG GLU 15 9.532 11.948 3.854 105 H ASP 16 H ASP 16 5.610 16.376 3.972 106 HA ASP 16 HA ASP 16 5.849 16.307 6.840 107 HB2 ASP 16 2HB ASP 16 4.036 17.955 6.840 108 HB3 ASP 16 3HB ASP 16 5.187 18.370 5.576 109 H ASP 17 H ASP 17 3.885 16.012 8.170 110 HA ASP 17 HA ASP 17 3.117 13.299 8.139 111 HB2 ASP 17 2HB ASP 17 1.878 13.833 10.199 112 HB3 ASP 17 3HB ASP 17 3.468 14.590 10.221 113 H GLY 18 H GLY 18 1.673 16.059 6.640 114 HA2 GLY 18 2HA GLY 18 -1.057 15.288 6.504 115 HA3 GLY 18 3HA GLY 18 -0.212 16.322 5.364 116 H VAL 19 H VAL 19 1.682 14.692 4.310 117 HA VAL 19 HA VAL 19 0.340 13.070 2.415 118 HB VAL 19 HB VAL 19 3.305 13.029 3.155 119 HG11 VAL 19 1HG1 VAL 19 2.686 11.039 1.835 120 HG12 VAL 19 2HG1 VAL 19 3.682 12.131 0.870 121 HG13 VAL 19 3HG1 VAL 19 1.938 12.067 0.610 122 HG21 VAL 19 3HG2 VAL 19 3.624 14.606 1.275 123 HG22 VAL 19 1HG2 VAL 19 2.589 15.291 2.533 124 HG23 VAL 19 2HG2 VAL 19 1.876 14.673 1.040 125 H VAL 20 H VAL 20 2.353 12.261 5.232 126 HA VAL 20 HA VAL 20 2.421 9.467 4.944 127 HB VAL 20 HB VAL 20 2.780 11.163 7.466 128 HG11 VAL 20 1HG1 VAL 20 3.654 8.287 6.950 129 HG12 VAL 20 2HG1 VAL 20 2.415 8.810 8.092 130 HG13 VAL 20 3HG1 VAL 20 4.102 9.249 8.362 131 HG21 VAL 20 3HG2 VAL 20 5.209 11.048 6.939 132 HG22 VAL 20 1HG2 VAL 20 4.306 11.825 5.636 133 HG23 VAL 20 2HG2 VAL 20 4.847 10.153 5.461 134 H ALA 21 H ALA 21 0.232 11.557 6.807 135 HA ALA 21 HA ALA 21 -1.167 9.505 8.201 136 HB1 ALA 21 3HB ALA 21 -1.111 11.831 9.021 137 HB2 ALA 21 1HB ALA 21 -2.771 11.268 8.824 138 HB3 ALA 21 2HB ALA 21 -2.059 12.360 7.631 139 H MET 22 H MET 22 -1.882 11.322 5.181 140 HA MET 22 HA MET 22 -4.457 10.118 4.844 141 HB2 MET 22 2HB MET 22 -4.585 11.160 2.671 142 HB3 MET 22 3HB MET 22 -3.946 12.314 3.826 143 HG2 MET 22 2HG MET 22 -1.695 11.981 2.930 144 HG3 MET 22 3HG MET 22 -2.318 10.798 1.781 145 HE1 MET 22 3HE MET 22 -4.645 13.085 -0.457 146 HE2 MET 22 1HE MET 22 -5.146 12.206 0.987 147 HE3 MET 22 2HE MET 22 -4.068 11.441 -0.184 148 H ILE 23 H ILE 23 -1.185 9.221 3.769 149 HA ILE 23 HA ILE 23 -1.930 7.117 2.016 150 HB ILE 23 HB ILE 23 0.575 7.269 3.779 151 HG12 ILE 23 2HG1 ILE 23 0.230 7.983 0.828 152 HG13 ILE 23 3HG1 ILE 23 0.419 9.142 2.133 153 HG21 ILE 23 1HG2 ILE 23 0.133 4.948 3.085 154 HG22 ILE 23 2HG2 ILE 23 1.544 5.575 2.234 155 HG23 ILE 23 3HG2 ILE 23 -0.006 5.457 1.400 156 HD11 ILE 23 3HD1 ILE 23 2.683 8.298 2.550 157 HD12 ILE 23 1HD1 ILE 23 2.480 8.880 0.898 158 HD13 ILE 23 2HD1 ILE 23 2.494 7.147 1.222 159 H LYS 24 H LYS 24 -1.265 7.188 5.548 160 HA LYS 24 HA LYS 24 -1.556 4.511 6.190 161 HB2 LYS 24 2HB LYS 24 -2.260 6.962 7.843 162 HB3 LYS 24 3HB LYS 24 -2.301 5.329 8.500 163 HG2 LYS 24 2HG LYS 24 0.121 5.097 7.975 164 HG3 LYS 24 3HG LYS 24 0.139 6.783 7.441 165 HD2 LYS 24 2HD LYS 24 -0.568 7.502 9.715 166 HD3 LYS 24 3HD LYS 24 -0.587 5.816 10.241 167 HE2 LYS 24 2HE LYS 24 1.855 5.679 9.763 168 HE3 LYS 24 3HE LYS 24 1.837 7.391 9.323 169 HZ1 LYS 24 3HZ LYS 24 2.584 7.019 11.601 170 HZ2 LYS 24 1HZ LYS 24 1.102 6.303 11.990 171 HZ3 LYS 24 2HZ LYS 24 1.165 7.938 11.560 172 H GLU 25 H GLU 25 -4.099 7.027 5.993 173 HA GLU 25 HA GLU 25 -6.172 5.284 6.928 174 HB2 GLU 25 2HB GLU 25 -7.674 7.085 6.734 175 HB3 GLU 25 3HB GLU 25 -6.147 7.852 7.151 176 HG2 GLU 25 2HG GLU 25 -5.841 8.434 4.739 177 HG3 GLU 25 3HG GLU 25 -7.423 7.718 4.396 178 H LEU 26 H LEU 26 -5.122 6.411 3.669 179 HA LEU 26 HA LEU 26 -7.278 5.376 2.160 180 HB2 LEU 26 2HB LEU 26 -4.375 5.863 1.379 181 HB3 LEU 26 3HB LEU 26 -5.589 5.347 0.219 182 HG LEU 26 HG LEU 26 -5.657 7.968 1.773 183 HD11 LEU 26 1HD1 LEU 26 -3.866 7.950 0.106 184 HD12 LEU 26 2HD1 LEU 26 -5.156 9.053 -0.363 185 HD13 LEU 26 3HD1 LEU 26 -5.014 7.479 -1.152 186 HD21 LEU 26 3HD2 LEU 26 -7.915 7.182 1.293 187 HD22 LEU 26 1HD2 LEU 26 -7.509 6.974 -0.413 188 HD23 LEU 26 2HD2 LEU 26 -7.526 8.586 0.307 189 H LEU 27 H LEU 27 -4.286 3.887 3.288 190 HA LEU 27 HA LEU 27 -4.679 1.339 2.044 191 HB2 LEU 27 2HB LEU 27 -3.047 2.099 4.500 192 HB3 LEU 27 3HB LEU 27 -2.940 0.561 3.656 193 HG LEU 27 HG LEU 27 -2.243 3.241 2.394 194 HD11 LEU 27 1HD1 LEU 27 -0.382 1.154 3.531 195 HD12 LEU 27 2HD1 LEU 27 -0.701 2.756 4.203 196 HD13 LEU 27 3HD1 LEU 27 0.095 2.602 2.639 197 HD21 LEU 27 3HD2 LEU 27 -1.234 1.915 0.598 198 HD22 LEU 27 1HD2 LEU 27 -2.953 1.552 0.753 199 HD23 LEU 27 2HD2 LEU 27 -1.753 0.422 1.384 200 H ASP 28 H ASP 28 -5.319 2.639 5.311 201 HA ASP 28 HA ASP 28 -6.061 0.156 6.474 202 HB2 ASP 28 2HB ASP 28 -5.126 2.108 7.733 203 HB3 ASP 28 3HB ASP 28 -6.637 2.969 7.487 204 H THR 29 H THR 29 -7.895 2.510 4.708 205 HA THR 29 HA THR 29 -10.496 1.467 5.603 206 HB THR 29 HB THR 29 -11.414 3.390 4.245 207 HG1 THR 29 HG1 THR 29 -9.104 4.761 3.998 208 HG21 THR 29 3HG2 THR 29 -10.655 5.185 5.752 209 HG22 THR 29 1HG2 THR 29 -9.290 4.188 6.257 210 HG23 THR 29 2HG2 THR 29 -10.938 3.695 6.657 211 H ARG 30 H ARG 30 -8.497 1.650 2.652 212 HA ARG 30 HA ARG 30 -10.636 0.400 1.047 213 HB2 ARG 30 2HB ARG 30 -7.985 1.587 0.116 214 HB3 ARG 30 3HB ARG 30 -9.339 1.106 -0.909 215 HG2 ARG 30 2HG ARG 30 -10.718 2.897 -0.025 216 HG3 ARG 30 3HG ARG 30 -9.482 3.314 1.166 217 HD2 ARG 30 2HD ARG 30 -7.939 3.895 -0.720 218 HD3 ARG 30 3HD ARG 30 -9.266 3.599 -1.848 219 HE ARG 30 HE ARG 30 -9.382 5.646 0.279 220 HH11 ARG 30 1HH1 ARG 30 -9.904 4.723 -3.058 221 HH12 ARG 30 2HH1 ARG 30 -10.598 6.256 -3.491 222 HH21 ARG 30 1HH2 ARG 30 -10.259 7.638 -0.279 223 HH22 ARG 30 2HH2 ARG 30 -10.798 7.915 -1.908 224 H ILE 31 H ILE 31 -7.147 -0.052 1.773 225 HA ILE 31 HA ILE 31 -7.043 -2.369 -0.011 226 HB ILE 31 HB ILE 31 -4.795 -1.034 1.549 227 HG12 ILE 31 2HG1 ILE 31 -5.738 0.517 -0.111 228 HG13 ILE 31 3HG1 ILE 31 -4.138 -0.005 -0.620 229 HG21 ILE 31 1HG2 ILE 31 -4.627 -3.078 -0.698 230 HG22 ILE 31 2HG2 ILE 31 -4.275 -3.382 1.004 231 HG23 ILE 31 3HG2 ILE 31 -3.254 -2.282 0.082 232 HD11 ILE 31 3HD1 ILE 31 -6.771 -1.007 -1.728 233 HD12 ILE 31 1HD1 ILE 31 -5.166 -1.545 -2.243 234 HD13 ILE 31 2HD1 ILE 31 -5.661 0.127 -2.493 235 H ARG 32 H ARG 32 -5.979 -1.690 3.378 236 HA ARG 32 HA ARG 32 -5.200 -4.177 4.157 237 HB2 ARG 32 2HB ARG 32 -6.540 -2.117 5.941 238 HB3 ARG 32 3HB ARG 32 -5.700 -3.547 6.539 239 HG2 ARG 32 2HG ARG 32 -3.623 -2.670 5.394 240 HG3 ARG 32 3HG ARG 32 -4.505 -1.171 5.091 241 HD2 ARG 32 2HD ARG 32 -3.182 -0.867 7.079 242 HD3 ARG 32 3HD ARG 32 -4.873 -0.980 7.581 243 HE ARG 32 HE ARG 32 -3.345 -3.466 7.637 244 HH11 ARG 32 1HH1 ARG 32 -4.497 -0.737 9.570 245 HH12 ARG 32 2HH1 ARG 32 -4.270 -1.580 11.069 246 HH21 ARG 32 1HH2 ARG 32 -3.095 -4.526 9.605 247 HH22 ARG 32 2HH2 ARG 32 -3.482 -3.714 11.087 248 HA PRO 33 HA PRO 33 -9.798 -5.272 5.817 249 HB2 PRO 33 2HB PRO 33 -11.398 -3.703 3.778 250 HB3 PRO 33 3HB PRO 33 -11.776 -4.072 5.478 251 HG2 PRO 33 2HG PRO 33 -10.967 -1.639 4.847 252 HG3 PRO 33 3HG PRO 33 -10.337 -2.429 6.314 253 HD2 PRO 33 2HD PRO 33 -8.993 -2.109 3.627 254 HD3 PRO 33 3HD PRO 33 -8.326 -1.879 5.259 255 H THR 34 H THR 34 -9.432 -4.510 2.340 256 HA THR 34 HA THR 34 -10.733 -6.725 1.216 257 HB THR 34 HB THR 34 -8.395 -5.118 0.082 258 HG1 THR 34 HG1 THR 34 -9.852 -3.655 -0.460 259 HG21 THR 34 3HG2 THR 34 -9.241 -5.766 -2.145 260 HG22 THR 34 1HG2 THR 34 -10.496 -6.755 -1.402 261 HG23 THR 34 2HG2 THR 34 -8.796 -7.204 -1.221 262 H VAL 35 H VAL 35 -7.321 -6.210 2.023 263 HA VAL 35 HA VAL 35 -6.384 -8.727 1.048 264 HB VAL 35 HB VAL 35 -4.939 -6.807 2.942 265 HG11 VAL 35 1HG1 VAL 35 -3.822 -8.900 1.034 266 HG12 VAL 35 2HG1 VAL 35 -3.875 -9.042 2.789 267 HG13 VAL 35 3HG1 VAL 35 -2.864 -7.809 2.038 268 HG21 VAL 35 3HG2 VAL 35 -3.930 -5.795 0.921 269 HG22 VAL 35 1HG2 VAL 35 -5.687 -5.628 0.903 270 HG23 VAL 35 2HG2 VAL 35 -4.910 -6.852 -0.101 271 H GLN 36 H GLN 36 -7.439 -7.514 4.202 272 HA GLN 36 HA GLN 36 -6.658 -9.717 5.821 273 HB2 GLN 36 2HB GLN 36 -8.778 -7.570 6.204 274 HB3 GLN 36 3HB GLN 36 -8.478 -8.812 7.417 275 HG2 GLN 36 2HG GLN 36 -6.240 -8.007 7.806 276 HG3 GLN 36 3HG GLN 36 -6.327 -6.921 6.418 277 HE21 GLN 36 1HE2 GLN 36 -5.876 -5.080 7.674 278 HE22 GLN 36 2HE2 GLN 36 -7.019 -4.415 8.788 279 H GLU 37 H GLU 37 -9.607 -8.979 3.982 280 HA GLU 37 HA GLU 37 -11.091 -11.304 4.744 281 HB2 GLU 37 2HB GLU 37 -11.328 -9.458 2.326 282 HB3 GLU 37 3HB GLU 37 -12.474 -10.740 2.694 283 HG2 GLU 37 2HG GLU 37 -11.911 -8.333 4.455 284 HG3 GLU 37 3HG GLU 37 -13.302 -8.527 3.392 285 H ASP 38 H ASP 38 -8.654 -10.621 2.315 286 HA ASP 38 HA ASP 38 -8.937 -13.076 0.813 287 HB2 ASP 38 2HB ASP 38 -8.034 -10.997 -0.216 288 HB3 ASP 38 3HB ASP 38 -6.680 -11.007 0.907 289 H GLY 39 H GLY 39 -7.254 -12.099 3.718 290 HA2 GLY 39 2HA GLY 39 -6.764 -13.874 5.324 291 HA3 GLY 39 3HA GLY 39 -6.152 -14.858 4.005 292 H GLY 40 H GLY 40 -5.159 -11.675 3.598 293 HA2 GLY 40 2HA GLY 40 -2.646 -12.008 5.142 294 HA3 GLY 40 3HA GLY 40 -2.738 -11.219 3.573 295 H ASP 41 H ASP 41 -1.915 -9.273 4.305 296 HA ASP 41 HA ASP 41 -3.702 -7.264 5.005 297 HB2 ASP 41 2HB ASP 41 -3.558 -8.221 7.321 298 HB3 ASP 41 3HB ASP 41 -1.815 -7.989 7.301 299 H VAL 42 H VAL 42 -2.571 -5.121 5.136 300 HA VAL 42 HA VAL 42 0.253 -5.157 4.234 301 HB VAL 42 HB VAL 42 -0.127 -3.209 2.758 302 HG11 VAL 42 1HG1 VAL 42 -1.330 -4.304 0.915 303 HG12 VAL 42 2HG1 VAL 42 -2.014 -5.478 2.043 304 HG13 VAL 42 3HG1 VAL 42 -0.275 -5.451 1.750 305 HG21 VAL 42 3HG2 VAL 42 -2.354 -2.376 2.157 306 HG22 VAL 42 1HG2 VAL 42 -2.061 -2.166 3.885 307 HG23 VAL 42 2HG2 VAL 42 -3.098 -3.477 3.321 308 H ILE 43 H ILE 43 1.492 -4.150 5.704 309 HA ILE 43 HA ILE 43 0.261 -2.313 7.678 310 HB ILE 43 HB ILE 43 2.876 -3.879 7.987 311 HG12 ILE 43 2HG1 ILE 43 1.532 -5.149 9.827 312 HG13 ILE 43 3HG1 ILE 43 0.088 -4.520 9.051 313 HG21 ILE 43 1HG2 ILE 43 1.337 -2.221 10.024 314 HG22 ILE 43 2HG2 ILE 43 2.866 -1.770 9.267 315 HG23 ILE 43 3HG2 ILE 43 2.798 -3.157 10.354 316 HD11 ILE 43 3HD1 ILE 43 0.560 -6.811 8.388 317 HD12 ILE 43 1HD1 ILE 43 2.139 -6.327 7.770 318 HD13 ILE 43 2HD1 ILE 43 0.668 -5.725 7.004 319 H TYR 44 H TYR 44 0.772 -0.213 7.421 320 HA TYR 44 HA TYR 44 2.657 0.729 5.515 321 HB2 TYR 44 2HB TYR 44 0.635 2.035 6.132 322 HB3 TYR 44 3HB TYR 44 1.251 2.244 7.768 323 HD1 TYR 44 HD2 TYR 44 2.122 2.994 4.186 324 HD2 TYR 44 HD1 TYR 44 2.558 4.207 8.264 325 HE1 TYR 44 HE2 TYR 44 3.220 5.068 3.466 326 HE2 TYR 44 HE1 TYR 44 3.653 6.263 7.530 327 HH TYR 44 HH TYR 44 4.871 7.108 5.604 328 H LYS 45 H LYS 45 4.800 0.484 5.792 329 HA LYS 45 HA LYS 45 6.030 0.469 8.458 330 HB2 LYS 45 2HB LYS 45 7.196 -0.053 5.695 331 HB3 LYS 45 3HB LYS 45 8.103 -0.183 7.194 332 HG2 LYS 45 2HG LYS 45 5.626 -1.854 6.715 333 HG3 LYS 45 3HG LYS 45 7.201 -2.344 6.102 334 HD2 LYS 45 2HD LYS 45 7.070 -3.505 8.127 335 HD3 LYS 45 3HD LYS 45 8.013 -2.090 8.577 336 HE2 LYS 45 2HE LYS 45 5.987 -1.071 9.560 337 HE3 LYS 45 3HE LYS 45 5.042 -2.479 9.071 338 HZ1 LYS 45 3HZ LYS 45 6.467 -3.849 10.503 339 HZ2 LYS 45 1HZ LYS 45 5.654 -2.652 11.372 340 HZ3 LYS 45 2HZ LYS 45 7.294 -2.466 11.016 341 H GLY 46 H GLY 46 6.061 2.360 5.429 342 HA2 GLY 46 2HA GLY 46 6.424 4.829 6.653 343 HA3 GLY 46 3HA GLY 46 8.046 4.243 6.297 344 H PHE 47 H PHE 47 7.904 6.316 5.110 345 HA PHE 47 HA PHE 47 7.456 5.823 2.267 346 HB2 PHE 47 2HB PHE 47 5.397 7.022 2.962 347 HB3 PHE 47 3HB PHE 47 6.346 8.247 3.789 348 HD1 PHE 47 HD2 PHE 47 5.624 6.836 0.399 349 HD2 PHE 47 HD1 PHE 47 7.024 10.226 2.610 350 HE1 PHE 47 HE2 PHE 47 5.601 8.193 -1.653 351 HE2 PHE 47 HE1 PHE 47 6.997 11.571 0.550 352 HZ PHE 47 HZ PHE 47 6.297 10.553 -1.581 353 H GLU 48 H GLU 48 9.510 6.056 1.570 354 HA GLU 48 HA GLU 48 11.195 8.278 2.590 355 HB2 GLU 48 2HB GLU 48 12.168 5.481 1.807 356 HB3 GLU 48 3HB GLU 48 13.188 6.824 2.319 357 HG2 GLU 48 2HG GLU 48 11.985 6.781 4.547 358 HG3 GLU 48 3HG GLU 48 11.174 5.312 4.010 359 H ASP 49 H ASP 49 12.083 9.511 1.032 360 HA ASP 49 HA ASP 49 12.587 10.475 -0.936 361 HB2 ASP 49 2HB ASP 49 12.529 7.676 -2.138 362 HB3 ASP 49 3HB ASP 49 13.234 9.101 -2.899 363 H GLY 50 H GLY 50 10.637 7.898 -2.383 364 HA2 GLY 50 2HA GLY 50 8.161 9.436 -2.439 365 HA3 GLY 50 3HA GLY 50 8.918 9.157 -4.006 366 H ILE 51 H ILE 51 9.461 6.767 -1.653 367 HA ILE 51 HA ILE 51 7.756 4.858 -3.131 368 HB ILE 51 HB ILE 51 10.302 4.356 -1.510 369 HG12 ILE 51 2HG1 ILE 51 10.840 5.580 -3.587 370 HG13 ILE 51 3HG1 ILE 51 11.419 3.926 -3.705 371 HG21 ILE 51 1HG2 ILE 51 8.690 2.438 -3.228 372 HG22 ILE 51 2HG2 ILE 51 8.815 2.410 -1.468 373 HG23 ILE 51 3HG2 ILE 51 10.236 2.071 -2.457 374 HD11 ILE 51 3HD1 ILE 51 10.486 4.647 -5.795 375 HD12 ILE 51 1HD1 ILE 51 8.956 5.063 -5.027 376 HD13 ILE 51 2HD1 ILE 51 9.469 3.374 -5.121 377 H VAL 52 H VAL 52 5.997 4.334 -2.035 378 HA VAL 52 HA VAL 52 5.723 4.584 0.836 379 HB VAL 52 HB VAL 52 3.750 3.329 -1.144 380 HG11 VAL 52 1HG1 VAL 52 3.346 4.326 1.701 381 HG12 VAL 52 2HG1 VAL 52 3.354 2.638 1.189 382 HG13 VAL 52 3HG1 VAL 52 2.072 3.719 0.642 383 HG21 VAL 52 3HG2 VAL 52 3.825 6.178 -0.089 384 HG22 VAL 52 1HG2 VAL 52 2.556 5.488 -1.105 385 HG23 VAL 52 2HG2 VAL 52 4.192 5.682 -1.744 386 H GLN 53 H GLN 53 6.761 3.110 2.001 387 HA GLN 53 HA GLN 53 7.353 0.444 0.961 388 HB2 GLN 53 2HB GLN 53 8.388 2.019 3.351 389 HB3 GLN 53 3HB GLN 53 8.877 0.362 2.994 390 HG2 GLN 53 2HG GLN 53 9.767 1.088 0.801 391 HG3 GLN 53 3HG GLN 53 9.255 2.742 1.146 392 HE21 GLN 53 1HE2 GLN 53 11.409 3.436 0.854 393 HE22 GLN 53 2HE2 GLN 53 12.600 3.194 2.084 394 H LEU 54 H LEU 54 6.048 -1.157 1.412 395 HA LEU 54 HA LEU 54 4.319 -1.119 3.812 396 HB2 LEU 54 2HB LEU 54 3.619 -2.168 1.037 397 HB3 LEU 54 3HB LEU 54 2.583 -2.263 2.454 398 HG LEU 54 HG LEU 54 3.404 0.273 0.983 399 HD11 LEU 54 1HD1 LEU 54 0.698 -1.065 1.275 400 HD12 LEU 54 2HD1 LEU 54 1.697 -1.028 -0.181 401 HD13 LEU 54 3HD1 LEU 54 1.023 0.468 0.456 402 HD21 LEU 54 3HD2 LEU 54 1.916 1.468 2.555 403 HD22 LEU 54 1HD2 LEU 54 3.310 0.756 3.366 404 HD23 LEU 54 2HD2 LEU 54 1.725 -0.014 3.497 405 H LYS 55 H LYS 55 4.197 -2.933 4.934 406 HA LYS 55 HA LYS 55 5.839 -5.263 4.304 407 HB2 LYS 55 2HB LYS 55 5.903 -4.391 6.574 408 HB3 LYS 55 3HB LYS 55 4.149 -4.435 6.705 409 HG2 LYS 55 2HG LYS 55 4.243 -6.924 6.579 410 HG3 LYS 55 3HG LYS 55 6.010 -6.830 6.561 411 HD2 LYS 55 2HD LYS 55 5.976 -5.707 8.764 412 HD3 LYS 55 3HD LYS 55 4.210 -5.774 8.782 413 HE2 LYS 55 2HE LYS 55 4.256 -8.183 8.887 414 HE3 LYS 55 3HE LYS 55 6.008 -8.208 8.652 415 HZ1 LYS 55 3HZ LYS 55 6.268 -7.083 10.768 416 HZ2 LYS 55 1HZ LYS 55 5.413 -8.529 10.963 417 HZ3 LYS 55 2HZ LYS 55 4.591 -7.052 10.996 418 H LEU 56 H LEU 56 4.880 -6.833 3.049 419 HA LEU 56 HA LEU 56 1.932 -7.032 2.939 420 HB2 LEU 56 2HB LEU 56 3.946 -8.448 1.148 421 HB3 LEU 56 3HB LEU 56 2.214 -8.318 0.898 422 HG LEU 56 HG LEU 56 4.309 -6.142 0.580 423 HD11 LEU 56 1HD1 LEU 56 4.074 -7.641 -1.320 424 HD12 LEU 56 2HD1 LEU 56 3.499 -6.027 -1.725 425 HD13 LEU 56 3HD1 LEU 56 2.339 -7.320 -1.398 426 HD21 LEU 56 3HD2 LEU 56 2.514 -4.554 0.017 427 HD22 LEU 56 1HD2 LEU 56 2.433 -5.075 1.698 428 HD23 LEU 56 2HD2 LEU 56 1.302 -5.739 0.516 429 H GLN 57 H GLN 57 0.866 -8.778 3.727 430 HA GLN 57 HA GLN 57 2.342 -10.873 5.189 431 HB2 GLN 57 2HB GLN 57 -0.586 -10.045 5.208 432 HB3 GLN 57 3HB GLN 57 0.024 -11.434 6.096 433 HG2 GLN 57 2HG GLN 57 0.938 -8.584 6.528 434 HG3 GLN 57 3HG GLN 57 -0.295 -9.400 7.488 435 HE21 GLN 57 1HE2 GLN 57 2.186 -8.286 8.436 436 HE22 GLN 57 2HE2 GLN 57 3.074 -9.581 9.145 437 H GLY 58 H GLY 58 1.052 -13.060 5.184 438 HA2 GLY 58 2HA GLY 58 1.545 -14.339 2.727 439 HA3 GLY 58 3HA GLY 58 0.687 -15.031 4.091 440 H SER 59 H SER 59 -0.135 -15.927 1.789 441 HA SER 59 HA SER 59 -1.908 -16.375 0.515 442 HB2 SER 59 2HB SER 59 -3.382 -15.737 2.419 443 HB3 SER 59 3HB SER 59 -3.372 -14.066 1.862 444 HG SER 59 HG SER 59 -5.016 -14.637 0.733 445 H CYS 60 H CYS 60 -1.587 -12.797 0.736 446 HA CYS 60 HA CYS 60 -1.924 -12.412 -2.103 447 HB2 CYS 60 2HB CYS 60 -1.127 -10.511 0.135 448 HB3 CYS 60 3HB CYS 60 -1.312 -10.008 -1.543 449 HG CYS 60 HG CYS 60 -3.835 -11.416 0.279 450 H THR 61 H THR 61 0.816 -12.818 0.090 451 HA THR 61 HA THR 61 2.827 -12.002 -1.805 452 HB THR 61 HB THR 61 4.427 -13.118 -0.151 453 HG1 THR 61 HG1 THR 61 3.301 -14.566 0.969 454 HG21 THR 61 3HG2 THR 61 4.155 -11.404 1.597 455 HG22 THR 61 1HG2 THR 61 2.542 -11.029 0.984 456 HG23 THR 61 2HG2 THR 61 3.961 -10.704 -0.013 457 H SER 62 H SER 62 1.031 -14.883 -1.259 458 HA SER 62 HA SER 62 2.718 -16.856 -2.310 459 HB2 SER 62 2HB SER 62 -0.319 -16.672 -2.496 460 HB3 SER 62 3HB SER 62 0.639 -18.139 -2.720 461 HG SER 62 HG SER 62 -0.281 -17.873 -0.583 462 H CYS 63 H CYS 63 3.566 -17.040 -4.280 463 HA CYS 63 HA CYS 63 4.072 -16.849 -6.446 464 HB2 CYS 63 2HB CYS 63 1.148 -16.168 -6.893 465 HB3 CYS 63 3HB CYS 63 2.305 -16.504 -8.178 466 HG CYS 63 HG CYS 63 0.570 -18.703 -7.769 467 HA PRO 64 HA PRO 64 5.431 -12.494 -6.455 468 HB2 PRO 64 2HB PRO 64 6.330 -13.364 -9.216 469 HB3 PRO 64 3HB PRO 64 7.216 -12.459 -7.962 470 HG2 PRO 64 2HG PRO 64 7.745 -15.030 -8.282 471 HG3 PRO 64 3HG PRO 64 7.590 -14.356 -6.643 472 HD2 PRO 64 2HD PRO 64 5.605 -16.014 -8.188 473 HD3 PRO 64 3HD PRO 64 6.034 -16.082 -6.462 474 H SER 65 H SER 65 3.466 -13.952 -8.983 475 HA SER 65 HA SER 65 2.745 -11.758 -10.549 476 HB2 SER 65 2HB SER 65 2.170 -14.114 -11.104 477 HB3 SER 65 3HB SER 65 1.011 -14.151 -9.776 478 HG SER 65 HG SER 65 -0.381 -13.106 -10.972 479 H SER 66 H SER 66 1.208 -13.033 -7.565 480 HA SER 66 HA SER 66 -0.876 -11.081 -7.460 481 HB2 SER 66 2HB SER 66 0.162 -12.989 -5.327 482 HB3 SER 66 3HB SER 66 -1.346 -12.066 -5.222 483 HG SER 66 HG SER 66 -2.184 -13.682 -6.244 484 H ILE 67 H ILE 67 2.380 -11.260 -6.103 485 HA ILE 67 HA ILE 67 2.279 -9.057 -4.334 486 HB ILE 67 HB ILE 67 4.668 -10.065 -5.950 487 HG12 ILE 67 2HG1 ILE 67 3.820 -10.823 -3.115 488 HG13 ILE 67 3HG1 ILE 67 3.616 -11.843 -4.534 489 HG21 ILE 67 1HG2 ILE 67 6.081 -9.010 -4.199 490 HG22 ILE 67 2HG2 ILE 67 4.634 -8.350 -3.436 491 HG23 ILE 67 3HG2 ILE 67 5.099 -7.814 -5.050 492 HD11 ILE 67 3HD1 ILE 67 6.049 -11.948 -4.804 493 HD12 ILE 67 1HD1 ILE 67 5.520 -12.551 -3.234 494 HD13 ILE 67 2HD1 ILE 67 6.249 -10.950 -3.361 495 H ILE 68 H ILE 68 3.079 -9.292 -7.813 496 HA ILE 68 HA ILE 68 3.709 -6.578 -8.314 497 HB ILE 68 HB ILE 68 2.587 -8.685 -10.225 498 HG12 ILE 68 2HG1 ILE 68 5.493 -7.793 -9.912 499 HG13 ILE 68 3HG1 ILE 68 4.825 -9.209 -9.111 500 HG21 ILE 68 1HG2 ILE 68 3.929 -6.049 -10.936 501 HG22 ILE 68 2HG2 ILE 68 2.216 -6.412 -11.149 502 HG23 ILE 68 3HG2 ILE 68 3.428 -7.290 -12.086 503 HD11 ILE 68 3HD1 ILE 68 4.312 -10.185 -11.312 504 HD12 ILE 68 1HD1 ILE 68 6.031 -9.868 -11.079 505 HD13 ILE 68 2HD1 ILE 68 5.068 -8.788 -12.087 506 H THR 69 H THR 69 0.659 -8.421 -8.565 507 HA THR 69 HA THR 69 -0.995 -6.380 -9.578 508 HB THR 69 HB THR 69 -1.799 -8.787 -7.871 509 HG1 THR 69 HG1 THR 69 -1.018 -8.511 -10.546 510 HG21 THR 69 3HG2 THR 69 -3.663 -7.177 -8.173 511 HG22 THR 69 1HG2 THR 69 -3.954 -8.665 -9.079 512 HG23 THR 69 2HG2 THR 69 -3.411 -7.212 -9.919 513 H LEU 70 H LEU 70 -0.253 -7.388 -6.229 514 HA LEU 70 HA LEU 70 -2.078 -5.656 -4.923 515 HB2 LEU 70 2HB LEU 70 -1.042 -7.703 -3.903 516 HB3 LEU 70 3HB LEU 70 0.495 -6.858 -3.826 517 HG LEU 70 HG LEU 70 -0.460 -5.224 -2.217 518 HD11 LEU 70 1HD1 LEU 70 -2.782 -5.182 -2.970 519 HD12 LEU 70 2HD1 LEU 70 -2.695 -5.537 -1.247 520 HD13 LEU 70 3HD1 LEU 70 -3.025 -6.835 -2.398 521 HD21 LEU 70 3HD2 LEU 70 -0.698 -6.714 -0.291 522 HD22 LEU 70 1HD2 LEU 70 0.611 -7.250 -1.344 523 HD23 LEU 70 2HD2 LEU 70 -0.938 -8.094 -1.365 524 H LYS 71 H LYS 71 1.443 -5.390 -5.571 525 HA LYS 71 HA LYS 71 2.001 -2.858 -4.561 526 HB2 LYS 71 2HB LYS 71 3.793 -4.340 -5.380 527 HB3 LYS 71 3HB LYS 71 3.165 -4.236 -7.022 528 HG2 LYS 71 2HG LYS 71 3.643 -1.694 -6.885 529 HG3 LYS 71 3HG LYS 71 4.566 -2.053 -5.428 530 HD2 LYS 71 2HD LYS 71 5.112 -3.252 -8.167 531 HD3 LYS 71 3HD LYS 71 5.959 -1.858 -7.504 532 HE2 LYS 71 2HE LYS 71 5.951 -4.603 -6.214 533 HE3 LYS 71 3HE LYS 71 7.209 -4.028 -7.304 534 HZ1 LYS 71 3HZ LYS 71 7.815 -3.757 -4.970 535 HZ2 LYS 71 1HZ LYS 71 6.475 -2.752 -4.724 536 HZ3 LYS 71 2HZ LYS 71 7.720 -2.257 -5.755 537 H ASN 72 H ASN 72 0.709 -3.803 -7.718 538 HA ASN 72 HA ASN 72 1.095 -1.322 -9.058 539 HB2 ASN 72 2HB ASN 72 0.909 -3.737 -10.019 540 HB3 ASN 72 3HB ASN 72 -0.831 -3.539 -9.903 541 HD21 ASN 72 1HD2 ASN 72 0.950 -3.949 -12.195 542 HD22 ASN 72 2HD2 ASN 72 0.645 -2.658 -13.290 543 H GLY 73 H GLY 73 -1.823 -2.942 -7.743 544 HA2 GLY 73 2HA GLY 73 -3.731 -0.968 -8.448 545 HA3 GLY 73 3HA GLY 73 -3.923 -2.192 -7.204 546 H ILE 74 H ILE 74 -2.011 -1.572 -5.369 547 HA ILE 74 HA ILE 74 -2.999 0.555 -3.827 548 HB ILE 74 HB ILE 74 -0.290 -0.852 -3.729 549 HG12 ILE 74 2HG1 ILE 74 -2.759 -1.213 -1.968 550 HG13 ILE 74 3HG1 ILE 74 -2.259 -2.307 -3.253 551 HG21 ILE 74 1HG2 ILE 74 0.012 0.072 -1.451 552 HG22 ILE 74 2HG2 ILE 74 -1.445 1.041 -1.656 553 HG23 ILE 74 3HG2 ILE 74 -0.036 1.346 -2.671 554 HD11 ILE 74 3HD1 ILE 74 -0.747 -1.753 -0.698 555 HD12 ILE 74 1HD1 ILE 74 -0.192 -2.801 -2.010 556 HD13 ILE 74 2HD1 ILE 74 -1.650 -3.210 -1.110 557 H GLN 75 H GLN 75 -0.240 0.367 -6.041 558 HA GLN 75 HA GLN 75 0.933 2.864 -5.496 559 HB2 GLN 75 2HB GLN 75 2.041 0.926 -6.655 560 HB3 GLN 75 3HB GLN 75 1.112 1.302 -8.104 561 HG2 GLN 75 2HG GLN 75 2.218 3.477 -8.273 562 HG3 GLN 75 3HG GLN 75 3.070 3.185 -6.758 563 HE21 GLN 75 1HE2 GLN 75 3.642 0.359 -7.364 564 HE22 GLN 75 2HE2 GLN 75 4.886 0.401 -8.562 565 H ASN 76 H ASN 76 -1.260 1.850 -8.134 566 HA ASN 76 HA ASN 76 -1.554 4.322 -9.419 567 HB2 ASN 76 2HB ASN 76 -3.460 1.947 -9.231 568 HB3 ASN 76 3HB ASN 76 -3.739 3.320 -10.301 569 HD21 ASN 76 1HD2 ASN 76 -3.214 0.428 -10.837 570 HD22 ASN 76 2HD2 ASN 76 -1.891 0.413 -11.947 571 H MET 77 H MET 77 -3.275 2.944 -6.638 572 HA MET 77 HA MET 77 -5.333 4.877 -6.380 573 HB2 MET 77 2HB MET 77 -5.369 2.675 -5.211 574 HB3 MET 77 3HB MET 77 -4.008 3.178 -4.221 575 HG2 MET 77 2HG MET 77 -5.472 5.052 -3.332 576 HG3 MET 77 3HG MET 77 -6.823 4.289 -4.169 577 HE1 MET 77 3HE MET 77 -3.751 2.697 -2.168 578 HE2 MET 77 1HE MET 77 -4.525 2.465 -0.601 579 HE3 MET 77 2HE MET 77 -4.269 4.095 -1.221 580 H LEU 78 H LEU 78 -2.225 4.542 -4.642 581 HA LEU 78 HA LEU 78 -2.449 6.927 -3.137 582 HB2 LEU 78 2HB LEU 78 -0.075 5.133 -3.750 583 HB3 LEU 78 3HB LEU 78 0.010 6.491 -2.639 584 HG LEU 78 HG LEU 78 -1.814 4.078 -2.271 585 HD11 LEU 78 1HD1 LEU 78 -0.287 3.416 -0.467 586 HD12 LEU 78 2HD1 LEU 78 0.791 4.757 -0.879 587 HD13 LEU 78 3HD1 LEU 78 0.528 3.444 -2.031 588 HD21 LEU 78 3HD2 LEU 78 -2.197 4.973 -0.009 589 HD22 LEU 78 1HD2 LEU 78 -2.745 6.104 -1.245 590 HD23 LEU 78 2HD2 LEU 78 -1.226 6.397 -0.393 591 H GLN 79 H GLN 79 -1.105 6.263 -6.327 592 HA GLN 79 HA GLN 79 0.321 8.760 -6.600 593 HB2 GLN 79 2HB GLN 79 -0.523 6.681 -8.669 594 HB3 GLN 79 3HB GLN 79 0.356 8.152 -9.087 595 HG2 GLN 79 2HG GLN 79 2.208 7.464 -7.620 596 HG3 GLN 79 3HG GLN 79 1.356 5.975 -7.227 597 HE21 GLN 79 1HE2 GLN 79 3.962 6.383 -8.508 598 HE22 GLN 79 2HE2 GLN 79 3.875 5.554 -10.017 599 H PHE 80 H PHE 80 -2.907 7.576 -7.363 600 HA PHE 80 HA PHE 80 -3.809 9.642 -9.062 601 HB2 PHE 80 2HB PHE 80 -4.948 7.430 -8.782 602 HB3 PHE 80 3HB PHE 80 -5.407 7.879 -7.145 603 HD1 PHE 80 HD1 PHE 80 -5.696 9.282 -10.629 604 HD2 PHE 80 HD2 PHE 80 -7.641 8.575 -6.878 605 HE1 PHE 80 HE1 PHE 80 -7.788 10.218 -11.523 606 HE2 PHE 80 HE2 PHE 80 -9.723 9.521 -7.783 607 HZ PHE 80 HZ PHE 80 -9.796 10.339 -10.105 608 H TYR 81 H TYR 81 -4.089 9.160 -5.543 609 HA TYR 81 HA TYR 81 -5.411 11.695 -5.089 610 HB2 TYR 81 2HB TYR 81 -4.406 9.503 -3.219 611 HB3 TYR 81 3HB TYR 81 -5.161 10.983 -2.632 612 HD1 TYR 81 HD1 TYR 81 -7.572 11.396 -2.978 613 HD2 TYR 81 HD2 TYR 81 -5.788 7.780 -4.380 614 HE1 TYR 81 HE1 TYR 81 -9.802 10.427 -3.330 615 HE2 TYR 81 HE2 TYR 81 -8.014 6.811 -4.735 616 HH TYR 81 HH TYR 81 -10.851 8.703 -4.671 617 H ILE 82 H ILE 82 -2.103 10.458 -4.852 618 HA ILE 82 HA ILE 82 -1.156 13.025 -3.662 619 HB ILE 82 HB ILE 82 0.018 10.287 -3.009 620 HG12 ILE 82 2HG1 ILE 82 -1.835 11.881 -1.188 621 HG13 ILE 82 3HG1 ILE 82 -2.386 10.548 -2.193 622 HG21 ILE 82 1HG2 ILE 82 1.137 11.487 -1.144 623 HG22 ILE 82 2HG2 ILE 82 0.415 13.000 -1.695 624 HG23 ILE 82 3HG2 ILE 82 1.582 12.158 -2.717 625 HD11 ILE 82 3HD1 ILE 82 -2.036 9.834 0.072 626 HD12 ILE 82 1HD1 ILE 82 -0.351 10.358 0.014 627 HD13 ILE 82 2HD1 ILE 82 -0.904 9.031 -1.015 628 HA PRO 83 HA PRO 83 1.540 12.643 -7.398 629 HB2 PRO 83 2HB PRO 83 2.590 15.187 -7.300 630 HB3 PRO 83 3HB PRO 83 0.956 14.852 -7.908 631 HG2 PRO 83 2HG PRO 83 1.774 15.819 -5.180 632 HG3 PRO 83 3HG PRO 83 0.463 16.405 -6.231 633 HD2 PRO 83 2HD PRO 83 -0.009 14.702 -4.162 634 HD3 PRO 83 3HD PRO 83 -0.966 14.650 -5.660 635 H GLU 84 H GLU 84 2.397 12.965 -4.102 636 HA GLU 84 HA GLU 84 5.256 13.204 -4.392 637 HB2 GLU 84 2HB GLU 84 3.762 12.228 -1.918 638 HB3 GLU 84 3HB GLU 84 5.358 12.965 -1.988 639 HG2 GLU 84 2HG GLU 84 2.693 14.331 -2.458 640 HG3 GLU 84 3HG GLU 84 3.773 14.563 -1.087 641 H VAL 85 H VAL 85 2.948 10.589 -4.254 642 HA VAL 85 HA VAL 85 4.799 8.471 -3.686 643 HB VAL 85 HB VAL 85 1.984 8.344 -4.860 644 HG11 VAL 85 1HG1 VAL 85 3.229 6.279 -5.383 645 HG12 VAL 85 2HG1 VAL 85 1.975 5.956 -4.185 646 HG13 VAL 85 3HG1 VAL 85 3.661 6.089 -3.681 647 HG21 VAL 85 3HG2 VAL 85 2.007 9.375 -2.628 648 HG22 VAL 85 1HG2 VAL 85 2.916 8.002 -1.987 649 HG23 VAL 85 2HG2 VAL 85 1.264 7.776 -2.560 650 H GLU 86 H GLU 86 6.450 8.436 -5.127 651 HA GLU 86 HA GLU 86 6.132 8.395 -7.993 652 HB2 GLU 86 2HB GLU 86 8.569 7.559 -6.343 653 HB3 GLU 86 3HB GLU 86 8.549 7.947 -8.057 654 HG2 GLU 86 2HG GLU 86 8.093 9.874 -5.761 655 HG3 GLU 86 3HG GLU 86 9.510 9.798 -6.803 656 H GLY 87 H GLY 87 6.340 6.024 -5.393 657 HA2 GLY 87 2HA GLY 87 5.322 3.893 -7.034 658 HA3 GLY 87 3HA GLY 87 7.033 3.679 -6.665 659 H VAL 88 H VAL 88 5.647 1.709 -5.814 660 HA VAL 88 HA VAL 88 5.425 2.011 -2.866 661 HB VAL 88 HB VAL 88 3.469 0.505 -4.696 662 HG11 VAL 88 1HG1 VAL 88 3.657 0.325 -1.665 663 HG12 VAL 88 2HG1 VAL 88 3.978 -0.981 -2.809 664 HG13 VAL 88 3HG1 VAL 88 2.343 -0.338 -2.642 665 HG21 VAL 88 3HG2 VAL 88 2.978 2.690 -2.636 666 HG22 VAL 88 1HG2 VAL 88 1.731 1.888 -3.598 667 HG23 VAL 88 2HG2 VAL 88 2.945 2.898 -4.388 668 H GLU 89 H GLU 89 6.471 0.370 -1.758 669 HA GLU 89 HA GLU 89 7.692 -1.832 -3.335 670 HB2 GLU 89 2HB GLU 89 9.322 -0.012 -2.656 671 HB3 GLU 89 3HB GLU 89 8.972 -0.369 -0.968 672 HG2 GLU 89 2HG GLU 89 11.076 -1.421 -1.687 673 HG3 GLU 89 3HG GLU 89 9.878 -2.644 -1.254 674 H GLN 90 H GLN 90 7.954 -3.808 -2.276 675 HA GLN 90 HA GLN 90 6.474 -4.286 0.219 676 HB2 GLN 90 2HB GLN 90 6.094 -5.897 -1.593 677 HB3 GLN 90 3HB GLN 90 7.823 -6.171 -1.766 678 HG2 GLN 90 2HG GLN 90 7.882 -7.193 0.498 679 HG3 GLN 90 3HG GLN 90 6.144 -6.926 0.651 680 HE21 GLN 90 1HE2 GLN 90 5.732 -9.145 0.877 681 HE22 GLN 90 2HE2 GLN 90 5.872 -10.251 -0.443 682 H VAL 91 H VAL 91 7.741 -3.632 1.909 683 HA VAL 91 HA VAL 91 10.504 -4.663 2.147 684 HB VAL 91 HB VAL 91 10.528 -3.207 4.288 685 HG11 VAL 91 1HG1 VAL 91 11.078 -1.135 3.033 686 HG12 VAL 91 2HG1 VAL 91 10.282 -1.793 1.601 687 HG13 VAL 91 3HG1 VAL 91 11.738 -2.565 2.229 688 HG21 VAL 91 3HG2 VAL 91 8.956 -1.297 4.375 689 HG22 VAL 91 1HG2 VAL 91 8.102 -2.835 4.522 690 HG23 VAL 91 2HG2 VAL 91 8.077 -1.955 2.994 691 H MET 92 H MET 92 10.595 -6.605 2.959 692 HA MET 92 HA MET 92 8.427 -7.793 4.457 693 HB2 MET 92 2HB MET 92 11.092 -8.960 3.557 694 HB3 MET 92 3HB MET 92 9.802 -9.868 4.345 695 HG2 MET 92 2HG MET 92 9.548 -8.455 1.672 696 HG3 MET 92 3HG MET 92 9.794 -10.190 1.894 697 HE1 MET 92 3HE MET 92 6.429 -11.269 3.628 698 HE2 MET 92 1HE MET 92 7.911 -10.809 4.466 699 HE3 MET 92 2HE MET 92 7.991 -11.812 3.016 700 H ASP 93 H ASP 93 8.472 -6.535 6.301 701 HA ASP 93 HA ASP 93 10.629 -6.752 8.236 702 HB2 ASP 93 2HB ASP 93 9.342 -4.692 8.239 703 HB3 ASP 93 3HB ASP 93 7.815 -5.562 8.241 704 H ASP 94 H ASP 94 10.544 -9.173 7.859 705 HA ASP 94 HA ASP 94 8.340 -10.575 9.236 706 HB2 ASP 94 2HB ASP 94 9.260 -12.625 8.257 707 HB3 ASP 94 3HB ASP 94 9.038 -11.413 7.003 708 H GLU 95 H GLU 95 8.529 -11.250 11.239 709 HA GLU 95 HA GLU 95 10.836 -10.793 12.864 710 HB2 GLU 95 2HB GLU 95 8.389 -12.488 13.590 711 HB3 GLU 95 3HB GLU 95 9.565 -11.804 14.706 712 HG2 GLU 95 2HG GLU 95 7.701 -10.393 14.922 713 HG3 GLU 95 3HG GLU 95 8.788 -9.496 13.861 714 H SER 96 H SER 96 9.346 -13.571 11.327 715 HA SER 96 HA SER 96 11.839 -15.108 11.505 716 HB2 SER 96 2HB SER 96 9.103 -16.247 12.272 717 HB3 SER 96 3HB SER 96 10.594 -17.184 12.127 718 HG SER 96 HG SER 96 11.187 -15.222 13.732 719 H ASP 97 H ASP 97 12.045 -16.648 9.784 720 HA ASP 97 HA ASP 97 10.088 -16.446 7.567 721 HB2 ASP 97 2HB ASP 97 11.926 -16.587 5.945 722 HB3 ASP 97 3HB ASP 97 12.139 -15.194 6.993 Start of MODEL 3 1 H1 MET 1 1H MET 1 31.358 1.107 3.204 2 H2 MET 1 2H MET 1 31.415 0.130 4.584 3 H3 MET 1 3H MET 1 30.468 1.529 4.580 4 HA MET 1 HA MET 1 29.004 0.638 2.952 5 HB2 MET 1 2HB MET 1 29.251 -1.689 2.139 6 HB3 MET 1 3HB MET 1 30.633 -0.705 1.692 7 HG2 MET 1 2HG MET 1 31.984 -1.735 3.447 8 HG3 MET 1 3HG MET 1 30.592 -2.671 4.001 9 HE1 MET 1 3HE MET 1 31.814 -5.025 3.796 10 HE2 MET 1 1HE MET 1 33.287 -4.119 3.430 11 HE3 MET 1 2HE MET 1 32.802 -5.471 2.407 12 H GLY 2 H GLY 2 27.230 -0.824 3.508 13 HA2 GLY 2 2HA GLY 2 27.058 -2.512 5.717 14 HA3 GLY 2 3HA GLY 2 26.673 -0.887 6.298 15 H HIS 3 H HIS 3 25.195 -3.583 5.357 16 HA HIS 3 HA HIS 3 23.384 -2.672 3.317 17 HB2 HIS 3 2HB HIS 3 23.334 -5.182 5.049 18 HB3 HIS 3 3HB HIS 3 22.232 -4.880 3.710 19 HD1 HIS 3 HD1 HIS 3 23.003 -5.633 1.451 20 HD2 HIS 3 HD2 HIS 3 26.138 -5.395 4.172 21 HE1 HIS 3 HE1 HIS 3 25.001 -6.561 0.263 22 HE2 HIS 3 HE2 HIS 3 26.916 -6.202 1.849 23 H HIS 4 H HIS 4 22.272 -0.890 4.012 24 HA HIS 4 HA HIS 4 20.471 -1.201 6.350 25 HB2 HIS 4 2HB HIS 4 20.448 1.262 6.571 26 HB3 HIS 4 3HB HIS 4 22.068 0.612 6.712 27 HD1 HIS 4 HD1 HIS 4 20.355 3.356 5.267 28 HD2 HIS 4 HD2 HIS 4 23.504 0.967 4.023 29 HE1 HIS 4 HE1 HIS 4 21.597 4.706 3.566 30 HE2 HIS 4 HE2 HIS 4 23.483 3.217 2.802 31 H HIS 5 H HIS 5 18.715 -2.085 5.477 32 HA HIS 5 HA HIS 5 17.098 -0.568 3.555 33 HB2 HIS 5 2HB HIS 5 16.700 -2.664 2.173 34 HB3 HIS 5 3HB HIS 5 18.293 -1.956 2.004 35 HD1 HIS 5 HD1 HIS 5 20.063 -3.650 1.897 36 HD2 HIS 5 HD2 HIS 5 16.886 -4.957 4.231 37 HE1 HIS 5 HE1 HIS 5 20.679 -5.959 2.642 38 HE2 HIS 5 HE2 HIS 5 18.648 -6.799 3.875 39 H HIS 6 H HIS 6 16.810 -0.908 6.278 40 HA HIS 6 HA HIS 6 14.287 -2.463 6.485 41 HB2 HIS 6 2HB HIS 6 16.204 -3.596 7.669 42 HB3 HIS 6 3HB HIS 6 16.412 -2.158 8.657 43 HD1 HIS 6 HD1 HIS 6 14.371 -5.241 8.308 44 HD2 HIS 6 HD2 HIS 6 14.407 -1.829 10.681 45 HE1 HIS 6 HE1 HIS 6 12.850 -5.747 10.240 46 HE2 HIS 6 HE2 HIS 6 12.683 -3.572 11.486 47 H HIS 7 H HIS 7 16.259 0.224 7.615 48 HA HIS 7 HA HIS 7 13.977 1.978 7.865 49 HB2 HIS 7 2HB HIS 7 13.981 0.951 10.127 50 HB3 HIS 7 3HB HIS 7 15.683 1.350 10.336 51 HD1 HIS 7 HD1 HIS 7 16.011 3.394 11.713 52 HD2 HIS 7 HD2 HIS 7 12.425 3.571 9.611 53 HE1 HIS 7 HE1 HIS 7 14.956 5.577 12.354 54 HE2 HIS 7 HE2 HIS 7 12.878 5.725 10.952 55 H HIS 8 H HIS 8 14.733 3.672 6.715 56 HA HIS 8 HA HIS 8 17.571 4.404 6.771 57 HB2 HIS 8 2HB HIS 8 15.253 5.505 5.119 58 HB3 HIS 8 3HB HIS 8 16.915 6.080 5.008 59 HD1 HIS 8 HD1 HIS 8 16.928 5.360 2.499 60 HD2 HIS 8 HD2 HIS 8 16.399 2.205 5.142 61 HE1 HIS 8 HE1 HIS 8 17.255 3.280 1.142 62 HE2 HIS 8 HE2 HIS 8 16.684 1.408 2.717 63 H SER 9 H SER 9 18.369 6.147 7.713 64 HA SER 9 HA SER 9 16.753 8.307 8.817 65 HB2 SER 9 2HB SER 9 16.817 6.663 10.666 66 HB3 SER 9 3HB SER 9 18.575 6.557 10.546 67 HG SER 9 HG SER 9 16.975 8.731 11.397 68 H HIS 10 H HIS 10 18.071 10.188 9.296 69 HA HIS 10 HA HIS 10 19.536 11.773 8.670 70 HB2 HIS 10 2HB HIS 10 21.462 9.443 9.005 71 HB3 HIS 10 3HB HIS 10 22.044 11.017 8.477 72 HD1 HIS 10 HD1 HIS 10 22.680 12.571 10.247 73 HD2 HIS 10 HD2 HIS 10 20.057 9.672 11.662 74 HE1 HIS 10 HE1 HIS 10 22.500 12.974 12.716 75 HE2 HIS 10 HE2 HIS 10 21.050 11.105 13.572 76 H MET 11 H MET 11 18.150 11.620 6.775 77 HA MET 11 HA MET 11 19.617 11.165 4.264 78 HB2 MET 11 2HB MET 11 17.590 10.010 3.307 79 HB3 MET 11 3HB MET 11 18.345 9.097 4.609 80 HG2 MET 11 2HG MET 11 16.622 9.879 6.179 81 HG3 MET 11 3HG MET 11 15.863 10.813 4.887 82 HE1 MET 11 3HE MET 11 14.339 8.671 6.756 83 HE2 MET 11 1HE MET 11 13.349 7.829 5.564 84 HE3 MET 11 2HE MET 11 13.508 9.585 5.494 85 H GLY 12 H GLY 12 18.349 12.130 2.395 86 HA2 GLY 12 2HA GLY 12 17.487 14.812 3.022 87 HA3 GLY 12 3HA GLY 12 17.583 14.082 1.427 88 H SER 13 H SER 13 15.913 11.777 2.569 89 HA SER 13 HA SER 13 13.329 12.719 1.777 90 HB2 SER 13 2HB SER 13 14.155 10.073 3.048 91 HB3 SER 13 3HB SER 13 12.596 10.410 2.287 92 HG SER 13 HG SER 13 13.880 9.429 0.796 93 H GLU 14 H GLU 14 12.105 13.893 3.037 94 HA GLU 14 HA GLU 14 11.311 13.124 5.684 95 HB2 GLU 14 2HB GLU 14 11.923 15.380 6.704 96 HB3 GLU 14 3HB GLU 14 13.286 14.313 6.387 97 HG2 GLU 14 2HG GLU 14 13.798 15.574 4.332 98 HG3 GLU 14 3HG GLU 14 12.434 16.646 4.650 99 H GLU 15 H GLU 15 10.116 13.361 3.156 100 HA GLU 15 HA GLU 15 8.550 15.630 2.693 101 HB2 GLU 15 2HB GLU 15 6.994 14.043 1.485 102 HB3 GLU 15 3HB GLU 15 8.676 13.964 0.998 103 HG2 GLU 15 2HG GLU 15 8.044 12.006 3.115 104 HG3 GLU 15 3HG GLU 15 7.061 11.794 1.673 105 H ASP 16 H ASP 16 6.195 15.889 3.052 106 HA ASP 16 HA ASP 16 5.896 16.434 5.750 107 HB2 ASP 16 2HB ASP 16 3.781 16.356 3.563 108 HB3 ASP 16 3HB ASP 16 3.531 17.082 5.147 109 H ASP 17 H ASP 17 4.754 15.656 7.434 110 HA ASP 17 HA ASP 17 4.207 12.854 7.601 111 HB2 ASP 17 2HB ASP 17 3.803 13.224 9.946 112 HB3 ASP 17 3HB ASP 17 5.149 14.248 9.485 113 H GLY 18 H GLY 18 2.287 15.598 6.790 114 HA2 GLY 18 2HA GLY 18 -0.311 14.580 7.430 115 HA3 GLY 18 3HA GLY 18 0.056 15.868 6.293 116 H VAL 19 H VAL 19 1.792 14.381 4.581 117 HA VAL 19 HA VAL 19 0.043 12.981 2.856 118 HB VAL 19 HB VAL 19 3.089 12.759 2.963 119 HG11 VAL 19 1HG1 VAL 19 2.892 12.169 0.554 120 HG12 VAL 19 2HG1 VAL 19 1.134 12.188 0.706 121 HG13 VAL 19 3HG1 VAL 19 2.083 10.994 1.595 122 HG21 VAL 19 3HG2 VAL 19 2.420 15.115 2.762 123 HG22 VAL 19 1HG2 VAL 19 1.386 14.719 1.388 124 HG23 VAL 19 2HG2 VAL 19 3.138 14.541 1.254 125 H VAL 20 H VAL 20 2.545 11.889 5.124 126 HA VAL 20 HA VAL 20 2.350 9.125 4.974 127 HB VAL 20 HB VAL 20 2.922 10.929 7.375 128 HG11 VAL 20 1HG1 VAL 20 2.263 8.741 8.250 129 HG12 VAL 20 2HG1 VAL 20 3.999 8.970 8.462 130 HG13 VAL 20 3HG1 VAL 20 3.399 7.939 7.166 131 HG21 VAL 20 3HG2 VAL 20 4.513 11.199 5.510 132 HG22 VAL 20 1HG2 VAL 20 4.821 9.459 5.500 133 HG23 VAL 20 2HG2 VAL 20 5.305 10.435 6.891 134 H ALA 21 H ALA 21 0.486 11.397 6.973 135 HA ALA 21 HA ALA 21 -1.094 9.599 8.422 136 HB1 ALA 21 3HB ALA 21 -1.755 12.451 7.603 137 HB2 ALA 21 1HB ALA 21 -0.833 11.969 9.027 138 HB3 ALA 21 2HB ALA 21 -2.541 11.541 8.898 139 H MET 22 H MET 22 -1.803 11.224 5.273 140 HA MET 22 HA MET 22 -4.430 10.064 5.106 141 HB2 MET 22 2HB MET 22 -4.658 11.054 2.927 142 HB3 MET 22 3HB MET 22 -3.902 12.227 3.990 143 HG2 MET 22 2HG MET 22 -1.753 11.855 2.945 144 HG3 MET 22 3HG MET 22 -2.411 10.548 1.960 145 HE1 MET 22 3HE MET 22 -4.264 10.953 0.021 146 HE2 MET 22 1HE MET 22 -4.879 12.550 -0.406 147 HE3 MET 22 2HE MET 22 -5.312 11.825 1.142 148 H ILE 23 H ILE 23 -1.236 9.038 3.968 149 HA ILE 23 HA ILE 23 -2.068 6.954 2.220 150 HB ILE 23 HB ILE 23 0.476 7.082 3.929 151 HG12 ILE 23 2HG1 ILE 23 0.091 7.715 0.967 152 HG13 ILE 23 3HG1 ILE 23 0.271 8.916 2.232 153 HG21 ILE 23 1HG2 ILE 23 0.005 4.747 3.306 154 HG22 ILE 23 2HG2 ILE 23 1.399 5.341 2.404 155 HG23 ILE 23 3HG2 ILE 23 -0.172 5.213 1.613 156 HD11 ILE 23 3HD1 ILE 23 2.372 6.917 1.394 157 HD12 ILE 23 1HD1 ILE 23 2.548 8.140 2.657 158 HD13 ILE 23 2HD1 ILE 23 2.322 8.632 0.980 159 H LYS 24 H LYS 24 -1.483 7.114 5.736 160 HA LYS 24 HA LYS 24 -1.749 4.455 6.475 161 HB2 LYS 24 2HB LYS 24 -2.657 6.923 8.004 162 HB3 LYS 24 3HB LYS 24 -2.576 5.307 8.704 163 HG2 LYS 24 2HG LYS 24 -0.124 5.283 8.250 164 HG3 LYS 24 3HG LYS 24 -0.244 6.958 7.693 165 HD2 LYS 24 2HD LYS 24 -1.094 7.640 9.924 166 HD3 LYS 24 3HD LYS 24 -1.002 5.963 10.475 167 HE2 LYS 24 2HE LYS 24 1.463 6.028 10.081 168 HE3 LYS 24 3HE LYS 24 1.319 7.739 9.670 169 HZ1 LYS 24 3HZ LYS 24 1.990 7.388 11.978 170 HZ2 LYS 24 1HZ LYS 24 0.557 6.541 12.284 171 HZ3 LYS 24 2HZ LYS 24 0.503 8.182 11.882 172 H GLU 25 H GLU 25 -4.323 6.898 5.989 173 HA GLU 25 HA GLU 25 -6.403 5.067 6.810 174 HB2 GLU 25 2HB GLU 25 -7.966 6.826 6.533 175 HB3 GLU 25 3HB GLU 25 -6.516 7.584 7.178 176 HG2 GLU 25 2HG GLU 25 -5.957 8.314 4.832 177 HG3 GLU 25 3HG GLU 25 -7.520 7.662 4.319 178 H LEU 26 H LEU 26 -5.208 6.332 3.655 179 HA LEU 26 HA LEU 26 -7.206 5.247 1.986 180 HB2 LEU 26 2HB LEU 26 -4.248 5.752 1.431 181 HB3 LEU 26 3HB LEU 26 -5.381 5.274 0.176 182 HG LEU 26 HG LEU 26 -5.573 7.858 1.787 183 HD11 LEU 26 1HD1 LEU 26 -4.835 9.007 -0.233 184 HD12 LEU 26 2HD1 LEU 26 -4.635 7.466 -1.074 185 HD13 LEU 26 3HD1 LEU 26 -3.608 7.862 0.307 186 HD21 LEU 26 3HD2 LEU 26 -7.269 8.526 0.155 187 HD22 LEU 26 1HD2 LEU 26 -7.763 7.072 1.020 188 HD23 LEU 26 2HD2 LEU 26 -7.160 6.950 -0.635 189 H LEU 27 H LEU 27 -4.406 3.741 3.494 190 HA LEU 27 HA LEU 27 -4.725 1.174 2.210 191 HB2 LEU 27 2HB LEU 27 -3.225 1.962 4.737 192 HB3 LEU 27 3HB LEU 27 -3.105 0.395 3.946 193 HG LEU 27 HG LEU 27 -2.251 3.037 2.697 194 HD11 LEU 27 1HD1 LEU 27 0.040 2.289 3.034 195 HD12 LEU 27 2HD1 LEU 27 -0.533 0.850 3.882 196 HD13 LEU 27 3HD1 LEU 27 -0.808 2.454 4.570 197 HD21 LEU 27 3HD2 LEU 27 -1.866 0.196 1.701 198 HD22 LEU 27 1HD2 LEU 27 -1.211 1.655 0.953 199 HD23 LEU 27 2HD2 LEU 27 -2.954 1.405 1.011 200 H ASP 28 H ASP 28 -5.403 2.491 5.471 201 HA ASP 28 HA ASP 28 -6.235 0.036 6.595 202 HB2 ASP 28 2HB ASP 28 -5.320 1.948 7.909 203 HB3 ASP 28 3HB ASP 28 -6.797 2.856 7.605 204 H THR 29 H THR 29 -8.039 2.501 4.944 205 HA THR 29 HA THR 29 -10.640 1.529 5.824 206 HB THR 29 HB THR 29 -11.533 3.509 4.597 207 HG1 THR 29 HG1 THR 29 -9.236 4.800 4.106 208 HG21 THR 29 3HG2 THR 29 -10.798 3.806 6.946 209 HG22 THR 29 1HG2 THR 29 -10.567 5.277 5.995 210 HG23 THR 29 2HG2 THR 29 -9.187 4.241 6.369 211 H ARG 30 H ARG 30 -8.673 1.700 2.860 212 HA ARG 30 HA ARG 30 -10.868 0.544 1.255 213 HB2 ARG 30 2HB ARG 30 -8.258 1.695 0.202 214 HB3 ARG 30 3HB ARG 30 -9.731 1.368 -0.704 215 HG2 ARG 30 2HG ARG 30 -10.865 3.178 0.626 216 HG3 ARG 30 3HG ARG 30 -9.306 3.549 1.364 217 HD2 ARG 30 2HD ARG 30 -9.589 5.125 -0.393 218 HD3 ARG 30 3HD ARG 30 -8.433 3.943 -1.008 219 HE ARG 30 HE ARG 30 -10.257 2.953 -2.295 220 HH11 ARG 30 1HH1 ARG 30 -10.836 6.191 -1.050 221 HH12 ARG 30 2HH1 ARG 30 -12.039 6.565 -2.235 222 HH21 ARG 30 1HH2 ARG 30 -11.828 3.479 -3.876 223 HH22 ARG 30 2HH2 ARG 30 -12.598 5.034 -3.833 224 H ILE 31 H ILE 31 -7.362 0.081 1.849 225 HA ILE 31 HA ILE 31 -7.282 -2.167 -0.007 226 HB ILE 31 HB ILE 31 -5.030 -0.884 1.586 227 HG12 ILE 31 2HG1 ILE 31 -6.023 0.705 -0.024 228 HG13 ILE 31 3HG1 ILE 31 -4.400 0.245 -0.524 229 HG21 ILE 31 1HG2 ILE 31 -4.467 -3.187 0.952 230 HG22 ILE 31 2HG2 ILE 31 -3.496 -2.042 0.026 231 HG23 ILE 31 3HG2 ILE 31 -4.876 -2.845 -0.732 232 HD11 ILE 31 3HD1 ILE 31 -5.912 0.398 -2.409 233 HD12 ILE 31 1HD1 ILE 31 -6.975 -0.816 -1.703 234 HD13 ILE 31 2HD1 ILE 31 -5.342 -1.258 -2.218 235 H ARG 32 H ARG 32 -6.308 -1.657 3.441 236 HA ARG 32 HA ARG 32 -5.457 -4.175 4.056 237 HB2 ARG 32 2HB ARG 32 -6.838 -2.242 5.949 238 HB3 ARG 32 3HB ARG 32 -6.020 -3.712 6.475 239 HG2 ARG 32 2HG ARG 32 -3.916 -2.775 5.414 240 HG3 ARG 32 3HG ARG 32 -4.782 -1.248 5.219 241 HD2 ARG 32 2HD ARG 32 -3.460 -1.131 7.239 242 HD3 ARG 32 3HD ARG 32 -5.164 -1.231 7.706 243 HE ARG 32 HE ARG 32 -3.578 -3.704 7.614 244 HH11 ARG 32 1HH1 ARG 32 -5.175 -1.299 9.663 245 HH12 ARG 32 2HH1 ARG 32 -5.101 -2.299 11.073 246 HH21 ARG 32 1HH2 ARG 32 -3.541 -4.990 9.454 247 HH22 ARG 32 2HH2 ARG 32 -4.172 -4.400 10.958 248 HA PRO 33 HA PRO 33 -10.134 -5.439 5.492 249 HB2 PRO 33 2HB PRO 33 -11.552 -3.780 3.384 250 HB3 PRO 33 3HB PRO 33 -12.104 -4.256 5.008 251 HG2 PRO 33 2HG PRO 33 -11.281 -1.777 4.591 252 HG3 PRO 33 3HG PRO 33 -10.815 -2.633 6.082 253 HD2 PRO 33 2HD PRO 33 -9.160 -2.110 3.621 254 HD3 PRO 33 3HD PRO 33 -8.692 -2.047 5.331 255 H THR 34 H THR 34 -9.446 -4.520 2.108 256 HA THR 34 HA THR 34 -10.697 -6.672 0.785 257 HB THR 34 HB THR 34 -8.402 -4.885 -0.136 258 HG1 THR 34 HG1 THR 34 -10.001 -3.501 -0.014 259 HG21 THR 34 3HG2 THR 34 -8.555 -6.892 -1.582 260 HG22 THR 34 1HG2 THR 34 -9.078 -5.443 -2.445 261 HG23 THR 34 2HG2 THR 34 -10.274 -6.585 -1.830 262 H VAL 35 H VAL 35 -7.286 -6.153 1.701 263 HA VAL 35 HA VAL 35 -6.303 -8.586 0.569 264 HB VAL 35 HB VAL 35 -4.897 -7.002 2.770 265 HG11 VAL 35 1HG1 VAL 35 -2.828 -7.805 1.656 266 HG12 VAL 35 2HG1 VAL 35 -3.806 -8.689 0.481 267 HG13 VAL 35 3HG1 VAL 35 -3.842 -9.151 2.183 268 HG21 VAL 35 3HG2 VAL 35 -4.880 -6.399 -0.207 269 HG22 VAL 35 1HG2 VAL 35 -3.849 -5.624 0.999 270 HG23 VAL 35 2HG2 VAL 35 -5.597 -5.395 1.052 271 H GLN 36 H GLN 36 -7.526 -7.671 3.731 272 HA GLN 36 HA GLN 36 -6.790 -10.037 5.156 273 HB2 GLN 36 2HB GLN 36 -8.865 -7.882 5.716 274 HB3 GLN 36 3HB GLN 36 -8.559 -9.216 6.828 275 HG2 GLN 36 2HG GLN 36 -6.279 -8.478 7.195 276 HG3 GLN 36 3HG GLN 36 -6.417 -7.257 5.931 277 HE21 GLN 36 1HE2 GLN 36 -5.906 -5.545 7.338 278 HE22 GLN 36 2HE2 GLN 36 -6.989 -4.997 8.564 279 H GLU 37 H GLU 37 -9.587 -9.165 3.147 280 HA GLU 37 HA GLU 37 -11.137 -11.509 3.669 281 HB2 GLU 37 2HB GLU 37 -11.076 -9.766 1.160 282 HB3 GLU 37 3HB GLU 37 -12.297 -10.986 1.514 283 HG2 GLU 37 2HG GLU 37 -11.805 -8.424 3.044 284 HG3 GLU 37 3HG GLU 37 -13.155 -8.756 1.973 285 H ASP 38 H ASP 38 -8.476 -10.736 1.511 286 HA ASP 38 HA ASP 38 -8.528 -13.232 0.052 287 HB2 ASP 38 2HB ASP 38 -7.673 -10.928 -0.800 288 HB3 ASP 38 3HB ASP 38 -6.226 -11.231 0.155 289 H GLY 39 H GLY 39 -7.149 -12.122 3.037 290 HA2 GLY 39 2HA GLY 39 -6.765 -14.022 4.588 291 HA3 GLY 39 3HA GLY 39 -5.671 -14.684 3.384 292 H GLY 40 H GLY 40 -4.615 -11.943 2.750 293 HA2 GLY 40 2HA GLY 40 -2.517 -11.930 4.822 294 HA3 GLY 40 3HA GLY 40 -2.432 -11.213 3.219 295 H ASP 41 H ASP 41 -1.670 -9.241 4.035 296 HA ASP 41 HA ASP 41 -3.602 -7.286 4.692 297 HB2 ASP 41 2HB ASP 41 -3.400 -8.359 6.956 298 HB3 ASP 41 3HB ASP 41 -1.675 -8.009 6.957 299 H VAL 42 H VAL 42 -2.639 -5.139 4.859 300 HA VAL 42 HA VAL 42 0.153 -4.946 3.880 301 HB VAL 42 HB VAL 42 -0.417 -2.863 2.673 302 HG11 VAL 42 1HG1 VAL 42 -0.481 -4.982 1.442 303 HG12 VAL 42 2HG1 VAL 42 -1.670 -3.852 0.797 304 HG13 VAL 42 3HG1 VAL 42 -2.188 -5.182 1.837 305 HG21 VAL 42 3HG2 VAL 42 -2.746 -2.162 2.267 306 HG22 VAL 42 1HG2 VAL 42 -2.344 -2.071 3.984 307 HG23 VAL 42 2HG2 VAL 42 -3.321 -3.410 3.377 308 H ILE 43 H ILE 43 1.428 -4.024 5.334 309 HA ILE 43 HA ILE 43 0.292 -2.376 7.508 310 HB ILE 43 HB ILE 43 2.959 -3.884 7.555 311 HG12 ILE 43 2HG1 ILE 43 1.720 -5.370 9.325 312 HG13 ILE 43 3HG1 ILE 43 0.237 -4.762 8.605 313 HG21 ILE 43 1HG2 ILE 43 1.413 -2.513 9.783 314 HG22 ILE 43 2HG2 ILE 43 2.896 -1.922 9.028 315 HG23 ILE 43 3HG2 ILE 43 2.923 -3.408 9.979 316 HD11 ILE 43 3HD1 ILE 43 0.856 -5.763 6.474 317 HD12 ILE 43 1HD1 ILE 43 0.852 -6.962 7.768 318 HD13 ILE 43 2HD1 ILE 43 2.382 -6.320 7.166 319 H TYR 44 H TYR 44 0.779 -0.242 7.335 320 HA TYR 44 HA TYR 44 2.620 0.791 5.428 321 HB2 TYR 44 2HB TYR 44 0.634 2.083 6.097 322 HB3 TYR 44 3HB TYR 44 1.218 2.176 7.756 323 HD1 TYR 44 HD2 TYR 44 2.058 3.191 4.251 324 HD2 TYR 44 HD1 TYR 44 2.668 3.978 8.408 325 HE1 TYR 44 HE2 TYR 44 3.305 5.227 3.685 326 HE2 TYR 44 HE1 TYR 44 3.916 6.003 7.839 327 HH TYR 44 HH TYR 44 3.919 7.361 4.732 328 H LYS 45 H LYS 45 4.781 0.972 5.617 329 HA LYS 45 HA LYS 45 6.040 0.859 8.296 330 HB2 LYS 45 2HB LYS 45 7.010 -0.125 5.584 331 HB3 LYS 45 3HB LYS 45 8.073 -0.021 6.986 332 HG2 LYS 45 2HG LYS 45 5.552 -1.708 6.769 333 HG3 LYS 45 3HG LYS 45 7.217 -2.304 6.723 334 HD2 LYS 45 2HD LYS 45 7.573 -1.528 9.048 335 HD3 LYS 45 3HD LYS 45 5.934 -0.875 9.094 336 HE2 LYS 45 2HE LYS 45 5.006 -3.123 8.894 337 HE3 LYS 45 3HE LYS 45 6.629 -3.808 8.757 338 HZ1 LYS 45 3HZ LYS 45 5.610 -2.304 11.108 339 HZ2 LYS 45 1HZ LYS 45 7.134 -3.022 10.966 340 HZ3 LYS 45 2HZ LYS 45 5.747 -3.984 11.012 341 H GLY 46 H GLY 46 6.133 2.561 5.159 342 HA2 GLY 46 2HA GLY 46 6.983 4.976 6.384 343 HA3 GLY 46 3HA GLY 46 8.374 4.177 5.657 344 H PHE 47 H PHE 47 7.991 6.501 4.746 345 HA PHE 47 HA PHE 47 7.300 6.121 1.950 346 HB2 PHE 47 2HB PHE 47 5.154 6.960 2.887 347 HB3 PHE 47 3HB PHE 47 5.986 8.299 3.670 348 HD1 PHE 47 HD2 PHE 47 6.131 6.918 0.172 349 HD2 PHE 47 HD1 PHE 47 5.291 10.292 2.650 350 HE1 PHE 47 HE2 PHE 47 5.715 8.282 -1.820 351 HE2 PHE 47 HE1 PHE 47 4.882 11.647 0.642 352 HZ PHE 47 HZ PHE 47 5.098 10.646 -1.589 353 H GLU 48 H GLU 48 9.203 6.679 1.117 354 HA GLU 48 HA GLU 48 10.590 9.134 1.822 355 HB2 GLU 48 2HB GLU 48 12.766 7.771 2.201 356 HB3 GLU 48 3HB GLU 48 11.599 7.842 3.519 357 HG2 GLU 48 2HG GLU 48 10.737 5.609 2.845 358 HG3 GLU 48 3HG GLU 48 11.962 5.534 1.583 359 H ASP 49 H ASP 49 11.652 9.963 0.124 360 HA ASP 49 HA ASP 49 12.445 10.343 -1.962 361 HB2 ASP 49 2HB ASP 49 12.824 7.312 -2.090 362 HB3 ASP 49 3HB ASP 49 13.396 8.419 -3.332 363 H GLY 50 H GLY 50 9.571 9.674 -1.365 364 HA2 GLY 50 2HA GLY 50 7.616 9.723 -2.615 365 HA3 GLY 50 3HA GLY 50 8.557 9.499 -4.081 366 H ILE 51 H ILE 51 9.473 7.189 -1.842 367 HA ILE 51 HA ILE 51 7.883 5.113 -3.215 368 HB ILE 51 HB ILE 51 10.451 4.809 -1.583 369 HG12 ILE 51 2HG1 ILE 51 10.945 6.100 -3.602 370 HG13 ILE 51 3HG1 ILE 51 11.592 4.476 -3.797 371 HG21 ILE 51 1HG2 ILE 51 9.029 2.791 -3.358 372 HG22 ILE 51 2HG2 ILE 51 9.126 2.739 -1.596 373 HG23 ILE 51 3HG2 ILE 51 10.587 2.543 -2.567 374 HD11 ILE 51 3HD1 ILE 51 9.659 3.912 -5.226 375 HD12 ILE 51 1HD1 ILE 51 10.619 5.254 -5.843 376 HD13 ILE 51 2HD1 ILE 51 9.077 5.572 -5.054 377 H VAL 52 H VAL 52 6.118 4.561 -2.102 378 HA VAL 52 HA VAL 52 5.928 4.747 0.785 379 HB VAL 52 HB VAL 52 3.894 3.385 -1.039 380 HG11 VAL 52 1HG1 VAL 52 3.598 4.704 1.682 381 HG12 VAL 52 2HG1 VAL 52 3.632 2.967 1.376 382 HG13 VAL 52 3HG1 VAL 52 2.299 3.944 0.756 383 HG21 VAL 52 3HG2 VAL 52 2.682 5.501 -1.205 384 HG22 VAL 52 1HG2 VAL 52 4.297 5.670 -1.898 385 HG23 VAL 52 2HG2 VAL 52 3.948 6.325 -0.296 386 H GLN 53 H GLN 53 6.957 3.240 1.926 387 HA GLN 53 HA GLN 53 7.482 0.580 0.829 388 HB2 GLN 53 2HB GLN 53 8.591 2.136 3.198 389 HB3 GLN 53 3HB GLN 53 8.994 0.447 2.896 390 HG2 GLN 53 2HG GLN 53 9.907 1.057 0.676 391 HG3 GLN 53 3HG GLN 53 9.505 2.748 0.979 392 HE21 GLN 53 1HE2 GLN 53 11.720 3.258 0.635 393 HE22 GLN 53 2HE2 GLN 53 12.898 2.986 1.870 394 H LEU 54 H LEU 54 6.036 -0.931 1.195 395 HA LEU 54 HA LEU 54 4.391 -0.946 3.670 396 HB2 LEU 54 2HB LEU 54 3.564 -1.840 0.873 397 HB3 LEU 54 3HB LEU 54 2.555 -1.900 2.313 398 HG LEU 54 HG LEU 54 3.545 0.619 0.923 399 HD11 LEU 54 1HD1 LEU 54 1.775 -0.509 -0.310 400 HD12 LEU 54 2HD1 LEU 54 1.193 0.996 0.394 401 HD13 LEU 54 3HD1 LEU 54 0.757 -0.548 1.135 402 HD21 LEU 54 3HD2 LEU 54 3.462 1.027 3.308 403 HD22 LEU 54 1HD2 LEU 54 1.841 0.329 3.418 404 HD23 LEU 54 2HD2 LEU 54 2.104 1.832 2.531 405 H LYS 55 H LYS 55 4.291 -2.847 4.735 406 HA LYS 55 HA LYS 55 5.810 -5.150 3.782 407 HB2 LYS 55 2HB LYS 55 6.025 -4.418 6.152 408 HB3 LYS 55 3HB LYS 55 4.303 -4.699 6.405 409 HG2 LYS 55 2HG LYS 55 4.634 -7.109 5.919 410 HG3 LYS 55 3HG LYS 55 6.364 -6.816 5.696 411 HD2 LYS 55 2HD LYS 55 6.501 -6.047 8.075 412 HD3 LYS 55 3HD LYS 55 4.787 -6.433 8.276 413 HE2 LYS 55 2HE LYS 55 5.242 -8.789 7.793 414 HE3 LYS 55 3HE LYS 55 6.945 -8.423 7.509 415 HZ1 LYS 55 3HZ LYS 55 5.507 -8.119 10.088 416 HZ2 LYS 55 1HZ LYS 55 7.132 -7.743 9.824 417 HZ3 LYS 55 2HZ LYS 55 6.603 -9.344 9.700 418 H LEU 56 H LEU 56 4.811 -6.958 2.917 419 HA LEU 56 HA LEU 56 1.843 -7.106 2.927 420 HB2 LEU 56 2HB LEU 56 3.779 -8.548 1.064 421 HB3 LEU 56 3HB LEU 56 2.024 -8.562 0.957 422 HG LEU 56 HG LEU 56 3.886 -6.224 0.385 423 HD11 LEU 56 1HD1 LEU 56 2.944 -6.326 -1.874 424 HD12 LEU 56 2HD1 LEU 56 1.970 -7.727 -1.416 425 HD13 LEU 56 3HD1 LEU 56 3.733 -7.837 -1.426 426 HD21 LEU 56 3HD2 LEU 56 0.853 -6.176 0.436 427 HD22 LEU 56 1HD2 LEU 56 1.896 -4.887 -0.177 428 HD23 LEU 56 2HD2 LEU 56 1.940 -5.316 1.531 429 H GLN 57 H GLN 57 0.836 -9.017 3.600 430 HA GLN 57 HA GLN 57 2.457 -10.797 5.308 431 HB2 GLN 57 2HB GLN 57 -0.487 -10.075 5.301 432 HB3 GLN 57 3HB GLN 57 0.083 -11.497 6.167 433 HG2 GLN 57 2HG GLN 57 1.008 -8.655 6.647 434 HG3 GLN 57 3HG GLN 57 -0.149 -9.540 7.640 435 HE21 GLN 57 1HE2 GLN 57 2.460 -8.372 8.341 436 HE22 GLN 57 2HE2 GLN 57 3.401 -9.664 8.997 437 H GLY 58 H GLY 58 1.495 -13.048 5.568 438 HA2 GLY 58 2HA GLY 58 1.975 -14.613 3.317 439 HA3 GLY 58 3HA GLY 58 1.203 -15.162 4.790 440 H SER 59 H SER 59 0.495 -16.291 2.436 441 HA SER 59 HA SER 59 -1.202 -16.910 1.125 442 HB2 SER 59 2HB SER 59 -2.931 -14.774 2.457 443 HB3 SER 59 3HB SER 59 -3.518 -16.073 1.407 444 HG SER 59 HG SER 59 -2.043 -17.192 3.312 445 H CYS 60 H CYS 60 -1.110 -13.321 1.367 446 HA CYS 60 HA CYS 60 -1.409 -12.829 -1.437 447 HB2 CYS 60 2HB CYS 60 -1.914 -11.070 0.196 448 HB3 CYS 60 3HB CYS 60 -0.248 -11.087 0.775 449 HG CYS 60 HG CYS 60 -0.283 -10.556 -2.476 450 H THR 61 H THR 61 1.377 -13.114 0.767 451 HA THR 61 HA THR 61 3.361 -12.686 -1.270 452 HB THR 61 HB THR 61 4.980 -13.460 0.531 453 HG1 THR 61 HG1 THR 61 4.210 -14.117 2.436 454 HG21 THR 61 3HG2 THR 61 4.685 -11.491 1.978 455 HG22 THR 61 1HG2 THR 61 3.036 -11.274 1.383 456 HG23 THR 61 2HG2 THR 61 4.406 -11.051 0.293 457 H SER 62 H SER 62 1.562 -15.439 -0.187 458 HA SER 62 HA SER 62 3.321 -17.566 -0.703 459 HB2 SER 62 2HB SER 62 0.277 -17.510 -0.945 460 HB3 SER 62 3HB SER 62 1.268 -18.969 -0.835 461 HG SER 62 HG SER 62 2.028 -18.063 1.215 462 H CYS 63 H CYS 63 1.110 -15.820 -2.858 463 HA CYS 63 HA CYS 63 2.226 -17.249 -5.193 464 HB2 CYS 63 2HB CYS 63 0.117 -16.345 -6.348 465 HB3 CYS 63 3HB CYS 63 -0.130 -17.588 -5.126 466 HG CYS 63 HG CYS 63 -2.204 -15.937 -4.683 467 HA PRO 64 HA PRO 64 4.574 -13.525 -5.633 468 HB2 PRO 64 2HB PRO 64 5.807 -13.998 -8.042 469 HB3 PRO 64 3HB PRO 64 6.199 -14.901 -6.563 470 HG2 PRO 64 2HG PRO 64 4.409 -15.715 -8.835 471 HG3 PRO 64 3HG PRO 64 5.645 -16.666 -7.976 472 HD2 PRO 64 2HD PRO 64 2.987 -16.889 -7.397 473 HD3 PRO 64 3HD PRO 64 4.250 -17.111 -6.168 474 H SER 65 H SER 65 2.308 -14.341 -8.245 475 HA SER 65 HA SER 65 2.426 -11.821 -9.586 476 HB2 SER 65 2HB SER 65 0.218 -13.917 -9.602 477 HB3 SER 65 3HB SER 65 0.318 -12.540 -10.700 478 HG SER 65 HG SER 65 1.689 -14.917 -10.727 479 H SER 66 H SER 66 0.475 -13.109 -6.916 480 HA SER 66 HA SER 66 -1.425 -11.029 -6.688 481 HB2 SER 66 2HB SER 66 -1.798 -13.182 -5.601 482 HB3 SER 66 3HB SER 66 -0.360 -12.978 -4.603 483 HG SER 66 HG SER 66 -2.010 -12.388 -3.325 484 H ILE 67 H ILE 67 1.813 -11.465 -5.302 485 HA ILE 67 HA ILE 67 1.995 -9.311 -3.542 486 HB ILE 67 HB ILE 67 4.161 -10.433 -5.388 487 HG12 ILE 67 2HG1 ILE 67 3.508 -11.161 -2.496 488 HG13 ILE 67 3HG1 ILE 67 3.194 -12.167 -3.905 489 HG21 ILE 67 1HG2 ILE 67 4.515 -8.749 -2.889 490 HG22 ILE 67 2HG2 ILE 67 4.818 -8.222 -4.545 491 HG23 ILE 67 3HG2 ILE 67 5.815 -9.486 -3.826 492 HD11 ILE 67 3HD1 ILE 67 5.621 -12.335 -4.302 493 HD12 ILE 67 1HD1 ILE 67 5.140 -12.954 -2.722 494 HD13 ILE 67 2HD1 ILE 67 5.913 -11.374 -2.848 495 H ILE 68 H ILE 68 2.728 -9.461 -7.007 496 HA ILE 68 HA ILE 68 3.629 -6.766 -7.248 497 HB ILE 68 HB ILE 68 2.902 -8.778 -9.425 498 HG12 ILE 68 2HG1 ILE 68 5.618 -8.097 -8.191 499 HG13 ILE 68 3HG1 ILE 68 4.710 -9.574 -7.895 500 HG21 ILE 68 1HG2 ILE 68 4.519 -6.209 -9.630 501 HG22 ILE 68 2HG2 ILE 68 2.910 -6.475 -10.305 502 HG23 ILE 68 3HG2 ILE 68 4.289 -7.380 -10.933 503 HD11 ILE 68 3HD1 ILE 68 6.508 -9.980 -9.436 504 HD12 ILE 68 1HD1 ILE 68 5.921 -8.719 -10.521 505 HD13 ILE 68 2HD1 ILE 68 4.964 -10.180 -10.261 506 H THR 69 H THR 69 0.619 -8.454 -8.211 507 HA THR 69 HA THR 69 -0.684 -6.342 -9.525 508 HB THR 69 HB THR 69 -1.963 -8.660 -7.998 509 HG1 THR 69 HG1 THR 69 -0.524 -8.574 -10.299 510 HG21 THR 69 3HG2 THR 69 -3.859 -8.366 -9.584 511 HG22 THR 69 1HG2 THR 69 -3.079 -6.929 -10.240 512 HG23 THR 69 2HG2 THR 69 -3.636 -6.942 -8.563 513 H LEU 70 H LEU 70 -0.746 -7.374 -6.110 514 HA LEU 70 HA LEU 70 -2.679 -5.545 -5.169 515 HB2 LEU 70 2HB LEU 70 -2.009 -7.542 -3.885 516 HB3 LEU 70 3HB LEU 70 -0.389 -6.891 -3.687 517 HG LEU 70 HG LEU 70 -1.300 -5.030 -2.303 518 HD11 LEU 70 1HD1 LEU 70 -3.618 -5.055 -1.521 519 HD12 LEU 70 2HD1 LEU 70 -3.983 -6.408 -2.595 520 HD13 LEU 70 3HD1 LEU 70 -3.529 -4.839 -3.267 521 HD21 LEU 70 3HD2 LEU 70 -0.485 -7.030 -1.184 522 HD22 LEU 70 1HD2 LEU 70 -2.074 -7.787 -1.317 523 HD23 LEU 70 2HD2 LEU 70 -1.857 -6.354 -0.310 524 H LYS 71 H LYS 71 0.887 -5.469 -5.042 525 HA LYS 71 HA LYS 71 1.240 -2.968 -3.841 526 HB2 LYS 71 2HB LYS 71 3.016 -4.610 -3.916 527 HB3 LYS 71 3HB LYS 71 3.040 -4.613 -5.668 528 HG2 LYS 71 2HG LYS 71 3.710 -2.054 -4.206 529 HG3 LYS 71 3HG LYS 71 4.909 -3.346 -4.247 530 HD2 LYS 71 2HD LYS 71 3.688 -1.921 -6.653 531 HD3 LYS 71 3HD LYS 71 5.340 -1.754 -6.054 532 HE2 LYS 71 2HE LYS 71 5.727 -4.171 -6.571 533 HE3 LYS 71 3HE LYS 71 4.103 -4.251 -7.265 534 HZ1 LYS 71 3HZ LYS 71 6.313 -2.510 -8.222 535 HZ2 LYS 71 1HZ LYS 71 4.768 -2.602 -8.904 536 HZ3 LYS 71 2HZ LYS 71 5.797 -3.942 -8.952 537 H ASN 72 H ASN 72 0.791 -3.826 -7.255 538 HA ASN 72 HA ASN 72 1.362 -1.234 -8.344 539 HB2 ASN 72 2HB ASN 72 -0.072 -3.649 -9.522 540 HB3 ASN 72 3HB ASN 72 0.166 -2.158 -10.427 541 HD21 ASN 72 1HD2 ASN 72 1.121 -4.755 -11.103 542 HD22 ASN 72 2HD2 ASN 72 2.844 -4.655 -11.190 543 H GLY 73 H GLY 73 -1.633 -2.931 -7.413 544 HA2 GLY 73 2HA GLY 73 -3.514 -1.033 -8.318 545 HA3 GLY 73 3HA GLY 73 -3.764 -2.199 -7.028 546 H ILE 74 H ILE 74 -1.920 -1.443 -5.189 547 HA ILE 74 HA ILE 74 -3.000 0.759 -3.795 548 HB ILE 74 HB ILE 74 -0.281 -0.594 -3.421 549 HG12 ILE 74 2HG1 ILE 74 -2.874 -1.175 -1.918 550 HG13 ILE 74 3HG1 ILE 74 -2.240 -2.172 -3.223 551 HG21 ILE 74 1HG2 ILE 74 -0.380 0.297 -1.103 552 HG22 ILE 74 2HG2 ILE 74 -1.847 1.178 -1.515 553 HG23 ILE 74 3HG2 ILE 74 -0.323 1.579 -2.311 554 HD11 ILE 74 3HD1 ILE 74 -0.884 -1.671 -0.570 555 HD12 ILE 74 1HD1 ILE 74 -0.244 -2.658 -1.889 556 HD13 ILE 74 2HD1 ILE 74 -1.726 -3.138 -1.067 557 H GLN 75 H GLN 75 -0.114 0.330 -5.818 558 HA GLN 75 HA GLN 75 1.192 2.762 -5.359 559 HB2 GLN 75 2HB GLN 75 2.155 0.712 -6.494 560 HB3 GLN 75 3HB GLN 75 1.235 1.128 -7.937 561 HG2 GLN 75 2HG GLN 75 2.502 3.193 -8.196 562 HG3 GLN 75 3HG GLN 75 3.344 2.900 -6.673 563 HE21 GLN 75 1HE2 GLN 75 4.771 1.070 -6.554 564 HE22 GLN 75 2HE2 GLN 75 5.559 0.495 -7.977 565 H ASN 76 H ASN 76 -1.006 1.799 -7.969 566 HA ASN 76 HA ASN 76 -1.090 4.277 -9.300 567 HB2 ASN 76 2HB ASN 76 -3.109 1.990 -9.361 568 HB3 ASN 76 3HB ASN 76 -3.040 3.312 -10.525 569 HD21 ASN 76 1HD2 ASN 76 -2.805 0.429 -10.947 570 HD22 ASN 76 2HD2 ASN 76 -1.280 0.170 -11.712 571 H MET 77 H MET 77 -3.008 2.918 -6.647 572 HA MET 77 HA MET 77 -5.072 4.875 -6.542 573 HB2 MET 77 2HB MET 77 -5.219 2.703 -5.346 574 HB3 MET 77 3HB MET 77 -3.887 3.175 -4.302 575 HG2 MET 77 2HG MET 77 -5.360 5.124 -3.528 576 HG3 MET 77 3HG MET 77 -6.684 4.320 -4.367 577 HE1 MET 77 3HE MET 77 -4.470 2.611 -0.689 578 HE2 MET 77 1HE MET 77 -4.160 4.203 -1.382 579 HE3 MET 77 2HE MET 77 -3.676 2.747 -2.257 580 H LEU 78 H LEU 78 -1.993 4.579 -4.777 581 HA LEU 78 HA LEU 78 -2.287 6.946 -3.233 582 HB2 LEU 78 2HB LEU 78 0.114 5.171 -3.809 583 HB3 LEU 78 3HB LEU 78 0.185 6.545 -2.720 584 HG LEU 78 HG LEU 78 -1.602 4.111 -2.317 585 HD11 LEU 78 1HD1 LEU 78 -0.091 3.501 -0.495 586 HD12 LEU 78 2HD1 LEU 78 0.959 4.869 -0.883 587 HD13 LEU 78 3HD1 LEU 78 0.766 3.545 -2.036 588 HD21 LEU 78 3HD2 LEU 78 -1.069 6.466 -0.472 589 HD22 LEU 78 1HD2 LEU 78 -2.021 5.030 -0.078 590 HD23 LEU 78 2HD2 LEU 78 -2.577 6.136 -1.332 591 H GLN 79 H GLN 79 -0.815 6.274 -6.380 592 HA GLN 79 HA GLN 79 0.440 8.869 -6.643 593 HB2 GLN 79 2HB GLN 79 -0.149 6.758 -8.766 594 HB3 GLN 79 3HB GLN 79 0.800 8.221 -9.030 595 HG2 GLN 79 2HG GLN 79 2.393 7.408 -7.250 596 HG3 GLN 79 3HG GLN 79 1.508 5.891 -7.225 597 HE21 GLN 79 1HE2 GLN 79 3.659 7.924 -9.050 598 HE22 GLN 79 2HE2 GLN 79 4.119 6.731 -10.212 599 H PHE 80 H PHE 80 -2.682 7.537 -7.217 600 HA PHE 80 HA PHE 80 -3.700 9.452 -9.086 601 HB2 PHE 80 2HB PHE 80 -4.598 7.148 -8.844 602 HB3 PHE 80 3HB PHE 80 -5.124 7.514 -7.211 603 HD1 PHE 80 HD1 PHE 80 -5.615 8.565 -10.773 604 HD2 PHE 80 HD2 PHE 80 -7.339 8.274 -6.859 605 HE1 PHE 80 HE1 PHE 80 -7.805 9.219 -11.680 606 HE2 PHE 80 HE2 PHE 80 -9.518 8.935 -7.778 607 HZ PHE 80 HZ PHE 80 -9.753 9.404 -10.185 608 H TYR 81 H TYR 81 -3.988 8.990 -5.544 609 HA TYR 81 HA TYR 81 -5.477 11.457 -5.165 610 HB2 TYR 81 2HB TYR 81 -4.285 9.471 -3.182 611 HB3 TYR 81 3HB TYR 81 -5.194 10.898 -2.697 612 HD1 TYR 81 HD1 TYR 81 -7.608 11.134 -3.785 613 HD2 TYR 81 HD2 TYR 81 -5.485 7.436 -3.446 614 HE1 TYR 81 HE1 TYR 81 -9.722 9.904 -3.956 615 HE2 TYR 81 HE2 TYR 81 -7.606 6.210 -3.620 616 HH TYR 81 HH TYR 81 -10.517 7.702 -4.588 617 H ILE 82 H ILE 82 -2.164 10.327 -4.631 618 HA ILE 82 HA ILE 82 -1.367 12.967 -3.528 619 HB ILE 82 HB ILE 82 -0.020 10.275 -3.058 620 HG12 ILE 82 2HG1 ILE 82 -1.820 11.774 -1.101 621 HG13 ILE 82 3HG1 ILE 82 -2.347 10.398 -2.066 622 HG21 ILE 82 1HG2 ILE 82 0.400 12.943 -1.671 623 HG22 ILE 82 2HG2 ILE 82 1.498 12.200 -2.838 624 HG23 ILE 82 3HG2 ILE 82 1.219 11.431 -1.275 625 HD11 ILE 82 3HD1 ILE 82 -0.192 10.370 0.040 626 HD12 ILE 82 1HD1 ILE 82 -0.674 8.995 -0.960 627 HD13 ILE 82 2HD1 ILE 82 -1.822 9.708 0.171 628 HA PRO 83 HA PRO 83 1.255 13.127 -7.303 629 HB2 PRO 83 2HB PRO 83 2.393 15.583 -6.758 630 HB3 PRO 83 3HB PRO 83 0.748 15.408 -7.408 631 HG2 PRO 83 2HG PRO 83 1.596 15.792 -4.542 632 HG3 PRO 83 3HG PRO 83 0.335 16.653 -5.458 633 HD2 PRO 83 2HD PRO 83 -0.313 14.648 -3.794 634 HD3 PRO 83 3HD PRO 83 -1.170 14.852 -5.341 635 H GLU 84 H GLU 84 2.301 13.363 -3.944 636 HA GLU 84 HA GLU 84 5.109 13.498 -4.386 637 HB2 GLU 84 2HB GLU 84 3.708 12.498 -1.872 638 HB3 GLU 84 3HB GLU 84 5.352 13.121 -1.991 639 HG2 GLU 84 2HG GLU 84 2.777 14.677 -2.334 640 HG3 GLU 84 3HG GLU 84 3.925 14.806 -1.003 641 H VAL 85 H VAL 85 2.880 10.803 -4.077 642 HA VAL 85 HA VAL 85 4.821 8.746 -3.707 643 HB VAL 85 HB VAL 85 1.981 8.536 -4.794 644 HG11 VAL 85 1HG1 VAL 85 2.120 6.136 -4.155 645 HG12 VAL 85 2HG1 VAL 85 3.820 6.355 -3.733 646 HG13 VAL 85 3HG1 VAL 85 3.294 6.553 -5.406 647 HG21 VAL 85 3HG2 VAL 85 3.009 8.150 -1.957 648 HG22 VAL 85 1HG2 VAL 85 1.355 7.866 -2.498 649 HG23 VAL 85 2HG2 VAL 85 2.019 9.497 -2.527 650 H GLU 86 H GLU 86 6.378 8.669 -5.160 651 HA GLU 86 HA GLU 86 5.951 8.754 -8.047 652 HB2 GLU 86 2HB GLU 86 8.492 8.404 -6.395 653 HB3 GLU 86 3HB GLU 86 8.433 8.668 -8.138 654 HG2 GLU 86 2HG GLU 86 7.476 10.901 -7.805 655 HG3 GLU 86 3HG GLU 86 7.417 10.642 -6.060 656 H GLY 87 H GLY 87 6.299 6.436 -5.509 657 HA2 GLY 87 2HA GLY 87 5.662 4.221 -7.192 658 HA3 GLY 87 3HA GLY 87 7.365 4.189 -6.728 659 H VAL 88 H VAL 88 6.074 2.115 -5.949 660 HA VAL 88 HA VAL 88 5.856 2.323 -3.010 661 HB VAL 88 HB VAL 88 3.776 0.891 -4.765 662 HG11 VAL 88 1HG1 VAL 88 4.030 0.785 -1.734 663 HG12 VAL 88 2HG1 VAL 88 4.336 -0.554 -2.842 664 HG13 VAL 88 3HG1 VAL 88 2.704 0.096 -2.677 665 HG21 VAL 88 3HG2 VAL 88 2.111 2.319 -3.636 666 HG22 VAL 88 1HG2 VAL 88 3.314 3.290 -4.493 667 HG23 VAL 88 2HG2 VAL 88 3.405 3.119 -2.741 668 H GLU 89 H GLU 89 6.832 0.567 -2.022 669 HA GLU 89 HA GLU 89 7.794 -1.680 -3.700 670 HB2 GLU 89 2HB GLU 89 9.633 -0.025 -3.343 671 HB3 GLU 89 3HB GLU 89 9.431 -0.168 -1.599 672 HG2 GLU 89 2HG GLU 89 10.088 -2.549 -1.713 673 HG3 GLU 89 3HG GLU 89 10.267 -2.424 -3.463 674 H GLN 90 H GLN 90 7.860 -3.669 -2.663 675 HA GLN 90 HA GLN 90 6.439 -4.011 -0.147 676 HB2 GLN 90 2HB GLN 90 6.059 -5.644 -1.964 677 HB3 GLN 90 3HB GLN 90 7.778 -6.023 -2.021 678 HG2 GLN 90 2HG GLN 90 7.543 -6.810 0.410 679 HG3 GLN 90 3HG GLN 90 5.801 -6.683 0.184 680 HE21 GLN 90 1HE2 GLN 90 5.486 -8.904 0.502 681 HE22 GLN 90 2HE2 GLN 90 5.994 -10.092 -0.643 682 H VAL 91 H VAL 91 7.569 -3.683 1.683 683 HA VAL 91 HA VAL 91 10.382 -4.591 1.885 684 HB VAL 91 HB VAL 91 10.532 -3.042 3.860 685 HG11 VAL 91 1HG1 VAL 91 10.772 -0.960 2.537 686 HG12 VAL 91 2HG1 VAL 91 9.825 -1.678 1.231 687 HG13 VAL 91 3HG1 VAL 91 11.403 -2.352 1.648 688 HG21 VAL 91 3HG2 VAL 91 8.165 -2.793 4.450 689 HG22 VAL 91 1HG2 VAL 91 7.849 -1.967 2.922 690 HG23 VAL 91 2HG2 VAL 91 8.885 -1.212 4.139 691 H MET 92 H MET 92 10.540 -6.494 2.895 692 HA MET 92 HA MET 92 8.570 -7.376 4.848 693 HB2 MET 92 2HB MET 92 10.099 -9.414 5.019 694 HB3 MET 92 3HB MET 92 9.394 -9.123 3.438 695 HG2 MET 92 2HG MET 92 11.548 -8.139 2.690 696 HG3 MET 92 3HG MET 92 12.245 -8.526 4.261 697 HE1 MET 92 3HE MET 92 9.697 -10.688 2.077 698 HE2 MET 92 1HE MET 92 10.839 -11.707 1.199 699 HE3 MET 92 2HE MET 92 10.791 -9.973 0.890 700 H ASP 93 H ASP 93 8.780 -5.653 6.270 701 HA ASP 93 HA ASP 93 11.209 -5.286 7.846 702 HB2 ASP 93 2HB ASP 93 9.861 -3.304 7.271 703 HB3 ASP 93 3HB ASP 93 8.435 -4.022 8.011 704 H ASP 94 H ASP 94 11.592 -6.941 9.208 705 HA ASP 94 HA ASP 94 9.579 -7.973 11.024 706 HB2 ASP 94 2HB ASP 94 9.020 -9.182 8.948 707 HB3 ASP 94 3HB ASP 94 10.694 -9.687 8.749 708 H GLU 95 H GLU 95 10.442 -9.586 12.482 709 HA GLU 95 HA GLU 95 13.300 -10.110 12.608 710 HB2 GLU 95 2HB GLU 95 13.477 -9.207 14.944 711 HB3 GLU 95 3HB GLU 95 13.212 -7.953 13.737 712 HG2 GLU 95 2HG GLU 95 10.775 -7.941 14.354 713 HG3 GLU 95 3HG GLU 95 11.128 -9.101 15.632 714 H SER 96 H SER 96 10.532 -11.500 12.453 715 HA SER 96 HA SER 96 10.936 -13.476 14.583 716 HB2 SER 96 2HB SER 96 8.457 -13.263 15.218 717 HB3 SER 96 3HB SER 96 9.506 -11.954 15.753 718 HG SER 96 HG SER 96 7.950 -10.823 14.858 719 H ASP 97 H ASP 97 8.358 -12.635 12.194 720 HA ASP 97 HA ASP 97 8.964 -14.838 10.464 721 HB2 ASP 97 2HB ASP 97 7.822 -16.182 12.187 722 HB3 ASP 97 3HB ASP 97 6.434 -15.099 12.157 Start of MODEL 4 1 H1 MET 1 1H MET 1 -1.799 23.557 -19.162 2 H2 MET 1 2H MET 1 -2.005 24.817 -20.267 3 H3 MET 1 3H MET 1 -0.723 24.857 -19.167 4 HA MET 1 HA MET 1 -1.093 22.846 -21.289 5 HB2 MET 1 2HB MET 1 0.885 23.973 -22.403 6 HB3 MET 1 3HB MET 1 -0.588 24.924 -22.384 7 HG2 MET 1 2HG MET 1 0.306 26.277 -20.526 8 HG3 MET 1 3HG MET 1 1.786 25.319 -20.546 9 HE1 MET 1 3HE MET 1 0.498 28.140 -23.983 10 HE2 MET 1 1HE MET 1 -0.370 28.025 -22.453 11 HE3 MET 1 2HE MET 1 -0.395 26.672 -23.587 12 H GLY 2 H GLY 2 -0.617 21.086 -20.038 13 HA2 GLY 2 2HA GLY 2 0.710 19.463 -19.144 14 HA3 GLY 2 3HA GLY 2 2.107 20.432 -19.584 15 H HIS 3 H HIS 3 2.869 22.007 -18.127 16 HA HIS 3 HA HIS 3 3.736 22.629 -16.161 17 HB2 HIS 3 2HB HIS 3 1.409 23.597 -15.874 18 HB3 HIS 3 3HB HIS 3 0.973 22.160 -14.960 19 HD1 HIS 3 HD1 HIS 3 0.863 22.818 -12.561 20 HD2 HIS 3 HD2 HIS 3 4.055 24.648 -14.488 21 HE1 HIS 3 HE1 HIS 3 2.053 24.144 -10.796 22 HE2 HIS 3 HE2 HIS 3 3.891 25.347 -12.017 23 H HIS 4 H HIS 4 4.393 20.233 -16.884 24 HA HIS 4 HA HIS 4 3.988 18.096 -15.042 25 HB2 HIS 4 2HB HIS 4 4.702 17.806 -17.434 26 HB3 HIS 4 3HB HIS 4 6.256 18.531 -17.040 27 HD1 HIS 4 HD1 HIS 4 4.252 15.385 -16.606 28 HD2 HIS 4 HD2 HIS 4 8.077 16.780 -15.797 29 HE1 HIS 4 HE1 HIS 4 5.595 13.355 -15.994 30 HE2 HIS 4 HE2 HIS 4 7.874 14.245 -15.412 31 H HIS 5 H HIS 5 5.323 17.361 -13.383 32 HA HIS 5 HA HIS 5 6.756 19.442 -11.947 33 HB2 HIS 5 2HB HIS 5 6.024 16.585 -11.180 34 HB3 HIS 5 3HB HIS 5 6.801 17.734 -10.097 35 HD1 HIS 5 HD1 HIS 5 4.426 16.916 -8.834 36 HD2 HIS 5 HD2 HIS 5 4.157 19.732 -11.874 37 HE1 HIS 5 HE1 HIS 5 2.226 18.065 -8.496 38 HE2 HIS 5 HE2 HIS 5 2.018 19.632 -10.447 39 H HIS 6 H HIS 6 8.431 19.567 -13.583 40 HA HIS 6 HA HIS 6 10.138 17.415 -14.302 41 HB2 HIS 6 2HB HIS 6 9.733 19.291 -15.819 42 HB3 HIS 6 3HB HIS 6 10.414 20.426 -14.665 43 HD1 HIS 6 HD1 HIS 6 12.781 21.042 -15.106 44 HD2 HIS 6 HD2 HIS 6 11.842 17.343 -16.738 45 HE1 HIS 6 HE1 HIS 6 14.803 20.346 -16.410 46 HE2 HIS 6 HE2 HIS 6 14.277 18.023 -17.213 47 H HIS 7 H HIS 7 10.634 20.295 -12.223 48 HA HIS 7 HA HIS 7 13.377 19.871 -11.777 49 HB2 HIS 7 2HB HIS 7 13.276 21.676 -10.192 50 HB3 HIS 7 3HB HIS 7 12.135 22.062 -11.468 51 HD1 HIS 7 HD1 HIS 7 12.420 22.001 -7.882 52 HD2 HIS 7 HD2 HIS 7 9.328 21.390 -10.591 53 HE1 HIS 7 HE1 HIS 7 10.303 22.307 -6.576 54 HE2 HIS 7 HE2 HIS 7 8.461 22.052 -8.260 55 H HIS 8 H HIS 8 10.584 18.623 -10.055 56 HA HIS 8 HA HIS 8 10.254 17.066 -8.492 57 HB2 HIS 8 2HB HIS 8 13.138 16.337 -9.061 58 HB3 HIS 8 3HB HIS 8 12.157 15.439 -7.908 59 HD1 HIS 8 HD1 HIS 8 13.119 15.350 -11.335 60 HD2 HIS 8 HD2 HIS 8 9.645 14.464 -9.251 61 HE1 HIS 8 HE1 HIS 8 11.815 13.831 -12.824 62 HE2 HIS 8 HE2 HIS 8 9.826 13.147 -11.454 63 H SER 9 H SER 9 13.561 18.162 -7.674 64 HA SER 9 HA SER 9 13.717 18.034 -5.035 65 HB2 SER 9 2HB SER 9 14.605 20.392 -6.726 66 HB3 SER 9 3HB SER 9 15.216 20.036 -5.108 67 HG SER 9 HG SER 9 16.283 18.335 -5.852 68 H HIS 10 H HIS 10 12.057 18.343 -3.694 69 HA HIS 10 HA HIS 10 10.278 20.582 -3.744 70 HB2 HIS 10 2HB HIS 10 10.726 18.326 -1.757 71 HB3 HIS 10 3HB HIS 10 9.550 19.600 -1.464 72 HD1 HIS 10 HD1 HIS 10 7.398 19.595 -2.829 73 HD2 HIS 10 HD2 HIS 10 9.950 16.472 -3.798 74 HE1 HIS 10 HE1 HIS 10 6.022 18.000 -4.181 75 HE2 HIS 10 HE2 HIS 10 7.518 16.009 -4.493 76 H MET 11 H MET 11 10.819 22.569 -3.098 77 HA MET 11 HA MET 11 13.124 23.075 -1.417 78 HB2 MET 11 2HB MET 11 12.586 24.530 -3.366 79 HB3 MET 11 3HB MET 11 11.087 25.020 -2.594 80 HG2 MET 11 2HG MET 11 12.387 26.064 -0.766 81 HG3 MET 11 3HG MET 11 13.885 25.591 -1.570 82 HE1 MET 11 3HE MET 11 13.217 26.143 -4.670 83 HE2 MET 11 1HE MET 11 14.719 26.665 -3.903 84 HE3 MET 11 2HE MET 11 13.752 27.815 -4.825 85 H GLY 12 H GLY 12 12.460 21.990 0.457 86 HA2 GLY 12 2HA GLY 12 11.626 23.197 2.676 87 HA3 GLY 12 3HA GLY 12 10.071 22.814 1.936 88 H SER 13 H SER 13 10.315 21.702 4.244 89 HA SER 13 HA SER 13 11.552 19.055 4.144 90 HB2 SER 13 2HB SER 13 9.921 20.385 6.358 91 HB3 SER 13 3HB SER 13 10.885 18.915 6.512 92 HG SER 13 HG SER 13 11.993 21.404 5.732 93 H GLU 14 H GLU 14 9.939 18.867 2.177 94 HA GLU 14 HA GLU 14 7.197 18.124 2.873 95 HB2 GLU 14 2HB GLU 14 8.673 18.421 0.233 96 HB3 GLU 14 3HB GLU 14 7.008 17.849 0.337 97 HG2 GLU 14 2HG GLU 14 6.318 19.960 1.387 98 HG3 GLU 14 3HG GLU 14 7.985 20.532 1.381 99 H GLU 15 H GLU 15 6.574 16.095 1.079 100 HA GLU 15 HA GLU 15 6.244 13.848 1.167 101 HB2 GLU 15 2HB GLU 15 8.575 13.816 0.235 102 HB3 GLU 15 3HB GLU 15 9.222 13.744 1.863 103 HG2 GLU 15 2HG GLU 15 8.254 11.521 2.173 104 HG3 GLU 15 3HG GLU 15 7.514 11.600 0.575 105 H ASP 16 H ASP 16 5.907 15.579 3.469 106 HA ASP 16 HA ASP 16 7.036 14.440 5.876 107 HB2 ASP 16 2HB ASP 16 5.970 16.422 6.958 108 HB3 ASP 16 3HB ASP 16 6.954 16.872 5.569 109 H ASP 17 H ASP 17 5.194 14.878 7.798 110 HA ASP 17 HA ASP 17 3.838 12.419 7.903 111 HB2 ASP 17 2HB ASP 17 2.979 13.172 10.083 112 HB3 ASP 17 3HB ASP 17 4.686 13.562 9.917 113 H GLY 18 H GLY 18 2.754 15.491 6.679 114 HA2 GLY 18 2HA GLY 18 -0.062 15.137 6.826 115 HA3 GLY 18 3HA GLY 18 0.801 16.120 5.654 116 H VAL 19 H VAL 19 2.258 14.415 4.228 117 HA VAL 19 HA VAL 19 0.502 13.083 2.460 118 HB VAL 19 HB VAL 19 3.513 12.633 2.764 119 HG11 VAL 19 1HG1 VAL 19 2.459 10.906 1.379 120 HG12 VAL 19 2HG1 VAL 19 3.440 11.972 0.372 121 HG13 VAL 19 3HG1 VAL 19 1.684 12.144 0.386 122 HG21 VAL 19 3HG2 VAL 19 2.087 14.678 1.018 123 HG22 VAL 19 1HG2 VAL 19 3.826 14.362 1.031 124 HG23 VAL 19 2HG2 VAL 19 3.039 15.036 2.461 125 H VAL 20 H VAL 20 2.722 11.902 4.938 126 HA VAL 20 HA VAL 20 2.478 9.136 4.701 127 HB VAL 20 HB VAL 20 3.157 10.944 7.064 128 HG11 VAL 20 1HG1 VAL 20 4.135 8.997 8.234 129 HG12 VAL 20 2HG1 VAL 20 3.478 7.928 6.996 130 HG13 VAL 20 3HG1 VAL 20 2.388 8.833 8.043 131 HG21 VAL 20 3HG2 VAL 20 5.494 10.288 6.567 132 HG22 VAL 20 1HG2 VAL 20 4.722 11.016 5.154 133 HG23 VAL 20 2HG2 VAL 20 4.930 9.265 5.242 134 H ALA 21 H ALA 21 0.523 11.416 6.610 135 HA ALA 21 HA ALA 21 -0.982 9.525 8.099 136 HB1 ALA 21 3HB ALA 21 -1.699 12.394 7.389 137 HB2 ALA 21 1HB ALA 21 -0.734 11.882 8.772 138 HB3 ALA 21 2HB ALA 21 -2.435 11.427 8.674 139 H MET 22 H MET 22 -1.684 11.258 5.046 140 HA MET 22 HA MET 22 -4.343 10.195 4.833 141 HB2 MET 22 2HB MET 22 -4.503 11.280 2.679 142 HB3 MET 22 3HB MET 22 -3.783 12.381 3.840 143 HG2 MET 22 2HG MET 22 -1.591 12.055 2.860 144 HG3 MET 22 3HG MET 22 -2.223 10.825 1.765 145 HE1 MET 22 3HE MET 22 -5.107 12.251 1.003 146 HE2 MET 22 1HE MET 22 -4.074 11.394 -0.145 147 HE3 MET 22 2HE MET 22 -4.621 13.029 -0.503 148 H ILE 23 H ILE 23 -1.169 9.116 3.693 149 HA ILE 23 HA ILE 23 -2.074 7.092 1.911 150 HB ILE 23 HB ILE 23 0.465 7.079 3.627 151 HG12 ILE 23 2HG1 ILE 23 0.077 7.859 0.702 152 HG13 ILE 23 3HG1 ILE 23 0.372 8.979 2.022 153 HG21 ILE 23 1HG2 ILE 23 -0.249 5.330 1.236 154 HG22 ILE 23 2HG2 ILE 23 -0.122 4.791 2.911 155 HG23 ILE 23 3HG2 ILE 23 1.315 5.349 2.056 156 HD11 ILE 23 3HD1 ILE 23 2.288 6.904 0.969 157 HD12 ILE 23 1HD1 ILE 23 2.591 7.963 2.352 158 HD13 ILE 23 2HD1 ILE 23 2.372 8.651 0.745 159 H LYS 24 H LYS 24 -1.282 7.063 5.403 160 HA LYS 24 HA LYS 24 -1.775 4.442 6.096 161 HB2 LYS 24 2HB LYS 24 -2.307 6.974 7.688 162 HB3 LYS 24 3HB LYS 24 -2.420 5.361 8.392 163 HG2 LYS 24 2HG LYS 24 -0.050 4.969 7.937 164 HG3 LYS 24 3HG LYS 24 0.089 6.561 7.175 165 HD2 LYS 24 2HD LYS 24 -0.471 7.659 9.313 166 HD3 LYS 24 3HD LYS 24 -0.717 6.088 10.082 167 HE2 LYS 24 2HE LYS 24 1.669 5.554 9.710 168 HE3 LYS 24 3HE LYS 24 1.900 7.141 8.979 169 HZ1 LYS 24 3HZ LYS 24 1.010 6.679 11.770 170 HZ2 LYS 24 1HZ LYS 24 1.350 8.174 11.063 171 HZ3 LYS 24 2HZ LYS 24 2.593 7.054 11.310 172 H GLU 25 H GLU 25 -4.175 7.104 5.871 173 HA GLU 25 HA GLU 25 -6.333 5.489 6.833 174 HB2 GLU 25 2HB GLU 25 -7.744 7.349 6.585 175 HB3 GLU 25 3HB GLU 25 -6.179 8.061 6.954 176 HG2 GLU 25 2HG GLU 25 -5.860 8.598 4.571 177 HG3 GLU 25 3HG GLU 25 -7.415 7.842 4.192 178 H LEU 26 H LEU 26 -5.231 6.471 3.548 179 HA LEU 26 HA LEU 26 -7.429 5.384 2.107 180 HB2 LEU 26 2HB LEU 26 -4.578 5.989 1.259 181 HB3 LEU 26 3HB LEU 26 -5.808 5.449 0.126 182 HG LEU 26 HG LEU 26 -6.025 8.011 1.766 183 HD11 LEU 26 1HD1 LEU 26 -5.178 7.704 -1.131 184 HD12 LEU 26 2HD1 LEU 26 -4.143 8.184 0.218 185 HD13 LEU 26 3HD1 LEU 26 -5.471 9.228 -0.283 186 HD21 LEU 26 3HD2 LEU 26 -8.201 7.107 1.101 187 HD22 LEU 26 1HD2 LEU 26 -7.679 7.026 -0.585 188 HD23 LEU 26 2HD2 LEU 26 -7.843 8.590 0.221 189 H LEU 27 H LEU 27 -4.503 3.929 3.391 190 HA LEU 27 HA LEU 27 -4.831 1.358 2.147 191 HB2 LEU 27 2HB LEU 27 -3.364 2.127 4.701 192 HB3 LEU 27 3HB LEU 27 -3.224 0.574 3.885 193 HG LEU 27 HG LEU 27 -2.364 3.235 2.685 194 HD11 LEU 27 1HD1 LEU 27 -0.072 2.522 3.096 195 HD12 LEU 27 2HD1 LEU 27 -0.656 1.077 3.928 196 HD13 LEU 27 3HD1 LEU 27 -0.978 2.678 4.601 197 HD21 LEU 27 3HD2 LEU 27 -2.984 1.602 0.969 198 HD22 LEU 27 1HD2 LEU 27 -1.897 0.409 1.687 199 HD23 LEU 27 2HD2 LEU 27 -1.245 1.885 0.970 200 H ASP 28 H ASP 28 -5.577 2.723 5.362 201 HA ASP 28 HA ASP 28 -6.491 0.258 6.478 202 HB2 ASP 28 2HB ASP 28 -5.430 2.205 7.751 203 HB3 ASP 28 3HB ASP 28 -6.962 3.062 7.600 204 H THR 29 H THR 29 -8.091 2.754 4.696 205 HA THR 29 HA THR 29 -10.783 1.933 5.464 206 HB THR 29 HB THR 29 -11.508 3.750 3.855 207 HG1 THR 29 HG1 THR 29 -9.206 5.060 3.606 208 HG21 THR 29 3HG2 THR 29 -11.201 4.290 6.249 209 HG22 THR 29 1HG2 THR 29 -10.775 5.660 5.219 210 HG23 THR 29 2HG2 THR 29 -9.504 4.669 5.940 211 H ARG 30 H ARG 30 -8.559 1.676 2.686 212 HA ARG 30 HA ARG 30 -10.658 0.293 1.097 213 HB2 ARG 30 2HB ARG 30 -8.136 1.645 0.056 214 HB3 ARG 30 3HB ARG 30 -9.450 0.973 -0.911 215 HG2 ARG 30 2HG ARG 30 -10.974 2.702 0.153 216 HG3 ARG 30 3HG ARG 30 -9.533 3.440 0.859 217 HD2 ARG 30 2HD ARG 30 -10.140 4.625 -1.171 218 HD3 ARG 30 3HD ARG 30 -8.624 3.760 -1.446 219 HE ARG 30 HE ARG 30 -10.644 2.067 -2.272 220 HH11 ARG 30 1HH1 ARG 30 -9.500 5.233 -3.245 221 HH12 ARG 30 2HH1 ARG 30 -10.017 5.044 -4.885 222 HH21 ARG 30 1HH2 ARG 30 -11.326 1.837 -4.419 223 HH22 ARG 30 2HH2 ARG 30 -11.053 3.119 -5.552 224 H ILE 31 H ILE 31 -7.091 0.181 1.645 225 HA ILE 31 HA ILE 31 -6.846 -2.137 -0.068 226 HB ILE 31 HB ILE 31 -4.735 -0.720 1.604 227 HG12 ILE 31 2HG1 ILE 31 -5.663 0.761 -0.127 228 HG13 ILE 31 3HG1 ILE 31 -4.011 0.323 -0.533 229 HG21 ILE 31 1HG2 ILE 31 -4.042 -3.027 1.134 230 HG22 ILE 31 2HG2 ILE 31 -3.054 -1.894 0.213 231 HG23 ILE 31 3HG2 ILE 31 -4.347 -2.792 -0.588 232 HD11 ILE 31 3HD1 ILE 31 -4.854 -1.291 -2.187 233 HD12 ILE 31 1HD1 ILE 31 -5.419 0.352 -2.491 234 HD13 ILE 31 2HD1 ILE 31 -6.512 -0.831 -1.776 235 H ARG 32 H ARG 32 -5.909 -1.528 3.377 236 HA ARG 32 HA ARG 32 -5.182 -4.055 4.120 237 HB2 ARG 32 2HB ARG 32 -6.602 -2.068 5.933 238 HB3 ARG 32 3HB ARG 32 -5.725 -3.492 6.488 239 HG2 ARG 32 2HG ARG 32 -3.650 -2.500 5.456 240 HG3 ARG 32 3HG ARG 32 -4.572 -1.027 5.145 241 HD2 ARG 32 2HD ARG 32 -3.309 -0.737 7.189 242 HD3 ARG 32 3HD ARG 32 -5.021 -0.869 7.613 243 HE ARG 32 HE ARG 32 -3.564 -3.373 7.700 244 HH11 ARG 32 1HH1 ARG 32 -4.506 -0.570 9.631 245 HH12 ARG 32 2HH1 ARG 32 -4.292 -1.401 11.134 246 HH21 ARG 32 1HH2 ARG 32 -3.333 -4.433 9.662 247 HH22 ARG 32 2HH2 ARG 32 -3.625 -3.601 11.151 248 HA PRO 33 HA PRO 33 -9.988 -5.077 5.410 249 HB2 PRO 33 2HB PRO 33 -11.123 -3.437 3.115 250 HB3 PRO 33 3HB PRO 33 -11.875 -3.882 4.668 251 HG2 PRO 33 2HG PRO 33 -10.921 -1.443 4.370 252 HG3 PRO 33 3HG PRO 33 -10.612 -2.323 5.888 253 HD2 PRO 33 2HD PRO 33 -8.741 -1.825 3.586 254 HD3 PRO 33 3HD PRO 33 -8.413 -1.822 5.330 255 H THR 34 H THR 34 -9.189 -4.395 1.977 256 HA THR 34 HA THR 34 -10.431 -6.668 0.838 257 HB THR 34 HB THR 34 -8.095 -5.041 -0.290 258 HG1 THR 34 HG1 THR 34 -10.675 -4.360 0.190 259 HG21 THR 34 3HG2 THR 34 -8.544 -7.141 -1.557 260 HG22 THR 34 1HG2 THR 34 -8.942 -5.703 -2.502 261 HG23 THR 34 2HG2 THR 34 -10.229 -6.651 -1.754 262 H VAL 35 H VAL 35 -7.079 -6.022 1.791 263 HA VAL 35 HA VAL 35 -5.950 -8.469 0.865 264 HB VAL 35 HB VAL 35 -4.814 -6.507 2.924 265 HG11 VAL 35 1HG1 VAL 35 -2.602 -7.357 2.261 266 HG12 VAL 35 2HG1 VAL 35 -3.356 -8.490 1.139 267 HG13 VAL 35 3HG1 VAL 35 -3.605 -8.673 2.875 268 HG21 VAL 35 3HG2 VAL 35 -5.418 -5.369 0.809 269 HG22 VAL 35 1HG2 VAL 35 -4.443 -6.525 -0.097 270 HG23 VAL 35 2HG2 VAL 35 -3.669 -5.411 1.035 271 H GLN 36 H GLN 36 -7.290 -7.398 3.947 272 HA GLN 36 HA GLN 36 -6.538 -9.576 5.598 273 HB2 GLN 36 2HB GLN 36 -8.812 -7.563 5.778 274 HB3 GLN 36 3HB GLN 36 -8.592 -8.815 6.998 275 HG2 GLN 36 2HG GLN 36 -6.446 -7.919 7.643 276 HG3 GLN 36 3HG GLN 36 -6.441 -6.801 6.280 277 HE21 GLN 36 1HE2 GLN 36 -6.175 -5.005 7.665 278 HE22 GLN 36 2HE2 GLN 36 -7.468 -4.410 8.645 279 H GLU 37 H GLU 37 -9.379 -8.974 3.554 280 HA GLU 37 HA GLU 37 -10.773 -11.382 4.153 281 HB2 GLU 37 2HB GLU 37 -10.950 -9.530 1.737 282 HB3 GLU 37 3HB GLU 37 -12.070 -10.857 2.054 283 HG2 GLU 37 2HG GLU 37 -12.781 -9.775 4.152 284 HG3 GLU 37 3HG GLU 37 -11.651 -8.453 3.866 285 H ASP 38 H ASP 38 -8.296 -10.544 1.767 286 HA ASP 38 HA ASP 38 -8.336 -13.023 0.323 287 HB2 ASP 38 2HB ASP 38 -7.362 -10.939 -0.631 288 HB3 ASP 38 3HB ASP 38 -6.115 -10.942 0.612 289 H GLY 39 H GLY 39 -6.901 -11.955 3.321 290 HA2 GLY 39 2HA GLY 39 -6.759 -13.910 4.897 291 HA3 GLY 39 3HA GLY 39 -5.670 -14.633 3.722 292 H GLY 40 H GLY 40 -4.640 -11.750 3.255 293 HA2 GLY 40 2HA GLY 40 -2.558 -11.882 5.342 294 HA3 GLY 40 3HA GLY 40 -2.447 -11.076 3.786 295 H ASP 41 H ASP 41 -1.813 -9.123 4.523 296 HA ASP 41 HA ASP 41 -3.678 -7.144 5.127 297 HB2 ASP 41 2HB ASP 41 -3.654 -8.091 7.445 298 HB3 ASP 41 3HB ASP 41 -1.912 -7.857 7.524 299 H VAL 42 H VAL 42 -2.557 -4.980 5.316 300 HA VAL 42 HA VAL 42 0.269 -5.051 4.437 301 HB VAL 42 HB VAL 42 -0.060 -3.052 3.014 302 HG11 VAL 42 1HG1 VAL 42 -1.210 -4.126 1.128 303 HG12 VAL 42 2HG1 VAL 42 -1.928 -5.311 2.223 304 HG13 VAL 42 3HG1 VAL 42 -0.181 -5.283 1.981 305 HG21 VAL 42 3HG2 VAL 42 -2.028 -2.036 4.107 306 HG22 VAL 42 1HG2 VAL 42 -3.045 -3.343 3.500 307 HG23 VAL 42 2HG2 VAL 42 -2.276 -2.222 2.370 308 H ILE 43 H ILE 43 1.480 -4.266 5.994 309 HA ILE 43 HA ILE 43 0.392 -2.400 8.004 310 HB ILE 43 HB ILE 43 2.975 -4.046 8.088 311 HG12 ILE 43 2HG1 ILE 43 1.760 -5.233 10.059 312 HG13 ILE 43 3HG1 ILE 43 0.280 -4.504 9.451 313 HG21 ILE 43 1HG2 ILE 43 3.248 -1.959 9.342 314 HG22 ILE 43 2HG2 ILE 43 3.170 -3.327 10.454 315 HG23 ILE 43 3HG2 ILE 43 1.764 -2.280 10.245 316 HD11 ILE 43 3HD1 ILE 43 0.527 -6.821 8.746 317 HD12 ILE 43 1HD1 ILE 43 2.050 -6.433 7.947 318 HD13 ILE 43 2HD1 ILE 43 0.540 -5.737 7.356 319 H TYR 44 H TYR 44 0.848 -0.302 7.690 320 HA TYR 44 HA TYR 44 2.647 0.651 5.708 321 HB2 TYR 44 2HB TYR 44 0.599 1.897 6.355 322 HB3 TYR 44 3HB TYR 44 1.270 2.190 7.958 323 HD1 TYR 44 HD2 TYR 44 1.775 2.922 4.325 324 HD2 TYR 44 HD1 TYR 44 2.762 4.060 8.323 325 HE1 TYR 44 HE2 TYR 44 2.830 4.970 3.484 326 HE2 TYR 44 HE1 TYR 44 3.811 6.097 7.477 327 HH TYR 44 HH TYR 44 4.780 6.961 5.443 328 H LYS 45 H LYS 45 4.769 0.586 5.896 329 HA LYS 45 HA LYS 45 6.125 0.654 8.505 330 HB2 LYS 45 2HB LYS 45 7.030 -0.211 5.730 331 HB3 LYS 45 3HB LYS 45 8.120 -0.136 7.113 332 HG2 LYS 45 2HG LYS 45 5.604 -1.836 6.989 333 HG3 LYS 45 3HG LYS 45 7.241 -2.428 6.669 334 HD2 LYS 45 2HD LYS 45 7.911 -1.812 8.983 335 HD3 LYS 45 3HD LYS 45 6.275 -1.225 9.300 336 HE2 LYS 45 2HE LYS 45 5.368 -3.450 9.071 337 HE3 LYS 45 3HE LYS 45 6.925 -4.084 8.528 338 HZ1 LYS 45 3HZ LYS 45 6.217 -3.100 11.233 339 HZ2 LYS 45 1HZ LYS 45 7.811 -3.381 10.743 340 HZ3 LYS 45 2HZ LYS 45 6.709 -4.655 10.779 341 H GLY 46 H GLY 46 5.929 2.448 5.434 342 HA2 GLY 46 2HA GLY 46 6.595 4.909 6.537 343 HA3 GLY 46 3HA GLY 46 8.129 4.209 6.032 344 H PHE 47 H PHE 47 8.045 6.259 4.782 345 HA PHE 47 HA PHE 47 7.271 5.722 2.020 346 HB2 PHE 47 2HB PHE 47 5.255 6.809 3.041 347 HB3 PHE 47 3HB PHE 47 6.239 8.176 3.541 348 HD1 PHE 47 HD2 PHE 47 5.492 6.260 0.394 349 HD2 PHE 47 HD1 PHE 47 6.028 10.087 2.205 350 HE1 PHE 47 HE2 PHE 47 4.919 7.347 -1.730 351 HE2 PHE 47 HE1 PHE 47 5.451 11.163 0.077 352 HZ PHE 47 HZ PHE 47 4.898 9.798 -1.890 353 H GLU 48 H GLU 48 9.212 6.032 1.097 354 HA GLU 48 HA GLU 48 10.962 8.301 1.874 355 HB2 GLU 48 2HB GLU 48 11.966 5.435 1.453 356 HB3 GLU 48 3HB GLU 48 12.931 6.833 1.907 357 HG2 GLU 48 2HG GLU 48 10.841 5.457 3.624 358 HG3 GLU 48 3HG GLU 48 12.588 5.300 3.799 359 H ASP 49 H ASP 49 11.543 9.382 0.060 360 HA ASP 49 HA ASP 49 12.133 9.958 -2.045 361 HB2 ASP 49 2HB ASP 49 13.798 8.077 -1.736 362 HB3 ASP 49 3HB ASP 49 12.658 6.989 -2.519 363 H GLY 50 H GLY 50 9.385 9.250 -1.344 364 HA2 GLY 50 2HA GLY 50 7.346 9.327 -2.426 365 HA3 GLY 50 3HA GLY 50 8.166 9.209 -3.971 366 H ILE 51 H ILE 51 9.088 6.792 -1.763 367 HA ILE 51 HA ILE 51 7.480 4.775 -3.216 368 HB ILE 51 HB ILE 51 10.117 4.355 -1.723 369 HG12 ILE 51 2HG1 ILE 51 10.520 5.867 -3.642 370 HG13 ILE 51 3HG1 ILE 51 11.237 4.292 -3.946 371 HG21 ILE 51 1HG2 ILE 51 8.782 2.315 -1.929 372 HG22 ILE 51 2HG2 ILE 51 10.213 2.217 -2.957 373 HG23 ILE 51 3HG2 ILE 51 8.634 2.559 -3.674 374 HD11 ILE 51 3HD1 ILE 51 8.665 5.342 -5.128 375 HD12 ILE 51 1HD1 ILE 51 9.349 3.739 -5.428 376 HD13 ILE 51 2HD1 ILE 51 10.221 5.183 -5.938 377 H VAL 52 H VAL 52 5.886 3.889 -2.057 378 HA VAL 52 HA VAL 52 5.598 4.340 0.789 379 HB VAL 52 HB VAL 52 3.736 2.681 -0.982 380 HG11 VAL 52 1HG1 VAL 52 2.004 3.288 0.666 381 HG12 VAL 52 2HG1 VAL 52 3.196 4.204 1.593 382 HG13 VAL 52 3HG1 VAL 52 3.355 2.452 1.440 383 HG21 VAL 52 3HG2 VAL 52 2.401 4.693 -1.408 384 HG22 VAL 52 1HG2 VAL 52 4.036 4.891 -2.046 385 HG23 VAL 52 2HG2 VAL 52 3.573 5.682 -0.537 386 H GLN 53 H GLN 53 6.715 2.999 2.134 387 HA GLN 53 HA GLN 53 7.380 0.262 1.382 388 HB2 GLN 53 2HB GLN 53 8.047 1.950 3.825 389 HB3 GLN 53 3HB GLN 53 8.543 0.264 3.654 390 HG2 GLN 53 2HG GLN 53 9.807 0.853 1.606 391 HG3 GLN 53 3HG GLN 53 9.317 2.536 1.799 392 HE21 GLN 53 1HE2 GLN 53 11.479 3.174 1.891 393 HE22 GLN 53 2HE2 GLN 53 12.448 2.931 3.304 394 H LEU 54 H LEU 54 5.967 -1.278 1.683 395 HA LEU 54 HA LEU 54 4.097 -1.254 3.981 396 HB2 LEU 54 2HB LEU 54 3.504 -2.126 1.116 397 HB3 LEU 54 3HB LEU 54 2.412 -2.355 2.478 398 HG LEU 54 HG LEU 54 3.271 0.321 1.301 399 HD11 LEU 54 1HD1 LEU 54 1.675 -0.859 -0.108 400 HD12 LEU 54 2HD1 LEU 54 0.931 0.549 0.643 401 HD13 LEU 54 3HD1 LEU 54 0.580 -1.069 1.263 402 HD21 LEU 54 3HD2 LEU 54 1.428 -0.250 3.643 403 HD22 LEU 54 1HD2 LEU 54 1.662 1.325 2.876 404 HD23 LEU 54 2HD2 LEU 54 3.005 0.545 3.705 405 H LYS 55 H LYS 55 3.843 -3.147 4.998 406 HA LYS 55 HA LYS 55 5.576 -5.399 4.291 407 HB2 LYS 55 2HB LYS 55 5.588 -4.536 6.642 408 HB3 LYS 55 3HB LYS 55 3.873 -4.925 6.774 409 HG2 LYS 55 2HG LYS 55 4.591 -7.367 6.190 410 HG3 LYS 55 3HG LYS 55 6.228 -6.818 6.572 411 HD2 LYS 55 2HD LYS 55 5.435 -6.150 8.844 412 HD3 LYS 55 3HD LYS 55 3.829 -6.774 8.444 413 HE2 LYS 55 2HE LYS 55 6.404 -8.373 8.627 414 HE3 LYS 55 3HE LYS 55 5.039 -8.432 9.745 415 HZ1 LYS 55 3HZ LYS 55 4.982 -9.276 6.892 416 HZ2 LYS 55 1HZ LYS 55 3.668 -9.319 7.952 417 HZ3 LYS 55 2HZ LYS 55 5.011 -10.299 8.231 418 H LEU 56 H LEU 56 4.658 -6.878 2.957 419 HA LEU 56 HA LEU 56 1.744 -7.252 2.925 420 HB2 LEU 56 2HB LEU 56 3.800 -8.691 1.199 421 HB3 LEU 56 3HB LEU 56 2.061 -8.657 0.965 422 HG LEU 56 HG LEU 56 4.078 -6.459 0.417 423 HD11 LEU 56 1HD1 LEU 56 3.128 -6.495 -1.836 424 HD12 LEU 56 2HD1 LEU 56 2.006 -7.772 -1.358 425 HD13 LEU 56 3HD1 LEU 56 3.745 -8.078 -1.366 426 HD21 LEU 56 3HD2 LEU 56 2.237 -4.931 -0.146 427 HD22 LEU 56 1HD2 LEU 56 2.286 -5.329 1.569 428 HD23 LEU 56 2HD2 LEU 56 1.079 -6.084 0.526 429 H GLN 57 H GLN 57 0.763 -8.964 3.823 430 HA GLN 57 HA GLN 57 2.301 -11.006 5.302 431 HB2 GLN 57 2HB GLN 57 -0.652 -10.263 5.251 432 HB3 GLN 57 3HB GLN 57 -0.030 -11.624 6.165 433 HG2 GLN 57 2HG GLN 57 0.873 -8.772 6.636 434 HG3 GLN 57 3HG GLN 57 -0.505 -9.497 7.463 435 HE21 GLN 57 1HE2 GLN 57 1.785 -8.477 8.773 436 HE22 GLN 57 2HE2 GLN 57 2.534 -9.802 9.602 437 H GLY 58 H GLY 58 1.057 -13.254 5.249 438 HA2 GLY 58 2HA GLY 58 1.466 -14.569 2.842 439 HA3 GLY 58 3HA GLY 58 0.483 -15.177 4.161 440 H SER 59 H SER 59 -0.188 -15.953 1.730 441 HA SER 59 HA SER 59 -1.822 -16.225 0.225 442 HB2 SER 59 2HB SER 59 -3.312 -13.946 1.587 443 HB3 SER 59 3HB SER 59 -3.987 -15.006 0.345 444 HG SER 59 HG SER 59 -4.580 -16.024 2.128 445 H CYS 60 H CYS 60 -1.285 -12.723 0.738 446 HA CYS 60 HA CYS 60 -1.428 -12.026 -2.045 447 HB2 CYS 60 2HB CYS 60 -0.345 -10.471 0.337 448 HB3 CYS 60 3HB CYS 60 -0.698 -9.799 -1.259 449 HG CYS 60 HG CYS 60 -3.194 -11.394 0.374 450 H THR 61 H THR 61 1.165 -12.895 0.184 451 HA THR 61 HA THR 61 3.334 -12.165 -1.572 452 HB THR 61 HB THR 61 4.739 -13.448 0.124 453 HG1 THR 61 HG1 THR 61 3.422 -14.892 1.063 454 HG21 THR 61 3HG2 THR 61 4.433 -11.808 1.954 455 HG22 THR 61 1HG2 THR 61 2.901 -11.297 1.235 456 HG23 THR 61 2HG2 THR 61 4.418 -11.021 0.375 457 H SER 62 H SER 62 1.174 -14.769 -1.499 458 HA SER 62 HA SER 62 2.796 -16.909 -2.411 459 HB2 SER 62 2HB SER 62 -0.180 -16.448 -2.918 460 HB3 SER 62 3HB SER 62 0.680 -17.985 -3.051 461 HG SER 62 HG SER 62 -0.486 -17.631 -1.049 462 H CYS 63 H CYS 63 4.026 -16.708 -4.183 463 HA CYS 63 HA CYS 63 4.672 -16.621 -6.335 464 HB2 CYS 63 2HB CYS 63 1.749 -16.122 -7.007 465 HB3 CYS 63 3HB CYS 63 3.005 -16.428 -8.205 466 HG CYS 63 HG CYS 63 2.578 -18.700 -5.744 467 HA PRO 64 HA PRO 64 5.853 -12.329 -6.664 468 HB2 PRO 64 2HB PRO 64 6.711 -12.270 -9.350 469 HB3 PRO 64 3HB PRO 64 7.681 -12.846 -7.978 470 HG2 PRO 64 2HG PRO 64 6.065 -14.444 -9.935 471 HG3 PRO 64 3HG PRO 64 7.678 -14.777 -9.262 472 HD2 PRO 64 2HD PRO 64 5.516 -16.060 -8.315 473 HD3 PRO 64 3HD PRO 64 6.815 -15.546 -7.212 474 H SER 65 H SER 65 3.688 -13.621 -9.189 475 HA SER 65 HA SER 65 2.951 -11.190 -10.400 476 HB2 SER 65 2HB SER 65 1.381 -13.789 -10.191 477 HB3 SER 65 3HB SER 65 1.006 -12.469 -11.305 478 HG SER 65 HG SER 65 2.543 -13.136 -12.573 479 H SER 66 H SER 66 1.549 -12.871 -7.566 480 HA SER 66 HA SER 66 -0.742 -11.198 -7.280 481 HB2 SER 66 2HB SER 66 0.670 -12.883 -5.164 482 HB3 SER 66 3HB SER 66 -0.977 -12.244 -5.055 483 HG SER 66 HG SER 66 -0.370 -14.540 -5.959 484 H ILE 67 H ILE 67 2.500 -11.166 -5.834 485 HA ILE 67 HA ILE 67 2.359 -8.936 -4.163 486 HB ILE 67 HB ILE 67 4.690 -9.956 -5.851 487 HG12 ILE 67 2HG1 ILE 67 4.069 -10.479 -2.905 488 HG13 ILE 67 3HG1 ILE 67 3.727 -11.606 -4.213 489 HG21 ILE 67 1HG2 ILE 67 6.200 -8.754 -4.294 490 HG22 ILE 67 2HG2 ILE 67 4.799 -8.024 -3.508 491 HG23 ILE 67 3HG2 ILE 67 5.161 -7.646 -5.194 492 HD11 ILE 67 3HD1 ILE 67 6.129 -11.780 -4.683 493 HD12 ILE 67 1HD1 ILE 67 5.734 -12.236 -3.026 494 HD13 ILE 67 2HD1 ILE 67 6.466 -10.666 -3.354 495 H ILE 68 H ILE 68 3.155 -9.149 -7.624 496 HA ILE 68 HA ILE 68 3.775 -6.431 -8.091 497 HB ILE 68 HB ILE 68 2.867 -8.612 -10.028 498 HG12 ILE 68 2HG1 ILE 68 5.689 -7.551 -9.545 499 HG13 ILE 68 3HG1 ILE 68 5.046 -8.981 -8.752 500 HG21 ILE 68 1HG2 ILE 68 4.103 -5.918 -10.705 501 HG22 ILE 68 2HG2 ILE 68 2.451 -6.424 -11.065 502 HG23 ILE 68 3HG2 ILE 68 3.808 -7.227 -11.856 503 HD11 ILE 68 3HD1 ILE 68 6.456 -9.571 -10.631 504 HD12 ILE 68 1HD1 ILE 68 5.428 -8.646 -11.727 505 HD13 ILE 68 2HD1 ILE 68 4.792 -10.080 -10.915 506 H THR 69 H THR 69 0.733 -8.280 -8.480 507 HA THR 69 HA THR 69 -0.826 -6.237 -9.650 508 HB THR 69 HB THR 69 -1.852 -8.547 -7.935 509 HG1 THR 69 HG1 THR 69 -1.093 -9.747 -9.486 510 HG21 THR 69 3HG2 THR 69 -3.580 -6.842 -8.460 511 HG22 THR 69 1HG2 THR 69 -3.893 -8.361 -9.312 512 HG23 THR 69 2HG2 THR 69 -3.196 -6.992 -10.175 513 H LEU 70 H LEU 70 -0.453 -7.292 -6.247 514 HA LEU 70 HA LEU 70 -2.340 -5.537 -5.100 515 HB2 LEU 70 2HB LEU 70 -1.481 -7.546 -3.948 516 HB3 LEU 70 3HB LEU 70 0.126 -6.845 -3.875 517 HG LEU 70 HG LEU 70 -0.676 -5.097 -2.310 518 HD11 LEU 70 1HD1 LEU 70 -3.377 -6.455 -2.478 519 HD12 LEU 70 2HD1 LEU 70 -2.966 -4.845 -3.076 520 HD13 LEU 70 3HD1 LEU 70 -2.927 -5.173 -1.348 521 HD21 LEU 70 3HD2 LEU 70 0.189 -7.172 -1.358 522 HD22 LEU 70 1HD2 LEU 70 -1.424 -7.890 -1.399 523 HD23 LEU 70 2HD2 LEU 70 -1.093 -6.510 -0.349 524 H LYS 71 H LYS 71 1.210 -5.311 -5.335 525 HA LYS 71 HA LYS 71 1.680 -2.820 -4.222 526 HB2 LYS 71 2HB LYS 71 3.451 -4.407 -4.656 527 HB3 LYS 71 3HB LYS 71 3.155 -4.374 -6.383 528 HG2 LYS 71 2HG LYS 71 3.993 -1.803 -5.071 529 HG3 LYS 71 3HG LYS 71 5.210 -3.066 -5.224 530 HD2 LYS 71 2HD LYS 71 3.623 -1.845 -7.529 531 HD3 LYS 71 3HD LYS 71 5.294 -1.458 -7.113 532 HE2 LYS 71 2HE LYS 71 5.982 -3.761 -7.617 533 HE3 LYS 71 3HE LYS 71 4.306 -4.208 -7.963 534 HZ1 LYS 71 3HZ LYS 71 4.332 -2.596 -9.795 535 HZ2 LYS 71 1HZ LYS 71 5.502 -3.797 -9.992 536 HZ3 LYS 71 2HZ LYS 71 5.952 -2.255 -9.478 537 H ASN 72 H ASN 72 0.823 -3.609 -7.594 538 HA ASN 72 HA ASN 72 1.080 -0.941 -8.626 539 HB2 ASN 72 2HB ASN 72 -0.225 -3.460 -9.729 540 HB3 ASN 72 3HB ASN 72 -0.308 -1.934 -10.600 541 HD21 ASN 72 1HD2 ASN 72 0.920 -4.393 -11.453 542 HD22 ASN 72 2HD2 ASN 72 2.587 -4.040 -11.750 543 H GLY 73 H GLY 73 -1.638 -2.840 -7.368 544 HA2 GLY 73 2HA GLY 73 -3.759 -1.121 -8.095 545 HA3 GLY 73 3HA GLY 73 -3.779 -2.293 -6.788 546 H ILE 74 H ILE 74 -1.984 -1.462 -5.051 547 HA ILE 74 HA ILE 74 -3.057 0.639 -3.558 548 HB ILE 74 HB ILE 74 -0.209 -0.488 -3.494 549 HG12 ILE 74 2HG1 ILE 74 -2.598 -1.297 -1.774 550 HG13 ILE 74 3HG1 ILE 74 -2.035 -2.205 -3.169 551 HG21 ILE 74 1HG2 ILE 74 -1.694 1.083 -1.359 552 HG22 ILE 74 2HG2 ILE 74 -0.327 1.661 -2.314 553 HG23 ILE 74 3HG2 ILE 74 -0.103 0.342 -1.170 554 HD11 ILE 74 3HD1 ILE 74 0.127 -2.568 -2.027 555 HD12 ILE 74 1HD1 ILE 74 -1.252 -3.238 -1.155 556 HD13 ILE 74 2HD1 ILE 74 -0.516 -1.735 -0.607 557 H GLN 75 H GLN 75 -0.209 0.514 -5.679 558 HA GLN 75 HA GLN 75 0.879 3.043 -5.319 559 HB2 GLN 75 2HB GLN 75 2.003 1.168 -6.484 560 HB3 GLN 75 3HB GLN 75 0.874 1.310 -7.828 561 HG2 GLN 75 2HG GLN 75 1.772 3.586 -8.296 562 HG3 GLN 75 3HG GLN 75 2.936 3.375 -6.986 563 HE21 GLN 75 1HE2 GLN 75 4.578 1.782 -7.236 564 HE22 GLN 75 2HE2 GLN 75 5.063 1.237 -8.799 565 H ASN 76 H ASN 76 -1.253 1.983 -7.993 566 HA ASN 76 HA ASN 76 -1.408 4.514 -9.253 567 HB2 ASN 76 2HB ASN 76 -3.096 1.998 -9.534 568 HB3 ASN 76 3HB ASN 76 -3.357 3.429 -10.528 569 HD21 ASN 76 1HD2 ASN 76 -0.133 2.258 -9.551 570 HD22 ASN 76 2HD2 ASN 76 0.339 1.798 -11.138 571 H MET 77 H MET 77 -3.454 2.906 -6.854 572 HA MET 77 HA MET 77 -5.651 4.683 -6.854 573 HB2 MET 77 2HB MET 77 -5.562 2.434 -5.677 574 HB3 MET 77 3HB MET 77 -4.524 3.163 -4.463 575 HG2 MET 77 2HG MET 77 -6.457 4.833 -4.067 576 HG3 MET 77 3HG MET 77 -7.446 3.705 -4.993 577 HE1 MET 77 3HE MET 77 -5.494 2.841 -0.903 578 HE2 MET 77 1HE MET 77 -5.486 4.407 -1.715 579 HE3 MET 77 2HE MET 77 -4.511 3.075 -2.349 580 H LEU 78 H LEU 78 -2.752 4.575 -4.737 581 HA LEU 78 HA LEU 78 -3.242 6.914 -3.263 582 HB2 LEU 78 2HB LEU 78 -0.624 5.492 -3.890 583 HB3 LEU 78 3HB LEU 78 -0.757 6.809 -2.734 584 HG LEU 78 HG LEU 78 -2.143 4.105 -2.474 585 HD11 LEU 78 1HD1 LEU 78 -0.561 3.663 -0.660 586 HD12 LEU 78 2HD1 LEU 78 0.253 5.199 -0.972 587 HD13 LEU 78 3HD1 LEU 78 0.282 3.919 -2.188 588 HD21 LEU 78 3HD2 LEU 78 -2.040 6.434 -0.524 589 HD22 LEU 78 1HD2 LEU 78 -2.718 4.835 -0.193 590 HD23 LEU 78 2HD2 LEU 78 -3.459 5.867 -1.411 591 H GLN 79 H GLN 79 -1.596 6.424 -6.358 592 HA GLN 79 HA GLN 79 -0.350 8.957 -6.623 593 HB2 GLN 79 2HB GLN 79 -1.194 6.897 -8.697 594 HB3 GLN 79 3HB GLN 79 -0.334 8.376 -9.129 595 HG2 GLN 79 2HG GLN 79 1.564 7.720 -7.755 596 HG3 GLN 79 3HG GLN 79 0.719 6.275 -7.212 597 HE21 GLN 79 1HE2 GLN 79 3.277 6.557 -8.606 598 HE22 GLN 79 2HE2 GLN 79 3.138 5.587 -10.032 599 H PHE 80 H PHE 80 -3.625 7.898 -7.275 600 HA PHE 80 HA PHE 80 -4.500 10.061 -8.897 601 HB2 PHE 80 2HB PHE 80 -5.735 7.936 -8.771 602 HB3 PHE 80 3HB PHE 80 -6.043 8.185 -7.059 603 HD1 PHE 80 HD1 PHE 80 -6.702 9.797 -10.402 604 HD2 PHE 80 HD2 PHE 80 -8.110 9.134 -6.414 605 HE1 PHE 80 HE1 PHE 80 -8.835 10.890 -10.960 606 HE2 PHE 80 HE2 PHE 80 -10.233 10.232 -6.980 607 HZ PHE 80 HZ PHE 80 -10.601 11.108 -9.254 608 H TYR 81 H TYR 81 -4.282 9.582 -5.403 609 HA TYR 81 HA TYR 81 -5.639 12.127 -4.807 610 HB2 TYR 81 2HB TYR 81 -4.525 10.027 -2.887 611 HB3 TYR 81 3HB TYR 81 -5.601 11.361 -2.478 612 HD1 TYR 81 HD1 TYR 81 -7.969 11.370 -3.570 613 HD2 TYR 81 HD2 TYR 81 -5.441 7.927 -3.511 614 HE1 TYR 81 HE1 TYR 81 -9.915 9.930 -3.994 615 HE2 TYR 81 HE2 TYR 81 -7.380 6.486 -3.938 616 HH TYR 81 HH TYR 81 -10.329 7.663 -5.010 617 H ILE 82 H ILE 82 -2.437 10.772 -5.008 618 HA ILE 82 HA ILE 82 -1.192 13.027 -3.534 619 HB ILE 82 HB ILE 82 -0.304 10.116 -3.271 620 HG12 ILE 82 2HG1 ILE 82 -1.780 11.717 -1.129 621 HG13 ILE 82 3HG1 ILE 82 -2.578 10.571 -2.199 622 HG21 ILE 82 1HG2 ILE 82 1.126 10.956 -1.435 623 HG22 ILE 82 2HG2 ILE 82 0.542 12.597 -1.728 624 HG23 ILE 82 3HG2 ILE 82 1.496 11.767 -2.960 625 HD11 ILE 82 3HD1 ILE 82 -2.143 9.572 -0.063 626 HD12 ILE 82 1HD1 ILE 82 -0.420 9.922 -0.205 627 HD13 ILE 82 2HD1 ILE 82 -1.185 8.775 -1.310 628 HA PRO 83 HA PRO 83 1.238 12.834 -7.460 629 HB2 PRO 83 2HB PRO 83 2.526 15.299 -6.359 630 HB3 PRO 83 3HB PRO 83 1.637 15.078 -7.881 631 HG2 PRO 83 2HG PRO 83 0.561 16.482 -5.868 632 HG3 PRO 83 3HG PRO 83 -0.442 15.434 -6.899 633 HD2 PRO 83 2HD PRO 83 0.662 14.857 -4.141 634 HD3 PRO 83 3HD PRO 83 -0.988 14.606 -4.772 635 H GLU 84 H GLU 84 2.373 13.021 -4.162 636 HA GLU 84 HA GLU 84 5.165 12.909 -4.522 637 HB2 GLU 84 2HB GLU 84 3.519 11.864 -2.179 638 HB3 GLU 84 3HB GLU 84 5.254 12.165 -2.150 639 HG2 GLU 84 2HG GLU 84 3.070 14.245 -2.482 640 HG3 GLU 84 3HG GLU 84 4.028 13.955 -1.031 641 H VAL 85 H VAL 85 2.731 10.340 -4.294 642 HA VAL 85 HA VAL 85 4.484 8.154 -3.927 643 HB VAL 85 HB VAL 85 1.653 8.154 -5.069 644 HG11 VAL 85 1HG1 VAL 85 2.803 6.048 -5.650 645 HG12 VAL 85 2HG1 VAL 85 1.568 5.752 -4.424 646 HG13 VAL 85 3HG1 VAL 85 3.273 5.817 -3.962 647 HG21 VAL 85 3HG2 VAL 85 0.954 7.552 -2.769 648 HG22 VAL 85 1HG2 VAL 85 1.763 9.121 -2.807 649 HG23 VAL 85 2HG2 VAL 85 2.627 7.697 -2.221 650 H GLU 86 H GLU 86 6.135 8.161 -5.363 651 HA GLU 86 HA GLU 86 5.798 7.941 -8.218 652 HB2 GLU 86 2HB GLU 86 8.145 7.610 -6.314 653 HB3 GLU 86 3HB GLU 86 8.300 7.214 -8.022 654 HG2 GLU 86 2HG GLU 86 7.535 9.937 -6.918 655 HG3 GLU 86 3HG GLU 86 9.134 9.479 -7.502 656 H GLY 87 H GLY 87 6.204 5.743 -5.477 657 HA2 GLY 87 2HA GLY 87 5.335 3.452 -7.024 658 HA3 GLY 87 3HA GLY 87 7.041 3.408 -6.580 659 H VAL 88 H VAL 88 5.858 1.394 -5.664 660 HA VAL 88 HA VAL 88 5.553 1.816 -2.755 661 HB VAL 88 HB VAL 88 3.783 -0.031 -4.457 662 HG11 VAL 88 1HG1 VAL 88 4.409 -1.209 -2.384 663 HG12 VAL 88 2HG1 VAL 88 2.701 -0.766 -2.349 664 HG13 VAL 88 3HG1 VAL 88 3.876 0.173 -1.423 665 HG21 VAL 88 3HG2 VAL 88 3.009 2.306 -2.677 666 HG22 VAL 88 1HG2 VAL 88 1.880 1.268 -3.557 667 HG23 VAL 88 2HG2 VAL 88 3.003 2.307 -4.441 668 H GLU 89 H GLU 89 6.863 0.456 -1.625 669 HA GLU 89 HA GLU 89 8.312 -1.735 -3.013 670 HB2 GLU 89 2HB GLU 89 9.787 0.132 -2.364 671 HB3 GLU 89 3HB GLU 89 9.177 0.095 -0.715 672 HG2 GLU 89 2HG GLU 89 10.216 -2.114 -0.369 673 HG3 GLU 89 3HG GLU 89 10.786 -2.120 -2.039 674 H GLN 90 H GLN 90 8.114 -3.761 -2.112 675 HA GLN 90 HA GLN 90 6.595 -4.122 0.348 676 HB2 GLN 90 2HB GLN 90 6.211 -5.723 -1.509 677 HB3 GLN 90 3HB GLN 90 7.903 -6.212 -1.445 678 HG2 GLN 90 2HG GLN 90 7.513 -6.926 0.956 679 HG3 GLN 90 3HG GLN 90 5.800 -6.623 0.706 680 HE21 GLN 90 1HE2 GLN 90 6.960 -9.078 1.480 681 HE22 GLN 90 2HE2 GLN 90 6.610 -10.230 0.243 682 H VAL 91 H VAL 91 7.475 -4.460 2.261 683 HA VAL 91 HA VAL 91 10.274 -5.352 2.584 684 HB VAL 91 HB VAL 91 10.334 -3.913 4.701 685 HG11 VAL 91 1HG1 VAL 91 11.546 -3.201 2.681 686 HG12 VAL 91 2HG1 VAL 91 10.892 -1.801 3.532 687 HG13 VAL 91 3HG1 VAL 91 10.097 -2.394 2.070 688 HG21 VAL 91 3HG2 VAL 91 7.889 -2.582 3.467 689 HG22 VAL 91 1HG2 VAL 91 8.787 -1.990 4.870 690 HG23 VAL 91 2HG2 VAL 91 7.914 -3.521 4.963 691 H MET 92 H MET 92 10.588 -6.683 4.488 692 HA MET 92 HA MET 92 8.165 -7.690 5.823 693 HB2 MET 92 2HB MET 92 8.708 -10.048 5.302 694 HB3 MET 92 3HB MET 92 8.392 -9.124 3.844 695 HG2 MET 92 2HG MET 92 10.917 -8.934 3.563 696 HG3 MET 92 3HG MET 92 11.061 -10.126 4.851 697 HE1 MET 92 3HE MET 92 9.155 -13.193 3.120 698 HE2 MET 92 1HE MET 92 8.363 -11.940 4.071 699 HE3 MET 92 2HE MET 92 9.895 -12.624 4.616 700 H ASP 93 H ASP 93 8.475 -8.097 7.890 701 HA ASP 93 HA ASP 93 11.008 -7.659 9.197 702 HB2 ASP 93 2HB ASP 93 8.337 -8.628 10.340 703 HB3 ASP 93 3HB ASP 93 9.741 -8.175 11.307 704 H ASP 94 H ASP 94 12.365 -9.125 10.072 705 HA ASP 94 HA ASP 94 13.464 -11.007 10.560 706 HB2 ASP 94 2HB ASP 94 11.611 -11.342 12.158 707 HB3 ASP 94 3HB ASP 94 10.683 -12.190 10.927 708 H GLU 95 H GLU 95 14.295 -11.100 8.465 709 HA GLU 95 HA GLU 95 13.490 -13.517 6.922 710 HB2 GLU 95 2HB GLU 95 14.768 -12.522 5.041 711 HB3 GLU 95 3HB GLU 95 13.442 -11.482 5.552 712 HG2 GLU 95 2HG GLU 95 15.058 -10.079 6.830 713 HG3 GLU 95 3HG GLU 95 16.376 -11.102 6.256 714 H SER 96 H SER 96 15.748 -12.141 9.046 715 HA SER 96 HA SER 96 17.476 -14.464 9.048 716 HB2 SER 96 2HB SER 96 18.548 -13.054 7.298 717 HB3 SER 96 3HB SER 96 18.568 -11.672 8.393 718 HG SER 96 HG SER 96 20.394 -12.403 9.099 719 H ASP 97 H ASP 97 17.033 -14.848 11.193 720 HA ASP 97 HA ASP 97 16.653 -12.754 13.138 721 HB2 ASP 97 2HB ASP 97 15.397 -14.917 13.225 722 HB3 ASP 97 3HB ASP 97 16.901 -15.764 13.572 Start of MODEL 5 1 H1 MET 1 1H MET 1 24.976 4.781 25.017 2 H2 MET 1 2H MET 1 26.617 4.569 25.376 3 H3 MET 1 3H MET 1 25.927 3.763 24.061 4 HA MET 1 HA MET 1 27.292 5.648 23.414 5 HB2 MET 1 2HB MET 1 25.306 4.795 22.075 6 HB3 MET 1 3HB MET 1 24.331 6.054 22.817 7 HG2 MET 1 2HG MET 1 25.012 6.733 20.587 8 HG3 MET 1 3HG MET 1 25.776 7.777 21.784 9 HE1 MET 1 3HE MET 1 28.020 4.417 19.515 10 HE2 MET 1 1HE MET 1 26.318 4.778 19.254 11 HE3 MET 1 2HE MET 1 26.845 4.065 20.782 12 H GLY 2 H GLY 2 24.201 7.295 24.175 13 HA2 GLY 2 2HA GLY 2 23.607 8.669 25.926 14 HA3 GLY 2 3HA GLY 2 25.200 8.473 26.625 15 H HIS 3 H HIS 3 26.956 9.543 24.994 16 HA HIS 3 HA HIS 3 26.641 12.268 25.693 17 HB2 HIS 3 2HB HIS 3 28.840 10.944 24.043 18 HB3 HIS 3 3HB HIS 3 28.936 12.551 24.761 19 HD1 HIS 3 HD1 HIS 3 31.078 10.691 25.545 20 HD2 HIS 3 HD2 HIS 3 27.483 10.813 27.615 21 HE1 HIS 3 HE1 HIS 3 31.570 9.752 27.809 22 HE2 HIS 3 HE2 HIS 3 29.339 9.634 28.948 23 H HIS 4 H HIS 4 25.803 10.629 22.816 24 HA HIS 4 HA HIS 4 25.729 13.048 21.156 25 HB2 HIS 4 2HB HIS 4 26.453 10.853 20.180 26 HB3 HIS 4 3HB HIS 4 24.867 10.179 20.533 27 HD1 HIS 4 HD1 HIS 4 24.335 9.704 18.069 28 HD2 HIS 4 HD2 HIS 4 25.198 13.699 18.796 29 HE1 HIS 4 HE1 HIS 4 23.708 10.923 15.975 30 HE2 HIS 4 HE2 HIS 4 24.050 13.347 16.518 31 H HIS 5 H HIS 5 24.301 13.624 23.266 32 HA HIS 5 HA HIS 5 21.513 12.976 23.186 33 HB2 HIS 5 2HB HIS 5 23.011 15.295 24.488 34 HB3 HIS 5 3HB HIS 5 21.282 15.039 24.687 35 HD1 HIS 5 HD1 HIS 5 24.356 14.357 26.361 36 HD2 HIS 5 HD2 HIS 5 20.795 12.283 25.846 37 HE1 HIS 5 HE1 HIS 5 24.275 12.675 28.220 38 HE2 HIS 5 HE2 HIS 5 22.033 11.565 27.981 39 H HIS 6 H HIS 6 23.513 15.449 21.677 40 HA HIS 6 HA HIS 6 21.461 17.147 20.683 41 HB2 HIS 6 2HB HIS 6 24.314 16.725 19.704 42 HB3 HIS 6 3HB HIS 6 23.246 17.984 19.095 43 HD1 HIS 6 HD1 HIS 6 25.922 17.627 21.373 44 HD2 HIS 6 HD2 HIS 6 22.302 19.652 21.509 45 HE1 HIS 6 HE1 HIS 6 26.218 19.415 23.105 46 HE2 HIS 6 HE2 HIS 6 23.996 20.585 23.210 47 H HIS 7 H HIS 7 19.853 16.146 19.576 48 HA HIS 7 HA HIS 7 20.492 14.664 17.079 49 HB2 HIS 7 2HB HIS 7 18.071 14.325 18.913 50 HB3 HIS 7 3HB HIS 7 18.286 13.512 17.367 51 HD1 HIS 7 HD1 HIS 7 18.402 12.696 20.734 52 HD2 HIS 7 HD2 HIS 7 21.034 12.012 17.587 53 HE1 HIS 7 HE1 HIS 7 19.752 10.688 21.401 54 HE2 HIS 7 HE2 HIS 7 21.488 10.469 19.601 55 H HIS 8 H HIS 8 19.288 15.206 15.260 56 HA HIS 8 HA HIS 8 17.086 17.143 15.437 57 HB2 HIS 8 2HB HIS 8 19.618 17.571 13.793 58 HB3 HIS 8 3HB HIS 8 18.098 18.317 13.320 59 HD1 HIS 8 HD1 HIS 8 17.106 20.115 14.977 60 HD2 HIS 8 HD2 HIS 8 20.978 18.899 15.840 61 HE1 HIS 8 HE1 HIS 8 17.996 21.804 16.593 62 HE2 HIS 8 HE2 HIS 8 20.311 21.012 17.151 63 H SER 9 H SER 9 15.422 16.248 14.382 64 HA SER 9 HA SER 9 15.666 14.349 12.254 65 HB2 SER 9 2HB SER 9 13.286 16.110 13.023 66 HB3 SER 9 3HB SER 9 13.231 14.688 11.975 67 HG SER 9 HG SER 9 12.639 14.331 14.209 68 H HIS 10 H HIS 10 16.692 14.990 10.418 69 HA HIS 10 HA HIS 10 16.349 17.740 9.390 70 HB2 HIS 10 2HB HIS 10 18.378 17.520 10.938 71 HB3 HIS 10 3HB HIS 10 19.077 16.412 9.765 72 HD1 HIS 10 HD1 HIS 10 20.881 17.655 8.567 73 HD2 HIS 10 HD2 HIS 10 17.555 20.060 9.233 74 HE1 HIS 10 HE1 HIS 10 21.419 19.867 7.511 75 HE2 HIS 10 HE2 HIS 10 19.312 21.220 7.743 76 H MET 11 H MET 11 15.443 14.974 8.510 77 HA MET 11 HA MET 11 16.400 14.779 5.796 78 HB2 MET 11 2HB MET 11 13.691 14.082 7.018 79 HB3 MET 11 3HB MET 11 14.146 13.700 5.361 80 HG2 MET 11 2HG MET 11 15.897 12.204 6.147 81 HG3 MET 11 3HG MET 11 15.578 12.666 7.819 82 HE1 MET 11 3HE MET 11 12.687 12.097 5.139 83 HE2 MET 11 1HE MET 11 12.517 10.349 5.246 84 HE3 MET 11 2HE MET 11 14.002 11.049 4.603 85 H GLY 12 H GLY 12 13.995 16.652 7.502 86 HA2 GLY 12 2HA GLY 12 14.539 18.902 5.686 87 HA3 GLY 12 3HA GLY 12 12.852 18.521 6.083 88 H SER 13 H SER 13 12.163 18.668 8.216 89 HA SER 13 HA SER 13 13.887 19.401 10.423 90 HB2 SER 13 2HB SER 13 11.680 21.330 9.509 91 HB3 SER 13 3HB SER 13 12.544 21.450 11.041 92 HG SER 13 HG SER 13 13.607 21.712 8.430 93 H GLU 14 H GLU 14 10.511 19.512 9.366 94 HA GLU 14 HA GLU 14 9.749 17.302 11.160 95 HB2 GLU 14 2HB GLU 14 8.111 19.855 10.684 96 HB3 GLU 14 3HB GLU 14 7.590 18.459 11.627 97 HG2 GLU 14 2HG GLU 14 9.288 18.884 13.313 98 HG3 GLU 14 3HG GLU 14 10.001 20.165 12.339 99 H GLU 15 H GLU 15 9.495 15.769 9.607 100 HA GLU 15 HA GLU 15 9.156 16.386 6.849 101 HB2 GLU 15 2HB GLU 15 9.128 13.723 8.323 102 HB3 GLU 15 3HB GLU 15 9.039 13.857 6.571 103 HG2 GLU 15 2HG GLU 15 11.312 13.339 7.204 104 HG3 GLU 15 3HG GLU 15 11.257 14.974 6.550 105 H ASP 16 H ASP 16 7.489 15.241 5.443 106 HA ASP 16 HA ASP 16 5.030 16.526 6.020 107 HB2 ASP 16 2HB ASP 16 5.830 14.644 3.762 108 HB3 ASP 16 3HB ASP 16 4.284 15.479 3.815 109 H ASP 17 H ASP 17 4.405 15.476 8.020 110 HA ASP 17 HA ASP 17 3.683 12.719 8.195 111 HB2 ASP 17 2HB ASP 17 2.912 15.073 9.962 112 HB3 ASP 17 3HB ASP 17 2.556 13.392 10.344 113 H GLY 18 H GLY 18 2.016 15.570 7.091 114 HA2 GLY 18 2HA GLY 18 -0.665 14.696 7.274 115 HA3 GLY 18 3HA GLY 18 -0.034 15.891 6.153 116 H VAL 19 H VAL 19 1.651 14.566 4.548 117 HA VAL 19 HA VAL 19 0.105 13.062 2.744 118 HB VAL 19 HB VAL 19 3.155 13.172 3.008 119 HG11 VAL 19 1HG1 VAL 19 1.483 12.243 0.633 120 HG12 VAL 19 2HG1 VAL 19 2.493 11.217 1.655 121 HG13 VAL 19 3HG1 VAL 19 3.240 12.448 0.635 122 HG21 VAL 19 3HG2 VAL 19 2.172 15.398 2.646 123 HG22 VAL 19 1HG2 VAL 19 1.287 14.801 1.238 124 HG23 VAL 19 2HG2 VAL 19 3.051 14.876 1.208 125 H VAL 20 H VAL 20 2.554 12.047 5.113 126 HA VAL 20 HA VAL 20 2.587 9.286 4.720 127 HB VAL 20 HB VAL 20 3.096 10.931 7.249 128 HG11 VAL 20 1HG1 VAL 20 3.785 8.006 6.803 129 HG12 VAL 20 2HG1 VAL 20 2.626 8.637 7.970 130 HG13 VAL 20 3HG1 VAL 20 4.342 8.987 8.160 131 HG21 VAL 20 3HG2 VAL 20 4.620 11.413 5.363 132 HG22 VAL 20 1HG2 VAL 20 5.060 9.705 5.268 133 HG23 VAL 20 2HG2 VAL 20 5.482 10.655 6.702 134 H ALA 21 H ALA 21 0.472 11.228 6.823 135 HA ALA 21 HA ALA 21 -0.764 9.036 8.187 136 HB1 ALA 21 3HB ALA 21 -2.267 10.732 9.150 137 HB2 ALA 21 1HB ALA 21 -1.676 11.931 7.990 138 HB3 ALA 21 2HB ALA 21 -0.587 11.271 9.211 139 H MET 22 H MET 22 -1.716 11.072 5.411 140 HA MET 22 HA MET 22 -4.344 9.922 5.231 141 HB2 MET 22 2HB MET 22 -4.663 11.173 3.186 142 HB3 MET 22 3HB MET 22 -3.917 12.209 4.389 143 HG2 MET 22 2HG MET 22 -1.769 12.021 3.269 144 HG3 MET 22 3HG MET 22 -2.444 10.883 2.103 145 HE1 MET 22 3HE MET 22 -4.982 13.224 0.151 146 HE2 MET 22 1HE MET 22 -5.367 12.246 1.567 147 HE3 MET 22 2HE MET 22 -4.344 11.585 0.290 148 H ILE 23 H ILE 23 -1.187 9.129 3.800 149 HA ILE 23 HA ILE 23 -2.057 7.154 1.960 150 HB ILE 23 HB ILE 23 0.554 7.252 3.562 151 HG12 ILE 23 2HG1 ILE 23 0.029 7.994 0.643 152 HG13 ILE 23 3HG1 ILE 23 0.229 9.146 1.952 153 HG21 ILE 23 1HG2 ILE 23 -0.141 5.462 1.198 154 HG22 ILE 23 2HG2 ILE 23 0.130 4.935 2.860 155 HG23 ILE 23 3HG2 ILE 23 1.461 5.612 1.924 156 HD11 ILE 23 3HD1 ILE 23 2.246 8.988 0.644 157 HD12 ILE 23 1HD1 ILE 23 2.340 7.248 0.922 158 HD13 ILE 23 2HD1 ILE 23 2.542 8.373 2.269 159 H LYS 24 H LYS 24 -1.154 6.966 5.424 160 HA LYS 24 HA LYS 24 -1.477 4.276 5.972 161 HB2 LYS 24 2HB LYS 24 -2.158 6.658 7.736 162 HB3 LYS 24 3HB LYS 24 -2.097 4.999 8.329 163 HG2 LYS 24 2HG LYS 24 0.271 4.859 7.829 164 HG3 LYS 24 3HG LYS 24 0.249 6.472 7.100 165 HD2 LYS 24 2HD LYS 24 -0.329 7.474 9.278 166 HD3 LYS 24 3HD LYS 24 -0.402 5.871 10.020 167 HE2 LYS 24 2HE LYS 24 1.981 5.548 9.628 168 HE3 LYS 24 3HE LYS 24 2.076 7.084 8.773 169 HZ1 LYS 24 3HZ LYS 24 1.330 6.799 11.625 170 HZ2 LYS 24 1HZ LYS 24 1.580 8.245 10.788 171 HZ3 LYS 24 2HZ LYS 24 2.877 7.197 11.070 172 H GLU 25 H GLU 25 -4.033 6.805 5.953 173 HA GLU 25 HA GLU 25 -6.068 4.940 6.786 174 HB2 GLU 25 2HB GLU 25 -7.589 6.721 6.880 175 HB3 GLU 25 3HB GLU 25 -6.056 7.458 7.327 176 HG2 GLU 25 2HG GLU 25 -5.848 8.457 5.108 177 HG3 GLU 25 3HG GLU 25 -7.310 7.612 4.568 178 H LEU 26 H LEU 26 -5.056 6.365 3.646 179 HA LEU 26 HA LEU 26 -7.190 5.390 2.067 180 HB2 LEU 26 2HB LEU 26 -4.302 5.982 1.321 181 HB3 LEU 26 3HB LEU 26 -5.491 5.476 0.133 182 HG LEU 26 HG LEU 26 -5.594 8.047 1.768 183 HD11 LEU 26 1HD1 LEU 26 -5.065 7.653 -1.191 184 HD12 LEU 26 2HD1 LEU 26 -3.868 8.093 0.030 185 HD13 LEU 26 3HD1 LEU 26 -5.187 9.199 -0.343 186 HD21 LEU 26 3HD2 LEU 26 -7.512 7.074 -0.375 187 HD22 LEU 26 1HD2 LEU 26 -7.523 8.672 0.378 188 HD23 LEU 26 2HD2 LEU 26 -7.861 7.242 1.349 189 H LEU 27 H LEU 27 -4.259 3.822 3.258 190 HA LEU 27 HA LEU 27 -4.675 1.304 1.950 191 HB2 LEU 27 2HB LEU 27 -3.180 1.959 4.521 192 HB3 LEU 27 3HB LEU 27 -3.079 0.428 3.659 193 HG LEU 27 HG LEU 27 -2.162 3.104 2.522 194 HD11 LEU 27 1HD1 LEU 27 -0.485 0.885 3.709 195 HD12 LEU 27 2HD1 LEU 27 -0.783 2.471 4.427 196 HD13 LEU 27 3HD1 LEU 27 0.118 2.347 2.918 197 HD21 LEU 27 3HD2 LEU 27 -1.747 0.288 1.471 198 HD22 LEU 27 1HD2 LEU 27 -1.070 1.767 0.781 199 HD23 LEU 27 2HD2 LEU 27 -2.812 1.514 0.776 200 H ASP 28 H ASP 28 -5.414 2.602 5.180 201 HA ASP 28 HA ASP 28 -6.317 0.196 6.353 202 HB2 ASP 28 2HB ASP 28 -5.415 2.187 7.589 203 HB3 ASP 28 3HB ASP 28 -6.898 3.061 7.229 204 H THR 29 H THR 29 -7.999 2.593 4.487 205 HA THR 29 HA THR 29 -10.664 1.644 5.245 206 HB THR 29 HB THR 29 -11.447 3.594 3.855 207 HG1 THR 29 HG1 THR 29 -9.136 4.915 3.615 208 HG21 THR 29 3HG2 THR 29 -9.351 4.347 5.927 209 HG22 THR 29 1HG2 THR 29 -11.036 3.941 6.275 210 HG23 THR 29 2HG2 THR 29 -10.651 5.390 5.343 211 H ARG 30 H ARG 30 -8.437 1.648 2.475 212 HA ARG 30 HA ARG 30 -10.516 0.472 0.711 213 HB2 ARG 30 2HB ARG 30 -7.882 1.785 -0.061 214 HB3 ARG 30 3HB ARG 30 -9.147 1.251 -1.171 215 HG2 ARG 30 2HG ARG 30 -10.664 2.964 -0.340 216 HG3 ARG 30 3HG ARG 30 -9.513 3.434 0.915 217 HD2 ARG 30 2HD ARG 30 -7.929 4.183 -0.811 218 HD3 ARG 30 3HD ARG 30 -9.054 3.684 -2.080 219 HE ARG 30 HE ARG 30 -9.776 5.761 -0.095 220 HH11 ARG 30 1HH1 ARG 30 -9.414 4.749 -3.441 221 HH12 ARG 30 2HH1 ARG 30 -10.124 6.191 -4.082 222 HH21 ARG 30 1HH2 ARG 30 -10.668 7.677 -0.955 223 HH22 ARG 30 2HH2 ARG 30 -10.834 7.853 -2.668 224 H ILE 31 H ILE 31 -6.995 0.125 1.439 225 HA ILE 31 HA ILE 31 -6.821 -2.185 -0.331 226 HB ILE 31 HB ILE 31 -4.652 -0.869 1.349 227 HG12 ILE 31 2HG1 ILE 31 -5.496 0.703 -0.307 228 HG13 ILE 31 3HG1 ILE 31 -3.904 0.153 -0.810 229 HG21 ILE 31 1HG2 ILE 31 -4.068 -3.195 0.821 230 HG22 ILE 31 2HG2 ILE 31 -3.032 -2.082 -0.069 231 HG23 ILE 31 3HG2 ILE 31 -4.361 -2.901 -0.896 232 HD11 ILE 31 3HD1 ILE 31 -5.432 0.348 -2.683 233 HD12 ILE 31 1HD1 ILE 31 -6.542 -0.801 -1.938 234 HD13 ILE 31 2HD1 ILE 31 -4.941 -1.330 -2.463 235 H ARG 32 H ARG 32 -5.837 -1.603 3.092 236 HA ARG 32 HA ARG 32 -5.151 -4.127 3.834 237 HB2 ARG 32 2HB ARG 32 -6.545 -2.150 5.672 238 HB3 ARG 32 3HB ARG 32 -5.607 -3.549 6.198 239 HG2 ARG 32 2HG ARG 32 -3.598 -2.511 5.111 240 HG3 ARG 32 3HG ARG 32 -4.568 -1.074 4.780 241 HD2 ARG 32 2HD ARG 32 -3.283 -0.679 6.778 242 HD3 ARG 32 3HD ARG 32 -4.974 -0.866 7.255 243 HE ARG 32 HE ARG 32 -3.542 -3.344 7.377 244 HH11 ARG 32 1HH1 ARG 32 -4.061 -0.367 9.205 245 HH12 ARG 32 2HH1 ARG 32 -3.663 -1.109 10.722 246 HH21 ARG 32 1HH2 ARG 32 -3.039 -4.267 9.352 247 HH22 ARG 32 2HH2 ARG 32 -3.084 -3.320 10.809 248 HA PRO 33 HA PRO 33 -9.859 -5.094 5.376 249 HB2 PRO 33 2HB PRO 33 -11.221 -3.530 3.160 250 HB3 PRO 33 3HB PRO 33 -11.785 -3.881 4.812 251 HG2 PRO 33 2HG PRO 33 -10.868 -1.475 4.261 252 HG3 PRO 33 3HG PRO 33 -10.394 -2.267 5.784 253 HD2 PRO 33 2HD PRO 33 -8.799 -1.960 3.247 254 HD3 PRO 33 3HD PRO 33 -8.278 -1.793 4.934 255 H THR 34 H THR 34 -9.245 -4.473 1.923 256 HA THR 34 HA THR 34 -10.570 -6.725 0.844 257 HB THR 34 HB THR 34 -8.295 -5.078 -0.362 258 HG1 THR 34 HG1 THR 34 -11.041 -4.610 -0.843 259 HG21 THR 34 3HG2 THR 34 -10.497 -6.659 -1.749 260 HG22 THR 34 1HG2 THR 34 -8.795 -7.139 -1.661 261 HG23 THR 34 2HG2 THR 34 -9.259 -5.679 -2.539 262 H VAL 35 H VAL 35 -7.184 -6.121 1.735 263 HA VAL 35 HA VAL 35 -6.105 -8.588 0.763 264 HB VAL 35 HB VAL 35 -4.897 -6.687 2.835 265 HG11 VAL 35 1HG1 VAL 35 -2.712 -7.571 2.090 266 HG12 VAL 35 2HG1 VAL 35 -3.530 -8.690 0.994 267 HG13 VAL 35 3HG1 VAL 35 -3.730 -8.858 2.739 268 HG21 VAL 35 3HG2 VAL 35 -5.500 -5.473 0.772 269 HG22 VAL 35 1HG2 VAL 35 -4.584 -6.633 -0.191 270 HG23 VAL 35 2HG2 VAL 35 -3.749 -5.577 0.955 271 H GLN 36 H GLN 36 -7.441 -7.521 3.831 272 HA GLN 36 HA GLN 36 -6.633 -9.739 5.437 273 HB2 GLN 36 2HB GLN 36 -8.849 -7.685 5.826 274 HB3 GLN 36 3HB GLN 36 -8.377 -8.867 7.049 275 HG2 GLN 36 2HG GLN 36 -6.233 -7.871 7.339 276 HG3 GLN 36 3HG GLN 36 -6.383 -6.914 5.874 277 HE21 GLN 36 1HE2 GLN 36 -5.665 -5.842 8.358 278 HE22 GLN 36 2HE2 GLN 36 -6.901 -4.728 8.823 279 H GLU 37 H GLU 37 -9.490 -9.016 3.466 280 HA GLU 37 HA GLU 37 -10.941 -11.422 3.985 281 HB2 GLU 37 2HB GLU 37 -10.977 -9.565 1.562 282 HB3 GLU 37 3HB GLU 37 -12.144 -10.855 1.853 283 HG2 GLU 37 2HG GLU 37 -12.958 -9.739 3.858 284 HG3 GLU 37 3HG GLU 37 -11.725 -8.487 3.705 285 H ASP 38 H ASP 38 -8.418 -10.515 1.691 286 HA ASP 38 HA ASP 38 -8.404 -12.847 0.068 287 HB2 ASP 38 2HB ASP 38 -7.419 -10.664 -0.595 288 HB3 ASP 38 3HB ASP 38 -6.203 -10.809 0.662 289 H GLY 39 H GLY 39 -7.031 -12.129 3.203 290 HA2 GLY 39 2HA GLY 39 -6.703 -13.971 4.746 291 HA3 GLY 39 3HA GLY 39 -6.049 -14.935 3.430 292 H GLY 40 H GLY 40 -5.275 -11.566 4.031 293 HA2 GLY 40 2HA GLY 40 -2.783 -12.128 5.445 294 HA3 GLY 40 3HA GLY 40 -2.628 -11.412 3.837 295 H ASP 41 H ASP 41 -1.872 -9.413 4.473 296 HA ASP 41 HA ASP 41 -3.680 -7.361 5.024 297 HB2 ASP 41 2HB ASP 41 -3.680 -8.217 7.367 298 HB3 ASP 41 3HB ASP 41 -1.928 -8.067 7.429 299 H VAL 42 H VAL 42 -2.534 -5.233 5.181 300 HA VAL 42 HA VAL 42 0.304 -5.287 4.347 301 HB VAL 42 HB VAL 42 -0.104 -3.322 2.817 302 HG11 VAL 42 1HG1 VAL 42 0.048 -5.602 1.893 303 HG12 VAL 42 2HG1 VAL 42 -1.039 -4.593 0.939 304 HG13 VAL 42 3HG1 VAL 42 -1.700 -5.791 2.056 305 HG21 VAL 42 3HG2 VAL 42 -2.368 -2.772 2.038 306 HG22 VAL 42 1HG2 VAL 42 -2.224 -2.483 3.772 307 HG23 VAL 42 2HG2 VAL 42 -3.062 -3.920 3.186 308 H ILE 43 H ILE 43 1.489 -4.182 5.766 309 HA ILE 43 HA ILE 43 0.188 -2.246 7.603 310 HB ILE 43 HB ILE 43 2.827 -3.748 8.026 311 HG12 ILE 43 2HG1 ILE 43 1.502 -4.852 9.985 312 HG13 ILE 43 3HG1 ILE 43 0.048 -4.298 9.164 313 HG21 ILE 43 1HG2 ILE 43 2.755 -2.836 10.330 314 HG22 ILE 43 2HG2 ILE 43 1.302 -1.923 9.924 315 HG23 ILE 43 3HG2 ILE 43 2.831 -1.549 9.123 316 HD11 ILE 43 3HD1 ILE 43 0.614 -5.672 7.233 317 HD12 ILE 43 1HD1 ILE 43 0.544 -6.636 8.707 318 HD13 ILE 43 2HD1 ILE 43 2.107 -6.187 8.023 319 H TYR 44 H TYR 44 0.795 -0.149 7.424 320 HA TYR 44 HA TYR 44 2.646 0.748 5.466 321 HB2 TYR 44 2HB TYR 44 0.647 2.047 6.169 322 HB3 TYR 44 3HB TYR 44 1.363 2.288 7.758 323 HD1 TYR 44 HD2 TYR 44 1.819 3.039 4.126 324 HD2 TYR 44 HD1 TYR 44 2.915 4.086 8.121 325 HE1 TYR 44 HE2 TYR 44 2.897 5.082 3.301 326 HE2 TYR 44 HE1 TYR 44 3.980 6.121 7.288 327 HH TYR 44 HH TYR 44 3.486 7.290 4.143 328 H LYS 45 H LYS 45 4.793 0.680 5.649 329 HA LYS 45 HA LYS 45 6.081 0.711 8.310 330 HB2 LYS 45 2HB LYS 45 6.965 -0.489 5.654 331 HB3 LYS 45 3HB LYS 45 8.056 -0.326 7.030 332 HG2 LYS 45 2HG LYS 45 5.458 -1.908 7.013 333 HG3 LYS 45 3HG LYS 45 7.088 -2.595 6.909 334 HD2 LYS 45 2HD LYS 45 7.627 -1.769 9.153 335 HD3 LYS 45 3HD LYS 45 6.088 -0.913 9.252 336 HE2 LYS 45 2HE LYS 45 4.889 -3.059 9.243 337 HE3 LYS 45 3HE LYS 45 6.428 -3.920 9.130 338 HZ1 LYS 45 3HZ LYS 45 5.687 -3.851 11.404 339 HZ2 LYS 45 1HZ LYS 45 5.562 -2.166 11.362 340 HZ3 LYS 45 2HZ LYS 45 7.080 -2.904 11.249 341 H GLY 46 H GLY 46 5.898 2.490 5.281 342 HA2 GLY 46 2HA GLY 46 6.625 4.873 6.448 343 HA3 GLY 46 3HA GLY 46 8.155 4.195 5.906 344 H PHE 47 H PHE 47 7.997 6.334 4.816 345 HA PHE 47 HA PHE 47 7.297 5.955 1.998 346 HB2 PHE 47 2HB PHE 47 5.324 7.121 2.992 347 HB3 PHE 47 3HB PHE 47 6.370 8.358 3.667 348 HD1 PHE 47 HD2 PHE 47 5.389 6.852 0.370 349 HD2 PHE 47 HD1 PHE 47 6.622 10.381 2.452 350 HE1 PHE 47 HE2 PHE 47 5.004 8.190 -1.653 351 HE2 PHE 47 HE1 PHE 47 6.228 11.707 0.419 352 HZ PHE 47 HZ PHE 47 5.422 10.614 -1.632 353 H GLU 48 H GLU 48 9.324 6.158 1.202 354 HA GLU 48 HA GLU 48 11.127 8.292 2.219 355 HB2 GLU 48 2HB GLU 48 11.984 5.524 1.230 356 HB3 GLU 48 3HB GLU 48 13.034 6.786 1.866 357 HG2 GLU 48 2HG GLU 48 10.974 5.184 3.421 358 HG3 GLU 48 3HG GLU 48 12.723 5.007 3.511 359 H ASP 49 H ASP 49 10.933 9.766 0.605 360 HA ASP 49 HA ASP 49 11.080 10.810 -1.383 361 HB2 ASP 49 2HB ASP 49 13.110 8.604 -1.908 362 HB3 ASP 49 3HB ASP 49 12.953 10.060 -2.887 363 H GLY 50 H GLY 50 8.818 9.719 -1.433 364 HA2 GLY 50 2HA GLY 50 7.153 9.405 -3.021 365 HA3 GLY 50 3HA GLY 50 8.365 8.997 -4.216 366 H ILE 51 H ILE 51 9.302 6.984 -1.939 367 HA ILE 51 HA ILE 51 7.783 4.780 -3.147 368 HB ILE 51 HB ILE 51 10.346 4.681 -1.493 369 HG12 ILE 51 2HG1 ILE 51 10.757 5.908 -3.585 370 HG13 ILE 51 3HG1 ILE 51 11.514 4.325 -3.682 371 HG21 ILE 51 1HG2 ILE 51 10.575 2.382 -2.388 372 HG22 ILE 51 2HG2 ILE 51 9.004 2.537 -3.176 373 HG23 ILE 51 3HG2 ILE 51 9.113 2.565 -1.415 374 HD11 ILE 51 3HD1 ILE 51 9.651 3.545 -5.092 375 HD12 ILE 51 1HD1 ILE 51 10.499 4.931 -5.774 376 HD13 ILE 51 2HD1 ILE 51 8.933 5.158 -5.003 377 H VAL 52 H VAL 52 6.061 4.169 -2.057 378 HA VAL 52 HA VAL 52 5.742 4.485 0.807 379 HB VAL 52 HB VAL 52 3.873 3.091 -1.175 380 HG11 VAL 52 1HG1 VAL 52 3.411 2.523 1.179 381 HG12 VAL 52 2HG1 VAL 52 2.116 3.518 0.509 382 HG13 VAL 52 3HG1 VAL 52 3.316 4.238 1.586 383 HG21 VAL 52 3HG2 VAL 52 2.628 5.209 -1.309 384 HG22 VAL 52 1HG2 VAL 52 4.283 5.420 -1.885 385 HG23 VAL 52 2HG2 VAL 52 3.824 5.994 -0.280 386 H GLN 53 H GLN 53 6.856 3.066 2.026 387 HA GLN 53 HA GLN 53 7.482 0.371 1.083 388 HB2 GLN 53 2HB GLN 53 8.372 1.999 3.496 389 HB3 GLN 53 3HB GLN 53 8.839 0.317 3.255 390 HG2 GLN 53 2HG GLN 53 9.913 0.949 1.095 391 HG3 GLN 53 3HG GLN 53 9.497 2.634 1.410 392 HE21 GLN 53 1HE2 GLN 53 11.758 3.126 1.298 393 HE22 GLN 53 2HE2 GLN 53 12.812 2.777 2.620 394 H LEU 54 H LEU 54 6.245 -1.324 1.597 395 HA LEU 54 HA LEU 54 4.388 -1.220 3.906 396 HB2 LEU 54 2HB LEU 54 3.743 -2.230 1.101 397 HB3 LEU 54 3HB LEU 54 2.662 -2.313 2.486 398 HG LEU 54 HG LEU 54 3.609 0.237 1.109 399 HD11 LEU 54 1HD1 LEU 54 1.977 -0.997 -0.222 400 HD12 LEU 54 2HD1 LEU 54 1.289 0.496 0.406 401 HD13 LEU 54 3HD1 LEU 54 0.866 -1.050 1.151 402 HD21 LEU 54 3HD2 LEU 54 3.337 0.647 3.485 403 HD22 LEU 54 1HD2 LEU 54 1.737 -0.102 3.472 404 HD23 LEU 54 2HD2 LEU 54 2.021 1.404 2.593 405 H LYS 55 H LYS 55 4.233 -3.058 5.059 406 HA LYS 55 HA LYS 55 5.829 -5.403 4.384 407 HB2 LYS 55 2HB LYS 55 5.920 -4.573 6.687 408 HB3 LYS 55 3HB LYS 55 4.169 -4.691 6.845 409 HG2 LYS 55 2HG LYS 55 4.327 -7.161 6.622 410 HG3 LYS 55 3HG LYS 55 6.087 -7.026 6.492 411 HD2 LYS 55 2HD LYS 55 6.223 -6.131 8.767 412 HD3 LYS 55 3HD LYS 55 4.459 -6.115 8.903 413 HE2 LYS 55 2HE LYS 55 5.419 -8.053 10.076 414 HE3 LYS 55 3HE LYS 55 4.418 -8.570 8.720 415 HZ1 LYS 55 3HZ LYS 55 6.501 -8.796 7.416 416 HZ2 LYS 55 1HZ LYS 55 6.398 -9.853 8.729 417 HZ3 LYS 55 2HZ LYS 55 7.377 -8.487 8.821 418 H LEU 56 H LEU 56 4.887 -6.900 3.079 419 HA LEU 56 HA LEU 56 1.967 -7.219 2.975 420 HB2 LEU 56 2HB LEU 56 4.046 -8.764 1.368 421 HB3 LEU 56 3HB LEU 56 2.322 -8.654 1.051 422 HG LEU 56 HG LEU 56 4.443 -6.520 0.607 423 HD11 LEU 56 1HD1 LEU 56 2.513 -7.862 -1.309 424 HD12 LEU 56 2HD1 LEU 56 4.243 -8.186 -1.159 425 HD13 LEU 56 3HD1 LEU 56 3.693 -6.610 -1.721 426 HD21 LEU 56 3HD2 LEU 56 2.539 -5.349 1.563 427 HD22 LEU 56 1HD2 LEU 56 1.440 -6.119 0.415 428 HD23 LEU 56 2HD2 LEU 56 2.672 -4.988 -0.154 429 H GLN 57 H GLN 57 0.916 -8.927 3.902 430 HA GLN 57 HA GLN 57 2.440 -10.820 5.581 431 HB2 GLN 57 2HB GLN 57 -0.521 -10.116 5.430 432 HB3 GLN 57 3HB GLN 57 0.089 -11.429 6.428 433 HG2 GLN 57 2HG GLN 57 0.995 -8.555 6.739 434 HG3 GLN 57 3HG GLN 57 -0.371 -9.240 7.615 435 HE21 GLN 57 1HE2 GLN 57 2.065 -8.146 8.739 436 HE22 GLN 57 2HE2 GLN 57 2.792 -9.409 9.661 437 H GLY 58 H GLY 58 1.199 -13.067 5.712 438 HA2 GLY 58 2HA GLY 58 2.010 -14.544 3.501 439 HA3 GLY 58 3HA GLY 58 0.985 -15.137 4.792 440 H SER 59 H SER 59 0.711 -16.114 2.281 441 HA SER 59 HA SER 59 -0.674 -16.602 0.593 442 HB2 SER 59 2HB SER 59 -2.658 -14.537 1.644 443 HB3 SER 59 3HB SER 59 -2.995 -15.866 0.529 444 HG SER 59 HG SER 59 -2.575 -15.897 3.293 445 H CYS 60 H CYS 60 -0.958 -13.091 1.154 446 HA CYS 60 HA CYS 60 -1.004 -12.272 -1.537 447 HB2 CYS 60 2HB CYS 60 -0.111 -10.678 0.894 448 HB3 CYS 60 3HB CYS 60 -0.757 -10.031 -0.619 449 HG CYS 60 HG CYS 60 -2.976 -12.122 0.448 450 H THR 61 H THR 61 1.680 -12.530 0.806 451 HA THR 61 HA THR 61 3.683 -11.630 -1.123 452 HB THR 61 HB THR 61 3.816 -10.959 1.294 453 HG1 THR 61 HG1 THR 61 5.989 -12.410 0.165 454 HG21 THR 61 3HG2 THR 61 3.107 -13.095 2.349 455 HG22 THR 61 1HG2 THR 61 4.660 -12.534 2.980 456 HG23 THR 61 2HG2 THR 61 4.608 -13.849 1.806 457 H SER 62 H SER 62 2.143 -14.519 -0.611 458 HA SER 62 HA SER 62 4.432 -16.322 -0.708 459 HB2 SER 62 2HB SER 62 1.452 -16.954 -0.642 460 HB3 SER 62 3HB SER 62 2.782 -18.084 -0.329 461 HG SER 62 HG SER 62 3.229 -16.131 1.300 462 H CYS 63 H CYS 63 2.610 -14.694 -3.000 463 HA CYS 63 HA CYS 63 3.413 -16.518 -5.150 464 HB2 CYS 63 2HB CYS 63 1.100 -16.232 -6.179 465 HB3 CYS 63 3HB CYS 63 1.144 -17.225 -4.725 466 HG CYS 63 HG CYS 63 -0.325 -15.731 -3.203 467 HA PRO 64 HA PRO 64 4.876 -12.524 -6.587 468 HB2 PRO 64 2HB PRO 64 5.446 -13.182 -9.228 469 HB3 PRO 64 3HB PRO 64 6.476 -13.631 -7.850 470 HG2 PRO 64 2HG PRO 64 4.404 -15.292 -9.263 471 HG3 PRO 64 3HG PRO 64 6.046 -15.744 -8.747 472 HD2 PRO 64 2HD PRO 64 3.894 -16.461 -7.289 473 HD3 PRO 64 3HD PRO 64 5.417 -15.998 -6.496 474 H SER 65 H SER 65 2.245 -14.189 -8.231 475 HA SER 65 HA SER 65 1.335 -12.165 -9.939 476 HB2 SER 65 2HB SER 65 -0.276 -14.304 -8.484 477 HB3 SER 65 3HB SER 65 -0.841 -13.372 -9.876 478 HG SER 65 HG SER 65 0.299 -14.598 -11.150 479 H SER 66 H SER 66 0.439 -12.895 -6.545 480 HA SER 66 HA SER 66 -1.408 -10.726 -6.322 481 HB2 SER 66 2HB SER 66 -0.141 -12.471 -4.174 482 HB3 SER 66 3HB SER 66 -1.453 -11.321 -3.896 483 HG SER 66 HG SER 66 -2.453 -12.640 -5.757 484 H ILE 67 H ILE 67 2.042 -11.134 -5.505 485 HA ILE 67 HA ILE 67 2.431 -8.756 -4.049 486 HB ILE 67 HB ILE 67 4.406 -10.181 -5.897 487 HG12 ILE 67 2HG1 ILE 67 4.011 -10.489 -2.879 488 HG13 ILE 67 3HG1 ILE 67 3.443 -11.633 -4.088 489 HG21 ILE 67 1HG2 ILE 67 4.971 -8.193 -3.656 490 HG22 ILE 67 2HG2 ILE 67 5.190 -7.900 -5.382 491 HG23 ILE 67 3HG2 ILE 67 6.193 -9.094 -4.561 492 HD11 ILE 67 3HD1 ILE 67 5.458 -12.426 -3.042 493 HD12 ILE 67 1HD1 ILE 67 6.321 -10.957 -3.498 494 HD13 ILE 67 2HD1 ILE 67 5.761 -12.079 -4.743 495 H ILE 68 H ILE 68 2.650 -9.375 -7.565 496 HA ILE 68 HA ILE 68 3.446 -6.763 -8.349 497 HB ILE 68 HB ILE 68 2.257 -9.097 -9.904 498 HG12 ILE 68 2HG1 ILE 68 5.087 -7.938 -9.859 499 HG13 ILE 68 3HG1 ILE 68 4.573 -9.385 -9.002 500 HG21 ILE 68 1HG2 ILE 68 2.854 -7.930 -12.009 501 HG22 ILE 68 2HG2 ILE 68 3.262 -6.483 -11.085 502 HG23 ILE 68 3HG2 ILE 68 1.599 -7.071 -11.113 503 HD11 ILE 68 3HD1 ILE 68 4.679 -9.028 -11.997 504 HD12 ILE 68 1HD1 ILE 68 4.097 -10.470 -11.158 505 HD13 ILE 68 2HD1 ILE 68 5.781 -9.973 -10.995 506 H THR 69 H THR 69 0.243 -8.417 -8.503 507 HA THR 69 HA THR 69 -1.245 -6.299 -9.587 508 HB THR 69 HB THR 69 -2.306 -8.438 -7.675 509 HG1 THR 69 HG1 THR 69 -1.907 -9.802 -9.212 510 HG21 THR 69 3HG2 THR 69 -3.949 -6.631 -8.164 511 HG22 THR 69 1HG2 THR 69 -4.436 -8.166 -8.901 512 HG23 THR 69 2HG2 THR 69 -3.717 -6.900 -9.892 513 H LEU 70 H LEU 70 -0.647 -7.202 -6.190 514 HA LEU 70 HA LEU 70 -2.383 -5.351 -4.962 515 HB2 LEU 70 2HB LEU 70 -1.490 -7.396 -3.878 516 HB3 LEU 70 3HB LEU 70 0.113 -6.693 -3.862 517 HG LEU 70 HG LEU 70 -0.624 -4.988 -2.225 518 HD11 LEU 70 1HD1 LEU 70 -2.948 -4.728 -2.903 519 HD12 LEU 70 2HD1 LEU 70 -2.839 -5.096 -1.186 520 HD13 LEU 70 3HD1 LEU 70 -3.328 -6.354 -2.326 521 HD21 LEU 70 3HD2 LEU 70 0.292 -7.099 -1.385 522 HD22 LEU 70 1HD2 LEU 70 -1.316 -7.830 -1.392 523 HD23 LEU 70 2HD2 LEU 70 -0.953 -6.495 -0.299 524 H LYS 71 H LYS 71 1.193 -5.272 -5.318 525 HA LYS 71 HA LYS 71 1.717 -2.765 -4.225 526 HB2 LYS 71 2HB LYS 71 3.430 -4.465 -4.666 527 HB3 LYS 71 3HB LYS 71 3.201 -4.307 -6.396 528 HG2 LYS 71 2HG LYS 71 4.114 -1.914 -4.796 529 HG3 LYS 71 3HG LYS 71 5.270 -3.186 -5.176 530 HD2 LYS 71 2HD LYS 71 3.706 -1.509 -7.191 531 HD3 LYS 71 3HD LYS 71 5.422 -1.359 -6.810 532 HE2 LYS 71 2HE LYS 71 5.779 -3.674 -7.671 533 HE3 LYS 71 3HE LYS 71 4.073 -3.746 -8.124 534 HZ1 LYS 71 3HZ LYS 71 4.449 -1.866 -9.618 535 HZ2 LYS 71 1HZ LYS 71 5.457 -3.171 -10.003 536 HZ3 LYS 71 2HZ LYS 71 6.085 -1.832 -9.186 537 H ASN 72 H ASN 72 0.971 -3.626 -7.597 538 HA ASN 72 HA ASN 72 1.284 -1.017 -8.704 539 HB2 ASN 72 2HB ASN 72 0.010 -3.584 -9.704 540 HB3 ASN 72 3HB ASN 72 -0.146 -2.105 -10.641 541 HD21 ASN 72 1HD2 ASN 72 1.314 -4.677 -11.143 542 HD22 ASN 72 2HD2 ASN 72 2.920 -4.188 -11.561 543 H GLY 73 H GLY 73 -1.533 -2.784 -7.467 544 HA2 GLY 73 2HA GLY 73 -3.536 -0.934 -8.228 545 HA3 GLY 73 3HA GLY 73 -3.666 -2.136 -6.958 546 H ILE 74 H ILE 74 -1.681 -1.319 -5.242 547 HA ILE 74 HA ILE 74 -2.777 0.788 -3.723 548 HB ILE 74 HB ILE 74 0.009 -0.482 -3.616 549 HG12 ILE 74 2HG1 ILE 74 -2.436 -1.069 -1.883 550 HG13 ILE 74 3HG1 ILE 74 -1.913 -2.062 -3.234 551 HG21 ILE 74 1HG2 ILE 74 0.175 0.402 -1.310 552 HG22 ILE 74 2HG2 ILE 74 -1.348 1.264 -1.532 553 HG23 ILE 74 3HG2 ILE 74 0.063 1.696 -2.501 554 HD11 ILE 74 3HD1 ILE 74 -1.218 -3.067 -1.172 555 HD12 ILE 74 1HD1 ILE 74 -0.395 -1.591 -0.671 556 HD13 ILE 74 2HD1 ILE 74 0.207 -2.515 -2.049 557 H GLN 75 H GLN 75 -0.067 0.598 -5.999 558 HA GLN 75 HA GLN 75 1.038 3.160 -5.649 559 HB2 GLN 75 2HB GLN 75 2.161 1.235 -6.777 560 HB3 GLN 75 3HB GLN 75 1.071 1.414 -8.147 561 HG2 GLN 75 2HG GLN 75 2.018 3.620 -8.642 562 HG3 GLN 75 3HG GLN 75 3.048 3.520 -7.215 563 HE21 GLN 75 1HE2 GLN 75 3.688 0.672 -7.641 564 HE22 GLN 75 2HE2 GLN 75 4.795 0.647 -8.960 565 H ASN 76 H ASN 76 -1.184 2.005 -8.236 566 HA ASN 76 HA ASN 76 -1.605 4.537 -9.413 567 HB2 ASN 76 2HB ASN 76 -3.157 1.929 -9.620 568 HB3 ASN 76 3HB ASN 76 -3.661 3.376 -10.490 569 HD21 ASN 76 1HD2 ASN 76 -1.383 0.776 -10.387 570 HD22 ASN 76 2HD2 ASN 76 -0.565 1.148 -11.855 571 H MET 77 H MET 77 -3.193 2.948 -6.692 572 HA MET 77 HA MET 77 -5.448 4.684 -6.494 573 HB2 MET 77 2HB MET 77 -5.260 2.487 -5.278 574 HB3 MET 77 3HB MET 77 -4.027 3.195 -4.245 575 HG2 MET 77 2HG MET 77 -5.788 4.926 -3.557 576 HG3 MET 77 3HG MET 77 -6.967 3.893 -4.365 577 HE1 MET 77 3HE MET 77 -4.536 4.339 -1.351 578 HE2 MET 77 1HE MET 77 -3.761 2.979 -2.166 579 HE3 MET 77 2HE MET 77 -4.549 2.740 -0.606 580 H LEU 78 H LEU 78 -2.387 4.616 -4.641 581 HA LEU 78 HA LEU 78 -2.808 6.956 -3.164 582 HB2 LEU 78 2HB LEU 78 -0.255 5.468 -3.859 583 HB3 LEU 78 3HB LEU 78 -0.289 6.829 -2.746 584 HG LEU 78 HG LEU 78 -1.809 4.221 -2.327 585 HD11 LEU 78 1HD1 LEU 78 0.754 5.163 -1.021 586 HD12 LEU 78 2HD1 LEU 78 0.603 3.857 -2.200 587 HD13 LEU 78 3HD1 LEU 78 -0.150 3.700 -0.615 588 HD21 LEU 78 3HD2 LEU 78 -2.910 6.114 -1.235 589 HD22 LEU 78 1HD2 LEU 78 -1.394 6.575 -0.450 590 HD23 LEU 78 2HD2 LEU 78 -2.181 5.047 -0.040 591 H GLN 79 H GLN 79 -1.145 6.457 -6.271 592 HA GLN 79 HA GLN 79 -0.044 9.060 -6.530 593 HB2 GLN 79 2HB GLN 79 -0.657 6.916 -8.594 594 HB3 GLN 79 3HB GLN 79 0.096 8.452 -9.020 595 HG2 GLN 79 2HG GLN 79 1.964 7.945 -7.473 596 HG3 GLN 79 3HG GLN 79 1.235 6.380 -7.120 597 HE21 GLN 79 1HE2 GLN 79 3.828 7.127 -8.368 598 HE22 GLN 79 2HE2 GLN 79 3.880 6.260 -9.860 599 H PHE 80 H PHE 80 -3.182 7.707 -7.403 600 HA PHE 80 HA PHE 80 -4.153 9.747 -9.094 601 HB2 PHE 80 2HB PHE 80 -5.151 7.453 -8.820 602 HB3 PHE 80 3HB PHE 80 -5.737 7.916 -7.232 603 HD1 PHE 80 HD1 PHE 80 -6.179 8.388 -10.880 604 HD2 PHE 80 HD2 PHE 80 -7.750 9.318 -7.003 605 HE1 PHE 80 HE1 PHE 80 -8.272 9.181 -11.904 606 HE2 PHE 80 HE2 PHE 80 -9.831 10.111 -8.040 607 HZ PHE 80 HZ PHE 80 -10.096 10.040 -10.488 608 H TYR 81 H TYR 81 -4.046 9.439 -5.587 609 HA TYR 81 HA TYR 81 -5.559 11.944 -5.170 610 HB2 TYR 81 2HB TYR 81 -4.697 9.746 -3.226 611 HB3 TYR 81 3HB TYR 81 -5.582 11.198 -2.755 612 HD1 TYR 81 HD1 TYR 81 -7.952 11.492 -3.406 613 HD2 TYR 81 HD2 TYR 81 -5.844 7.935 -4.447 614 HE1 TYR 81 HE1 TYR 81 -10.068 10.401 -3.986 615 HE2 TYR 81 HE2 TYR 81 -7.960 6.840 -5.034 616 HH TYR 81 HH TYR 81 -10.856 8.554 -5.432 617 H ILE 82 H ILE 82 -2.336 10.701 -5.095 618 HA ILE 82 HA ILE 82 -1.242 13.025 -3.622 619 HB ILE 82 HB ILE 82 -0.531 10.111 -3.002 620 HG12 ILE 82 2HG1 ILE 82 -1.963 12.109 -1.188 621 HG13 ILE 82 3HG1 ILE 82 -2.757 10.809 -2.068 622 HG21 ILE 82 1HG2 ILE 82 0.915 11.011 -1.207 623 HG22 ILE 82 2HG2 ILE 82 0.538 12.654 -1.726 624 HG23 ILE 82 3HG2 ILE 82 1.427 11.573 -2.800 625 HD11 ILE 82 3HD1 ILE 82 -1.450 9.169 -0.796 626 HD12 ILE 82 1HD1 ILE 82 -2.454 10.196 0.224 627 HD13 ILE 82 2HD1 ILE 82 -0.718 10.488 0.125 628 HA PRO 83 HA PRO 83 1.269 12.304 -7.456 629 HB2 PRO 83 2HB PRO 83 2.170 14.898 -7.704 630 HB3 PRO 83 3HB PRO 83 0.559 14.380 -8.245 631 HG2 PRO 83 2HG PRO 83 1.324 15.766 -5.689 632 HG3 PRO 83 3HG PRO 83 -0.034 16.102 -6.788 633 HD2 PRO 83 2HD PRO 83 -0.363 14.672 -4.494 634 HD3 PRO 83 3HD PRO 83 -1.328 14.352 -5.953 635 H GLU 84 H GLU 84 2.144 13.214 -4.256 636 HA GLU 84 HA GLU 84 4.967 13.397 -4.492 637 HB2 GLU 84 2HB GLU 84 3.240 12.554 -2.120 638 HB3 GLU 84 3HB GLU 84 4.978 12.782 -2.022 639 HG2 GLU 84 2HG GLU 84 3.923 14.733 -1.120 640 HG3 GLU 84 3HG GLU 84 4.674 15.174 -2.655 641 H VAL 85 H VAL 85 2.759 10.657 -4.125 642 HA VAL 85 HA VAL 85 4.722 8.634 -3.708 643 HB VAL 85 HB VAL 85 1.869 8.408 -4.781 644 HG11 VAL 85 1HG1 VAL 85 1.991 5.998 -4.186 645 HG12 VAL 85 2HG1 VAL 85 3.699 6.188 -3.786 646 HG13 VAL 85 3HG1 VAL 85 3.152 6.419 -5.448 647 HG21 VAL 85 3HG2 VAL 85 2.947 7.959 -1.970 648 HG22 VAL 85 1HG2 VAL 85 1.280 7.696 -2.486 649 HG23 VAL 85 2HG2 VAL 85 1.957 9.323 -2.494 650 H GLU 86 H GLU 86 6.196 8.084 -5.136 651 HA GLU 86 HA GLU 86 5.812 8.301 -8.042 652 HB2 GLU 86 2HB GLU 86 8.333 7.695 -6.423 653 HB3 GLU 86 3HB GLU 86 8.256 7.969 -8.164 654 HG2 GLU 86 2HG GLU 86 7.503 10.287 -7.781 655 HG3 GLU 86 3HG GLU 86 7.551 10.021 -6.037 656 H GLY 87 H GLY 87 6.109 5.974 -5.458 657 HA2 GLY 87 2HA GLY 87 5.239 3.774 -7.046 658 HA3 GLY 87 3HA GLY 87 6.974 3.675 -6.756 659 H VAL 88 H VAL 88 5.810 1.627 -5.807 660 HA VAL 88 HA VAL 88 5.641 1.972 -2.862 661 HB VAL 88 HB VAL 88 3.867 0.145 -4.582 662 HG11 VAL 88 1HG1 VAL 88 4.509 -1.049 -2.529 663 HG12 VAL 88 2HG1 VAL 88 2.797 -0.620 -2.487 664 HG13 VAL 88 3HG1 VAL 88 3.966 0.314 -1.547 665 HG21 VAL 88 3HG2 VAL 88 1.960 1.425 -3.651 666 HG22 VAL 88 1HG2 VAL 88 3.067 2.472 -4.546 667 HG23 VAL 88 2HG2 VAL 88 3.088 2.469 -2.781 668 H GLU 89 H GLU 89 6.873 0.461 -1.732 669 HA GLU 89 HA GLU 89 8.229 -1.708 -3.247 670 HB2 GLU 89 2HB GLU 89 9.815 0.121 -2.684 671 HB3 GLU 89 3HB GLU 89 9.397 -0.020 -0.981 672 HG2 GLU 89 2HG GLU 89 10.367 -2.284 -0.905 673 HG3 GLU 89 3HG GLU 89 10.718 -2.210 -2.632 674 H GLN 90 H GLN 90 8.286 -3.673 -2.298 675 HA GLN 90 HA GLN 90 6.708 -4.224 0.081 676 HB2 GLN 90 2HB GLN 90 6.465 -5.736 -1.807 677 HB3 GLN 90 3HB GLN 90 8.206 -5.978 -1.914 678 HG2 GLN 90 2HG GLN 90 8.145 -7.128 0.307 679 HG3 GLN 90 3HG GLN 90 6.390 -6.945 0.319 680 HE21 GLN 90 1HE2 GLN 90 6.107 -9.202 0.395 681 HE22 GLN 90 2HE2 GLN 90 6.390 -10.208 -0.977 682 H VAL 91 H VAL 91 7.725 -3.824 1.990 683 HA VAL 91 HA VAL 91 10.441 -4.944 2.431 684 HB VAL 91 HB VAL 91 10.528 -3.370 4.444 685 HG11 VAL 91 1HG1 VAL 91 11.213 -1.382 3.128 686 HG12 VAL 91 2HG1 VAL 91 10.411 -2.049 1.702 687 HG13 VAL 91 3HG1 VAL 91 11.806 -2.876 2.399 688 HG21 VAL 91 3HG2 VAL 91 8.161 -2.030 3.082 689 HG22 VAL 91 1HG2 VAL 91 9.097 -1.337 4.412 690 HG23 VAL 91 2HG2 VAL 91 8.155 -2.807 4.666 691 H MET 92 H MET 92 10.188 -6.897 3.332 692 HA MET 92 HA MET 92 7.881 -7.532 5.023 693 HB2 MET 92 2HB MET 92 10.172 -9.287 4.022 694 HB3 MET 92 3HB MET 92 8.796 -9.867 4.956 695 HG2 MET 92 2HG MET 92 7.273 -9.170 3.136 696 HG3 MET 92 3HG MET 92 8.652 -8.595 2.204 697 HE1 MET 92 3HE MET 92 7.825 -13.051 3.127 698 HE2 MET 92 1HE MET 92 6.726 -11.750 3.575 699 HE3 MET 92 2HE MET 92 8.279 -11.909 4.396 700 H ASP 93 H ASP 93 8.300 -6.194 6.740 701 HA ASP 93 HA ASP 93 10.729 -6.143 8.258 702 HB2 ASP 93 2HB ASP 93 9.350 -4.157 8.199 703 HB3 ASP 93 3HB ASP 93 7.925 -5.045 8.719 704 H ASP 94 H ASP 94 11.134 -8.320 8.799 705 HA ASP 94 HA ASP 94 10.148 -9.195 11.317 706 HB2 ASP 94 2HB ASP 94 9.132 -11.369 10.646 707 HB3 ASP 94 3HB ASP 94 8.205 -9.998 10.056 708 H GLU 95 H GLU 95 11.117 -11.195 12.014 709 HA GLU 95 HA GLU 95 13.920 -11.242 11.384 710 HB2 GLU 95 2HB GLU 95 12.255 -12.823 13.380 711 HB3 GLU 95 3HB GLU 95 13.998 -12.967 13.242 712 HG2 GLU 95 2HG GLU 95 13.421 -11.549 15.122 713 HG3 GLU 95 3HG GLU 95 14.276 -10.618 13.896 714 H SER 96 H SER 96 11.196 -13.052 10.339 715 HA SER 96 HA SER 96 10.896 -14.579 8.722 716 HB2 SER 96 2HB SER 96 13.858 -14.227 8.128 717 HB3 SER 96 3HB SER 96 12.651 -14.913 7.034 718 HG SER 96 HG SER 96 12.102 -12.384 8.066 719 H ASP 97 H ASP 97 11.988 -15.395 11.476 720 HA ASP 97 HA ASP 97 13.277 -17.944 11.077 721 HB2 ASP 97 2HB ASP 97 11.923 -16.776 13.559 722 HB3 ASP 97 3HB ASP 97 12.853 -18.275 13.535 Start of MODEL 6 1 H1 MET 1 1H MET 1 19.113 26.594 -1.451 2 H2 MET 1 2H MET 1 17.734 26.101 -0.619 3 H3 MET 1 3H MET 1 18.021 25.525 -2.180 4 HA MET 1 HA MET 1 18.506 23.845 -0.553 5 HB2 MET 1 2HB MET 1 21.060 24.940 -1.819 6 HB3 MET 1 3HB MET 1 20.814 23.286 -1.265 7 HG2 MET 1 2HG MET 1 20.614 23.346 -3.672 8 HG3 MET 1 3HG MET 1 19.024 23.019 -2.980 9 HE1 MET 1 3HE MET 1 18.044 25.139 -6.136 10 HE2 MET 1 1HE MET 1 17.694 23.680 -5.206 11 HE3 MET 1 2HE MET 1 19.260 23.870 -5.999 12 H GLY 2 H GLY 2 20.971 26.447 -0.232 13 HA2 GLY 2 2HA GLY 2 21.831 27.548 1.578 14 HA3 GLY 2 3HA GLY 2 20.446 26.989 2.507 15 H HIS 3 H HIS 3 21.539 26.482 4.339 16 HA HIS 3 HA HIS 3 23.383 24.167 4.258 17 HB2 HIS 3 2HB HIS 3 24.517 25.105 6.285 18 HB3 HIS 3 3HB HIS 3 24.720 26.118 4.866 19 HD1 HIS 3 HD1 HIS 3 23.129 28.329 4.828 20 HD2 HIS 3 HD2 HIS 3 23.563 26.449 8.504 21 HE1 HIS 3 HE1 HIS 3 22.390 30.005 6.536 22 HE2 HIS 3 HE2 HIS 3 22.512 28.781 8.731 23 H HIS 4 H HIS 4 22.140 22.483 4.912 24 HA HIS 4 HA HIS 4 20.220 22.933 7.138 25 HB2 HIS 4 2HB HIS 4 18.846 21.105 6.304 26 HB3 HIS 4 3HB HIS 4 19.063 22.324 5.066 27 HD1 HIS 4 HD1 HIS 4 19.234 18.751 5.616 28 HD2 HIS 4 HD2 HIS 4 20.975 21.448 2.975 29 HE1 HIS 4 HE1 HIS 4 20.066 17.377 3.689 30 HE2 HIS 4 HE2 HIS 4 21.204 19.012 2.174 31 H HIS 5 H HIS 5 21.542 22.579 8.812 32 HA HIS 5 HA HIS 5 22.779 20.031 9.374 33 HB2 HIS 5 2HB HIS 5 23.558 22.153 10.431 34 HB3 HIS 5 3HB HIS 5 22.006 22.329 11.237 35 HD1 HIS 5 HD1 HIS 5 22.567 22.028 13.654 36 HD2 HIS 5 HD2 HIS 5 24.419 19.149 11.288 37 HE1 HIS 5 HE1 HIS 5 23.693 20.456 15.254 38 HE2 HIS 5 HE2 HIS 5 24.959 18.851 13.791 39 H HIS 6 H HIS 6 19.608 20.964 9.056 40 HA HIS 6 HA HIS 6 18.540 18.817 10.768 41 HB2 HIS 6 2HB HIS 6 16.296 19.765 10.061 42 HB3 HIS 6 3HB HIS 6 17.289 20.852 11.015 43 HD1 HIS 6 HD1 HIS 6 16.069 20.357 7.452 44 HD2 HIS 6 HD2 HIS 6 17.837 23.294 9.803 45 HE1 HIS 6 HE1 HIS 6 15.947 22.470 6.104 46 HE2 HIS 6 HE2 HIS 6 17.125 24.200 7.500 47 H HIS 7 H HIS 7 18.306 16.880 9.890 48 HA HIS 7 HA HIS 7 18.279 15.126 8.499 49 HB2 HIS 7 2HB HIS 7 16.183 16.916 7.253 50 HB3 HIS 7 3HB HIS 7 16.561 15.371 6.503 51 HD1 HIS 7 HD1 HIS 7 14.602 16.858 9.221 52 HD2 HIS 7 HD2 HIS 7 16.029 13.088 8.222 53 HE1 HIS 7 HE1 HIS 7 13.268 15.241 10.600 54 HE2 HIS 7 HE2 HIS 7 14.004 12.969 9.818 55 H HIS 8 H HIS 8 20.573 15.893 8.065 56 HA HIS 8 HA HIS 8 21.273 16.350 5.301 57 HB2 HIS 8 2HB HIS 8 22.851 16.848 7.176 58 HB3 HIS 8 3HB HIS 8 22.905 15.143 7.597 59 HD1 HIS 8 HD1 HIS 8 24.519 13.676 6.293 60 HD2 HIS 8 HD2 HIS 8 24.239 17.520 4.750 61 HE1 HIS 8 HE1 HIS 8 26.392 13.874 4.642 62 HE2 HIS 8 HE2 HIS 8 26.052 16.123 3.560 63 H SER 9 H SER 9 21.149 13.568 7.498 64 HA SER 9 HA SER 9 21.530 11.487 5.593 65 HB2 SER 9 2HB SER 9 20.179 11.344 8.331 66 HB3 SER 9 3HB SER 9 20.905 10.001 7.442 67 HG SER 9 HG SER 9 22.074 11.490 9.196 68 H HIS 10 H HIS 10 19.998 10.084 4.702 69 HA HIS 10 HA HIS 10 17.134 10.781 4.849 70 HB2 HIS 10 2HB HIS 10 18.749 10.345 2.295 71 HB3 HIS 10 3HB HIS 10 16.988 10.330 2.345 72 HD1 HIS 10 HD1 HIS 10 19.439 12.516 1.279 73 HD2 HIS 10 HD2 HIS 10 16.240 12.994 3.876 74 HE1 HIS 10 HE1 HIS 10 18.956 14.977 1.315 75 HE2 HIS 10 HE2 HIS 10 16.890 15.198 2.717 76 H MET 11 H MET 11 16.817 9.032 6.217 77 HA MET 11 HA MET 11 16.405 6.498 4.779 78 HB2 MET 11 2HB MET 11 17.142 5.148 6.770 79 HB3 MET 11 3HB MET 11 18.458 6.017 5.997 80 HG2 MET 11 2HG MET 11 18.427 7.696 7.766 81 HG3 MET 11 3HG MET 11 17.057 6.892 8.531 82 HE1 MET 11 3HE MET 11 18.382 6.824 10.849 83 HE2 MET 11 1HE MET 11 19.758 7.632 10.093 84 HE3 MET 11 2HE MET 11 20.003 6.153 11.019 85 H GLY 12 H GLY 12 14.330 5.912 4.982 86 HA2 GLY 12 2HA GLY 12 12.093 6.056 5.513 87 HA3 GLY 12 3HA GLY 12 12.586 6.386 7.176 88 H SER 13 H SER 13 13.009 8.088 4.080 89 HA SER 13 HA SER 13 13.062 10.665 5.276 90 HB2 SER 13 2HB SER 13 12.948 9.829 2.357 91 HB3 SER 13 3HB SER 13 13.347 11.449 2.944 92 HG SER 13 HG SER 13 14.813 9.060 3.132 93 H GLU 14 H GLU 14 11.079 10.813 6.316 94 HA GLU 14 HA GLU 14 8.703 11.472 4.669 95 HB2 GLU 14 2HB GLU 14 8.840 10.479 7.570 96 HB3 GLU 14 3HB GLU 14 7.362 10.860 6.683 97 HG2 GLU 14 2HG GLU 14 7.734 9.010 5.162 98 HG3 GLU 14 3HG GLU 14 9.315 8.691 5.858 99 H GLU 15 H GLU 15 9.075 13.696 4.438 100 HA GLU 15 HA GLU 15 10.005 15.300 6.686 101 HB2 GLU 15 2HB GLU 15 10.201 17.154 5.201 102 HB3 GLU 15 3HB GLU 15 10.750 15.763 4.281 103 HG2 GLU 15 2HG GLU 15 7.971 16.970 4.020 104 HG3 GLU 15 3HG GLU 15 9.335 17.450 3.021 105 H ASP 16 H ASP 16 7.024 14.648 5.002 106 HA ASP 16 HA ASP 16 5.566 16.708 6.560 107 HB2 ASP 16 2HB ASP 16 5.726 17.118 4.067 108 HB3 ASP 16 3HB ASP 16 4.824 15.629 3.799 109 H ASP 17 H ASP 17 4.399 15.832 8.074 110 HA ASP 17 HA ASP 17 3.708 13.104 8.315 111 HB2 ASP 17 2HB ASP 17 2.510 15.474 9.807 112 HB3 ASP 17 3HB ASP 17 2.455 13.791 10.315 113 H GLY 18 H GLY 18 1.998 15.864 6.969 114 HA2 GLY 18 2HA GLY 18 -0.659 14.947 7.153 115 HA3 GLY 18 3HA GLY 18 -0.058 16.132 6.009 116 H VAL 19 H VAL 19 1.696 14.673 4.505 117 HA VAL 19 HA VAL 19 0.101 13.243 2.670 118 HB VAL 19 HB VAL 19 3.148 13.271 2.976 119 HG11 VAL 19 1HG1 VAL 19 1.477 12.292 0.623 120 HG12 VAL 19 2HG1 VAL 19 2.460 11.283 1.686 121 HG13 VAL 19 3HG1 VAL 19 3.236 12.461 0.627 122 HG21 VAL 19 3HG2 VAL 19 2.169 15.504 2.518 123 HG22 VAL 19 1HG2 VAL 19 1.358 14.856 1.089 124 HG23 VAL 19 2HG2 VAL 19 3.121 14.927 1.149 125 H VAL 20 H VAL 20 2.475 12.175 5.076 126 HA VAL 20 HA VAL 20 2.440 9.412 4.731 127 HB VAL 20 HB VAL 20 2.848 11.028 7.297 128 HG11 VAL 20 1HG1 VAL 20 2.368 8.712 7.910 129 HG12 VAL 20 2HG1 VAL 20 4.080 9.044 8.171 130 HG13 VAL 20 3HG1 VAL 20 3.565 8.122 6.757 131 HG21 VAL 20 3HG2 VAL 20 4.426 11.619 5.493 132 HG22 VAL 20 1HG2 VAL 20 4.908 9.925 5.343 133 HG23 VAL 20 2HG2 VAL 20 5.257 10.822 6.829 134 H ALA 21 H ALA 21 0.356 11.466 6.714 135 HA ALA 21 HA ALA 21 -1.016 9.444 8.140 136 HB1 ALA 21 3HB ALA 21 -0.836 11.759 8.963 137 HB2 ALA 21 1HB ALA 21 -2.526 11.257 8.860 138 HB3 ALA 21 2HB ALA 21 -1.843 12.327 7.632 139 H MET 22 H MET 22 -1.813 11.278 5.174 140 HA MET 22 HA MET 22 -4.404 10.022 4.936 141 HB2 MET 22 2HB MET 22 -4.784 11.298 2.971 142 HB3 MET 22 3HB MET 22 -3.984 12.358 4.116 143 HG2 MET 22 2HG MET 22 -1.915 12.229 2.884 144 HG3 MET 22 3HG MET 22 -2.564 10.972 1.831 145 HE1 MET 22 3HE MET 22 -5.605 12.190 1.415 146 HE2 MET 22 1HE MET 22 -4.651 11.405 0.159 147 HE3 MET 22 2HE MET 22 -5.346 12.999 -0.131 148 H ILE 23 H ILE 23 -1.174 9.297 3.752 149 HA ILE 23 HA ILE 23 -1.902 7.278 1.871 150 HB ILE 23 HB ILE 23 0.622 7.535 3.589 151 HG12 ILE 23 2HG1 ILE 23 0.170 8.060 0.613 152 HG13 ILE 23 3HG1 ILE 23 0.348 9.296 1.848 153 HG21 ILE 23 1HG2 ILE 23 0.305 5.158 3.065 154 HG22 ILE 23 2HG2 ILE 23 1.652 5.798 2.125 155 HG23 ILE 23 3HG2 ILE 23 0.087 5.537 1.353 156 HD11 ILE 23 3HD1 ILE 23 2.655 8.558 2.232 157 HD12 ILE 23 1HD1 ILE 23 2.367 9.058 0.565 158 HD13 ILE 23 2HD1 ILE 23 2.464 7.344 0.962 159 H LYS 24 H LYS 24 -1.083 7.187 5.354 160 HA LYS 24 HA LYS 24 -1.491 4.512 5.944 161 HB2 LYS 24 2HB LYS 24 -1.969 6.970 7.670 162 HB3 LYS 24 3HB LYS 24 -2.109 5.331 8.300 163 HG2 LYS 24 2HG LYS 24 0.273 4.933 7.746 164 HG3 LYS 24 3HG LYS 24 0.408 6.607 7.179 165 HD2 LYS 24 2HD LYS 24 -0.259 7.400 9.461 166 HD3 LYS 24 3HD LYS 24 -0.323 5.723 10.009 167 HE2 LYS 24 2HE LYS 24 2.090 5.495 9.554 168 HE3 LYS 24 3HE LYS 24 2.139 7.172 9.000 169 HZ1 LYS 24 3HZ LYS 24 1.552 7.910 11.190 170 HZ2 LYS 24 1HZ LYS 24 2.898 6.896 11.298 171 HZ3 LYS 24 2HZ LYS 24 1.370 6.325 11.740 172 H GLU 25 H GLU 25 -3.913 7.140 5.747 173 HA GLU 25 HA GLU 25 -6.026 5.506 6.805 174 HB2 GLU 25 2HB GLU 25 -7.434 7.358 6.723 175 HB3 GLU 25 3HB GLU 25 -5.859 8.114 6.912 176 HG2 GLU 25 2HG GLU 25 -5.836 8.620 4.484 177 HG3 GLU 25 3HG GLU 25 -7.425 7.861 4.325 178 H LEU 26 H LEU 26 -5.067 6.521 3.469 179 HA LEU 26 HA LEU 26 -7.279 5.386 2.098 180 HB2 LEU 26 2HB LEU 26 -4.433 5.894 1.159 181 HB3 LEU 26 3HB LEU 26 -5.695 5.306 0.088 182 HG LEU 26 HG LEU 26 -5.670 8.006 1.500 183 HD11 LEU 26 1HD1 LEU 26 -5.416 8.946 -0.742 184 HD12 LEU 26 2HD1 LEU 26 -5.371 7.324 -1.440 185 HD13 LEU 26 3HD1 LEU 26 -4.080 7.860 -0.362 186 HD21 LEU 26 3HD2 LEU 26 -7.971 7.173 1.308 187 HD22 LEU 26 1HD2 LEU 26 -7.740 6.887 -0.420 188 HD23 LEU 26 2HD2 LEU 26 -7.695 8.532 0.223 189 H LEU 27 H LEU 27 -4.212 4.008 3.160 190 HA LEU 27 HA LEU 27 -4.513 1.392 2.106 191 HB2 LEU 27 2HB LEU 27 -3.055 2.313 4.612 192 HB3 LEU 27 3HB LEU 27 -2.860 0.735 3.860 193 HG LEU 27 HG LEU 27 -2.130 3.362 2.512 194 HD11 LEU 27 1HD1 LEU 27 -0.311 1.396 3.913 195 HD12 LEU 27 2HD1 LEU 27 -0.726 3.020 4.469 196 HD13 LEU 27 3HD1 LEU 27 0.197 2.811 2.983 197 HD21 LEU 27 3HD2 LEU 27 -0.929 1.963 0.905 198 HD22 LEU 27 1HD2 LEU 27 -2.647 1.573 0.924 199 HD23 LEU 27 2HD2 LEU 27 -1.492 0.505 1.729 200 H ASP 28 H ASP 28 -5.286 2.800 5.294 201 HA ASP 28 HA ASP 28 -6.010 0.333 6.502 202 HB2 ASP 28 2HB ASP 28 -5.076 2.278 7.753 203 HB3 ASP 28 3HB ASP 28 -6.567 3.167 7.466 204 H THR 29 H THR 29 -7.870 2.769 4.831 205 HA THR 29 HA THR 29 -10.445 1.782 5.794 206 HB THR 29 HB THR 29 -11.388 3.702 4.482 207 HG1 THR 29 HG1 THR 29 -9.068 4.997 4.015 208 HG21 THR 29 3HG2 THR 29 -10.436 5.524 5.851 209 HG22 THR 29 1HG2 THR 29 -9.083 4.481 6.301 210 HG23 THR 29 2HG2 THR 29 -10.720 4.084 6.831 211 H ARG 30 H ARG 30 -8.514 1.749 2.812 212 HA ARG 30 HA ARG 30 -10.705 0.391 1.335 213 HB2 ARG 30 2HB ARG 30 -8.153 1.630 0.225 214 HB3 ARG 30 3HB ARG 30 -9.491 0.973 -0.717 215 HG2 ARG 30 2HG ARG 30 -10.960 2.764 0.151 216 HG3 ARG 30 3HG ARG 30 -9.603 3.429 1.066 217 HD2 ARG 30 2HD ARG 30 -9.906 4.696 -0.986 218 HD3 ARG 30 3HD ARG 30 -8.384 3.808 -1.069 219 HE ARG 30 HE ARG 30 -9.866 2.102 -2.368 220 HH11 ARG 30 1HH1 ARG 30 -10.083 5.598 -2.630 221 HH12 ARG 30 2HH1 ARG 30 -10.661 5.556 -4.262 222 HH21 ARG 30 1HH2 ARG 30 -10.655 2.062 -4.491 223 HH22 ARG 30 2HH2 ARG 30 -10.988 3.548 -5.325 224 H ILE 31 H ILE 31 -7.155 0.172 1.827 225 HA ILE 31 HA ILE 31 -6.964 -2.125 0.089 226 HB ILE 31 HB ILE 31 -4.860 -0.713 1.779 227 HG12 ILE 31 2HG1 ILE 31 -5.746 0.705 -0.031 228 HG13 ILE 31 3HG1 ILE 31 -4.079 0.259 -0.367 229 HG21 ILE 31 1HG2 ILE 31 -3.143 -1.920 0.461 230 HG22 ILE 31 2HG2 ILE 31 -4.417 -2.864 -0.317 231 HG23 ILE 31 3HG2 ILE 31 -4.139 -3.022 1.417 232 HD11 ILE 31 3HD1 ILE 31 -4.867 -1.424 -1.989 233 HD12 ILE 31 1HD1 ILE 31 -5.422 0.203 -2.378 234 HD13 ILE 31 2HD1 ILE 31 -6.535 -0.952 -1.651 235 H ARG 32 H ARG 32 -6.054 -1.590 3.541 236 HA ARG 32 HA ARG 32 -5.390 -4.136 4.258 237 HB2 ARG 32 2HB ARG 32 -6.716 -2.101 6.095 238 HB3 ARG 32 3HB ARG 32 -5.879 -3.557 6.635 239 HG2 ARG 32 2HG ARG 32 -3.800 -2.662 5.537 240 HG3 ARG 32 3HG ARG 32 -4.665 -1.152 5.244 241 HD2 ARG 32 2HD ARG 32 -3.342 -0.888 7.237 242 HD3 ARG 32 3HD ARG 32 -5.039 -0.980 7.730 243 HE ARG 32 HE ARG 32 -3.536 -3.476 7.748 244 HH11 ARG 32 1HH1 ARG 32 -4.710 -0.794 9.739 245 HH12 ARG 32 2HH1 ARG 32 -4.528 -1.687 11.216 246 HH21 ARG 32 1HH2 ARG 32 -3.375 -4.614 9.648 247 HH22 ARG 32 2HH2 ARG 32 -3.766 -3.863 11.164 248 HA PRO 33 HA PRO 33 -10.209 -5.058 5.554 249 HB2 PRO 33 2HB PRO 33 -11.366 -3.374 3.302 250 HB3 PRO 33 3HB PRO 33 -12.091 -3.816 4.868 251 HG2 PRO 33 2HG PRO 33 -11.099 -1.396 4.563 252 HG3 PRO 33 3HG PRO 33 -10.783 -2.296 6.068 253 HD2 PRO 33 2HD PRO 33 -8.930 -1.831 3.734 254 HD3 PRO 33 3HD PRO 33 -8.578 -1.818 5.472 255 H THR 34 H THR 34 -9.634 -4.267 2.099 256 HA THR 34 HA THR 34 -10.878 -6.512 0.952 257 HB THR 34 HB THR 34 -8.598 -4.855 -0.230 258 HG1 THR 34 HG1 THR 34 -9.985 -3.283 -0.340 259 HG21 THR 34 3HG2 THR 34 -9.126 -6.854 -1.603 260 HG22 THR 34 1HG2 THR 34 -9.627 -5.370 -2.420 261 HG23 THR 34 2HG2 THR 34 -10.829 -6.389 -1.628 262 H VAL 35 H VAL 35 -7.493 -5.920 1.758 263 HA VAL 35 HA VAL 35 -6.387 -8.318 0.708 264 HB VAL 35 HB VAL 35 -5.224 -6.316 2.720 265 HG11 VAL 35 1HG1 VAL 35 -4.004 -8.493 2.769 266 HG12 VAL 35 2HG1 VAL 35 -3.005 -7.184 2.142 267 HG13 VAL 35 3HG1 VAL 35 -3.722 -8.359 1.035 268 HG21 VAL 35 3HG2 VAL 35 -5.823 -5.306 0.536 269 HG22 VAL 35 1HG2 VAL 35 -4.849 -6.517 -0.297 270 HG23 VAL 35 2HG2 VAL 35 -4.074 -5.334 0.762 271 H GLN 36 H GLN 36 -7.642 -7.387 3.887 272 HA GLN 36 HA GLN 36 -6.855 -9.799 5.265 273 HB2 GLN 36 2HB GLN 36 -8.839 -7.620 6.033 274 HB3 GLN 36 3HB GLN 36 -8.440 -8.982 7.078 275 HG2 GLN 36 2HG GLN 36 -6.130 -8.237 7.255 276 HG3 GLN 36 3HG GLN 36 -6.414 -6.954 6.080 277 HE21 GLN 36 1HE2 GLN 36 -5.851 -5.277 7.510 278 HE22 GLN 36 2HE2 GLN 36 -6.812 -4.851 8.878 279 H GLU 37 H GLU 37 -9.672 -8.812 3.384 280 HA GLU 37 HA GLU 37 -11.399 -10.972 4.039 281 HB2 GLU 37 2HB GLU 37 -11.174 -9.353 1.459 282 HB3 GLU 37 3HB GLU 37 -12.467 -10.500 1.788 283 HG2 GLU 37 2HG GLU 37 -11.918 -8.019 3.442 284 HG3 GLU 37 3HG GLU 37 -13.092 -8.103 2.133 285 H ASP 38 H ASP 38 -8.723 -10.574 1.789 286 HA ASP 38 HA ASP 38 -8.957 -13.185 0.557 287 HB2 ASP 38 2HB ASP 38 -8.005 -11.140 -0.596 288 HB3 ASP 38 3HB ASP 38 -6.627 -11.206 0.495 289 H GLY 39 H GLY 39 -7.358 -11.800 3.343 290 HA2 GLY 39 2HA GLY 39 -7.023 -13.468 5.154 291 HA3 GLY 39 3HA GLY 39 -6.116 -14.433 3.998 292 H GLY 40 H GLY 40 -5.011 -11.732 2.942 293 HA2 GLY 40 2HA GLY 40 -2.608 -11.692 4.595 294 HA3 GLY 40 3HA GLY 40 -2.893 -10.812 3.100 295 H ASP 41 H ASP 41 -1.775 -9.091 4.315 296 HA ASP 41 HA ASP 41 -3.598 -7.076 5.122 297 HB2 ASP 41 2HB ASP 41 -3.490 -8.318 7.302 298 HB3 ASP 41 3HB ASP 41 -1.741 -8.115 7.324 299 H VAL 42 H VAL 42 -2.459 -4.994 5.402 300 HA VAL 42 HA VAL 42 0.337 -5.006 4.425 301 HB VAL 42 HB VAL 42 -0.001 -3.022 3.057 302 HG11 VAL 42 1HG1 VAL 42 -0.434 -5.187 1.969 303 HG12 VAL 42 2HG1 VAL 42 -1.416 -3.907 1.254 304 HG13 VAL 42 3HG1 VAL 42 -2.147 -5.061 2.375 305 HG21 VAL 42 3HG2 VAL 42 -2.937 -3.042 3.822 306 HG22 VAL 42 1HG2 VAL 42 -2.180 -1.969 2.638 307 HG23 VAL 42 2HG2 VAL 42 -1.743 -1.852 4.344 308 H ILE 43 H ILE 43 1.658 -4.103 5.811 309 HA ILE 43 HA ILE 43 0.662 -2.409 8.023 310 HB ILE 43 HB ILE 43 3.161 -4.178 7.868 311 HG12 ILE 43 2HG1 ILE 43 1.983 -5.366 9.888 312 HG13 ILE 43 3HG1 ILE 43 0.521 -4.558 9.346 313 HG21 ILE 43 1HG2 ILE 43 3.585 -3.605 10.230 314 HG22 ILE 43 2HG2 ILE 43 2.230 -2.477 10.201 315 HG23 ILE 43 3HG2 ILE 43 3.649 -2.175 9.196 316 HD11 ILE 43 3HD1 ILE 43 0.682 -5.735 7.203 317 HD12 ILE 43 1HD1 ILE 43 0.635 -6.855 8.565 318 HD13 ILE 43 2HD1 ILE 43 2.163 -6.524 7.749 319 H TYR 44 H TYR 44 1.165 -0.270 7.772 320 HA TYR 44 HA TYR 44 2.916 0.676 5.736 321 HB2 TYR 44 2HB TYR 44 0.948 1.985 6.537 322 HB3 TYR 44 3HB TYR 44 1.739 2.226 8.090 323 HD1 TYR 44 HD2 TYR 44 1.995 3.010 4.446 324 HD2 TYR 44 HD1 TYR 44 3.357 4.044 8.367 325 HE1 TYR 44 HE2 TYR 44 3.033 5.048 3.559 326 HE2 TYR 44 HE1 TYR 44 4.393 6.069 7.468 327 HH TYR 44 HH TYR 44 5.184 6.973 5.415 328 H LYS 45 H LYS 45 5.054 0.555 5.832 329 HA LYS 45 HA LYS 45 6.490 0.323 8.383 330 HB2 LYS 45 2HB LYS 45 7.311 -0.220 5.502 331 HB3 LYS 45 3HB LYS 45 8.388 -0.410 6.878 332 HG2 LYS 45 2HG LYS 45 5.770 -1.910 6.828 333 HG3 LYS 45 3HG LYS 45 7.125 -2.486 5.862 334 HD2 LYS 45 2HD LYS 45 7.282 -3.699 7.882 335 HD3 LYS 45 3HD LYS 45 8.510 -2.447 8.023 336 HE2 LYS 45 2HE LYS 45 6.843 -1.133 9.421 337 HE3 LYS 45 3HE LYS 45 5.812 -2.566 9.398 338 HZ1 LYS 45 3HZ LYS 45 8.596 -2.480 10.442 339 HZ2 LYS 45 1HZ LYS 45 7.559 -3.817 10.475 340 HZ3 LYS 45 2HZ LYS 45 7.199 -2.441 11.393 341 H GLY 46 H GLY 46 6.609 2.223 5.331 342 HA2 GLY 46 2HA GLY 46 7.706 4.542 6.625 343 HA3 GLY 46 3HA GLY 46 8.957 3.638 5.777 344 H PHE 47 H PHE 47 8.929 5.907 4.833 345 HA PHE 47 HA PHE 47 7.858 5.751 2.150 346 HB2 PHE 47 2HB PHE 47 5.983 6.790 3.420 347 HB3 PHE 47 3HB PHE 47 7.064 8.010 4.052 348 HD1 PHE 47 HD2 PHE 47 5.671 6.710 0.828 349 HD2 PHE 47 HD1 PHE 47 7.203 10.102 2.945 350 HE1 PHE 47 HE2 PHE 47 4.982 8.183 -1.014 351 HE2 PHE 47 HE1 PHE 47 6.503 11.560 1.097 352 HZ PHE 47 HZ PHE 47 5.391 10.608 -0.881 353 H GLU 48 H GLU 48 9.627 6.320 0.938 354 HA GLU 48 HA GLU 48 11.372 8.530 1.897 355 HB2 GLU 48 2HB GLU 48 12.288 6.083 0.319 356 HB3 GLU 48 3HB GLU 48 13.303 7.451 0.780 357 HG2 GLU 48 2HG GLU 48 12.828 6.859 3.196 358 HG3 GLU 48 3HG GLU 48 12.046 5.389 2.613 359 H ASP 49 H ASP 49 10.923 10.227 0.663 360 HA ASP 49 HA ASP 49 10.764 11.643 -1.073 361 HB2 ASP 49 2HB ASP 49 11.655 9.293 -2.802 362 HB3 ASP 49 3HB ASP 49 11.468 10.940 -3.394 363 H GLY 50 H GLY 50 9.687 8.652 -2.704 364 HA2 GLY 50 2HA GLY 50 6.866 9.421 -2.386 365 HA3 GLY 50 3HA GLY 50 7.495 9.217 -4.013 366 H ILE 51 H ILE 51 9.094 7.064 -2.004 367 HA ILE 51 HA ILE 51 7.540 4.840 -3.107 368 HB ILE 51 HB ILE 51 10.209 4.773 -1.631 369 HG12 ILE 51 2HG1 ILE 51 10.486 6.008 -3.733 370 HG13 ILE 51 3HG1 ILE 51 11.250 4.434 -3.880 371 HG21 ILE 51 1HG2 ILE 51 10.422 2.477 -2.552 372 HG22 ILE 51 2HG2 ILE 51 8.800 2.609 -3.236 373 HG23 ILE 51 3HG2 ILE 51 9.023 2.633 -1.485 374 HD11 ILE 51 3HD1 ILE 51 10.123 5.053 -5.914 375 HD12 ILE 51 1HD1 ILE 51 8.593 5.245 -5.062 376 HD13 ILE 51 2HD1 ILE 51 9.334 3.644 -5.207 377 H VAL 52 H VAL 52 5.883 4.331 -1.904 378 HA VAL 52 HA VAL 52 5.735 4.572 0.971 379 HB VAL 52 HB VAL 52 3.748 3.260 -0.952 380 HG11 VAL 52 1HG1 VAL 52 3.351 4.258 1.890 381 HG12 VAL 52 2HG1 VAL 52 3.404 2.567 1.385 382 HG13 VAL 52 3HG1 VAL 52 2.083 3.604 0.844 383 HG21 VAL 52 3HG2 VAL 52 2.497 5.392 -0.893 384 HG22 VAL 52 1HG2 VAL 52 4.110 5.609 -1.584 385 HG23 VAL 52 2HG2 VAL 52 3.782 6.118 0.075 386 H GLN 53 H GLN 53 6.884 3.103 2.100 387 HA GLN 53 HA GLN 53 7.422 0.416 1.111 388 HB2 GLN 53 2HB GLN 53 8.298 1.926 3.609 389 HB3 GLN 53 3HB GLN 53 8.798 0.275 3.248 390 HG2 GLN 53 2HG GLN 53 9.928 1.025 1.212 391 HG3 GLN 53 3HG GLN 53 9.351 2.672 1.474 392 HE21 GLN 53 1HE2 GLN 53 11.484 3.428 1.461 393 HE22 GLN 53 2HE2 GLN 53 12.543 3.210 2.811 394 H LEU 54 H LEU 54 6.053 -1.184 1.490 395 HA LEU 54 HA LEU 54 4.323 -1.223 3.890 396 HB2 LEU 54 2HB LEU 54 3.627 -2.140 1.065 397 HB3 LEU 54 3HB LEU 54 2.604 -2.373 2.478 398 HG LEU 54 HG LEU 54 3.341 0.299 1.212 399 HD11 LEU 54 1HD1 LEU 54 0.959 0.441 0.666 400 HD12 LEU 54 2HD1 LEU 54 0.691 -1.166 1.350 401 HD13 LEU 54 3HD1 LEU 54 1.705 -0.969 -0.083 402 HD21 LEU 54 3HD2 LEU 54 1.615 -0.255 3.651 403 HD22 LEU 54 1HD2 LEU 54 1.805 1.310 2.852 404 HD23 LEU 54 2HD2 LEU 54 3.187 0.553 3.640 405 H LYS 55 H LYS 55 4.424 -3.010 5.037 406 HA LYS 55 HA LYS 55 5.890 -5.379 4.173 407 HB2 LYS 55 2HB LYS 55 6.244 -4.579 6.448 408 HB3 LYS 55 3HB LYS 55 4.519 -4.625 6.791 409 HG2 LYS 55 2HG LYS 55 4.553 -7.085 6.596 410 HG3 LYS 55 3HG LYS 55 6.285 -7.035 6.245 411 HD2 LYS 55 2HD LYS 55 6.734 -6.095 8.465 412 HD3 LYS 55 3HD LYS 55 5.003 -6.030 8.818 413 HE2 LYS 55 2HE LYS 55 5.999 -7.959 9.922 414 HE3 LYS 55 3HE LYS 55 4.903 -8.504 8.650 415 HZ1 LYS 55 3HZ LYS 55 7.857 -8.338 8.402 416 HZ2 LYS 55 1HZ LYS 55 6.789 -8.918 7.228 417 HZ3 LYS 55 2HZ LYS 55 6.973 -9.751 8.687 418 H LEU 56 H LEU 56 4.740 -6.724 2.896 419 HA LEU 56 HA LEU 56 1.812 -6.907 3.062 420 HB2 LEU 56 2HB LEU 56 3.684 -8.387 1.161 421 HB3 LEU 56 3HB LEU 56 1.938 -8.243 1.021 422 HG LEU 56 HG LEU 56 4.000 -6.044 0.587 423 HD11 LEU 56 1HD1 LEU 56 3.164 -6.018 -1.720 424 HD12 LEU 56 2HD1 LEU 56 2.072 -7.356 -1.351 425 HD13 LEU 56 3HD1 LEU 56 3.821 -7.595 -1.282 426 HD21 LEU 56 3HD2 LEU 56 2.066 -5.030 1.676 427 HD22 LEU 56 1HD2 LEU 56 0.978 -5.770 0.497 428 HD23 LEU 56 2HD2 LEU 56 2.144 -4.546 -0.015 429 H GLN 57 H GLN 57 0.759 -8.782 3.715 430 HA GLN 57 HA GLN 57 2.355 -10.901 5.027 431 HB2 GLN 57 2HB GLN 57 -0.596 -10.168 5.237 432 HB3 GLN 57 3HB GLN 57 0.115 -11.584 6.008 433 HG2 GLN 57 2HG GLN 57 0.908 -8.710 6.567 434 HG3 GLN 57 3HG GLN 57 -0.173 -9.681 7.564 435 HE21 GLN 57 1HE2 GLN 57 2.365 -8.417 8.274 436 HE22 GLN 57 2HE2 GLN 57 3.377 -9.679 8.876 437 H GLY 58 H GLY 58 1.120 -13.136 4.868 438 HA2 GLY 58 2HA GLY 58 1.412 -14.097 2.215 439 HA3 GLY 58 3HA GLY 58 0.781 -14.994 3.587 440 H SER 59 H SER 59 -0.464 -15.843 1.626 441 HA SER 59 HA SER 59 -2.425 -16.262 0.612 442 HB2 SER 59 2HB SER 59 -3.585 -13.914 2.175 443 HB3 SER 59 3HB SER 59 -4.529 -15.101 1.270 444 HG SER 59 HG SER 59 -4.477 -16.238 3.015 445 H CYS 60 H CYS 60 -2.221 -12.705 0.805 446 HA CYS 60 HA CYS 60 -2.884 -12.246 -1.947 447 HB2 CYS 60 2HB CYS 60 -1.714 -10.337 0.131 448 HB3 CYS 60 3HB CYS 60 -2.498 -9.882 -1.390 449 HG CYS 60 HG CYS 60 -4.388 -11.829 0.534 450 H THR 61 H THR 61 -0.021 -13.301 -0.497 451 HA THR 61 HA THR 61 1.655 -12.397 -2.777 452 HB THR 61 HB THR 61 3.611 -12.489 -1.194 453 HG1 THR 61 HG1 THR 61 2.671 -13.916 0.360 454 HG21 THR 61 3HG2 THR 61 3.128 -10.424 0.083 455 HG22 THR 61 1HG2 THR 61 1.408 -10.615 -0.262 456 HG23 THR 61 2HG2 THR 61 2.541 -10.299 -1.578 457 H SER 62 H SER 62 0.022 -14.776 -2.718 458 HA SER 62 HA SER 62 1.403 -17.133 -2.028 459 HB2 SER 62 2HB SER 62 -0.632 -16.746 -4.267 460 HB3 SER 62 3HB SER 62 -0.155 -18.295 -3.563 461 HG SER 62 HG SER 62 -1.366 -17.914 -1.902 462 H CYS 63 H CYS 63 1.653 -15.097 -4.843 463 HA CYS 63 HA CYS 63 3.900 -16.668 -5.914 464 HB2 CYS 63 2HB CYS 63 1.496 -15.668 -7.512 465 HB3 CYS 63 3HB CYS 63 2.969 -16.323 -8.228 466 HG CYS 63 HG CYS 63 2.618 -18.884 -7.485 467 HA PRO 64 HA PRO 64 6.011 -12.669 -6.547 468 HB2 PRO 64 2HB PRO 64 6.411 -13.700 -9.375 469 HB3 PRO 64 3HB PRO 64 7.591 -12.955 -8.270 470 HG2 PRO 64 2HG PRO 64 7.614 -15.580 -8.603 471 HG3 PRO 64 3HG PRO 64 7.821 -14.888 -6.976 472 HD2 PRO 64 2HD PRO 64 5.394 -16.213 -8.163 473 HD3 PRO 64 3HD PRO 64 6.019 -16.279 -6.498 474 H SER 65 H SER 65 3.776 -13.788 -9.114 475 HA SER 65 HA SER 65 3.231 -11.195 -10.193 476 HB2 SER 65 2HB SER 65 2.959 -13.243 -11.541 477 HB3 SER 65 3HB SER 65 1.665 -13.795 -10.479 478 HG SER 65 HG SER 65 0.328 -12.556 -11.524 479 H SER 66 H SER 66 1.729 -13.156 -7.637 480 HA SER 66 HA SER 66 -0.614 -11.620 -7.236 481 HB2 SER 66 2HB SER 66 0.977 -13.146 -5.121 482 HB3 SER 66 3HB SER 66 -0.730 -12.695 -5.032 483 HG SER 66 HG SER 66 -0.926 -14.014 -7.030 484 H ILE 67 H ILE 67 2.664 -11.387 -5.899 485 HA ILE 67 HA ILE 67 2.380 -9.167 -4.199 486 HB ILE 67 HB ILE 67 4.849 -10.086 -5.751 487 HG12 ILE 67 2HG1 ILE 67 3.964 -10.735 -2.895 488 HG13 ILE 67 3HG1 ILE 67 3.935 -11.848 -4.257 489 HG21 ILE 67 1HG2 ILE 67 6.184 -8.821 -4.087 490 HG22 ILE 67 2HG2 ILE 67 4.697 -8.215 -3.353 491 HG23 ILE 67 3HG2 ILE 67 5.120 -7.756 -5.004 492 HD11 ILE 67 3HD1 ILE 67 6.400 -11.701 -4.375 493 HD12 ILE 67 1HD1 ILE 67 5.800 -12.338 -2.843 494 HD13 ILE 67 2HD1 ILE 67 6.377 -10.674 -2.938 495 H ILE 68 H ILE 68 3.449 -9.351 -7.610 496 HA ILE 68 HA ILE 68 4.048 -6.645 -8.029 497 HB ILE 68 HB ILE 68 3.312 -8.874 -9.976 498 HG12 ILE 68 2HG1 ILE 68 5.976 -7.515 -9.339 499 HG13 ILE 68 3HG1 ILE 68 5.482 -9.108 -8.782 500 HG21 ILE 68 1HG2 ILE 68 4.234 -6.079 -10.739 501 HG22 ILE 68 2HG2 ILE 68 2.653 -6.780 -11.079 502 HG23 ILE 68 3HG2 ILE 68 4.092 -7.444 -11.852 503 HD11 ILE 68 3HD1 ILE 68 7.044 -9.308 -10.591 504 HD12 ILE 68 1HD1 ILE 68 6.044 -8.295 -11.631 505 HD13 ILE 68 2HD1 ILE 68 5.466 -9.885 -11.122 506 H THR 69 H THR 69 1.017 -8.443 -8.647 507 HA THR 69 HA THR 69 -0.454 -6.308 -9.783 508 HB THR 69 HB THR 69 -1.504 -8.779 -8.321 509 HG1 THR 69 HG1 THR 69 -0.856 -9.804 -10.037 510 HG21 THR 69 3HG2 THR 69 -2.883 -6.994 -10.368 511 HG22 THR 69 1HG2 THR 69 -3.284 -7.076 -8.649 512 HG23 THR 69 2HG2 THR 69 -3.545 -8.480 -9.686 513 H LEU 70 H LEU 70 -0.255 -7.545 -6.409 514 HA LEU 70 HA LEU 70 -2.186 -5.828 -5.266 515 HB2 LEU 70 2HB LEU 70 -1.342 -7.873 -4.139 516 HB3 LEU 70 3HB LEU 70 0.235 -7.127 -3.944 517 HG LEU 70 HG LEU 70 -0.790 -5.403 -2.426 518 HD11 LEU 70 1HD1 LEU 70 -3.331 -7.035 -2.698 519 HD12 LEU 70 2HD1 LEU 70 -3.074 -5.386 -3.273 520 HD13 LEU 70 3HD1 LEU 70 -3.064 -5.724 -1.545 521 HD21 LEU 70 3HD2 LEU 70 -1.114 -6.872 -0.479 522 HD22 LEU 70 1HD2 LEU 70 0.267 -7.380 -1.449 523 HD23 LEU 70 2HD2 LEU 70 -1.254 -8.271 -1.549 524 H LYS 71 H LYS 71 1.346 -5.578 -5.363 525 HA LYS 71 HA LYS 71 1.815 -3.181 -4.058 526 HB2 LYS 71 2HB LYS 71 3.563 -4.808 -4.544 527 HB3 LYS 71 3HB LYS 71 3.361 -4.599 -6.274 528 HG2 LYS 71 2HG LYS 71 4.178 -2.202 -4.653 529 HG3 LYS 71 3HG LYS 71 5.376 -3.467 -4.897 530 HD2 LYS 71 2HD LYS 71 3.939 -1.923 -7.108 531 HD3 LYS 71 3HD LYS 71 5.597 -1.654 -6.567 532 HE2 LYS 71 2HE LYS 71 6.159 -3.989 -7.279 533 HE3 LYS 71 3HE LYS 71 4.523 -4.151 -7.923 534 HZ1 LYS 71 3HZ LYS 71 6.538 -2.148 -8.813 535 HZ2 LYS 71 1HZ LYS 71 4.985 -2.335 -9.453 536 HZ3 LYS 71 2HZ LYS 71 6.132 -3.561 -9.639 537 H ASN 72 H ASN 72 1.191 -3.788 -7.510 538 HA ASN 72 HA ASN 72 1.518 -1.079 -8.379 539 HB2 ASN 72 2HB ASN 72 0.343 -3.544 -9.713 540 HB3 ASN 72 3HB ASN 72 0.295 -1.976 -10.509 541 HD21 ASN 72 1HD2 ASN 72 1.650 -4.382 -11.344 542 HD22 ASN 72 2HD2 ASN 72 3.318 -3.967 -11.512 543 H GLY 73 H GLY 73 -1.297 -3.024 -7.440 544 HA2 GLY 73 2HA GLY 73 -3.342 -1.259 -8.260 545 HA3 GLY 73 3HA GLY 73 -3.478 -2.480 -7.005 546 H ILE 74 H ILE 74 -1.779 -1.701 -5.117 547 HA ILE 74 HA ILE 74 -2.984 0.383 -3.673 548 HB ILE 74 HB ILE 74 -0.183 -0.805 -3.356 549 HG12 ILE 74 2HG1 ILE 74 -2.744 -1.587 -1.880 550 HG13 ILE 74 3HG1 ILE 74 -2.043 -2.501 -3.210 551 HG21 ILE 74 1HG2 ILE 74 -1.816 0.814 -1.375 552 HG22 ILE 74 2HG2 ILE 74 -0.331 1.324 -2.177 553 HG23 ILE 74 3HG2 ILE 74 -0.291 0.004 -1.015 554 HD11 ILE 74 3HD1 ILE 74 -1.491 -3.530 -1.105 555 HD12 ILE 74 1HD1 ILE 74 -0.776 -2.031 -0.510 556 HD13 ILE 74 2HD1 ILE 74 -0.026 -2.896 -1.854 557 H GLN 75 H GLN 75 -0.058 0.239 -5.665 558 HA GLN 75 HA GLN 75 1.101 2.710 -5.107 559 HB2 GLN 75 2HB GLN 75 2.243 0.821 -6.252 560 HB3 GLN 75 3HB GLN 75 1.268 1.101 -7.691 561 HG2 GLN 75 2HG GLN 75 2.290 3.337 -7.933 562 HG3 GLN 75 3HG GLN 75 3.255 3.047 -6.490 563 HE21 GLN 75 1HE2 GLN 75 3.806 0.232 -7.206 564 HE22 GLN 75 2HE2 GLN 75 4.974 0.315 -8.472 565 H ASN 76 H ASN 76 -0.914 1.836 -7.939 566 HA ASN 76 HA ASN 76 -0.939 4.481 -8.990 567 HB2 ASN 76 2HB ASN 76 -2.584 2.025 -9.727 568 HB3 ASN 76 3HB ASN 76 -2.709 3.565 -10.580 569 HD21 ASN 76 1HD2 ASN 76 -0.857 0.671 -10.220 570 HD22 ASN 76 2HD2 ASN 76 0.349 1.046 -11.393 571 H MET 77 H MET 77 -3.122 2.735 -6.789 572 HA MET 77 HA MET 77 -5.280 4.600 -6.837 573 HB2 MET 77 2HB MET 77 -5.379 2.325 -5.732 574 HB3 MET 77 3HB MET 77 -4.349 2.944 -4.451 575 HG2 MET 77 2HG MET 77 -6.220 4.760 -4.147 576 HG3 MET 77 3HG MET 77 -7.222 3.631 -5.055 577 HE1 MET 77 3HE MET 77 -4.364 2.983 -2.320 578 HE2 MET 77 1HE MET 77 -5.389 2.845 -0.891 579 HE3 MET 77 2HE MET 77 -5.296 4.377 -1.763 580 H LEU 78 H LEU 78 -2.404 4.342 -4.717 581 HA LEU 78 HA LEU 78 -2.822 6.667 -3.180 582 HB2 LEU 78 2HB LEU 78 -0.255 5.161 -3.820 583 HB3 LEU 78 3HB LEU 78 -0.345 6.471 -2.656 584 HG LEU 78 HG LEU 78 -1.801 3.802 -2.405 585 HD11 LEU 78 1HD1 LEU 78 0.626 3.565 -2.128 586 HD12 LEU 78 2HD1 LEU 78 -0.221 3.304 -0.606 587 HD13 LEU 78 3HD1 LEU 78 0.622 4.831 -0.895 588 HD21 LEU 78 3HD2 LEU 78 -2.356 4.528 -0.117 589 HD22 LEU 78 1HD2 LEU 78 -3.070 5.598 -1.320 590 HD23 LEU 78 2HD2 LEU 78 -1.630 6.108 -0.431 591 H GLN 79 H GLN 79 -1.217 6.131 -6.295 592 HA GLN 79 HA GLN 79 -0.050 8.743 -6.526 593 HB2 GLN 79 2HB GLN 79 -0.541 6.554 -8.577 594 HB3 GLN 79 3HB GLN 79 0.174 8.104 -9.016 595 HG2 GLN 79 2HG GLN 79 2.000 7.653 -7.350 596 HG3 GLN 79 3HG GLN 79 1.324 6.041 -7.119 597 HE21 GLN 79 1HE2 GLN 79 3.315 5.166 -7.850 598 HE22 GLN 79 2HE2 GLN 79 3.729 5.133 -9.523 599 H PHE 80 H PHE 80 -3.186 7.415 -7.264 600 HA PHE 80 HA PHE 80 -4.041 9.361 -9.177 601 HB2 PHE 80 2HB PHE 80 -5.052 7.090 -9.020 602 HB3 PHE 80 3HB PHE 80 -5.684 7.474 -7.425 603 HD1 PHE 80 HD1 PHE 80 -5.833 8.634 -10.996 604 HD2 PHE 80 HD2 PHE 80 -7.885 8.339 -7.249 605 HE1 PHE 80 HE1 PHE 80 -7.892 9.483 -12.043 606 HE2 PHE 80 HE2 PHE 80 -9.931 9.188 -8.308 607 HZ PHE 80 HZ PHE 80 -9.940 9.758 -10.703 608 H TYR 81 H TYR 81 -4.505 8.954 -5.667 609 HA TYR 81 HA TYR 81 -5.996 11.463 -5.430 610 HB2 TYR 81 2HB TYR 81 -5.190 9.396 -3.338 611 HB3 TYR 81 3HB TYR 81 -6.214 10.799 -3.025 612 HD1 TYR 81 HD1 TYR 81 -8.354 11.014 -4.587 613 HD2 TYR 81 HD2 TYR 81 -6.266 7.341 -3.909 614 HE1 TYR 81 HE1 TYR 81 -10.341 9.755 -5.284 615 HE2 TYR 81 HE2 TYR 81 -8.261 6.087 -4.605 616 HH TYR 81 HH TYR 81 -10.864 7.521 -6.209 617 H ILE 82 H ILE 82 -2.814 10.185 -4.680 618 HA ILE 82 HA ILE 82 -1.928 12.760 -3.480 619 HB ILE 82 HB ILE 82 -0.740 10.011 -2.880 620 HG12 ILE 82 2HG1 ILE 82 -2.647 11.555 -1.064 621 HG13 ILE 82 3HG1 ILE 82 -3.141 10.204 -2.080 622 HG21 ILE 82 1HG2 ILE 82 0.795 11.909 -2.530 623 HG22 ILE 82 2HG2 ILE 82 0.381 11.143 -0.996 624 HG23 ILE 82 3HG2 ILE 82 -0.378 12.670 -1.451 625 HD11 ILE 82 3HD1 ILE 82 -2.794 9.503 0.199 626 HD12 ILE 82 1HD1 ILE 82 -1.130 10.082 0.158 627 HD13 ILE 82 2HD1 ILE 82 -1.624 8.732 -0.872 628 HA PRO 83 HA PRO 83 0.689 12.399 -7.278 629 HB2 PRO 83 2HB PRO 83 1.384 15.243 -6.750 630 HB3 PRO 83 3HB PRO 83 0.553 14.535 -8.152 631 HG2 PRO 83 2HG PRO 83 -0.754 16.092 -6.371 632 HG3 PRO 83 3HG PRO 83 -1.544 14.733 -7.204 633 HD2 PRO 83 2HD PRO 83 -0.421 14.825 -4.401 634 HD3 PRO 83 3HD PRO 83 -1.972 14.162 -4.972 635 H GLU 84 H GLU 84 1.514 12.853 -4.040 636 HA GLU 84 HA GLU 84 4.314 13.448 -4.295 637 HB2 GLU 84 2HB GLU 84 2.933 12.257 -1.857 638 HB3 GLU 84 3HB GLU 84 4.395 13.239 -1.898 639 HG2 GLU 84 2HG GLU 84 1.568 14.190 -2.495 640 HG3 GLU 84 3HG GLU 84 2.483 14.504 -1.022 641 H VAL 85 H VAL 85 2.435 10.575 -4.511 642 HA VAL 85 HA VAL 85 4.499 8.720 -3.672 643 HB VAL 85 HB VAL 85 1.787 8.198 -4.972 644 HG11 VAL 85 1HG1 VAL 85 3.655 6.249 -3.568 645 HG12 VAL 85 2HG1 VAL 85 3.312 6.285 -5.299 646 HG13 VAL 85 3HG1 VAL 85 2.031 5.874 -4.157 647 HG21 VAL 85 3HG2 VAL 85 2.599 8.121 -2.041 648 HG22 VAL 85 1HG2 VAL 85 1.022 7.645 -2.680 649 HG23 VAL 85 2HG2 VAL 85 1.550 9.324 -2.800 650 H GLU 86 H GLU 86 6.099 8.136 -4.961 651 HA GLU 86 HA GLU 86 6.002 8.203 -7.878 652 HB2 GLU 86 2HB GLU 86 8.260 7.398 -5.977 653 HB3 GLU 86 3HB GLU 86 8.411 7.585 -7.722 654 HG2 GLU 86 2HG GLU 86 7.881 9.765 -5.683 655 HG3 GLU 86 3HG GLU 86 9.350 9.525 -6.625 656 H GLY 87 H GLY 87 6.110 5.903 -5.212 657 HA2 GLY 87 2HA GLY 87 5.224 3.705 -6.830 658 HA3 GLY 87 3HA GLY 87 6.930 3.582 -6.406 659 H VAL 88 H VAL 88 5.552 1.590 -5.573 660 HA VAL 88 HA VAL 88 5.470 1.914 -2.625 661 HB VAL 88 HB VAL 88 3.575 0.198 -4.326 662 HG11 VAL 88 1HG1 VAL 88 4.348 -1.230 -2.476 663 HG12 VAL 88 2HG1 VAL 88 2.667 -0.761 -2.208 664 HG13 VAL 88 3HG1 VAL 88 3.960 0.036 -1.307 665 HG21 VAL 88 3HG2 VAL 88 1.779 1.388 -3.118 666 HG22 VAL 88 1HG2 VAL 88 2.838 2.523 -3.961 667 HG23 VAL 88 2HG2 VAL 88 2.988 2.304 -2.217 668 H GLU 89 H GLU 89 6.861 0.517 -1.601 669 HA GLU 89 HA GLU 89 8.139 -1.654 -3.172 670 HB2 GLU 89 2HB GLU 89 9.727 0.108 -2.511 671 HB3 GLU 89 3HB GLU 89 9.239 -0.033 -0.823 672 HG2 GLU 89 2HG GLU 89 10.163 -2.305 -0.724 673 HG3 GLU 89 3HG GLU 89 10.564 -2.239 -2.440 674 H GLN 90 H GLN 90 8.030 -3.711 -2.357 675 HA GLN 90 HA GLN 90 6.578 -4.235 0.120 676 HB2 GLN 90 2HB GLN 90 6.190 -5.685 -1.865 677 HB3 GLN 90 3HB GLN 90 7.888 -6.160 -1.859 678 HG2 GLN 90 2HG GLN 90 7.512 -7.104 0.473 679 HG3 GLN 90 3HG GLN 90 5.791 -6.797 0.244 680 HE21 GLN 90 1HE2 GLN 90 5.203 -8.970 0.340 681 HE22 GLN 90 2HE2 GLN 90 5.636 -10.113 -0.877 682 H VAL 91 H VAL 91 7.683 -4.149 1.970 683 HA VAL 91 HA VAL 91 10.490 -5.092 2.134 684 HB VAL 91 HB VAL 91 10.628 -3.428 4.148 685 HG11 VAL 91 1HG1 VAL 91 10.509 -2.262 1.338 686 HG12 VAL 91 2HG1 VAL 91 11.903 -3.068 2.064 687 HG13 VAL 91 3HG1 VAL 91 11.328 -1.536 2.725 688 HG21 VAL 91 3HG2 VAL 91 8.239 -2.869 4.313 689 HG22 VAL 91 1HG2 VAL 91 8.273 -2.163 2.694 690 HG23 VAL 91 2HG2 VAL 91 9.190 -1.415 4.007 691 H MET 92 H MET 92 10.420 -7.043 3.225 692 HA MET 92 HA MET 92 8.500 -7.402 5.401 693 HB2 MET 92 2HB MET 92 9.500 -9.640 5.709 694 HB3 MET 92 3HB MET 92 8.935 -9.378 4.075 695 HG2 MET 92 2HG MET 92 11.198 -9.175 3.260 696 HG3 MET 92 3HG MET 92 11.843 -9.224 4.904 697 HE1 MET 92 3HE MET 92 10.910 -12.934 5.963 698 HE2 MET 92 1HE MET 92 9.881 -11.518 6.194 699 HE3 MET 92 2HE MET 92 11.615 -11.412 6.502 700 H ASP 93 H ASP 93 9.158 -5.603 6.590 701 HA ASP 93 HA ASP 93 11.611 -5.954 8.221 702 HB2 ASP 93 2HB ASP 93 11.567 -3.765 7.174 703 HB3 ASP 93 3HB ASP 93 9.885 -3.512 7.618 704 H ASP 94 H ASP 94 10.907 -7.443 9.609 705 HA ASP 94 HA ASP 94 8.383 -7.074 11.104 706 HB2 ASP 94 2HB ASP 94 8.650 -9.205 9.805 707 HB3 ASP 94 3HB ASP 94 10.103 -9.578 10.729 708 H GLU 95 H GLU 95 8.421 -7.516 13.363 709 HA GLU 95 HA GLU 95 10.943 -7.470 14.870 710 HB2 GLU 95 2HB GLU 95 9.777 -5.492 16.248 711 HB3 GLU 95 3HB GLU 95 10.746 -5.150 14.827 712 HG2 GLU 95 2HG GLU 95 8.729 -3.787 14.837 713 HG3 GLU 95 3HG GLU 95 8.702 -4.894 13.466 714 H SER 96 H SER 96 8.468 -9.179 14.371 715 HA SER 96 HA SER 96 7.539 -9.638 17.143 716 HB2 SER 96 2HB SER 96 5.863 -8.286 15.763 717 HB3 SER 96 3HB SER 96 5.747 -9.659 14.658 718 HG SER 96 HG SER 96 5.095 -10.915 16.514 719 H ASP 97 H ASP 97 9.610 -10.954 15.517 720 HA ASP 97 HA ASP 97 8.886 -13.323 14.247 721 HB2 ASP 97 2HB ASP 97 11.151 -12.453 14.078 722 HB3 ASP 97 3HB ASP 97 11.410 -12.615 15.810 Start of MODEL 7 1 H1 MET 1 1H MET 1 -2.036 18.706 -26.830 2 H2 MET 1 2H MET 1 -0.726 19.644 -27.333 3 H3 MET 1 3H MET 1 -1.653 20.132 -26.006 4 HA MET 1 HA MET 1 -0.945 18.237 -24.735 5 HB2 MET 1 2HB MET 1 0.725 16.655 -25.606 6 HB3 MET 1 3HB MET 1 -0.673 16.690 -26.675 7 HG2 MET 1 2HG MET 1 0.537 18.086 -28.267 8 HG3 MET 1 3HG MET 1 1.927 18.164 -27.183 9 HE1 MET 1 3HE MET 1 3.542 17.358 -29.140 10 HE2 MET 1 1HE MET 1 2.175 17.270 -30.256 11 HE3 MET 1 2HE MET 1 3.265 15.896 -30.086 12 H GLY 2 H GLY 2 0.045 21.081 -25.887 13 HA2 GLY 2 2HA GLY 2 2.895 21.052 -25.373 14 HA3 GLY 2 3HA GLY 2 1.919 22.407 -25.906 15 H HIS 3 H HIS 3 0.656 20.895 -23.082 16 HA HIS 3 HA HIS 3 2.326 22.224 -21.149 17 HB2 HIS 3 2HB HIS 3 0.540 23.654 -20.159 18 HB3 HIS 3 3HB HIS 3 0.989 24.165 -21.773 19 HD1 HIS 3 HD1 HIS 3 -1.888 23.115 -19.748 20 HD2 HIS 3 HD2 HIS 3 -1.037 23.596 -23.781 21 HE1 HIS 3 HE1 HIS 3 -4.110 23.179 -20.903 22 HE2 HIS 3 HE2 HIS 3 -3.566 23.652 -23.307 23 H HIS 4 H HIS 4 2.580 20.590 -19.808 24 HA HIS 4 HA HIS 4 0.241 19.346 -18.476 25 HB2 HIS 4 2HB HIS 4 2.798 17.933 -19.381 26 HB3 HIS 4 3HB HIS 4 1.670 17.236 -18.225 27 HD1 HIS 4 HD1 HIS 4 2.474 16.893 -21.615 28 HD2 HIS 4 HD2 HIS 4 -1.121 17.269 -19.565 29 HE1 HIS 4 HE1 HIS 4 0.717 15.964 -23.148 30 HE2 HIS 4 HE2 HIS 4 -1.397 16.004 -21.795 31 H HIS 5 H HIS 5 1.021 21.498 -17.375 32 HA HIS 5 HA HIS 5 3.355 21.489 -15.731 33 HB2 HIS 5 2HB HIS 5 2.276 23.580 -16.498 34 HB3 HIS 5 3HB HIS 5 0.819 23.194 -15.592 35 HD1 HIS 5 HD1 HIS 5 4.331 24.447 -15.158 36 HD2 HIS 5 HD2 HIS 5 0.924 23.840 -12.862 37 HE1 HIS 5 HE1 HIS 5 4.759 25.618 -12.988 38 HE2 HIS 5 HE2 HIS 5 2.763 25.081 -11.559 39 H HIS 6 H HIS 6 3.531 19.827 -14.276 40 HA HIS 6 HA HIS 6 1.712 19.726 -12.017 41 HB2 HIS 6 2HB HIS 6 1.213 17.318 -12.180 42 HB3 HIS 6 3HB HIS 6 0.585 18.171 -13.575 43 HD1 HIS 6 HD1 HIS 6 1.413 17.434 -15.859 44 HD2 HIS 6 HD2 HIS 6 3.407 15.532 -12.756 45 HE1 HIS 6 HE1 HIS 6 2.727 15.587 -16.925 46 HE2 HIS 6 HE2 HIS 6 3.725 14.322 -15.002 47 H HIS 7 H HIS 7 4.353 20.573 -12.251 48 HA HIS 7 HA HIS 7 6.325 20.520 -11.147 49 HB2 HIS 7 2HB HIS 7 4.955 19.780 -9.185 50 HB3 HIS 7 3HB HIS 7 5.196 18.106 -9.652 51 HD1 HIS 7 HD1 HIS 7 7.099 21.083 -8.299 52 HD2 HIS 7 HD2 HIS 7 7.500 16.959 -8.619 53 HE1 HIS 7 HE1 HIS 7 9.005 20.471 -6.793 54 HE2 HIS 7 HE2 HIS 7 9.077 17.963 -6.837 55 H HIS 8 H HIS 8 7.205 20.053 -13.245 56 HA HIS 8 HA HIS 8 7.915 17.347 -14.010 57 HB2 HIS 8 2HB HIS 8 8.632 20.051 -15.211 58 HB3 HIS 8 3HB HIS 8 9.265 18.539 -15.845 59 HD1 HIS 8 HD1 HIS 8 7.357 16.796 -16.690 60 HD2 HIS 8 HD2 HIS 8 6.272 20.792 -16.354 61 HE1 HIS 8 HE1 HIS 8 5.325 17.069 -18.135 62 HE2 HIS 8 HE2 HIS 8 4.855 19.540 -18.097 63 H SER 9 H SER 9 9.640 20.175 -12.749 64 HA SER 9 HA SER 9 12.126 18.738 -12.383 65 HB2 SER 9 2HB SER 9 11.237 21.482 -11.365 66 HB3 SER 9 3HB SER 9 12.885 20.838 -11.292 67 HG SER 9 HG SER 9 12.589 20.616 -13.690 68 H HIS 10 H HIS 10 11.718 17.006 -11.072 69 HA HIS 10 HA HIS 10 10.200 17.198 -8.624 70 HB2 HIS 10 2HB HIS 10 11.841 14.937 -9.834 71 HB3 HIS 10 3HB HIS 10 11.017 14.796 -8.283 72 HD1 HIS 10 HD1 HIS 10 9.051 13.304 -8.751 73 HD2 HIS 10 HD2 HIS 10 9.511 16.198 -11.664 74 HE1 HIS 10 HE1 HIS 10 7.054 13.089 -10.237 75 HE2 HIS 10 HE2 HIS 10 7.234 15.030 -11.803 76 H MET 11 H MET 11 11.439 18.979 -7.770 77 HA MET 11 HA MET 11 14.115 18.407 -6.687 78 HB2 MET 11 2HB MET 11 13.814 20.467 -8.066 79 HB3 MET 11 3HB MET 11 12.603 21.054 -6.931 80 HG2 MET 11 2HG MET 11 14.728 22.159 -6.507 81 HG3 MET 11 3HG MET 11 14.338 21.101 -5.147 82 HE1 MET 11 3HE MET 11 18.232 20.758 -5.218 83 HE2 MET 11 1HE MET 11 16.812 21.042 -4.205 84 HE3 MET 11 2HE MET 11 17.263 22.212 -5.448 85 H GLY 12 H GLY 12 14.295 17.885 -4.597 86 HA2 GLY 12 2HA GLY 12 14.020 17.911 -2.329 87 HA3 GLY 12 3HA GLY 12 12.827 19.184 -2.507 88 H SER 13 H SER 13 13.308 15.682 -2.727 89 HA SER 13 HA SER 13 10.545 14.941 -2.748 90 HB2 SER 13 2HB SER 13 12.331 13.408 -3.536 91 HB3 SER 13 3HB SER 13 13.014 13.347 -1.908 92 HG SER 13 HG SER 13 10.987 12.419 -1.236 93 H GLU 14 H GLU 14 9.205 15.348 -1.107 94 HA GLU 14 HA GLU 14 10.129 16.158 1.497 95 HB2 GLU 14 2HB GLU 14 7.635 16.473 1.954 96 HB3 GLU 14 3HB GLU 14 8.300 17.409 0.631 97 HG2 GLU 14 2HG GLU 14 6.116 16.625 0.013 98 HG3 GLU 14 3HG GLU 14 7.310 15.809 -0.993 99 H GLU 15 H GLU 15 8.487 15.327 3.349 100 HA GLU 15 HA GLU 15 7.984 12.467 3.411 101 HB2 GLU 15 2HB GLU 15 9.430 12.076 5.420 102 HB3 GLU 15 3HB GLU 15 10.372 12.508 3.992 103 HG2 GLU 15 2HG GLU 15 10.549 14.843 4.845 104 HG3 GLU 15 3HG GLU 15 9.669 14.368 6.299 105 H ASP 16 H ASP 16 6.399 14.829 3.507 106 HA ASP 16 HA ASP 16 5.919 15.959 6.028 107 HB2 ASP 16 2HB ASP 16 5.220 17.099 4.007 108 HB3 ASP 16 3HB ASP 16 4.174 15.762 3.551 109 H ASP 17 H ASP 17 4.586 15.505 7.673 110 HA ASP 17 HA ASP 17 3.748 12.813 8.092 111 HB2 ASP 17 2HB ASP 17 3.106 13.540 10.317 112 HB3 ASP 17 3HB ASP 17 4.636 14.296 9.901 113 H GLY 18 H GLY 18 2.116 15.718 6.985 114 HA2 GLY 18 2HA GLY 18 -0.582 14.903 7.355 115 HA3 GLY 18 3HA GLY 18 -0.003 16.069 6.172 116 H VAL 19 H VAL 19 1.653 14.594 4.583 117 HA VAL 19 HA VAL 19 0.017 13.116 2.839 118 HB VAL 19 HB VAL 19 3.069 13.015 3.089 119 HG11 VAL 19 1HG1 VAL 19 3.040 12.281 0.706 120 HG12 VAL 19 2HG1 VAL 19 1.275 12.199 0.765 121 HG13 VAL 19 3HG1 VAL 19 2.246 11.116 1.768 122 HG21 VAL 19 3HG2 VAL 19 2.246 15.319 2.706 123 HG22 VAL 19 1HG2 VAL 19 1.342 14.768 1.291 124 HG23 VAL 19 2HG2 VAL 19 3.108 14.710 1.290 125 H VAL 20 H VAL 20 2.468 12.004 5.185 126 HA VAL 20 HA VAL 20 2.302 9.246 4.888 127 HB VAL 20 HB VAL 20 3.026 10.952 7.315 128 HG11 VAL 20 1HG1 VAL 20 2.337 8.751 8.181 129 HG12 VAL 20 2HG1 VAL 20 4.083 8.948 8.334 130 HG13 VAL 20 3HG1 VAL 20 3.416 7.946 7.041 131 HG21 VAL 20 3HG2 VAL 20 4.524 11.171 5.359 132 HG22 VAL 20 1HG2 VAL 20 4.767 9.422 5.332 133 HG23 VAL 20 2HG2 VAL 20 5.360 10.378 6.694 134 H ALA 21 H ALA 21 0.444 11.344 7.081 135 HA ALA 21 HA ALA 21 -1.013 9.396 8.475 136 HB1 ALA 21 3HB ALA 21 -2.511 11.228 9.145 137 HB2 ALA 21 1HB ALA 21 -1.839 12.257 7.877 138 HB3 ALA 21 2HB ALA 21 -0.822 11.737 9.223 139 H MET 22 H MET 22 -1.910 11.240 5.519 140 HA MET 22 HA MET 22 -4.498 9.987 5.350 141 HB2 MET 22 2HB MET 22 -4.855 11.199 3.292 142 HB3 MET 22 3HB MET 22 -4.154 12.276 4.489 143 HG2 MET 22 2HG MET 22 -2.011 12.208 3.387 144 HG3 MET 22 3HG MET 22 -2.575 10.961 2.265 145 HE1 MET 22 3HE MET 22 -4.346 11.422 0.296 146 HE2 MET 22 1HE MET 22 -5.171 12.968 0.082 147 HE3 MET 22 2HE MET 22 -5.520 11.974 1.495 148 H ILE 23 H ILE 23 -1.310 9.194 4.074 149 HA ILE 23 HA ILE 23 -2.147 7.231 2.180 150 HB ILE 23 HB ILE 23 0.448 7.388 3.796 151 HG12 ILE 23 2HG1 ILE 23 -0.103 8.030 0.858 152 HG13 ILE 23 3HG1 ILE 23 0.154 9.213 2.132 153 HG21 ILE 23 1HG2 ILE 23 1.390 5.692 2.231 154 HG22 ILE 23 2HG2 ILE 23 -0.208 5.484 1.509 155 HG23 ILE 23 3HG2 ILE 23 0.067 5.040 3.194 156 HD11 ILE 23 3HD1 ILE 23 2.131 8.951 0.745 157 HD12 ILE 23 1HD1 ILE 23 2.213 7.233 1.136 158 HD13 ILE 23 2HD1 ILE 23 2.461 8.444 2.400 159 H LYS 24 H LYS 24 -1.289 7.064 5.662 160 HA LYS 24 HA LYS 24 -1.770 4.361 6.161 161 HB2 LYS 24 2HB LYS 24 -2.179 6.755 8.000 162 HB3 LYS 24 3HB LYS 24 -2.242 5.076 8.544 163 HG2 LYS 24 2HG LYS 24 0.120 4.790 7.805 164 HG3 LYS 24 3HG LYS 24 0.164 6.507 7.371 165 HD2 LYS 24 2HD LYS 24 -0.305 7.114 9.736 166 HD3 LYS 24 3HD LYS 24 -0.375 5.402 10.166 167 HE2 LYS 24 2HE LYS 24 2.016 5.199 9.413 168 HE3 LYS 24 3HE LYS 24 2.043 6.950 9.193 169 HZ1 LYS 24 3HZ LYS 24 1.611 7.220 11.533 170 HZ2 LYS 24 1HZ LYS 24 2.973 6.246 11.323 171 HZ3 LYS 24 2HZ LYS 24 1.492 5.553 11.756 172 H GLU 25 H GLU 25 -4.027 7.082 5.997 173 HA GLU 25 HA GLU 25 -6.337 5.728 6.937 174 HB2 GLU 25 2HB GLU 25 -6.110 8.190 6.958 175 HB3 GLU 25 3HB GLU 25 -6.079 8.206 5.197 176 HG2 GLU 25 2HG GLU 25 -8.377 7.379 5.103 177 HG3 GLU 25 3HG GLU 25 -8.434 7.253 6.862 178 H LEU 26 H LEU 26 -5.179 6.532 3.630 179 HA LEU 26 HA LEU 26 -7.325 5.389 2.180 180 HB2 LEU 26 2HB LEU 26 -4.428 5.903 1.361 181 HB3 LEU 26 3HB LEU 26 -5.687 5.424 0.226 182 HG LEU 26 HG LEU 26 -5.665 8.017 1.826 183 HD11 LEU 26 1HD1 LEU 26 -3.891 7.979 0.143 184 HD12 LEU 26 2HD1 LEU 26 -5.152 9.135 -0.279 185 HD13 LEU 26 3HD1 LEU 26 -5.070 7.578 -1.110 186 HD21 LEU 26 3HD2 LEU 26 -7.542 7.107 -0.367 187 HD22 LEU 26 1HD2 LEU 26 -7.522 8.703 0.394 188 HD23 LEU 26 2HD2 LEU 26 -7.936 7.282 1.347 189 H LEU 27 H LEU 27 -4.340 4.012 3.452 190 HA LEU 27 HA LEU 27 -4.606 1.445 2.225 191 HB2 LEU 27 2HB LEU 27 -3.073 2.351 4.686 192 HB3 LEU 27 3HB LEU 27 -2.965 0.727 4.011 193 HG LEU 27 HG LEU 27 -2.141 3.280 2.565 194 HD11 LEU 27 1HD1 LEU 27 -0.404 1.169 3.847 195 HD12 LEU 27 2HD1 LEU 27 -0.655 2.819 4.426 196 HD13 LEU 27 3HD1 LEU 27 0.154 2.544 2.886 197 HD21 LEU 27 3HD2 LEU 27 -1.792 0.384 1.735 198 HD22 LEU 27 1HD2 LEU 27 -1.152 1.797 0.884 199 HD23 LEU 27 2HD2 LEU 27 -2.892 1.556 1.002 200 H ASP 28 H ASP 28 -5.421 2.773 5.446 201 HA ASP 28 HA ASP 28 -6.144 0.342 6.643 202 HB2 ASP 28 2HB ASP 28 -5.546 2.392 7.911 203 HB3 ASP 28 3HB ASP 28 -7.064 3.136 7.424 204 H THR 29 H THR 29 -8.190 2.796 5.136 205 HA THR 29 HA THR 29 -10.652 1.473 5.856 206 HB THR 29 HB THR 29 -11.694 3.401 4.531 207 HG1 THR 29 HG1 THR 29 -9.300 4.794 4.568 208 HG21 THR 29 3HG2 THR 29 -9.766 4.189 6.735 209 HG22 THR 29 1HG2 THR 29 -11.389 3.538 6.980 210 HG23 THR 29 2HG2 THR 29 -11.176 5.116 6.207 211 H ARG 30 H ARG 30 -8.669 1.767 2.963 212 HA ARG 30 HA ARG 30 -10.836 0.689 1.266 213 HB2 ARG 30 2HB ARG 30 -8.229 2.001 0.443 214 HB3 ARG 30 3HB ARG 30 -9.583 1.605 -0.612 215 HG2 ARG 30 2HG ARG 30 -10.957 3.324 0.384 216 HG3 ARG 30 3HG ARG 30 -9.788 3.597 1.677 217 HD2 ARG 30 2HD ARG 30 -9.400 5.407 0.236 218 HD3 ARG 30 3HD ARG 30 -8.146 4.269 -0.234 219 HE ARG 30 HE ARG 30 -10.377 5.203 -1.825 220 HH11 ARG 30 1HH1 ARG 30 -7.975 2.642 -1.566 221 HH12 ARG 30 2HH1 ARG 30 -8.058 2.244 -3.246 222 HH21 ARG 30 1HH2 ARG 30 -10.370 4.746 -4.021 223 HH22 ARG 30 2HH2 ARG 30 -9.413 3.435 -4.635 224 H ILE 31 H ILE 31 -7.330 0.242 1.900 225 HA ILE 31 HA ILE 31 -7.180 -1.964 -0.006 226 HB ILE 31 HB ILE 31 -4.984 -0.686 1.675 227 HG12 ILE 31 2HG1 ILE 31 -5.966 0.945 0.100 228 HG13 ILE 31 3HG1 ILE 31 -4.324 0.535 -0.374 229 HG21 ILE 31 1HG2 ILE 31 -3.388 -1.754 0.113 230 HG22 ILE 31 2HG2 ILE 31 -4.731 -2.576 -0.689 231 HG23 ILE 31 3HG2 ILE 31 -4.350 -2.945 0.994 232 HD11 ILE 31 3HD1 ILE 31 -5.197 -0.902 -2.146 233 HD12 ILE 31 1HD1 ILE 31 -5.797 0.751 -2.280 234 HD13 ILE 31 2HD1 ILE 31 -6.848 -0.514 -1.647 235 H ARG 32 H ARG 32 -6.293 -1.516 3.460 236 HA ARG 32 HA ARG 32 -5.407 -3.973 4.133 237 HB2 ARG 32 2HB ARG 32 -6.954 -2.041 5.886 238 HB3 ARG 32 3HB ARG 32 -6.266 -3.533 6.515 239 HG2 ARG 32 2HG ARG 32 -3.998 -2.699 5.707 240 HG3 ARG 32 3HG ARG 32 -4.774 -1.138 5.406 241 HD2 ARG 32 2HD ARG 32 -3.670 -1.159 7.607 242 HD3 ARG 32 3HD ARG 32 -5.421 -1.014 7.805 243 HE ARG 32 HE ARG 32 -4.158 -3.668 7.962 244 HH11 ARG 32 1HH1 ARG 32 -5.855 -1.097 9.705 245 HH12 ARG 32 2HH1 ARG 32 -6.172 -2.106 11.080 246 HH21 ARG 32 1HH2 ARG 32 -4.660 -4.968 9.733 247 HH22 ARG 32 2HH2 ARG 32 -5.497 -4.291 11.096 248 HA PRO 33 HA PRO 33 -9.834 -5.592 5.516 249 HB2 PRO 33 2HB PRO 33 -12.062 -4.489 4.246 250 HB3 PRO 33 3HB PRO 33 -11.453 -3.950 5.826 251 HG2 PRO 33 2HG PRO 33 -10.982 -2.748 3.112 252 HG3 PRO 33 3HG PRO 33 -11.349 -1.933 4.656 253 HD2 PRO 33 2HD PRO 33 -8.835 -2.037 3.708 254 HD3 PRO 33 3HD PRO 33 -9.167 -2.142 5.445 255 H THR 34 H THR 34 -9.483 -4.447 2.164 256 HA THR 34 HA THR 34 -10.684 -6.617 0.800 257 HB THR 34 HB THR 34 -8.504 -4.694 -0.147 258 HG1 THR 34 HG1 THR 34 -10.120 -3.360 0.240 259 HG21 THR 34 3HG2 THR 34 -8.751 -6.586 -1.713 260 HG22 THR 34 1HG2 THR 34 -9.381 -5.097 -2.421 261 HG23 THR 34 2HG2 THR 34 -10.494 -6.310 -1.783 262 H VAL 35 H VAL 35 -7.310 -5.928 1.689 263 HA VAL 35 HA VAL 35 -6.153 -8.307 0.600 264 HB VAL 35 HB VAL 35 -4.992 -6.417 2.712 265 HG11 VAL 35 1HG1 VAL 35 -2.779 -7.189 1.887 266 HG12 VAL 35 2HG1 VAL 35 -3.586 -8.338 0.811 267 HG13 VAL 35 3HG1 VAL 35 -3.723 -8.519 2.563 268 HG21 VAL 35 3HG2 VAL 35 -3.906 -5.241 0.827 269 HG22 VAL 35 1HG2 VAL 35 -5.664 -5.181 0.687 270 HG23 VAL 35 2HG2 VAL 35 -4.738 -6.296 -0.319 271 H GLN 36 H GLN 36 -7.619 -7.499 3.685 272 HA GLN 36 HA GLN 36 -6.743 -9.877 5.064 273 HB2 GLN 36 2HB GLN 36 -8.838 -7.810 5.816 274 HB3 GLN 36 3HB GLN 36 -8.378 -9.163 6.850 275 HG2 GLN 36 2HG GLN 36 -6.070 -8.312 6.943 276 HG3 GLN 36 3HG GLN 36 -6.508 -6.973 5.892 277 HE21 GLN 36 1HE2 GLN 36 -5.998 -5.366 7.350 278 HE22 GLN 36 2HE2 GLN 36 -6.867 -5.094 8.815 279 H GLU 37 H GLU 37 -9.524 -8.980 3.084 280 HA GLU 37 HA GLU 37 -10.965 -11.440 3.485 281 HB2 GLU 37 2HB GLU 37 -11.094 -9.362 1.262 282 HB3 GLU 37 3HB GLU 37 -12.160 -10.767 1.340 283 HG2 GLU 37 2HG GLU 37 -11.997 -8.500 3.360 284 HG3 GLU 37 3HG GLU 37 -13.290 -8.782 2.193 285 H ASP 38 H ASP 38 -8.317 -10.375 1.460 286 HA ASP 38 HA ASP 38 -8.189 -12.784 -0.123 287 HB2 ASP 38 2HB ASP 38 -7.300 -10.581 -0.928 288 HB3 ASP 38 3HB ASP 38 -6.068 -10.636 0.327 289 H GLY 39 H GLY 39 -7.007 -11.777 3.023 290 HA2 GLY 39 2HA GLY 39 -6.907 -13.851 4.464 291 HA3 GLY 39 3HA GLY 39 -5.679 -14.419 3.343 292 H GLY 40 H GLY 40 -4.519 -11.690 3.079 293 HA2 GLY 40 2HA GLY 40 -2.816 -11.821 5.510 294 HA3 GLY 40 3HA GLY 40 -2.336 -11.210 3.933 295 H ASP 41 H ASP 41 -1.722 -9.153 4.412 296 HA ASP 41 HA ASP 41 -3.643 -7.112 4.819 297 HB2 ASP 41 2HB ASP 41 -3.489 -8.098 7.189 298 HB3 ASP 41 3HB ASP 41 -1.823 -7.542 7.238 299 H VAL 42 H VAL 42 -2.554 -4.956 5.079 300 HA VAL 42 HA VAL 42 0.195 -4.895 3.992 301 HB VAL 42 HB VAL 42 -0.377 -2.750 2.808 302 HG11 VAL 42 1HG1 VAL 42 -0.392 -4.864 1.555 303 HG12 VAL 42 2HG1 VAL 42 -1.623 -3.768 0.930 304 HG13 VAL 42 3HG1 VAL 42 -2.089 -5.122 1.967 305 HG21 VAL 42 3HG2 VAL 42 -2.322 -2.030 4.149 306 HG22 VAL 42 1HG2 VAL 42 -3.266 -3.388 3.531 307 HG23 VAL 42 2HG2 VAL 42 -2.733 -2.107 2.436 308 H ILE 43 H ILE 43 1.521 -4.220 5.518 309 HA ILE 43 HA ILE 43 0.624 -2.443 7.696 310 HB ILE 43 HB ILE 43 3.054 -4.284 7.484 311 HG12 ILE 43 2HG1 ILE 43 2.070 -5.322 9.594 312 HG13 ILE 43 3HG1 ILE 43 0.648 -4.310 9.373 313 HG21 ILE 43 1HG2 ILE 43 3.717 -3.555 9.769 314 HG22 ILE 43 2HG2 ILE 43 2.456 -2.318 9.728 315 HG23 ILE 43 3HG2 ILE 43 3.811 -2.239 8.599 316 HD11 ILE 43 3HD1 ILE 43 0.304 -6.594 8.612 317 HD12 ILE 43 1HD1 ILE 43 1.628 -6.422 7.459 318 HD13 ILE 43 2HD1 ILE 43 0.163 -5.451 7.277 319 H TYR 44 H TYR 44 1.117 -0.366 7.493 320 HA TYR 44 HA TYR 44 2.913 0.638 5.506 321 HB2 TYR 44 2HB TYR 44 0.851 1.861 6.137 322 HB3 TYR 44 3HB TYR 44 1.476 2.097 7.764 323 HD1 TYR 44 HD2 TYR 44 2.050 2.989 4.182 324 HD2 TYR 44 HD1 TYR 44 2.949 3.938 8.244 325 HE1 TYR 44 HE2 TYR 44 3.070 5.105 3.469 326 HE2 TYR 44 HE1 TYR 44 3.947 6.039 7.532 327 HH TYR 44 HH TYR 44 4.945 7.016 5.540 328 H LYS 45 H LYS 45 5.008 0.313 5.801 329 HA LYS 45 HA LYS 45 6.290 0.443 8.420 330 HB2 LYS 45 2HB LYS 45 7.258 -0.325 5.643 331 HB3 LYS 45 3HB LYS 45 8.359 -0.188 7.012 332 HG2 LYS 45 2HG LYS 45 5.946 -2.040 6.968 333 HG3 LYS 45 3HG LYS 45 7.584 -2.533 6.506 334 HD2 LYS 45 2HD LYS 45 8.368 -1.822 8.809 335 HD3 LYS 45 3HD LYS 45 6.677 -1.528 9.241 336 HE2 LYS 45 2HE LYS 45 6.137 -3.858 8.987 337 HE3 LYS 45 3HE LYS 45 7.713 -4.215 8.275 338 HZ1 LYS 45 3HZ LYS 45 7.691 -4.918 10.545 339 HZ2 LYS 45 1HZ LYS 45 7.173 -3.399 11.079 340 HZ3 LYS 45 2HZ LYS 45 8.714 -3.582 10.419 341 H GLY 46 H GLY 46 6.276 2.227 5.314 342 HA2 GLY 46 2HA GLY 46 7.017 4.687 6.540 343 HA3 GLY 46 3HA GLY 46 8.443 3.938 5.835 344 H PHE 47 H PHE 47 8.188 6.148 4.844 345 HA PHE 47 HA PHE 47 7.394 5.843 2.078 346 HB2 PHE 47 2HB PHE 47 5.296 6.696 2.990 347 HB3 PHE 47 3HB PHE 47 6.132 7.932 3.913 348 HD1 PHE 47 HD2 PHE 47 5.691 6.852 0.333 349 HD2 PHE 47 HD1 PHE 47 6.042 10.115 3.079 350 HE1 PHE 47 HE2 PHE 47 5.248 8.441 -1.487 351 HE2 PHE 47 HE1 PHE 47 5.601 11.692 1.253 352 HZ PHE 47 HZ PHE 47 5.208 10.858 -1.036 353 H GLU 48 H GLU 48 9.326 6.316 1.271 354 HA GLU 48 HA GLU 48 10.706 8.820 1.924 355 HB2 GLU 48 2HB GLU 48 12.105 6.094 1.982 356 HB3 GLU 48 3HB GLU 48 12.940 7.637 1.959 357 HG2 GLU 48 2HG GLU 48 13.085 7.163 4.207 358 HG3 GLU 48 3HG GLU 48 11.566 8.060 4.193 359 H ASP 49 H ASP 49 11.497 9.724 0.098 360 HA ASP 49 HA ASP 49 12.040 10.143 -2.053 361 HB2 ASP 49 2HB ASP 49 13.732 8.297 -1.521 362 HB3 ASP 49 3HB ASP 49 12.645 7.170 -2.310 363 H GLY 50 H GLY 50 9.340 9.455 -1.314 364 HA2 GLY 50 2HA GLY 50 7.300 9.407 -2.374 365 HA3 GLY 50 3HA GLY 50 8.120 9.179 -3.909 366 H ILE 51 H ILE 51 9.270 6.856 -1.871 367 HA ILE 51 HA ILE 51 7.617 4.796 -3.138 368 HB ILE 51 HB ILE 51 10.282 4.540 -1.667 369 HG12 ILE 51 2HG1 ILE 51 10.606 5.850 -3.718 370 HG13 ILE 51 3HG1 ILE 51 11.298 4.250 -3.947 371 HG21 ILE 51 1HG2 ILE 51 8.793 2.513 -3.364 372 HG22 ILE 51 2HG2 ILE 51 9.013 2.448 -1.615 373 HG23 ILE 51 3HG2 ILE 51 10.409 2.286 -2.685 374 HD11 ILE 51 3HD1 ILE 51 8.672 5.249 -5.039 375 HD12 ILE 51 1HD1 ILE 51 9.314 3.614 -5.261 376 HD13 ILE 51 2HD1 ILE 51 10.176 5.003 -5.925 377 H VAL 52 H VAL 52 5.921 4.260 -1.961 378 HA VAL 52 HA VAL 52 5.748 4.485 0.915 379 HB VAL 52 HB VAL 52 3.736 3.250 -1.031 380 HG11 VAL 52 1HG1 VAL 52 3.343 4.304 1.795 381 HG12 VAL 52 2HG1 VAL 52 3.324 2.609 1.306 382 HG13 VAL 52 3HG1 VAL 52 2.063 3.701 0.734 383 HG21 VAL 52 3HG2 VAL 52 2.586 5.421 -1.046 384 HG22 VAL 52 1HG2 VAL 52 4.231 5.588 -1.663 385 HG23 VAL 52 2HG2 VAL 52 3.841 6.115 -0.023 386 H GLN 53 H GLN 53 6.865 2.977 2.028 387 HA GLN 53 HA GLN 53 7.353 0.325 0.913 388 HB2 GLN 53 2HB GLN 53 8.457 1.762 3.358 389 HB3 GLN 53 3HB GLN 53 8.925 0.126 2.885 390 HG2 GLN 53 2HG GLN 53 9.762 1.007 0.717 391 HG3 GLN 53 3HG GLN 53 9.296 2.635 1.212 392 HE21 GLN 53 1HE2 GLN 53 11.407 3.379 0.981 393 HE22 GLN 53 2HE2 GLN 53 12.661 2.986 2.104 394 H LEU 54 H LEU 54 5.921 -1.179 1.257 395 HA LEU 54 HA LEU 54 4.333 -1.283 3.740 396 HB2 LEU 54 2HB LEU 54 3.506 -2.154 0.940 397 HB3 LEU 54 3HB LEU 54 2.527 -2.321 2.395 398 HG LEU 54 HG LEU 54 3.334 0.281 1.037 399 HD11 LEU 54 1HD1 LEU 54 1.577 -0.892 -0.151 400 HD12 LEU 54 2HD1 LEU 54 0.943 0.561 0.618 401 HD13 LEU 54 3HD1 LEU 54 0.621 -1.026 1.329 402 HD21 LEU 54 3HD2 LEU 54 3.327 0.624 3.431 403 HD22 LEU 54 1HD2 LEU 54 1.731 -0.125 3.573 404 HD23 LEU 54 2HD2 LEU 54 1.924 1.404 2.708 405 H LYS 55 H LYS 55 4.412 -3.114 4.815 406 HA LYS 55 HA LYS 55 5.838 -5.459 3.858 407 HB2 LYS 55 2HB LYS 55 6.261 -4.737 6.135 408 HB3 LYS 55 3HB LYS 55 4.539 -4.714 6.503 409 HG2 LYS 55 2HG LYS 55 4.454 -7.171 6.280 410 HG3 LYS 55 3HG LYS 55 6.187 -7.196 5.911 411 HD2 LYS 55 2HD LYS 55 6.637 -6.186 8.145 412 HD3 LYS 55 3HD LYS 55 4.906 -6.234 8.499 413 HE2 LYS 55 2HE LYS 55 4.921 -8.654 8.414 414 HE3 LYS 55 3HE LYS 55 6.614 -8.663 7.896 415 HZ1 LYS 55 3HZ LYS 55 5.576 -7.687 10.504 416 HZ2 LYS 55 1HZ LYS 55 7.187 -7.604 10.010 417 HZ3 LYS 55 2HZ LYS 55 6.452 -9.103 10.240 418 H LEU 56 H LEU 56 4.751 -7.109 2.874 419 HA LEU 56 HA LEU 56 1.805 -7.226 3.034 420 HB2 LEU 56 2HB LEU 56 3.649 -8.838 1.223 421 HB3 LEU 56 3HB LEU 56 1.896 -8.728 1.115 422 HG LEU 56 HG LEU 56 3.932 -6.563 0.460 423 HD11 LEU 56 1HD1 LEU 56 2.998 -6.676 -1.794 424 HD12 LEU 56 2HD1 LEU 56 1.907 -7.973 -1.292 425 HD13 LEU 56 3HD1 LEU 56 3.655 -8.228 -1.280 426 HD21 LEU 56 3HD2 LEU 56 0.915 -6.277 0.534 427 HD22 LEU 56 1HD2 LEU 56 2.046 -5.105 -0.153 428 HD23 LEU 56 2HD2 LEU 56 2.089 -5.458 1.570 429 H GLN 57 H GLN 57 0.746 -8.975 3.909 430 HA GLN 57 HA GLN 57 2.329 -10.791 5.622 431 HB2 GLN 57 2HB GLN 57 -0.594 -9.961 5.625 432 HB3 GLN 57 3HB GLN 57 -0.022 -11.311 6.597 433 HG2 GLN 57 2HG GLN 57 0.989 -8.465 6.823 434 HG3 GLN 57 3HG GLN 57 -0.230 -9.194 7.867 435 HE21 GLN 57 1HE2 GLN 57 2.385 -8.082 8.565 436 HE22 GLN 57 2HE2 GLN 57 3.238 -9.346 9.376 437 H GLY 58 H GLY 58 1.217 -13.003 5.970 438 HA2 GLY 58 2HA GLY 58 1.663 -14.612 3.745 439 HA3 GLY 58 3HA GLY 58 0.838 -15.119 5.208 440 H SER 59 H SER 59 0.275 -16.014 2.551 441 HA SER 59 HA SER 59 -1.437 -16.611 1.239 442 HB2 SER 59 2HB SER 59 -3.243 -14.837 2.931 443 HB3 SER 59 3HB SER 59 -3.794 -15.986 1.704 444 HG SER 59 HG SER 59 -3.674 -17.460 3.177 445 H CYS 60 H CYS 60 -0.996 -13.165 1.805 446 HA CYS 60 HA CYS 60 -1.869 -12.420 -0.876 447 HB2 CYS 60 2HB CYS 60 -0.608 -10.744 1.330 448 HB3 CYS 60 3HB CYS 60 -1.390 -10.132 -0.136 449 HG CYS 60 HG CYS 60 -3.815 -11.653 0.810 450 H THR 61 H THR 61 1.092 -12.797 1.029 451 HA THR 61 HA THR 61 2.818 -11.922 -1.172 452 HB THR 61 HB THR 61 3.230 -11.079 1.152 453 HG1 THR 61 HG1 THR 61 5.434 -12.646 0.293 454 HG21 THR 61 3HG2 THR 61 4.137 -13.918 1.756 455 HG22 THR 61 1HG2 THR 61 2.714 -13.130 2.445 456 HG23 THR 61 2HG2 THR 61 4.328 -12.519 2.815 457 H SER 62 H SER 62 1.381 -14.797 -0.411 458 HA SER 62 HA SER 62 3.478 -16.697 -0.499 459 HB2 SER 62 2HB SER 62 0.571 -17.041 -1.353 460 HB3 SER 62 3HB SER 62 1.707 -18.350 -1.002 461 HG SER 62 HG SER 62 0.714 -18.097 0.880 462 H CYS 63 H CYS 63 1.445 -15.281 -3.051 463 HA CYS 63 HA CYS 63 3.012 -16.613 -5.168 464 HB2 CYS 63 2HB CYS 63 0.415 -15.033 -5.416 465 HB3 CYS 63 3HB CYS 63 1.156 -16.064 -6.645 466 HG CYS 63 HG CYS 63 0.054 -17.283 -3.644 467 HA PRO 64 HA PRO 64 5.247 -12.571 -5.760 468 HB2 PRO 64 2HB PRO 64 5.881 -14.090 -8.299 469 HB3 PRO 64 3HB PRO 64 6.961 -13.132 -7.255 470 HG2 PRO 64 2HG PRO 64 7.034 -15.777 -7.104 471 HG3 PRO 64 3HG PRO 64 7.096 -14.799 -5.619 472 HD2 PRO 64 2HD PRO 64 4.786 -16.367 -6.741 473 HD3 PRO 64 3HD PRO 64 5.279 -16.140 -5.048 474 H SER 65 H SER 65 3.175 -14.253 -8.098 475 HA SER 65 HA SER 65 2.598 -12.228 -9.924 476 HB2 SER 65 2HB SER 65 0.635 -14.330 -8.907 477 HB3 SER 65 3HB SER 65 0.621 -13.531 -10.486 478 HG SER 65 HG SER 65 2.962 -14.583 -10.371 479 H SER 66 H SER 66 1.005 -13.057 -6.857 480 HA SER 66 HA SER 66 -1.034 -11.092 -6.901 481 HB2 SER 66 2HB SER 66 -1.207 -13.165 -5.582 482 HB3 SER 66 3HB SER 66 0.142 -12.654 -4.564 483 HG SER 66 HG SER 66 -1.131 -11.265 -3.549 484 H ILE 67 H ILE 67 2.255 -11.196 -5.560 485 HA ILE 67 HA ILE 67 2.204 -8.874 -3.973 486 HB ILE 67 HB ILE 67 4.531 -10.195 -5.447 487 HG12 ILE 67 2HG1 ILE 67 3.673 -10.414 -2.519 488 HG13 ILE 67 3HG1 ILE 67 3.410 -11.640 -3.752 489 HG21 ILE 67 1HG2 ILE 67 5.130 -7.874 -4.949 490 HG22 ILE 67 2HG2 ILE 67 6.043 -8.968 -3.911 491 HG23 ILE 67 3HG2 ILE 67 4.658 -8.089 -3.261 492 HD11 ILE 67 3HD1 ILE 67 6.094 -10.724 -2.710 493 HD12 ILE 67 1HD1 ILE 67 5.835 -11.935 -3.971 494 HD13 ILE 67 2HD1 ILE 67 5.267 -12.235 -2.329 495 H ILE 68 H ILE 68 3.126 -9.360 -7.382 496 HA ILE 68 HA ILE 68 3.916 -6.738 -8.013 497 HB ILE 68 HB ILE 68 2.791 -8.933 -9.819 498 HG12 ILE 68 2HG1 ILE 68 5.705 -8.127 -9.350 499 HG13 ILE 68 3HG1 ILE 68 4.914 -9.486 -8.562 500 HG21 ILE 68 1HG2 ILE 68 4.285 -6.413 -10.639 501 HG22 ILE 68 2HG2 ILE 68 2.583 -6.760 -10.949 502 HG23 ILE 68 3HG2 ILE 68 3.831 -7.737 -11.720 503 HD11 ILE 68 3HD1 ILE 68 6.271 -10.252 -10.394 504 HD12 ILE 68 1HD1 ILE 68 5.421 -9.196 -11.524 505 HD13 ILE 68 2HD1 ILE 68 4.571 -10.541 -10.757 506 H THR 69 H THR 69 0.759 -8.386 -8.462 507 HA THR 69 HA THR 69 -0.616 -6.235 -9.690 508 HB THR 69 HB THR 69 -1.787 -8.583 -8.131 509 HG1 THR 69 HG1 THR 69 -0.280 -8.761 -10.172 510 HG21 THR 69 3HG2 THR 69 -3.471 -6.810 -8.602 511 HG22 THR 69 1HG2 THR 69 -3.796 -8.273 -9.536 512 HG23 THR 69 2HG2 THR 69 -3.052 -6.874 -10.315 513 H LEU 70 H LEU 70 -0.346 -7.276 -6.296 514 HA LEU 70 HA LEU 70 -2.279 -5.520 -5.200 515 HB2 LEU 70 2HB LEU 70 -1.458 -7.576 -4.051 516 HB3 LEU 70 3HB LEU 70 0.113 -6.826 -3.837 517 HG LEU 70 HG LEU 70 -0.866 -5.132 -2.321 518 HD11 LEU 70 1HD1 LEU 70 -3.499 -6.559 -2.765 519 HD12 LEU 70 2HD1 LEU 70 -3.077 -4.923 -3.283 520 HD13 LEU 70 3HD1 LEU 70 -3.196 -5.294 -1.567 521 HD21 LEU 70 3HD2 LEU 70 -0.028 -7.211 -1.326 522 HD22 LEU 70 1HD2 LEU 70 -1.616 -7.962 -1.509 523 HD23 LEU 70 2HD2 LEU 70 -1.401 -6.591 -0.415 524 H LYS 71 H LYS 71 1.291 -5.353 -5.326 525 HA LYS 71 HA LYS 71 1.702 -2.857 -4.141 526 HB2 LYS 71 2HB LYS 71 3.481 -4.460 -4.398 527 HB3 LYS 71 3HB LYS 71 3.318 -4.469 -6.143 528 HG2 LYS 71 2HG LYS 71 4.101 -1.893 -4.798 529 HG3 LYS 71 3HG LYS 71 5.304 -3.178 -4.894 530 HD2 LYS 71 2HD LYS 71 3.874 -1.873 -7.259 531 HD3 LYS 71 3HD LYS 71 5.548 -1.593 -6.765 532 HE2 LYS 71 2HE LYS 71 6.062 -3.974 -7.244 533 HE3 LYS 71 3HE LYS 71 4.397 -4.225 -7.777 534 HZ1 LYS 71 3HZ LYS 71 5.905 -3.863 -9.632 535 HZ2 LYS 71 1HZ LYS 71 6.345 -2.355 -9.013 536 HZ3 LYS 71 2HZ LYS 71 4.766 -2.619 -9.540 537 H ASN 72 H ASN 72 1.170 -3.700 -7.560 538 HA ASN 72 HA ASN 72 1.499 -1.075 -8.615 539 HB2 ASN 72 2HB ASN 72 0.222 -3.583 -9.756 540 HB3 ASN 72 3HB ASN 72 0.231 -2.067 -10.652 541 HD21 ASN 72 1HD2 ASN 72 1.503 -4.651 -11.209 542 HD22 ASN 72 2HD2 ASN 72 3.170 -4.292 -11.476 543 H GLY 73 H GLY 73 -1.340 -2.911 -7.580 544 HA2 GLY 73 2HA GLY 73 -3.365 -1.131 -8.369 545 HA3 GLY 73 3HA GLY 73 -3.481 -2.311 -7.077 546 H ILE 74 H ILE 74 -1.567 -1.420 -5.340 547 HA ILE 74 HA ILE 74 -2.810 0.718 -3.940 548 HB ILE 74 HB ILE 74 -0.090 -0.613 -3.494 549 HG12 ILE 74 2HG1 ILE 74 -2.742 -1.115 -2.049 550 HG13 ILE 74 3HG1 ILE 74 -2.092 -2.140 -3.324 551 HG21 ILE 74 1HG2 ILE 74 -0.142 1.586 -2.408 552 HG22 ILE 74 2HG2 ILE 74 -0.196 0.309 -1.195 553 HG23 ILE 74 3HG2 ILE 74 -1.667 1.189 -1.615 554 HD11 ILE 74 3HD1 ILE 74 -1.675 -3.104 -1.148 555 HD12 ILE 74 1HD1 ILE 74 -0.809 -1.655 -0.631 556 HD13 ILE 74 2HD1 ILE 74 -0.155 -2.667 -1.924 557 H GLN 75 H GLN 75 0.044 0.488 -6.070 558 HA GLN 75 HA GLN 75 1.126 3.052 -5.647 559 HB2 GLN 75 2HB GLN 75 2.418 1.328 -6.824 560 HB3 GLN 75 3HB GLN 75 1.257 1.317 -8.149 561 HG2 GLN 75 2HG GLN 75 1.849 3.713 -8.615 562 HG3 GLN 75 3HG GLN 75 3.084 3.609 -7.367 563 HE21 GLN 75 1HE2 GLN 75 4.659 4.163 -8.909 564 HE22 GLN 75 2HE2 GLN 75 5.229 3.019 -10.068 565 H ASN 76 H ASN 76 -0.997 1.938 -8.324 566 HA ASN 76 HA ASN 76 -1.442 4.443 -9.496 567 HB2 ASN 76 2HB ASN 76 -3.047 1.864 -9.624 568 HB3 ASN 76 3HB ASN 76 -3.526 3.303 -10.527 569 HD21 ASN 76 1HD2 ASN 76 -1.281 0.662 -10.356 570 HD22 ASN 76 2HD2 ASN 76 -0.492 0.965 -11.857 571 H MET 77 H MET 77 -3.092 2.844 -6.831 572 HA MET 77 HA MET 77 -5.298 4.614 -6.571 573 HB2 MET 77 2HB MET 77 -5.193 2.380 -5.503 574 HB3 MET 77 3HB MET 77 -3.899 2.933 -4.450 575 HG2 MET 77 2HG MET 77 -6.571 4.322 -4.437 576 HG3 MET 77 3HG MET 77 -6.334 2.831 -3.537 577 HE1 MET 77 3HE MET 77 -5.012 2.624 -1.330 578 HE2 MET 77 1HE MET 77 -3.827 3.809 -0.779 579 HE3 MET 77 2HE MET 77 -3.552 2.921 -2.277 580 H LEU 78 H LEU 78 -2.152 4.525 -4.848 581 HA LEU 78 HA LEU 78 -2.604 6.879 -3.320 582 HB2 LEU 78 2HB LEU 78 -0.125 5.229 -3.887 583 HB3 LEU 78 3HB LEU 78 -0.055 6.675 -2.891 584 HG LEU 78 HG LEU 78 -1.790 4.257 -2.258 585 HD11 LEU 78 1HD1 LEU 78 0.595 3.686 -2.127 586 HD12 LEU 78 2HD1 LEU 78 -0.186 3.670 -0.547 587 HD13 LEU 78 3HD1 LEU 78 0.846 5.027 -1.005 588 HD21 LEU 78 3HD2 LEU 78 -1.100 6.689 -0.580 589 HD22 LEU 78 1HD2 LEU 78 -2.038 5.287 -0.044 590 HD23 LEU 78 2HD2 LEU 78 -2.669 6.333 -1.313 591 H GLN 79 H GLN 79 -1.261 6.337 -6.501 592 HA GLN 79 HA GLN 79 -0.082 8.956 -6.784 593 HB2 GLN 79 2HB GLN 79 -0.554 6.739 -8.801 594 HB3 GLN 79 3HB GLN 79 0.188 8.284 -9.220 595 HG2 GLN 79 2HG GLN 79 1.979 7.829 -7.551 596 HG3 GLN 79 3HG GLN 79 1.267 6.246 -7.250 597 HE21 GLN 79 1HE2 GLN 79 3.927 6.968 -8.268 598 HE22 GLN 79 2HE2 GLN 79 4.089 6.164 -9.789 599 H PHE 80 H PHE 80 -3.184 7.526 -7.287 600 HA PHE 80 HA PHE 80 -4.305 9.481 -9.040 601 HB2 PHE 80 2HB PHE 80 -5.324 7.240 -8.720 602 HB3 PHE 80 3HB PHE 80 -5.646 7.611 -7.035 603 HD1 PHE 80 HD1 PHE 80 -6.489 8.705 -10.517 604 HD2 PHE 80 HD2 PHE 80 -7.729 8.610 -6.413 605 HE1 PHE 80 HE1 PHE 80 -8.697 9.588 -11.152 606 HE2 PHE 80 HE2 PHE 80 -9.925 9.498 -7.064 607 HZ PHE 80 HZ PHE 80 -10.415 9.986 -9.428 608 H TYR 81 H TYR 81 -4.274 9.046 -5.508 609 HA TYR 81 HA TYR 81 -5.762 11.497 -5.021 610 HB2 TYR 81 2HB TYR 81 -4.533 9.477 -3.101 611 HB3 TYR 81 3HB TYR 81 -5.535 10.838 -2.607 612 HD1 TYR 81 HD1 TYR 81 -7.944 10.934 -3.722 613 HD2 TYR 81 HD2 TYR 81 -5.587 7.380 -3.446 614 HE1 TYR 81 HE1 TYR 81 -9.972 9.570 -3.960 615 HE2 TYR 81 HE2 TYR 81 -7.611 6.012 -3.690 616 HH TYR 81 HH TYR 81 -10.649 7.351 -4.620 617 H ILE 82 H ILE 82 -2.404 10.425 -4.896 618 HA ILE 82 HA ILE 82 -1.490 13.037 -3.833 619 HB ILE 82 HB ILE 82 -0.391 10.315 -2.977 620 HG12 ILE 82 2HG1 ILE 82 -2.010 12.281 -1.277 621 HG13 ILE 82 3HG1 ILE 82 -2.655 10.808 -1.994 622 HG21 ILE 82 1HG2 ILE 82 0.994 11.573 -1.362 623 HG22 ILE 82 2HG2 ILE 82 0.353 13.094 -1.992 624 HG23 ILE 82 3HG2 ILE 82 1.340 12.058 -3.024 625 HD11 ILE 82 3HD1 ILE 82 -1.093 9.478 -0.657 626 HD12 ILE 82 1HD1 ILE 82 -2.163 10.465 0.336 627 HD13 ILE 82 2HD1 ILE 82 -0.485 10.956 0.097 628 HA PRO 83 HA PRO 83 1.120 12.373 -7.546 629 HB2 PRO 83 2HB PRO 83 2.073 14.906 -7.822 630 HB3 PRO 83 3HB PRO 83 0.372 14.512 -8.173 631 HG2 PRO 83 2HG PRO 83 1.545 15.750 -5.688 632 HG3 PRO 83 3HG PRO 83 0.094 16.226 -6.602 633 HD2 PRO 83 2HD PRO 83 -0.009 14.685 -4.323 634 HD3 PRO 83 3HD PRO 83 -1.231 14.598 -5.609 635 H GLU 84 H GLU 84 2.151 13.099 -4.351 636 HA GLU 84 HA GLU 84 4.962 13.413 -4.788 637 HB2 GLU 84 2HB GLU 84 3.650 12.456 -2.209 638 HB3 GLU 84 3HB GLU 84 5.200 13.279 -2.387 639 HG2 GLU 84 2HG GLU 84 2.434 14.471 -2.798 640 HG3 GLU 84 3HG GLU 84 3.531 14.786 -1.452 641 H VAL 85 H VAL 85 2.841 10.678 -4.346 642 HA VAL 85 HA VAL 85 4.740 8.696 -3.639 643 HB VAL 85 HB VAL 85 1.977 8.407 -4.915 644 HG11 VAL 85 1HG1 VAL 85 3.678 6.279 -3.546 645 HG12 VAL 85 2HG1 VAL 85 3.292 6.349 -5.269 646 HG13 VAL 85 3HG1 VAL 85 2.009 6.067 -4.092 647 HG21 VAL 85 3HG2 VAL 85 1.932 9.550 -2.725 648 HG22 VAL 85 1HG2 VAL 85 2.830 8.217 -1.995 649 HG23 VAL 85 2HG2 VAL 85 1.196 7.954 -2.613 650 H GLU 86 H GLU 86 6.460 8.518 -4.999 651 HA GLU 86 HA GLU 86 6.397 8.358 -7.842 652 HB2 GLU 86 2HB GLU 86 8.463 7.556 -5.762 653 HB3 GLU 86 3HB GLU 86 8.740 7.319 -7.488 654 HG2 GLU 86 2HG GLU 86 8.204 9.984 -6.139 655 HG3 GLU 86 3HG GLU 86 9.794 9.384 -6.615 656 H GLY 87 H GLY 87 6.096 6.012 -5.257 657 HA2 GLY 87 2HA GLY 87 4.833 4.057 -6.838 658 HA3 GLY 87 3HA GLY 87 6.542 3.647 -6.687 659 H VAL 88 H VAL 88 5.297 1.793 -5.748 660 HA VAL 88 HA VAL 88 5.326 2.012 -2.804 661 HB VAL 88 HB VAL 88 3.401 0.338 -4.509 662 HG11 VAL 88 1HG1 VAL 88 4.117 -1.020 -2.591 663 HG12 VAL 88 2HG1 VAL 88 2.434 -0.528 -2.393 664 HG13 VAL 88 3HG1 VAL 88 3.708 0.292 -1.481 665 HG21 VAL 88 3HG2 VAL 88 2.817 2.546 -2.497 666 HG22 VAL 88 1HG2 VAL 88 1.606 1.623 -3.394 667 HG23 VAL 88 2HG2 VAL 88 2.714 2.695 -4.252 668 H GLU 89 H GLU 89 6.407 0.303 -1.793 669 HA GLU 89 HA GLU 89 7.678 -1.760 -3.492 670 HB2 GLU 89 2HB GLU 89 9.353 0.012 -3.011 671 HB3 GLU 89 3HB GLU 89 9.051 -0.154 -1.282 672 HG2 GLU 89 2HG GLU 89 9.890 -2.503 -1.388 673 HG3 GLU 89 3HG GLU 89 10.226 -2.281 -3.110 674 H GLN 90 H GLN 90 7.651 -3.787 -2.602 675 HA GLN 90 HA GLN 90 6.413 -4.233 -0.010 676 HB2 GLN 90 2HB GLN 90 5.980 -5.843 -1.850 677 HB3 GLN 90 3HB GLN 90 7.706 -6.192 -1.955 678 HG2 GLN 90 2HG GLN 90 7.572 -6.967 0.483 679 HG3 GLN 90 3HG GLN 90 5.820 -6.852 0.326 680 HE21 GLN 90 1HE2 GLN 90 5.556 -9.064 0.680 681 HE22 GLN 90 2HE2 GLN 90 5.990 -10.242 -0.503 682 H VAL 91 H VAL 91 7.683 -3.829 1.728 683 HA VAL 91 HA VAL 91 10.486 -4.749 1.773 684 HB VAL 91 HB VAL 91 10.494 -3.604 4.096 685 HG11 VAL 91 1HG1 VAL 91 10.875 -1.348 3.141 686 HG12 VAL 91 2HG1 VAL 91 10.103 -1.856 1.636 687 HG13 VAL 91 3HG1 VAL 91 11.614 -2.609 2.148 688 HG21 VAL 91 3HG2 VAL 91 8.818 -1.826 4.490 689 HG22 VAL 91 1HG2 VAL 91 8.046 -3.412 4.422 690 HG23 VAL 91 2HG2 VAL 91 7.940 -2.318 3.039 691 H MET 92 H MET 92 10.658 -6.839 2.262 692 HA MET 92 HA MET 92 8.689 -8.266 3.834 693 HB2 MET 92 2HB MET 92 11.358 -9.211 2.696 694 HB3 MET 92 3HB MET 92 10.196 -10.248 3.518 695 HG2 MET 92 2HG MET 92 8.544 -9.797 1.739 696 HG3 MET 92 3HG MET 92 9.727 -8.779 0.910 697 HE1 MET 92 3HE MET 92 12.465 -10.426 1.333 698 HE2 MET 92 1HE MET 92 12.001 -9.772 -0.239 699 HE3 MET 92 2HE MET 92 12.476 -11.467 -0.090 700 H ASP 93 H ASP 93 8.798 -8.675 5.922 701 HA ASP 93 HA ASP 93 11.237 -8.106 7.476 702 HB2 ASP 93 2HB ASP 93 9.998 -6.019 7.541 703 HB3 ASP 93 3HB ASP 93 8.489 -6.855 7.887 704 H ASP 94 H ASP 94 11.594 -10.106 8.185 705 HA ASP 94 HA ASP 94 9.556 -11.995 8.893 706 HB2 ASP 94 2HB ASP 94 11.456 -13.411 9.636 707 HB3 ASP 94 3HB ASP 94 11.669 -12.780 8.008 708 H GLU 95 H GLU 95 9.607 -13.100 11.139 709 HA GLU 95 HA GLU 95 9.185 -10.894 13.086 710 HB2 GLU 95 2HB GLU 95 7.862 -13.611 13.294 711 HB3 GLU 95 3HB GLU 95 7.329 -12.062 13.950 712 HG2 GLU 95 2HG GLU 95 7.328 -12.792 11.002 713 HG3 GLU 95 3HG GLU 95 5.950 -12.981 12.076 714 H SER 96 H SER 96 9.682 -14.435 13.239 715 HA SER 96 HA SER 96 11.425 -14.112 15.619 716 HB2 SER 96 2HB SER 96 9.509 -16.383 14.924 717 HB3 SER 96 3HB SER 96 10.444 -16.240 16.416 718 HG SER 96 HG SER 96 9.001 -13.998 16.023 719 H ASP 97 H ASP 97 12.083 -14.282 12.693 720 HA ASP 97 HA ASP 97 13.225 -16.946 12.295 721 HB2 ASP 97 2HB ASP 97 13.052 -14.551 10.412 722 HB3 ASP 97 3HB ASP 97 13.592 -16.169 9.967 Start of MODEL 8 1 H1 MET 1 1H MET 1 10.712 10.418 20.496 2 H2 MET 1 2H MET 1 10.235 10.605 22.104 3 H3 MET 1 3H MET 1 9.184 11.043 20.856 4 HA MET 1 HA MET 1 8.563 8.940 21.886 5 HB2 MET 1 2HB MET 1 9.573 8.493 19.044 6 HB3 MET 1 3HB MET 1 8.236 7.669 19.835 7 HG2 MET 1 2HG MET 1 7.330 9.206 18.259 8 HG3 MET 1 3HG MET 1 7.003 9.851 19.869 9 HE1 MET 1 3HE MET 1 6.914 11.392 16.967 10 HE2 MET 1 1HE MET 1 7.635 12.954 17.354 11 HE3 MET 1 2HE MET 1 6.440 12.245 18.437 12 H GLY 2 H GLY 2 9.081 6.597 22.031 13 HA2 GLY 2 2HA GLY 2 11.050 5.055 21.293 14 HA3 GLY 2 3HA GLY 2 11.963 6.069 22.401 15 H HIS 3 H HIS 3 9.955 6.389 24.395 16 HA HIS 3 HA HIS 3 10.674 4.026 25.896 17 HB2 HIS 3 2HB HIS 3 10.555 6.603 26.642 18 HB3 HIS 3 3HB HIS 3 8.906 6.184 27.079 19 HD1 HIS 3 HD1 HIS 3 8.602 4.850 29.265 20 HD2 HIS 3 HD2 HIS 3 12.587 5.252 28.144 21 HE1 HIS 3 HE1 HIS 3 9.947 4.054 31.231 22 HE2 HIS 3 HE2 HIS 3 12.336 4.484 30.592 23 H HIS 4 H HIS 4 7.647 5.391 24.603 24 HA HIS 4 HA HIS 4 6.367 2.754 25.018 25 HB2 HIS 4 2HB HIS 4 5.220 5.464 25.752 26 HB3 HIS 4 3HB HIS 4 4.133 4.189 25.222 27 HD1 HIS 4 HD1 HIS 4 5.469 5.558 28.235 28 HD2 HIS 4 HD2 HIS 4 4.568 1.719 26.911 29 HE1 HIS 4 HE1 HIS 4 5.210 4.163 30.312 30 HE2 HIS 4 HE2 HIS 4 4.489 1.900 29.476 31 H HIS 5 H HIS 5 5.588 5.879 23.433 32 HA HIS 5 HA HIS 5 4.540 4.729 21.059 33 HB2 HIS 5 2HB HIS 5 5.600 7.538 21.615 34 HB3 HIS 5 3HB HIS 5 4.798 7.074 20.115 35 HD1 HIS 5 HD1 HIS 5 4.093 8.324 23.469 36 HD2 HIS 5 HD2 HIS 5 2.016 6.212 20.549 37 HE1 HIS 5 HE1 HIS 5 1.667 8.503 24.102 38 HE2 HIS 5 HE2 HIS 5 0.437 7.254 22.292 39 H HIS 6 H HIS 6 5.571 3.914 19.341 40 HA HIS 6 HA HIS 6 8.381 3.383 19.609 41 HB2 HIS 6 2HB HIS 6 6.262 2.418 17.664 42 HB3 HIS 6 3HB HIS 6 7.958 2.005 17.445 43 HD1 HIS 6 HD1 HIS 6 8.638 -0.119 18.503 44 HD2 HIS 6 HD2 HIS 6 5.350 1.543 20.418 45 HE1 HIS 6 HE1 HIS 6 7.981 -1.778 20.269 46 HE2 HIS 6 HE2 HIS 6 5.841 -0.858 21.222 47 H HIS 7 H HIS 7 10.014 3.835 18.250 48 HA HIS 7 HA HIS 7 9.691 5.794 16.067 49 HB2 HIS 7 2HB HIS 7 10.255 7.008 18.220 50 HB3 HIS 7 3HB HIS 7 11.722 6.054 18.344 51 HD1 HIS 7 HD1 HIS 7 13.686 7.422 17.687 52 HD2 HIS 7 HD2 HIS 7 10.318 8.448 15.473 53 HE1 HIS 7 HE1 HIS 7 14.397 9.336 16.221 54 HE2 HIS 7 HE2 HIS 7 12.288 10.069 15.070 55 H HIS 8 H HIS 8 9.949 3.800 14.887 56 HA HIS 8 HA HIS 8 12.354 2.224 15.028 57 HB2 HIS 8 2HB HIS 8 10.279 1.142 14.305 58 HB3 HIS 8 3HB HIS 8 10.103 2.265 12.961 59 HD1 HIS 8 HD1 HIS 8 10.947 1.427 10.790 60 HD2 HIS 8 HD2 HIS 8 12.785 -0.526 13.962 61 HE1 HIS 8 HE1 HIS 8 12.485 -0.246 9.747 62 HE2 HIS 8 HE2 HIS 8 13.375 -1.575 11.679 63 H SER 9 H SER 9 11.147 4.837 13.004 64 HA SER 9 HA SER 9 13.596 4.959 11.409 65 HB2 SER 9 2HB SER 9 11.335 5.376 10.383 66 HB3 SER 9 3HB SER 9 11.161 6.806 11.400 67 HG SER 9 HG SER 9 12.187 6.784 9.066 68 H HIS 10 H HIS 10 14.519 7.228 11.166 69 HA HIS 10 HA HIS 10 14.370 8.984 13.513 70 HB2 HIS 10 2HB HIS 10 16.823 9.116 13.776 71 HB3 HIS 10 3HB HIS 10 16.276 7.469 14.050 72 HD1 HIS 10 HD1 HIS 10 17.035 5.666 12.357 73 HD2 HIS 10 HD2 HIS 10 18.522 9.462 11.543 74 HE1 HIS 10 HE1 HIS 10 18.868 5.336 10.668 75 HE2 HIS 10 HE2 HIS 10 19.634 7.661 10.080 76 H MET 11 H MET 11 13.451 8.964 10.769 77 HA MET 11 HA MET 11 15.156 10.189 8.915 78 HB2 MET 11 2HB MET 11 13.217 10.363 7.463 79 HB3 MET 11 3HB MET 11 13.158 8.834 8.317 80 HG2 MET 11 2HG MET 11 11.483 11.280 8.918 81 HG3 MET 11 3HG MET 11 10.938 9.794 8.138 82 HE1 MET 11 3HE MET 11 9.362 11.042 10.568 83 HE2 MET 11 1HE MET 11 9.089 9.630 11.589 84 HE3 MET 11 2HE MET 11 8.902 9.500 9.841 85 H GLY 12 H GLY 12 12.903 11.622 11.219 86 HA2 GLY 12 2HA GLY 12 12.604 13.779 11.946 87 HA3 GLY 12 3HA GLY 12 14.127 14.185 11.171 88 H SER 13 H SER 13 11.570 12.835 9.255 89 HA SER 13 HA SER 13 11.517 15.164 7.542 90 HB2 SER 13 2HB SER 13 10.099 12.479 7.300 91 HB3 SER 13 3HB SER 13 10.190 13.705 6.035 92 HG SER 13 HG SER 13 12.472 13.431 6.074 93 H GLU 14 H GLU 14 10.550 16.511 9.262 94 HA GLU 14 HA GLU 14 7.783 16.081 9.969 95 HB2 GLU 14 2HB GLU 14 9.611 18.459 10.481 96 HB3 GLU 14 3HB GLU 14 7.959 18.324 11.086 97 HG2 GLU 14 2HG GLU 14 8.679 16.189 12.267 98 HG3 GLU 14 3HG GLU 14 10.338 16.594 11.825 99 H GLU 15 H GLU 15 6.070 17.428 9.457 100 HA GLU 15 HA GLU 15 4.611 18.476 8.144 101 HB2 GLU 15 2HB GLU 15 6.993 19.930 6.931 102 HB3 GLU 15 3HB GLU 15 5.301 20.380 6.718 103 HG2 GLU 15 2HG GLU 15 5.137 20.701 9.213 104 HG3 GLU 15 3HG GLU 15 6.877 20.425 9.316 105 H ASP 16 H ASP 16 6.514 16.134 7.143 106 HA ASP 16 HA ASP 16 5.187 15.808 4.522 107 HB2 ASP 16 2HB ASP 16 7.397 14.154 5.842 108 HB3 ASP 16 3HB ASP 16 6.696 13.817 4.259 109 H ASP 17 H ASP 17 4.821 15.111 7.798 110 HA ASP 17 HA ASP 17 3.848 12.428 7.694 111 HB2 ASP 17 2HB ASP 17 4.892 13.324 9.730 112 HB3 ASP 17 3HB ASP 17 3.624 14.532 9.881 113 H GLY 18 H GLY 18 2.404 15.491 6.990 114 HA2 GLY 18 2HA GLY 18 -0.354 14.833 7.328 115 HA3 GLY 18 3HA GLY 18 0.299 16.027 6.212 116 H VAL 19 H VAL 19 1.895 14.501 4.573 117 HA VAL 19 HA VAL 19 0.155 13.145 2.792 118 HB VAL 19 HB VAL 19 3.201 12.970 2.973 119 HG11 VAL 19 1HG1 VAL 19 1.372 12.233 0.659 120 HG12 VAL 19 2HG1 VAL 19 2.318 11.112 1.641 121 HG13 VAL 19 3HG1 VAL 19 3.137 12.272 0.592 122 HG21 VAL 19 3HG2 VAL 19 2.469 15.290 2.650 123 HG22 VAL 19 1HG2 VAL 19 1.482 14.807 1.267 124 HG23 VAL 19 2HG2 VAL 19 3.242 14.681 1.184 125 H VAL 20 H VAL 20 2.618 11.965 5.066 126 HA VAL 20 HA VAL 20 2.444 9.211 4.726 127 HB VAL 20 HB VAL 20 3.187 10.903 7.147 128 HG11 VAL 20 1HG1 VAL 20 4.289 8.939 8.144 129 HG12 VAL 20 2HG1 VAL 20 3.621 7.920 6.870 130 HG13 VAL 20 3HG1 VAL 20 2.544 8.708 8.019 131 HG21 VAL 20 3HG2 VAL 20 4.650 11.172 5.182 132 HG22 VAL 20 1HG2 VAL 20 4.918 9.427 5.126 133 HG23 VAL 20 2HG2 VAL 20 5.519 10.370 6.493 134 H ALA 21 H ALA 21 0.515 11.333 6.827 135 HA ALA 21 HA ALA 21 -0.921 9.329 8.252 136 HB1 ALA 21 3HB ALA 21 -1.690 12.229 7.744 137 HB2 ALA 21 1HB ALA 21 -0.692 11.645 9.078 138 HB3 ALA 21 2HB ALA 21 -2.388 11.169 8.974 139 H MET 22 H MET 22 -1.701 11.285 5.352 140 HA MET 22 HA MET 22 -4.339 10.171 5.095 141 HB2 MET 22 2HB MET 22 -4.602 11.448 3.085 142 HB3 MET 22 3HB MET 22 -3.772 12.459 4.254 143 HG2 MET 22 2HG MET 22 -1.667 12.134 3.093 144 HG3 MET 22 3HG MET 22 -2.426 11.009 1.970 145 HE1 MET 22 3HE MET 22 -4.864 13.412 -0.009 146 HE2 MET 22 1HE MET 22 -5.276 12.500 1.444 147 HE3 MET 22 2HE MET 22 -4.304 11.750 0.175 148 H ILE 23 H ILE 23 -1.176 9.208 3.920 149 HA ILE 23 HA ILE 23 -2.068 7.249 2.033 150 HB ILE 23 HB ILE 23 0.519 7.221 3.683 151 HG12 ILE 23 2HG1 ILE 23 0.084 8.116 0.795 152 HG13 ILE 23 3HG1 ILE 23 0.354 9.193 2.153 153 HG21 ILE 23 1HG2 ILE 23 -0.233 5.583 1.230 154 HG22 ILE 23 2HG2 ILE 23 -0.049 4.967 2.872 155 HG23 ILE 23 3HG2 ILE 23 1.354 5.590 2.006 156 HD11 ILE 23 3HD1 ILE 23 2.366 8.952 0.856 157 HD12 ILE 23 1HD1 ILE 23 2.325 7.197 1.042 158 HD13 ILE 23 2HD1 ILE 23 2.601 8.232 2.447 159 H LYS 24 H LYS 24 -1.130 7.084 5.507 160 HA LYS 24 HA LYS 24 -1.717 4.434 6.085 161 HB2 LYS 24 2HB LYS 24 -2.043 6.889 7.860 162 HB3 LYS 24 3HB LYS 24 -2.196 5.240 8.460 163 HG2 LYS 24 2HG LYS 24 0.145 4.796 7.848 164 HG3 LYS 24 3HG LYS 24 0.306 6.451 7.245 165 HD2 LYS 24 2HD LYS 24 -0.224 7.310 9.534 166 HD3 LYS 24 3HD LYS 24 -0.325 5.646 10.117 167 HE2 LYS 24 2HE LYS 24 2.044 5.306 9.572 168 HE3 LYS 24 3HE LYS 24 2.144 6.950 8.936 169 HZ1 LYS 24 3HZ LYS 24 1.668 7.801 11.131 170 HZ2 LYS 24 1HZ LYS 24 3.016 6.785 11.185 171 HZ3 LYS 24 2HZ LYS 24 1.519 6.239 11.753 172 H GLU 25 H GLU 25 -3.881 7.229 5.947 173 HA GLU 25 HA GLU 25 -6.194 6.010 7.029 174 HB2 GLU 25 2HB GLU 25 -5.832 8.473 6.932 175 HB3 GLU 25 3HB GLU 25 -5.963 8.423 5.176 176 HG2 GLU 25 2HG GLU 25 -8.297 7.630 5.372 177 HG3 GLU 25 3HG GLU 25 -8.167 7.685 7.126 178 H LEU 26 H LEU 26 -5.201 6.700 3.650 179 HA LEU 26 HA LEU 26 -7.459 5.578 2.371 180 HB2 LEU 26 2HB LEU 26 -4.607 5.987 1.349 181 HB3 LEU 26 3HB LEU 26 -5.923 5.447 0.321 182 HG LEU 26 HG LEU 26 -5.809 8.149 1.725 183 HD11 LEU 26 1HD1 LEU 26 -4.126 7.971 -0.054 184 HD12 LEU 26 2HD1 LEU 26 -5.404 9.101 -0.493 185 HD13 LEU 26 3HD1 LEU 26 -5.374 7.486 -1.207 186 HD21 LEU 26 3HD2 LEU 26 -7.813 7.089 -0.293 187 HD22 LEU 26 1HD2 LEU 26 -7.745 8.740 0.332 188 HD23 LEU 26 2HD2 LEU 26 -8.115 7.406 1.418 189 H LEU 27 H LEU 27 -4.400 4.131 3.431 190 HA LEU 27 HA LEU 27 -4.797 1.565 2.233 191 HB2 LEU 27 2HB LEU 27 -3.106 2.408 4.623 192 HB3 LEU 27 3HB LEU 27 -3.051 0.807 3.899 193 HG LEU 27 HG LEU 27 -2.304 3.382 2.458 194 HD11 LEU 27 1HD1 LEU 27 -0.513 1.245 3.612 195 HD12 LEU 27 2HD1 LEU 27 -0.718 2.889 4.224 196 HD13 LEU 27 3HD1 LEU 27 0.003 2.626 2.639 197 HD21 LEU 27 3HD2 LEU 27 -3.147 1.679 0.911 198 HD22 LEU 27 1HD2 LEU 27 -2.010 0.496 1.568 199 HD23 LEU 27 2HD2 LEU 27 -1.415 1.916 0.702 200 H ASP 28 H ASP 28 -5.355 2.852 5.510 201 HA ASP 28 HA ASP 28 -5.983 0.397 6.726 202 HB2 ASP 28 2HB ASP 28 -5.160 2.451 7.919 203 HB3 ASP 28 3HB ASP 28 -6.745 3.183 7.703 204 H THR 29 H THR 29 -8.036 2.856 5.278 205 HA THR 29 HA THR 29 -10.505 1.625 6.197 206 HB THR 29 HB THR 29 -11.593 3.512 4.936 207 HG1 THR 29 HG1 THR 29 -9.254 4.911 4.592 208 HG21 THR 29 3HG2 THR 29 -10.973 3.817 7.320 209 HG22 THR 29 1HG2 THR 29 -10.826 5.326 6.413 210 HG23 THR 29 2HG2 THR 29 -9.380 4.399 6.822 211 H ARG 30 H ARG 30 -8.647 1.789 3.188 212 HA ARG 30 HA ARG 30 -10.889 0.650 1.623 213 HB2 ARG 30 2HB ARG 30 -8.320 1.963 0.644 214 HB3 ARG 30 3HB ARG 30 -9.693 1.494 -0.355 215 HG2 ARG 30 2HG ARG 30 -11.075 3.222 0.566 216 HG3 ARG 30 3HG ARG 30 -9.924 3.548 1.865 217 HD2 ARG 30 2HD ARG 30 -9.863 5.285 0.118 218 HD3 ARG 30 3HD ARG 30 -8.320 4.441 0.264 219 HE ARG 30 HE ARG 30 -9.056 3.116 -1.733 220 HH11 ARG 30 1HH1 ARG 30 -10.297 6.369 -1.219 221 HH12 ARG 30 2HH1 ARG 30 -10.591 6.646 -2.908 222 HH21 ARG 30 1HH2 ARG 30 -9.398 3.502 -3.929 223 HH22 ARG 30 2HH2 ARG 30 -10.076 5.019 -4.446 224 H ILE 31 H ILE 31 -7.330 0.262 2.008 225 HA ILE 31 HA ILE 31 -7.343 -1.991 0.155 226 HB ILE 31 HB ILE 31 -5.021 -0.625 1.574 227 HG12 ILE 31 2HG1 ILE 31 -6.138 0.891 -0.001 228 HG13 ILE 31 3HG1 ILE 31 -4.557 0.440 -0.619 229 HG21 ILE 31 1HG2 ILE 31 -3.543 -1.769 -0.037 230 HG22 ILE 31 2HG2 ILE 31 -4.929 -2.644 -0.689 231 HG23 ILE 31 3HG2 ILE 31 -4.414 -2.925 0.975 232 HD11 ILE 31 3HD1 ILE 31 -6.195 0.519 -2.390 233 HD12 ILE 31 1HD1 ILE 31 -7.214 -0.656 -1.564 234 HD13 ILE 31 2HD1 ILE 31 -5.629 -1.137 -2.183 235 H ARG 32 H ARG 32 -6.412 -1.406 3.577 236 HA ARG 32 HA ARG 32 -5.413 -3.886 4.208 237 HB2 ARG 32 2HB ARG 32 -6.804 -1.915 6.056 238 HB3 ARG 32 3HB ARG 32 -6.054 -3.401 6.632 239 HG2 ARG 32 2HG ARG 32 -3.887 -2.547 5.584 240 HG3 ARG 32 3HG ARG 32 -4.699 -0.989 5.396 241 HD2 ARG 32 2HD ARG 32 -3.378 -0.992 7.451 242 HD3 ARG 32 3HD ARG 32 -5.099 -0.948 7.863 243 HE ARG 32 HE ARG 32 -3.790 -3.567 7.775 244 HH11 ARG 32 1HH1 ARG 32 -4.995 -0.975 9.873 245 HH12 ARG 32 2HH1 ARG 32 -5.024 -1.987 11.279 246 HH21 ARG 32 1HH2 ARG 32 -3.881 -4.858 9.593 247 HH22 ARG 32 2HH2 ARG 32 -4.384 -4.198 11.118 248 HA PRO 33 HA PRO 33 -9.966 -5.307 5.706 249 HB2 PRO 33 2HB PRO 33 -11.608 -3.667 3.760 250 HB3 PRO 33 3HB PRO 33 -11.990 -4.168 5.423 251 HG2 PRO 33 2HG PRO 33 -11.289 -1.662 4.958 252 HG3 PRO 33 3HG PRO 33 -10.655 -2.514 6.389 253 HD2 PRO 33 2HD PRO 33 -9.271 -1.959 3.765 254 HD3 PRO 33 3HD PRO 33 -8.644 -1.818 5.422 255 H THR 34 H THR 34 -9.521 -4.268 2.313 256 HA THR 34 HA THR 34 -10.684 -6.446 0.984 257 HB THR 34 HB THR 34 -8.429 -4.596 0.089 258 HG1 THR 34 HG1 THR 34 -11.117 -4.472 -0.767 259 HG21 THR 34 3HG2 THR 34 -8.443 -6.636 -1.327 260 HG22 THR 34 1HG2 THR 34 -8.994 -5.218 -2.231 261 HG23 THR 34 2HG2 THR 34 -10.162 -6.400 -1.645 262 H VAL 35 H VAL 35 -7.265 -5.881 1.864 263 HA VAL 35 HA VAL 35 -6.303 -8.335 0.759 264 HB VAL 35 HB VAL 35 -4.880 -6.476 2.725 265 HG11 VAL 35 1HG1 VAL 35 -2.791 -7.414 1.773 266 HG12 VAL 35 2HG1 VAL 35 -3.741 -8.524 0.782 267 HG13 VAL 35 3HG1 VAL 35 -3.766 -8.669 2.540 268 HG21 VAL 35 3HG2 VAL 35 -3.870 -5.416 0.736 269 HG22 VAL 35 1HG2 VAL 35 -5.627 -5.253 0.717 270 HG23 VAL 35 2HG2 VAL 35 -4.844 -6.448 -0.315 271 H GLN 36 H GLN 36 -7.515 -7.396 3.922 272 HA GLN 36 HA GLN 36 -6.693 -9.769 5.329 273 HB2 GLN 36 2HB GLN 36 -8.861 -7.717 5.961 274 HB3 GLN 36 3HB GLN 36 -8.415 -9.036 7.046 275 HG2 GLN 36 2HG GLN 36 -6.173 -8.144 7.312 276 HG3 GLN 36 3HG GLN 36 -6.466 -6.922 6.079 277 HE21 GLN 36 1HE2 GLN 36 -6.054 -5.171 7.403 278 HE22 GLN 36 2HE2 GLN 36 -7.066 -4.722 8.727 279 H GLU 37 H GLU 37 -9.504 -8.878 3.374 280 HA GLU 37 HA GLU 37 -10.961 -11.321 3.798 281 HB2 GLU 37 2HB GLU 37 -11.140 -9.275 1.547 282 HB3 GLU 37 3HB GLU 37 -12.267 -10.605 1.778 283 HG2 GLU 37 2HG GLU 37 -11.851 -8.235 3.617 284 HG3 GLU 37 3HG GLU 37 -13.250 -8.553 2.604 285 H ASP 38 H ASP 38 -8.415 -10.271 1.627 286 HA ASP 38 HA ASP 38 -8.307 -12.653 0.012 287 HB2 ASP 38 2HB ASP 38 -7.392 -10.499 -0.795 288 HB3 ASP 38 3HB ASP 38 -6.245 -10.455 0.537 289 H GLY 39 H GLY 39 -7.156 -11.721 3.156 290 HA2 GLY 39 2HA GLY 39 -6.911 -13.535 4.757 291 HA3 GLY 39 3HA GLY 39 -6.000 -14.433 3.556 292 H GLY 40 H GLY 40 -4.729 -11.633 2.922 293 HA2 GLY 40 2HA GLY 40 -2.547 -11.838 4.903 294 HA3 GLY 40 3HA GLY 40 -2.484 -11.023 3.343 295 H ASP 41 H ASP 41 -1.678 -9.099 4.233 296 HA ASP 41 HA ASP 41 -3.632 -7.144 4.802 297 HB2 ASP 41 2HB ASP 41 -3.442 -8.119 7.120 298 HB3 ASP 41 3HB ASP 41 -1.731 -7.708 7.132 299 H VAL 42 H VAL 42 -2.681 -4.981 4.912 300 HA VAL 42 HA VAL 42 0.100 -4.819 3.900 301 HB VAL 42 HB VAL 42 -0.497 -2.746 2.670 302 HG11 VAL 42 1HG1 VAL 42 -2.201 -5.135 1.884 303 HG12 VAL 42 2HG1 VAL 42 -0.511 -4.864 1.454 304 HG13 VAL 42 3HG1 VAL 42 -1.760 -3.795 0.819 305 HG21 VAL 42 3HG2 VAL 42 -2.828 -2.084 2.268 306 HG22 VAL 42 1HG2 VAL 42 -2.447 -1.991 3.986 307 HG23 VAL 42 2HG2 VAL 42 -3.397 -3.343 3.368 308 H ILE 43 H ILE 43 1.393 -3.959 5.383 309 HA ILE 43 HA ILE 43 0.272 -2.313 7.578 310 HB ILE 43 HB ILE 43 2.900 -3.884 7.611 311 HG12 ILE 43 2HG1 ILE 43 1.619 -5.400 9.312 312 HG13 ILE 43 3HG1 ILE 43 0.149 -4.725 8.627 313 HG21 ILE 43 1HG2 ILE 43 2.853 -3.476 10.050 314 HG22 ILE 43 2HG2 ILE 43 1.367 -2.542 9.869 315 HG23 ILE 43 3HG2 ILE 43 2.869 -1.962 9.143 316 HD11 ILE 43 3HD1 ILE 43 0.651 -6.895 7.678 317 HD12 ILE 43 1HD1 ILE 43 2.235 -6.329 7.147 318 HD13 ILE 43 2HD1 ILE 43 0.769 -5.652 6.436 319 H TYR 44 H TYR 44 0.808 -0.191 7.463 320 HA TYR 44 HA TYR 44 2.642 0.809 5.520 321 HB2 TYR 44 2HB TYR 44 0.620 2.089 6.259 322 HB3 TYR 44 3HB TYR 44 1.352 2.308 7.847 323 HD1 TYR 44 HD2 TYR 44 1.572 3.245 4.273 324 HD2 TYR 44 HD1 TYR 44 3.150 3.966 8.173 325 HE1 TYR 44 HE2 TYR 44 2.706 5.252 3.447 326 HE2 TYR 44 HE1 TYR 44 4.275 5.974 7.335 327 HH TYR 44 HH TYR 44 5.070 6.881 5.218 328 H LYS 45 H LYS 45 4.759 0.734 5.712 329 HA LYS 45 HA LYS 45 6.071 0.535 8.346 330 HB2 LYS 45 2HB LYS 45 6.933 -0.307 5.552 331 HB3 LYS 45 3HB LYS 45 8.017 -0.359 6.942 332 HG2 LYS 45 2HG LYS 45 5.368 -1.833 6.802 333 HG3 LYS 45 3HG LYS 45 6.927 -2.559 6.390 334 HD2 LYS 45 2HD LYS 45 7.733 -2.229 8.672 335 HD3 LYS 45 3HD LYS 45 6.271 -1.341 9.106 336 HE2 LYS 45 2HE LYS 45 4.936 -3.299 9.033 337 HE3 LYS 45 3HE LYS 45 6.172 -4.217 8.172 338 HZ1 LYS 45 3HZ LYS 45 7.526 -4.262 10.099 339 HZ2 LYS 45 1HZ LYS 45 5.980 -4.750 10.569 340 HZ3 LYS 45 2HZ LYS 45 6.521 -3.191 10.931 341 H GLY 46 H GLY 46 6.008 2.494 5.381 342 HA2 GLY 46 2HA GLY 46 6.811 4.832 6.646 343 HA3 GLY 46 3HA GLY 46 8.301 4.095 6.070 344 H PHE 47 H PHE 47 8.270 6.277 5.004 345 HA PHE 47 HA PHE 47 7.538 5.948 2.202 346 HB2 PHE 47 2HB PHE 47 5.579 7.157 3.156 347 HB3 PHE 47 3HB PHE 47 6.642 8.361 3.859 348 HD1 PHE 47 HD2 PHE 47 5.415 6.989 0.610 349 HD2 PHE 47 HD1 PHE 47 7.252 10.308 2.591 350 HE1 PHE 47 HE2 PHE 47 5.098 8.373 -1.403 351 HE2 PHE 47 HE1 PHE 47 6.927 11.682 0.576 352 HZ PHE 47 HZ PHE 47 5.849 10.720 -1.418 353 H GLU 48 H GLU 48 9.533 6.141 1.369 354 HA GLU 48 HA GLU 48 11.316 8.343 2.219 355 HB2 GLU 48 2HB GLU 48 12.186 5.481 1.606 356 HB3 GLU 48 3HB GLU 48 13.277 6.836 1.883 357 HG2 GLU 48 2HG GLU 48 12.311 7.025 4.206 358 HG3 GLU 48 3HG GLU 48 11.425 5.532 3.891 359 H ASP 49 H ASP 49 12.029 9.509 0.520 360 HA ASP 49 HA ASP 49 12.759 10.170 -1.513 361 HB2 ASP 49 2HB ASP 49 12.403 7.273 -2.362 362 HB3 ASP 49 3HB ASP 49 13.069 8.518 -3.410 363 H GLY 50 H GLY 50 9.736 8.472 -1.276 364 HA2 GLY 50 2HA GLY 50 7.824 9.678 -2.491 365 HA3 GLY 50 3HA GLY 50 8.783 9.367 -3.938 366 H ILE 51 H ILE 51 9.493 6.859 -2.045 367 HA ILE 51 HA ILE 51 7.498 5.068 -3.248 368 HB ILE 51 HB ILE 51 10.142 4.417 -1.855 369 HG12 ILE 51 2HG1 ILE 51 10.534 5.670 -3.954 370 HG13 ILE 51 3HG1 ILE 51 11.066 4.004 -4.120 371 HG21 ILE 51 1HG2 ILE 51 8.303 2.613 -3.468 372 HG22 ILE 51 2HG2 ILE 51 8.577 2.534 -1.726 373 HG23 ILE 51 3HG2 ILE 51 9.891 2.161 -2.841 374 HD11 ILE 51 3HD1 ILE 51 8.999 3.506 -5.384 375 HD12 ILE 51 1HD1 ILE 51 9.997 4.755 -6.130 376 HD13 ILE 51 2HD1 ILE 51 8.541 5.209 -5.249 377 H VAL 52 H VAL 52 5.919 4.304 -2.033 378 HA VAL 52 HA VAL 52 5.790 4.676 0.844 379 HB VAL 52 HB VAL 52 3.740 3.364 -1.007 380 HG11 VAL 52 1HG1 VAL 52 3.433 4.454 1.808 381 HG12 VAL 52 2HG1 VAL 52 3.436 2.748 1.354 382 HG13 VAL 52 3HG1 VAL 52 2.130 3.804 0.810 383 HG21 VAL 52 3HG2 VAL 52 3.835 6.239 -0.049 384 HG22 VAL 52 1HG2 VAL 52 2.539 5.507 -0.998 385 HG23 VAL 52 2HG2 VAL 52 4.150 5.693 -1.697 386 H GLN 53 H GLN 53 6.642 3.175 2.125 387 HA GLN 53 HA GLN 53 7.293 0.501 1.117 388 HB2 GLN 53 2HB GLN 53 8.205 2.128 3.520 389 HB3 GLN 53 3HB GLN 53 8.645 0.431 3.310 390 HG2 GLN 53 2HG GLN 53 9.818 0.912 1.251 391 HG3 GLN 53 3HG GLN 53 9.218 2.570 1.239 392 HE21 GLN 53 1HE2 GLN 53 11.367 3.264 1.031 393 HE22 GLN 53 2HE2 GLN 53 12.412 3.343 2.404 394 H LEU 54 H LEU 54 5.940 -1.095 1.480 395 HA LEU 54 HA LEU 54 4.184 -1.144 3.870 396 HB2 LEU 54 2HB LEU 54 3.410 -2.002 1.043 397 HB3 LEU 54 3HB LEU 54 2.388 -2.108 2.469 398 HG LEU 54 HG LEU 54 3.304 0.441 1.086 399 HD11 LEU 54 1HD1 LEU 54 0.926 0.760 0.600 400 HD12 LEU 54 2HD1 LEU 54 0.549 -0.794 1.354 401 HD13 LEU 54 3HD1 LEU 54 1.533 -0.733 -0.111 402 HD21 LEU 54 3HD2 LEU 54 1.629 0.134 3.593 403 HD22 LEU 54 1HD2 LEU 54 1.874 1.639 2.700 404 HD23 LEU 54 2HD2 LEU 54 3.240 0.845 3.477 405 H LYS 55 H LYS 55 4.123 -3.071 4.901 406 HA LYS 55 HA LYS 55 5.641 -5.360 3.897 407 HB2 LYS 55 2HB LYS 55 5.846 -4.773 6.287 408 HB3 LYS 55 3HB LYS 55 4.106 -4.940 6.510 409 HG2 LYS 55 2HG LYS 55 4.273 -7.358 6.000 410 HG3 LYS 55 3HG LYS 55 6.018 -7.192 5.779 411 HD2 LYS 55 2HD LYS 55 6.281 -6.568 8.148 412 HD3 LYS 55 3HD LYS 55 4.530 -6.628 8.380 413 HE2 LYS 55 2HE LYS 55 4.547 -9.040 7.869 414 HE3 LYS 55 3HE LYS 55 6.295 -8.982 7.630 415 HZ1 LYS 55 3HZ LYS 55 6.574 -8.389 9.941 416 HZ2 LYS 55 1HZ LYS 55 5.679 -9.819 9.827 417 HZ3 LYS 55 2HZ LYS 55 4.901 -8.358 10.182 418 H LEU 56 H LEU 56 4.662 -7.065 2.871 419 HA LEU 56 HA LEU 56 1.709 -7.299 2.893 420 HB2 LEU 56 2HB LEU 56 3.675 -8.701 1.038 421 HB3 LEU 56 3HB LEU 56 1.924 -8.706 0.901 422 HG LEU 56 HG LEU 56 3.819 -6.387 0.354 423 HD11 LEU 56 1HD1 LEU 56 2.904 -6.495 -1.927 424 HD12 LEU 56 2HD1 LEU 56 1.919 -7.888 -1.473 425 HD13 LEU 56 3HD1 LEU 56 3.681 -8.005 -1.457 426 HD21 LEU 56 3HD2 LEU 56 1.845 -5.035 -0.245 427 HD22 LEU 56 1HD2 LEU 56 1.881 -5.444 1.468 428 HD23 LEU 56 2HD2 LEU 56 0.787 -6.304 0.381 429 H GLN 57 H GLN 57 0.757 -9.247 3.562 430 HA GLN 57 HA GLN 57 2.416 -10.994 5.265 431 HB2 GLN 57 2HB GLN 57 -0.587 -10.582 5.090 432 HB3 GLN 57 3HB GLN 57 0.140 -11.839 6.080 433 HG2 GLN 57 2HG GLN 57 0.588 -8.859 6.422 434 HG3 GLN 57 3HG GLN 57 -0.501 -9.850 7.390 435 HE21 GLN 57 1HE2 GLN 57 1.628 -8.284 8.448 436 HE22 GLN 57 2HE2 GLN 57 2.752 -9.361 9.190 437 H GLY 58 H GLY 58 1.322 -13.367 5.360 438 HA2 GLY 58 2HA GLY 58 2.258 -14.499 2.861 439 HA3 GLY 58 3HA GLY 58 1.916 -15.354 4.349 440 H SER 59 H SER 59 0.139 -13.538 1.894 441 HA SER 59 HA SER 59 -1.387 -15.887 1.108 442 HB2 SER 59 2HB SER 59 -2.774 -13.294 1.968 443 HB3 SER 59 3HB SER 59 -3.573 -14.660 1.183 444 HG SER 59 HG SER 59 -2.398 -15.745 3.205 445 H CYS 60 H CYS 60 -1.096 -12.340 0.669 446 HA CYS 60 HA CYS 60 -1.199 -12.324 -2.168 447 HB2 CYS 60 2HB CYS 60 0.109 -10.322 -0.293 448 HB3 CYS 60 3HB CYS 60 -0.409 -10.009 -1.949 449 HG CYS 60 HG CYS 60 -3.161 -10.501 -1.265 450 H THR 61 H THR 61 1.360 -12.497 0.202 451 HA THR 61 HA THR 61 3.548 -12.311 -1.603 452 HB THR 61 HB THR 61 3.563 -13.333 1.261 453 HG1 THR 61 HG1 THR 61 3.430 -11.276 1.902 454 HG21 THR 61 3HG2 THR 61 5.844 -12.391 1.289 455 HG22 THR 61 1HG2 THR 61 5.677 -11.958 -0.413 456 HG23 THR 61 2HG2 THR 61 5.684 -13.656 0.069 457 H SER 62 H SER 62 1.468 -14.890 -0.718 458 HA SER 62 HA SER 62 3.260 -17.100 -0.954 459 HB2 SER 62 2HB SER 62 0.217 -17.027 -1.109 460 HB3 SER 62 3HB SER 62 1.204 -18.476 -0.880 461 HG SER 62 HG SER 62 2.069 -17.079 1.001 462 H CYS 63 H CYS 63 1.967 -15.070 -3.322 463 HA CYS 63 HA CYS 63 2.608 -16.981 -5.465 464 HB2 CYS 63 2HB CYS 63 0.135 -15.213 -5.373 465 HB3 CYS 63 3HB CYS 63 0.628 -16.212 -6.741 466 HG CYS 63 HG CYS 63 0.612 -18.403 -4.526 467 HA PRO 64 HA PRO 64 5.494 -13.621 -6.287 468 HB2 PRO 64 2HB PRO 64 5.523 -14.830 -9.056 469 HB3 PRO 64 3HB PRO 64 6.883 -14.435 -7.977 470 HG2 PRO 64 2HG PRO 64 6.132 -16.959 -8.250 471 HG3 PRO 64 3HG PRO 64 6.567 -16.329 -6.644 472 HD2 PRO 64 2HD PRO 64 3.833 -16.873 -7.777 473 HD3 PRO 64 3HD PRO 64 4.454 -17.156 -6.135 474 H SER 65 H SER 65 3.040 -14.203 -8.872 475 HA SER 65 HA SER 65 3.314 -11.570 -10.003 476 HB2 SER 65 2HB SER 65 2.580 -13.516 -11.379 477 HB3 SER 65 3HB SER 65 1.075 -13.588 -10.459 478 HG SER 65 HG SER 65 1.973 -11.637 -12.292 479 H SER 66 H SER 66 1.105 -13.093 -7.676 480 HA SER 66 HA SER 66 -0.816 -11.028 -7.504 481 HB2 SER 66 2HB SER 66 -0.004 -13.037 -5.357 482 HB3 SER 66 3HB SER 66 -1.507 -12.107 -5.394 483 HG SER 66 HG SER 66 -2.252 -13.312 -7.008 484 H ILE 67 H ILE 67 2.299 -11.458 -5.881 485 HA ILE 67 HA ILE 67 2.292 -9.355 -4.037 486 HB ILE 67 HB ILE 67 4.623 -10.302 -5.782 487 HG12 ILE 67 2HG1 ILE 67 3.843 -11.181 -2.969 488 HG13 ILE 67 3HG1 ILE 67 3.621 -12.133 -4.430 489 HG21 ILE 67 1HG2 ILE 67 6.121 -9.356 -4.050 490 HG22 ILE 67 2HG2 ILE 67 4.721 -8.708 -3.195 491 HG23 ILE 67 3HG2 ILE 67 5.127 -8.107 -4.803 492 HD11 ILE 67 3HD1 ILE 67 6.270 -11.312 -3.232 493 HD12 ILE 67 1HD1 ILE 67 6.055 -12.243 -4.718 494 HD13 ILE 67 2HD1 ILE 67 5.528 -12.911 -3.173 495 H ILE 68 H ILE 68 3.383 -9.373 -7.420 496 HA ILE 68 HA ILE 68 4.115 -6.665 -7.648 497 HB ILE 68 HB ILE 68 3.278 -8.587 -9.875 498 HG12 ILE 68 2HG1 ILE 68 6.059 -8.034 -8.726 499 HG13 ILE 68 3HG1 ILE 68 5.129 -9.509 -8.494 500 HG21 ILE 68 1HG2 ILE 68 4.952 -6.054 -10.067 501 HG22 ILE 68 2HG2 ILE 68 3.296 -6.240 -10.645 502 HG23 ILE 68 3HG2 ILE 68 4.597 -7.163 -11.396 503 HD11 ILE 68 3HD1 ILE 68 5.278 -9.967 -10.897 504 HD12 ILE 68 1HD1 ILE 68 6.860 -9.844 -10.132 505 HD13 ILE 68 2HD1 ILE 68 6.252 -8.509 -11.109 506 H THR 69 H THR 69 1.090 -8.374 -8.385 507 HA THR 69 HA THR 69 -0.254 -6.251 -9.699 508 HB THR 69 HB THR 69 -1.412 -8.722 -8.335 509 HG1 THR 69 HG1 THR 69 0.133 -9.048 -10.092 510 HG21 THR 69 3HG2 THR 69 -2.678 -6.931 -10.449 511 HG22 THR 69 1HG2 THR 69 -3.158 -6.987 -8.748 512 HG23 THR 69 2HG2 THR 69 -3.387 -8.401 -9.779 513 H LEU 70 H LEU 70 -0.299 -7.431 -6.300 514 HA LEU 70 HA LEU 70 -2.305 -5.651 -5.365 515 HB2 LEU 70 2HB LEU 70 -1.645 -7.674 -4.091 516 HB3 LEU 70 3HB LEU 70 -0.053 -6.990 -3.806 517 HG LEU 70 HG LEU 70 -1.106 -5.145 -2.462 518 HD11 LEU 70 1HD1 LEU 70 -3.304 -5.076 -3.500 519 HD12 LEU 70 2HD1 LEU 70 -3.442 -5.295 -1.758 520 HD13 LEU 70 3HD1 LEU 70 -3.695 -6.667 -2.839 521 HD21 LEU 70 3HD2 LEU 70 -1.811 -7.914 -1.455 522 HD22 LEU 70 1HD2 LEU 70 -1.635 -6.457 -0.473 523 HD23 LEU 70 2HD2 LEU 70 -0.238 -7.129 -1.309 524 H LYS 71 H LYS 71 1.254 -5.524 -5.245 525 HA LYS 71 HA LYS 71 1.634 -3.077 -3.980 526 HB2 LYS 71 2HB LYS 71 3.443 -4.675 -4.331 527 HB3 LYS 71 3HB LYS 71 3.334 -4.506 -6.073 528 HG2 LYS 71 2HG LYS 71 4.018 -2.064 -4.437 529 HG3 LYS 71 3HG LYS 71 5.256 -3.298 -4.648 530 HD2 LYS 71 2HD LYS 71 3.813 -1.900 -6.937 531 HD3 LYS 71 3HD LYS 71 5.384 -1.414 -6.300 532 HE2 LYS 71 2HE LYS 71 4.783 -4.134 -7.517 533 HE3 LYS 71 3HE LYS 71 5.563 -2.792 -8.358 534 HZ1 LYS 71 3HZ LYS 71 7.397 -2.884 -6.850 535 HZ2 LYS 71 1HZ LYS 71 7.149 -4.435 -7.459 536 HZ3 LYS 71 2HZ LYS 71 6.640 -4.055 -5.893 537 H ASN 72 H ASN 72 1.139 -3.781 -7.433 538 HA ASN 72 HA ASN 72 1.493 -1.079 -8.340 539 HB2 ASN 72 2HB ASN 72 0.410 -3.570 -9.707 540 HB3 ASN 72 3HB ASN 72 0.469 -2.013 -10.528 541 HD21 ASN 72 1HD2 ASN 72 1.824 -4.460 -11.241 542 HD22 ASN 72 2HD2 ASN 72 3.517 -4.111 -11.247 543 H GLY 73 H GLY 73 -1.333 -3.027 -7.451 544 HA2 GLY 73 2HA GLY 73 -3.357 -1.278 -8.389 545 HA3 GLY 73 3HA GLY 73 -3.527 -2.474 -7.112 546 H ILE 74 H ILE 74 -1.798 -1.613 -5.227 547 HA ILE 74 HA ILE 74 -3.048 0.516 -3.848 548 HB ILE 74 HB ILE 74 -0.270 -0.703 -3.445 549 HG12 ILE 74 2HG1 ILE 74 -2.851 -1.375 -1.960 550 HG13 ILE 74 3HG1 ILE 74 -2.183 -2.343 -3.268 551 HG21 ILE 74 1HG2 ILE 74 -1.909 0.995 -1.537 552 HG22 ILE 74 2HG2 ILE 74 -0.408 1.470 -2.333 553 HG23 ILE 74 3HG2 ILE 74 -0.398 0.179 -1.135 554 HD11 ILE 74 3HD1 ILE 74 -1.642 -3.322 -1.134 555 HD12 ILE 74 1HD1 ILE 74 -0.877 -1.828 -0.594 556 HD13 ILE 74 2HD1 ILE 74 -0.170 -2.757 -1.919 557 H GLN 75 H GLN 75 -0.111 0.258 -5.791 558 HA GLN 75 HA GLN 75 1.012 2.791 -5.425 559 HB2 GLN 75 2HB GLN 75 2.145 0.800 -6.420 560 HB3 GLN 75 3HB GLN 75 1.166 0.968 -7.868 561 HG2 GLN 75 2HG GLN 75 2.272 3.041 -8.434 562 HG3 GLN 75 3HG GLN 75 3.129 3.055 -6.894 563 HE21 GLN 75 1HE2 GLN 75 2.672 0.157 -8.894 564 HE22 GLN 75 2HE2 GLN 75 4.336 -0.036 -9.296 565 H ASN 76 H ASN 76 -1.235 1.598 -7.920 566 HA ASN 76 HA ASN 76 -1.483 4.002 -9.384 567 HB2 ASN 76 2HB ASN 76 -3.280 1.547 -9.175 568 HB3 ASN 76 3HB ASN 76 -3.618 2.877 -10.279 569 HD21 ASN 76 1HD2 ASN 76 -2.944 0.014 -10.762 570 HD22 ASN 76 2HD2 ASN 76 -1.612 0.047 -11.863 571 H MET 77 H MET 77 -3.302 2.691 -6.614 572 HA MET 77 HA MET 77 -5.393 4.615 -6.569 573 HB2 MET 77 2HB MET 77 -5.441 2.439 -5.298 574 HB3 MET 77 3HB MET 77 -4.231 3.084 -4.198 575 HG2 MET 77 2HG MET 77 -5.919 4.978 -3.720 576 HG3 MET 77 3HG MET 77 -7.103 3.959 -4.534 577 HE1 MET 77 3HE MET 77 -4.100 3.049 -2.061 578 HE2 MET 77 1HE MET 77 -4.999 2.972 -0.547 579 HE3 MET 77 2HE MET 77 -4.853 4.505 -1.407 580 H LEU 78 H LEU 78 -2.375 4.398 -4.689 581 HA LEU 78 HA LEU 78 -2.664 6.815 -3.263 582 HB2 LEU 78 2HB LEU 78 -0.234 5.073 -3.823 583 HB3 LEU 78 3HB LEU 78 -0.188 6.465 -2.757 584 HG LEU 78 HG LEU 78 -1.885 3.978 -2.303 585 HD11 LEU 78 1HD1 LEU 78 0.510 3.526 -2.022 586 HD12 LEU 78 2HD1 LEU 78 -0.332 3.471 -0.475 587 HD13 LEU 78 3HD1 LEU 78 0.649 4.879 -0.895 588 HD21 LEU 78 3HD2 LEU 78 -1.468 6.411 -0.529 589 HD22 LEU 78 1HD2 LEU 78 -2.324 4.934 -0.069 590 HD23 LEU 78 2HD2 LEU 78 -2.962 5.955 -1.355 591 H GLN 79 H GLN 79 -1.192 6.072 -6.397 592 HA GLN 79 HA GLN 79 0.058 8.641 -6.766 593 HB2 GLN 79 2HB GLN 79 -0.617 6.385 -8.701 594 HB3 GLN 79 3HB GLN 79 0.107 7.895 -9.247 595 HG2 GLN 79 2HG GLN 79 2.090 7.501 -7.928 596 HG3 GLN 79 3HG GLN 79 1.376 6.073 -7.180 597 HE21 GLN 79 1HE2 GLN 79 3.853 6.321 -8.737 598 HE22 GLN 79 2HE2 GLN 79 3.698 5.208 -10.044 599 H PHE 80 H PHE 80 -3.106 7.253 -7.492 600 HA PHE 80 HA PHE 80 -4.068 9.154 -9.345 601 HB2 PHE 80 2HB PHE 80 -5.166 6.961 -8.991 602 HB3 PHE 80 3HB PHE 80 -5.612 7.424 -7.357 603 HD1 PHE 80 HD1 PHE 80 -6.107 8.461 -10.931 604 HD2 PHE 80 HD2 PHE 80 -7.759 8.362 -6.984 605 HE1 PHE 80 HE1 PHE 80 -8.237 9.345 -11.791 606 HE2 PHE 80 HE2 PHE 80 -9.882 9.251 -7.852 607 HZ PHE 80 HZ PHE 80 -10.124 9.743 -10.254 608 H TYR 81 H TYR 81 -4.327 8.961 -5.801 609 HA TYR 81 HA TYR 81 -5.696 11.523 -5.600 610 HB2 TYR 81 2HB TYR 81 -4.676 9.624 -3.439 611 HB3 TYR 81 3HB TYR 81 -5.674 11.049 -3.150 612 HD1 TYR 81 HD1 TYR 81 -7.948 11.117 -4.591 613 HD2 TYR 81 HD2 TYR 81 -5.811 7.542 -3.614 614 HE1 TYR 81 HE1 TYR 81 -9.979 9.789 -4.985 615 HE2 TYR 81 HE2 TYR 81 -7.845 6.225 -4.007 616 HH TYR 81 HH TYR 81 -10.582 7.484 -5.572 617 H ILE 82 H ILE 82 -2.616 10.179 -4.388 618 HA ILE 82 HA ILE 82 -1.635 12.865 -3.674 619 HB ILE 82 HB ILE 82 -0.469 10.131 -2.985 620 HG12 ILE 82 2HG1 ILE 82 -2.195 11.886 -1.178 621 HG13 ILE 82 3HG1 ILE 82 -2.819 10.515 -2.085 622 HG21 ILE 82 1HG2 ILE 82 0.792 11.337 -1.230 623 HG22 ILE 82 2HG2 ILE 82 0.111 12.863 -1.795 624 HG23 ILE 82 3HG2 ILE 82 1.187 11.940 -2.845 625 HD11 ILE 82 3HD1 ILE 82 -2.430 9.904 0.206 626 HD12 ILE 82 1HD1 ILE 82 -0.738 10.397 0.093 627 HD13 ILE 82 2HD1 ILE 82 -1.326 9.023 -0.849 628 HA PRO 83 HA PRO 83 1.028 12.524 -7.386 629 HB2 PRO 83 2HB PRO 83 2.118 15.023 -7.313 630 HB3 PRO 83 3HB PRO 83 0.425 14.755 -7.784 631 HG2 PRO 83 2HG PRO 83 1.516 15.633 -5.126 632 HG3 PRO 83 3HG PRO 83 0.130 16.276 -6.038 633 HD2 PRO 83 2HD PRO 83 -0.152 14.502 -3.966 634 HD3 PRO 83 3HD PRO 83 -1.297 14.586 -5.324 635 H GLU 84 H GLU 84 2.040 13.127 -4.108 636 HA GLU 84 HA GLU 84 4.857 13.236 -4.503 637 HB2 GLU 84 2HB GLU 84 3.329 12.521 -1.968 638 HB3 GLU 84 3HB GLU 84 5.013 13.033 -2.060 639 HG2 GLU 84 2HG GLU 84 2.542 14.681 -2.625 640 HG3 GLU 84 3HG GLU 84 3.723 14.920 -1.338 641 H VAL 85 H VAL 85 2.615 10.596 -4.157 642 HA VAL 85 HA VAL 85 4.536 8.543 -3.609 643 HB VAL 85 HB VAL 85 1.720 8.336 -4.774 644 HG11 VAL 85 1HG1 VAL 85 1.799 5.950 -4.103 645 HG12 VAL 85 2HG1 VAL 85 3.486 6.142 -3.621 646 HG13 VAL 85 3HG1 VAL 85 3.027 6.326 -5.315 647 HG21 VAL 85 3HG2 VAL 85 1.026 7.741 -2.477 648 HG22 VAL 85 1HG2 VAL 85 1.734 9.356 -2.532 649 HG23 VAL 85 2HG2 VAL 85 2.673 7.999 -1.904 650 H GLU 86 H GLU 86 6.199 8.736 -5.090 651 HA GLU 86 HA GLU 86 5.924 8.606 -7.931 652 HB2 GLU 86 2HB GLU 86 8.251 7.720 -6.161 653 HB3 GLU 86 3HB GLU 86 8.325 7.959 -7.906 654 HG2 GLU 86 2HG GLU 86 7.831 10.368 -7.584 655 HG3 GLU 86 3HG GLU 86 7.818 10.125 -5.835 656 H GLY 87 H GLY 87 6.089 6.230 -5.328 657 HA2 GLY 87 2HA GLY 87 4.870 4.170 -6.904 658 HA3 GLY 87 3HA GLY 87 6.596 3.879 -6.714 659 H VAL 88 H VAL 88 5.403 1.921 -5.763 660 HA VAL 88 HA VAL 88 5.447 2.166 -2.802 661 HB VAL 88 HB VAL 88 3.463 0.506 -4.462 662 HG11 VAL 88 1HG1 VAL 88 2.528 -0.349 -2.340 663 HG12 VAL 88 2HG1 VAL 88 3.814 0.466 -1.445 664 HG13 VAL 88 3HG1 VAL 88 4.207 -0.853 -2.551 665 HG21 VAL 88 3HG2 VAL 88 2.938 2.714 -2.445 666 HG22 VAL 88 1HG2 VAL 88 1.704 1.790 -3.306 667 HG23 VAL 88 2HG2 VAL 88 2.790 2.863 -4.196 668 H GLU 89 H GLU 89 6.429 0.337 -1.753 669 HA GLU 89 HA GLU 89 7.544 -1.815 -3.445 670 HB2 GLU 89 2HB GLU 89 9.321 -0.075 -3.097 671 HB3 GLU 89 3HB GLU 89 9.166 -0.265 -1.354 672 HG2 GLU 89 2HG GLU 89 11.121 -1.478 -2.197 673 HG3 GLU 89 3HG GLU 89 9.940 -2.592 -1.524 674 H GLN 90 H GLN 90 7.883 -3.777 -2.362 675 HA GLN 90 HA GLN 90 6.378 -4.243 0.084 676 HB2 GLN 90 2HB GLN 90 6.139 -5.773 -1.860 677 HB3 GLN 90 3HB GLN 90 7.854 -6.151 -1.781 678 HG2 GLN 90 2HG GLN 90 7.427 -7.089 0.546 679 HG3 GLN 90 3HG GLN 90 5.705 -6.896 0.227 680 HE21 GLN 90 1HE2 GLN 90 5.267 -9.114 0.326 681 HE22 GLN 90 2HE2 GLN 90 5.817 -10.232 -0.864 682 H VAL 91 H VAL 91 7.387 -4.056 2.008 683 HA VAL 91 HA VAL 91 10.218 -4.892 2.304 684 HB VAL 91 HB VAL 91 10.258 -3.244 4.292 685 HG11 VAL 91 1HG1 VAL 91 10.826 -1.287 2.873 686 HG12 VAL 91 2HG1 VAL 91 10.037 -2.054 1.490 687 HG13 VAL 91 3HG1 VAL 91 11.485 -2.777 2.193 688 HG21 VAL 91 3HG2 VAL 91 7.839 -2.072 2.877 689 HG22 VAL 91 1HG2 VAL 91 8.717 -1.325 4.216 690 HG23 VAL 91 2HG2 VAL 91 7.835 -2.832 4.469 691 H MET 92 H MET 92 10.238 -6.782 3.283 692 HA MET 92 HA MET 92 8.065 -7.553 5.143 693 HB2 MET 92 2HB MET 92 9.870 -9.287 3.405 694 HB3 MET 92 3HB MET 92 8.704 -9.913 4.560 695 HG2 MET 92 2HG MET 92 6.868 -8.989 3.273 696 HG3 MET 92 3HG MET 92 8.000 -8.222 2.156 697 HE1 MET 92 3HE MET 92 7.666 -12.830 2.552 698 HE2 MET 92 1HE MET 92 6.773 -11.721 3.590 699 HE3 MET 92 2HE MET 92 8.530 -11.839 3.727 700 H ASP 93 H ASP 93 9.108 -6.580 6.969 701 HA ASP 93 HA ASP 93 11.433 -8.037 8.064 702 HB2 ASP 93 2HB ASP 93 11.355 -6.400 9.911 703 HB3 ASP 93 3HB ASP 93 11.405 -5.565 8.364 704 H ASP 94 H ASP 94 11.129 -9.706 9.422 705 HA ASP 94 HA ASP 94 8.774 -10.011 11.088 706 HB2 ASP 94 2HB ASP 94 7.981 -10.909 8.888 707 HB3 ASP 94 3HB ASP 94 9.329 -12.045 8.870 708 H GLU 95 H GLU 95 11.178 -12.260 9.679 709 HA GLU 95 HA GLU 95 12.249 -12.993 12.255 710 HB2 GLU 95 2HB GLU 95 13.313 -13.476 9.440 711 HB3 GLU 95 3HB GLU 95 13.983 -14.190 10.904 712 HG2 GLU 95 2HG GLU 95 11.217 -14.670 9.771 713 HG3 GLU 95 3HG GLU 95 12.576 -15.793 9.739 714 H SER 96 H SER 96 12.979 -10.740 9.666 715 HA SER 96 HA SER 96 14.308 -8.925 9.457 716 HB2 SER 96 2HB SER 96 14.355 -9.007 12.513 717 HB3 SER 96 3HB SER 96 14.747 -7.607 11.511 718 HG SER 96 HG SER 96 12.686 -7.203 11.778 719 H ASP 97 H ASP 97 15.544 -11.438 9.207 720 HA ASP 97 HA ASP 97 18.242 -11.119 10.354 721 HB2 ASP 97 2HB ASP 97 16.934 -12.663 11.778 722 HB3 ASP 97 3HB ASP 97 16.533 -13.643 10.373 Start of MODEL 9 1 H1 MET 1 1H MET 1 7.498 34.282 27.623 2 H2 MET 1 2H MET 1 6.006 35.004 27.305 3 H3 MET 1 3H MET 1 7.216 35.017 26.122 4 HA MET 1 HA MET 1 7.135 32.634 25.960 5 HB2 MET 1 2HB MET 1 6.343 32.298 28.335 6 HB3 MET 1 3HB MET 1 4.737 32.816 27.842 7 HG2 MET 1 2HG MET 1 4.549 30.883 26.341 8 HG3 MET 1 3HG MET 1 6.187 30.375 26.747 9 HE1 MET 1 3HE MET 1 6.879 29.406 29.153 10 HE2 MET 1 1HE MET 1 5.766 29.304 30.515 11 HE3 MET 1 2HE MET 1 6.286 30.880 29.918 12 H GLY 2 H GLY 2 5.044 35.343 25.698 13 HA2 GLY 2 2HA GLY 2 3.057 34.328 23.919 14 HA3 GLY 2 3HA GLY 2 3.498 36.015 24.149 15 H HIS 3 H HIS 3 4.477 33.035 22.519 16 HA HIS 3 HA HIS 3 5.332 34.493 20.133 17 HB2 HIS 3 2HB HIS 3 7.532 33.577 20.011 18 HB3 HIS 3 3HB HIS 3 7.406 34.132 21.672 19 HD1 HIS 3 HD1 HIS 3 8.062 31.141 19.626 20 HD2 HIS 3 HD2 HIS 3 7.108 31.949 23.596 21 HE1 HIS 3 HE1 HIS 3 8.557 29.023 20.887 22 HE2 HIS 3 HE2 HIS 3 8.078 29.572 23.298 23 H HIS 4 H HIS 4 5.894 32.799 18.401 24 HA HIS 4 HA HIS 4 4.472 30.237 18.679 25 HB2 HIS 4 2HB HIS 4 4.010 32.204 16.377 26 HB3 HIS 4 3HB HIS 4 3.314 30.590 16.498 27 HD1 HIS 4 HD1 HIS 4 2.618 34.058 17.269 28 HD2 HIS 4 HD2 HIS 4 1.461 30.390 18.824 29 HE1 HIS 4 HE1 HIS 4 0.572 34.527 18.630 30 HE2 HIS 4 HE2 HIS 4 0.059 32.339 19.766 31 H HIS 5 H HIS 5 4.833 29.253 16.178 32 HA HIS 5 HA HIS 5 7.420 30.023 15.059 33 HB2 HIS 5 2HB HIS 5 8.242 27.707 14.877 34 HB3 HIS 5 3HB HIS 5 7.972 28.112 16.563 35 HD1 HIS 5 HD1 HIS 5 5.578 27.153 17.542 36 HD2 HIS 5 HD2 HIS 5 7.075 25.343 14.123 37 HE1 HIS 5 HE1 HIS 5 4.427 24.931 17.399 38 HE2 HIS 5 HE2 HIS 5 5.221 23.929 15.231 39 H HIS 6 H HIS 6 7.186 30.260 12.906 40 HA HIS 6 HA HIS 6 5.066 28.765 11.492 41 HB2 HIS 6 2HB HIS 6 4.089 30.961 12.130 42 HB3 HIS 6 3HB HIS 6 5.410 31.787 11.305 43 HD1 HIS 6 HD1 HIS 6 4.820 32.505 8.993 44 HD2 HIS 6 HD2 HIS 6 2.634 29.174 10.158 45 HE1 HIS 6 HE1 HIS 6 3.289 32.004 7.077 46 HE2 HIS 6 HE2 HIS 6 2.167 29.840 7.716 47 H HIS 7 H HIS 7 5.680 28.007 9.650 48 HA HIS 7 HA HIS 7 7.935 29.186 8.130 49 HB2 HIS 7 2HB HIS 7 6.774 26.355 8.021 50 HB3 HIS 7 3HB HIS 7 8.065 26.956 6.984 51 HD1 HIS 7 HD1 HIS 7 10.198 25.929 7.735 52 HD2 HIS 7 HD2 HIS 7 7.776 26.895 10.966 53 HE1 HIS 7 HE1 HIS 7 11.517 25.318 9.774 54 HE2 HIS 7 HE2 HIS 7 9.991 25.788 11.710 55 H HIS 8 H HIS 8 7.484 29.852 6.035 56 HA HIS 8 HA HIS 8 4.828 30.581 5.362 57 HB2 HIS 8 2HB HIS 8 6.722 31.904 4.569 58 HB3 HIS 8 3HB HIS 8 7.344 30.538 3.651 59 HD1 HIS 8 HD1 HIS 8 6.592 30.387 1.256 60 HD2 HIS 8 HD2 HIS 8 4.147 32.906 3.479 61 HE1 HIS 8 HE1 HIS 8 4.956 31.362 -0.380 62 HE2 HIS 8 HE2 HIS 8 3.381 32.732 1.021 63 H SER 9 H SER 9 6.534 27.653 4.842 64 HA SER 9 HA SER 9 5.337 26.521 2.602 65 HB2 SER 9 2HB SER 9 6.182 25.079 5.156 66 HB3 SER 9 3HB SER 9 6.047 24.376 3.543 67 HG SER 9 HG SER 9 8.037 24.954 3.306 68 H HIS 10 H HIS 10 3.127 27.136 2.563 69 HA HIS 10 HA HIS 10 1.223 26.025 4.455 70 HB2 HIS 10 2HB HIS 10 0.733 28.181 3.301 71 HB3 HIS 10 3HB HIS 10 0.797 27.371 1.743 72 HD1 HIS 10 HD1 HIS 10 -1.354 26.275 0.933 73 HD2 HIS 10 HD2 HIS 10 -1.571 27.460 4.910 74 HE1 HIS 10 HE1 HIS 10 -3.757 26.012 1.585 75 HE2 HIS 10 HE2 HIS 10 -3.898 26.900 3.935 76 H MET 11 H MET 11 1.729 23.830 4.370 77 HA MET 11 HA MET 11 2.081 21.730 3.666 78 HB2 MET 11 2HB MET 11 -0.306 21.800 3.062 79 HB3 MET 11 3HB MET 11 0.084 22.464 1.483 80 HG2 MET 11 2HG MET 11 -0.457 20.049 1.423 81 HG3 MET 11 3HG MET 11 1.168 20.405 0.825 82 HE1 MET 11 3HE MET 11 1.920 17.888 1.054 83 HE2 MET 11 1HE MET 11 0.296 17.464 1.599 84 HE3 MET 11 2HE MET 11 1.701 16.932 2.520 85 H GLY 12 H GLY 12 4.245 22.345 3.285 86 HA2 GLY 12 2HA GLY 12 5.210 21.874 0.572 87 HA3 GLY 12 3HA GLY 12 5.529 23.486 1.219 88 H SER 13 H SER 13 5.637 20.156 2.437 89 HA SER 13 HA SER 13 8.430 20.517 3.342 90 HB2 SER 13 2HB SER 13 6.186 19.211 4.965 91 HB3 SER 13 3HB SER 13 7.874 19.351 5.457 92 HG SER 13 HG SER 13 7.403 21.749 5.077 93 H GLU 14 H GLU 14 9.707 18.889 2.633 94 HA GLU 14 HA GLU 14 8.706 16.889 0.868 95 HB2 GLU 14 2HB GLU 14 11.076 16.163 0.724 96 HB3 GLU 14 3HB GLU 14 10.897 17.903 0.542 97 HG2 GLU 14 2HG GLU 14 11.510 18.105 3.012 98 HG3 GLU 14 3HG GLU 14 11.960 16.401 2.959 99 H GLU 15 H GLU 15 9.445 16.916 4.265 100 HA GLU 15 HA GLU 15 8.477 14.137 4.550 101 HB2 GLU 15 2HB GLU 15 10.741 15.456 6.115 102 HB3 GLU 15 3HB GLU 15 10.034 13.893 6.515 103 HG2 GLU 15 2HG GLU 15 10.838 12.934 4.439 104 HG3 GLU 15 3HG GLU 15 11.433 14.500 3.886 105 H ASP 16 H ASP 16 6.431 15.188 4.800 106 HA ASP 16 HA ASP 16 5.976 16.431 7.458 107 HB2 ASP 16 2HB ASP 16 3.966 17.461 6.549 108 HB3 ASP 16 3HB ASP 16 5.327 17.855 5.511 109 H ASP 17 H ASP 17 3.961 15.835 8.511 110 HA ASP 17 HA ASP 17 3.585 12.951 8.499 111 HB2 ASP 17 2HB ASP 17 2.347 13.296 10.578 112 HB3 ASP 17 3HB ASP 17 3.849 14.205 10.639 113 H GLY 18 H GLY 18 2.072 15.539 6.895 114 HA2 GLY 18 2HA GLY 18 -0.686 14.802 7.114 115 HA3 GLY 18 3HA GLY 18 0.010 15.917 5.952 116 H VAL 19 H VAL 19 1.721 14.433 4.484 117 HA VAL 19 HA VAL 19 0.150 12.866 2.733 118 HB VAL 19 HB VAL 19 3.202 12.928 3.018 119 HG11 VAL 19 1HG1 VAL 19 1.511 11.801 0.742 120 HG12 VAL 19 2HG1 VAL 19 2.526 10.869 1.843 121 HG13 VAL 19 3HG1 VAL 19 3.266 11.990 0.702 122 HG21 VAL 19 3HG2 VAL 19 3.127 14.448 1.054 123 HG22 VAL 19 1HG2 VAL 19 2.263 15.125 2.436 124 HG23 VAL 19 2HG2 VAL 19 1.363 14.412 1.094 125 H VAL 20 H VAL 20 2.462 11.993 5.268 126 HA VAL 20 HA VAL 20 2.429 9.207 5.079 127 HB VAL 20 HB VAL 20 2.889 11.045 7.473 128 HG11 VAL 20 1HG1 VAL 20 3.473 8.059 7.321 129 HG12 VAL 20 2HG1 VAL 20 2.280 8.826 8.365 130 HG13 VAL 20 3HG1 VAL 20 3.998 9.133 8.620 131 HG21 VAL 20 3HG2 VAL 20 4.851 9.572 5.658 132 HG22 VAL 20 1HG2 VAL 20 5.291 10.597 7.027 133 HG23 VAL 20 2HG2 VAL 20 4.505 11.303 5.616 134 H ALA 21 H ALA 21 0.296 11.391 6.910 135 HA ALA 21 HA ALA 21 -1.196 9.399 8.291 136 HB1 ALA 21 3HB ALA 21 -1.048 11.726 9.101 137 HB2 ALA 21 1HB ALA 21 -2.729 11.229 8.901 138 HB3 ALA 21 2HB ALA 21 -1.967 12.283 7.705 139 H MET 22 H MET 22 -1.770 11.211 5.261 140 HA MET 22 HA MET 22 -4.388 10.085 4.885 141 HB2 MET 22 2HB MET 22 -4.527 11.275 2.816 142 HB3 MET 22 3HB MET 22 -3.778 12.338 3.994 143 HG2 MET 22 2HG MET 22 -1.602 11.991 2.990 144 HG3 MET 22 3HG MET 22 -2.268 10.807 1.868 145 HE1 MET 22 3HE MET 22 -4.131 11.474 -0.020 146 HE2 MET 22 1HE MET 22 -4.640 13.133 -0.320 147 HE3 MET 22 2HE MET 22 -5.130 12.319 1.165 148 H ILE 23 H ILE 23 -1.122 9.149 3.866 149 HA ILE 23 HA ILE 23 -1.881 7.115 2.028 150 HB ILE 23 HB ILE 23 0.585 7.306 3.823 151 HG12 ILE 23 2HG1 ILE 23 0.283 7.727 0.807 152 HG13 ILE 23 3HG1 ILE 23 0.452 9.006 2.000 153 HG21 ILE 23 1HG2 ILE 23 0.053 5.249 1.634 154 HG22 ILE 23 2HG2 ILE 23 0.177 4.927 3.365 155 HG23 ILE 23 3HG2 ILE 23 1.592 5.474 2.474 156 HD11 ILE 23 3HD1 ILE 23 2.716 8.206 2.530 157 HD12 ILE 23 1HD1 ILE 23 2.531 8.626 0.828 158 HD13 ILE 23 2HD1 ILE 23 2.539 6.934 1.317 159 H LYS 24 H LYS 24 -1.288 7.097 5.562 160 HA LYS 24 HA LYS 24 -1.765 4.400 6.105 161 HB2 LYS 24 2HB LYS 24 -2.262 6.833 7.858 162 HB3 LYS 24 3HB LYS 24 -2.364 5.173 8.446 163 HG2 LYS 24 2HG LYS 24 0.039 4.855 7.846 164 HG3 LYS 24 3HG LYS 24 0.109 6.554 7.366 165 HD2 LYS 24 2HD LYS 24 -0.567 7.202 9.695 166 HD3 LYS 24 3HD LYS 24 -0.526 5.498 10.149 167 HE2 LYS 24 2HE LYS 24 1.901 5.457 9.515 168 HE3 LYS 24 3HE LYS 24 1.813 7.195 9.241 169 HZ1 LYS 24 3HZ LYS 24 2.683 6.664 11.423 170 HZ2 LYS 24 1HZ LYS 24 1.268 5.821 11.812 171 HZ3 LYS 24 2HZ LYS 24 1.210 7.492 11.552 172 H GLU 25 H GLU 25 -4.109 7.101 5.895 173 HA GLU 25 HA GLU 25 -6.315 5.515 6.804 174 HB2 GLU 25 2HB GLU 25 -7.699 7.395 6.523 175 HB3 GLU 25 3HB GLU 25 -6.136 8.104 6.898 176 HG2 GLU 25 2HG GLU 25 -5.783 8.552 4.481 177 HG3 GLU 25 3HG GLU 25 -7.375 7.870 4.139 178 H LEU 26 H LEU 26 -5.116 6.527 3.555 179 HA LEU 26 HA LEU 26 -7.186 5.418 1.993 180 HB2 LEU 26 2HB LEU 26 -4.270 5.949 1.322 181 HB3 LEU 26 3HB LEU 26 -5.428 5.389 0.130 182 HG LEU 26 HG LEU 26 -5.588 8.045 1.611 183 HD11 LEU 26 1HD1 LEU 26 -4.827 7.502 -1.270 184 HD12 LEU 26 2HD1 LEU 26 -3.728 8.003 0.017 185 HD13 LEU 26 3HD1 LEU 26 -5.006 9.091 -0.519 186 HD21 LEU 26 3HD2 LEU 26 -7.331 6.986 -0.636 187 HD22 LEU 26 1HD2 LEU 26 -7.399 8.614 0.046 188 HD23 LEU 26 2HD2 LEU 26 -7.825 7.225 1.043 189 H LEU 27 H LEU 27 -4.310 3.966 3.425 190 HA LEU 27 HA LEU 27 -4.578 1.390 2.191 191 HB2 LEU 27 2HB LEU 27 -3.194 2.241 4.763 192 HB3 LEU 27 3HB LEU 27 -3.050 0.644 4.042 193 HG LEU 27 HG LEU 27 -2.107 3.230 2.737 194 HD11 LEU 27 1HD1 LEU 27 0.163 2.485 3.224 195 HD12 LEU 27 2HD1 LEU 27 -0.461 1.083 4.097 196 HD13 LEU 27 3HD1 LEU 27 -0.762 2.712 4.707 197 HD21 LEU 27 3HD2 LEU 27 -1.681 0.352 1.864 198 HD22 LEU 27 1HD2 LEU 27 -0.996 1.785 1.093 199 HD23 LEU 27 2HD2 LEU 27 -2.737 1.528 1.079 200 H ASP 28 H ASP 28 -5.441 2.693 5.403 201 HA ASP 28 HA ASP 28 -6.284 0.226 6.491 202 HB2 ASP 28 2HB ASP 28 -5.445 2.208 7.782 203 HB3 ASP 28 3HB ASP 28 -6.974 3.024 7.464 204 H THR 29 H THR 29 -8.016 2.736 4.793 205 HA THR 29 HA THR 29 -10.656 1.752 5.554 206 HB THR 29 HB THR 29 -11.493 3.764 4.330 207 HG1 THR 29 HG1 THR 29 -9.185 5.061 3.942 208 HG21 THR 29 3HG2 THR 29 -9.223 4.436 6.231 209 HG22 THR 29 1HG2 THR 29 -10.871 4.018 6.714 210 HG23 THR 29 2HG2 THR 29 -10.565 5.498 5.804 211 H ARG 30 H ARG 30 -8.450 1.569 2.835 212 HA ARG 30 HA ARG 30 -10.613 0.576 1.039 213 HB2 ARG 30 2HB ARG 30 -8.027 1.950 0.211 214 HB3 ARG 30 3HB ARG 30 -9.361 1.494 -0.851 215 HG2 ARG 30 2HG ARG 30 -10.808 3.163 0.122 216 HG3 ARG 30 3HG ARG 30 -9.659 3.497 1.417 217 HD2 ARG 30 2HD ARG 30 -9.534 5.295 -0.157 218 HD3 ARG 30 3HD ARG 30 -8.055 4.350 -0.309 219 HE ARG 30 HE ARG 30 -9.122 3.308 -2.324 220 HH11 ARG 30 1HH1 ARG 30 -10.120 6.528 -1.287 221 HH12 ARG 30 2HH1 ARG 30 -10.615 7.017 -2.876 222 HH21 ARG 30 1HH2 ARG 30 -9.732 3.999 -4.408 223 HH22 ARG 30 2HH2 ARG 30 -10.395 5.585 -4.638 224 H ILE 31 H ILE 31 -7.067 0.273 1.609 225 HA ILE 31 HA ILE 31 -6.856 -2.015 -0.170 226 HB ILE 31 HB ILE 31 -4.749 -0.701 1.606 227 HG12 ILE 31 2HG1 ILE 31 -5.587 0.808 -0.186 228 HG13 ILE 31 3HG1 ILE 31 -3.909 0.361 -0.451 229 HG21 ILE 31 1HG2 ILE 31 -4.117 -3.026 1.139 230 HG22 ILE 31 2HG2 ILE 31 -3.061 -1.924 0.262 231 HG23 ILE 31 3HG2 ILE 31 -4.354 -2.773 -0.594 232 HD11 ILE 31 3HD1 ILE 31 -5.184 0.410 -2.516 233 HD12 ILE 31 1HD1 ILE 31 -6.287 -0.811 -1.882 234 HD13 ILE 31 2HD1 ILE 31 -4.594 -1.215 -2.175 235 H ARG 32 H ARG 32 -6.067 -1.521 3.307 236 HA ARG 32 HA ARG 32 -5.411 -4.065 4.025 237 HB2 ARG 32 2HB ARG 32 -6.848 -2.037 5.774 238 HB3 ARG 32 3HB ARG 32 -6.132 -3.527 6.372 239 HG2 ARG 32 2HG ARG 32 -3.895 -2.671 5.470 240 HG3 ARG 32 3HG ARG 32 -4.697 -1.118 5.214 241 HD2 ARG 32 2HD ARG 32 -3.509 -1.115 7.358 242 HD3 ARG 32 3HD ARG 32 -5.253 -1.037 7.657 243 HE ARG 32 HE ARG 32 -3.818 -3.617 7.716 244 HH11 ARG 32 1HH1 ARG 32 -5.713 -1.271 9.504 245 HH12 ARG 32 2HH1 ARG 32 -5.950 -2.332 10.846 246 HH21 ARG 32 1HH2 ARG 32 -4.204 -4.992 9.442 247 HH22 ARG 32 2HH2 ARG 32 -5.104 -4.436 10.815 248 HA PRO 33 HA PRO 33 -10.278 -5.072 5.032 249 HB2 PRO 33 2HB PRO 33 -11.237 -3.474 2.632 250 HB3 PRO 33 3HB PRO 33 -12.110 -3.888 4.129 251 HG2 PRO 33 2HG PRO 33 -11.126 -1.451 3.816 252 HG3 PRO 33 3HG PRO 33 -10.986 -2.274 5.390 253 HD2 PRO 33 2HD PRO 33 -8.874 -1.817 3.305 254 HD3 PRO 33 3HD PRO 33 -8.728 -1.830 5.075 255 H THR 34 H THR 34 -9.329 -4.330 1.661 256 HA THR 34 HA THR 34 -10.405 -6.600 0.418 257 HB THR 34 HB THR 34 -8.086 -4.828 -0.470 258 HG1 THR 34 HG1 THR 34 -10.858 -4.539 -0.421 259 HG21 THR 34 3HG2 THR 34 -9.862 -6.646 -2.155 260 HG22 THR 34 1HG2 THR 34 -8.148 -6.896 -1.830 261 HG23 THR 34 2HG2 THR 34 -8.669 -5.507 -2.785 262 H VAL 35 H VAL 35 -7.084 -6.017 1.629 263 HA VAL 35 HA VAL 35 -6.008 -8.514 0.707 264 HB VAL 35 HB VAL 35 -4.771 -6.878 2.977 265 HG11 VAL 35 1HG1 VAL 35 -3.702 -9.053 2.491 266 HG12 VAL 35 2HG1 VAL 35 -2.629 -7.732 2.039 267 HG13 VAL 35 3HG1 VAL 35 -3.522 -8.609 0.792 268 HG21 VAL 35 3HG2 VAL 35 -3.573 -5.525 1.285 269 HG22 VAL 35 1HG2 VAL 35 -5.317 -5.282 1.174 270 HG23 VAL 35 2HG2 VAL 35 -4.494 -6.303 -0.002 271 H GLN 36 H GLN 36 -7.550 -7.454 3.679 272 HA GLN 36 HA GLN 36 -6.955 -9.789 5.233 273 HB2 GLN 36 2HB GLN 36 -8.991 -7.572 5.631 274 HB3 GLN 36 3HB GLN 36 -8.762 -8.890 6.781 275 HG2 GLN 36 2HG GLN 36 -6.461 -8.190 7.183 276 HG3 GLN 36 3HG GLN 36 -6.596 -6.932 5.955 277 HE21 GLN 36 1HE2 GLN 36 -6.111 -5.281 7.406 278 HE22 GLN 36 2HE2 GLN 36 -7.185 -4.778 8.660 279 H GLU 37 H GLU 37 -9.547 -8.911 2.979 280 HA GLU 37 HA GLU 37 -11.202 -11.199 3.518 281 HB2 GLU 37 2HB GLU 37 -10.975 -9.674 0.884 282 HB3 GLU 37 3HB GLU 37 -12.295 -10.730 1.371 283 HG2 GLU 37 2HG GLU 37 -11.605 -7.993 2.458 284 HG3 GLU 37 3HG GLU 37 -13.040 -8.460 1.560 285 H ASP 38 H ASP 38 -8.476 -10.479 1.411 286 HA ASP 38 HA ASP 38 -8.358 -12.949 -0.021 287 HB2 ASP 38 2HB ASP 38 -7.373 -10.888 -0.910 288 HB3 ASP 38 3HB ASP 38 -6.306 -10.749 0.480 289 H GLY 39 H GLY 39 -7.212 -11.945 3.125 290 HA2 GLY 39 2HA GLY 39 -7.090 -13.841 4.715 291 HA3 GLY 39 3HA GLY 39 -6.046 -14.653 3.561 292 H GLY 40 H GLY 40 -4.851 -11.776 3.114 293 HA2 GLY 40 2HA GLY 40 -2.824 -11.993 5.277 294 HA3 GLY 40 3HA GLY 40 -2.576 -11.271 3.695 295 H ASP 41 H ASP 41 -1.817 -9.335 4.452 296 HA ASP 41 HA ASP 41 -3.677 -7.266 4.943 297 HB2 ASP 41 2HB ASP 41 -3.586 -8.261 7.289 298 HB3 ASP 41 3HB ASP 41 -1.865 -7.886 7.332 299 H VAL 42 H VAL 42 -2.518 -5.133 5.248 300 HA VAL 42 HA VAL 42 0.295 -5.151 4.344 301 HB VAL 42 HB VAL 42 -0.108 -3.082 2.997 302 HG11 VAL 42 1HG1 VAL 42 -1.183 -4.160 1.053 303 HG12 VAL 42 2HG1 VAL 42 -1.826 -5.429 2.098 304 HG13 VAL 42 3HG1 VAL 42 -0.085 -5.280 1.862 305 HG21 VAL 42 3HG2 VAL 42 -2.393 -2.381 2.388 306 HG22 VAL 42 1HG2 VAL 42 -2.149 -2.251 4.130 307 HG23 VAL 42 2HG2 VAL 42 -3.073 -3.599 3.468 308 H ILE 43 H ILE 43 1.581 -4.096 5.684 309 HA ILE 43 HA ILE 43 0.451 -2.277 7.737 310 HB ILE 43 HB ILE 43 3.024 -3.942 7.854 311 HG12 ILE 43 2HG1 ILE 43 1.835 -5.046 9.878 312 HG13 ILE 43 3HG1 ILE 43 0.350 -4.308 9.299 313 HG21 ILE 43 1HG2 ILE 43 3.269 -3.140 10.189 314 HG22 ILE 43 2HG2 ILE 43 1.871 -2.084 9.973 315 HG23 ILE 43 3HG2 ILE 43 3.334 -1.813 9.028 316 HD11 ILE 43 3HD1 ILE 43 0.567 -6.654 8.677 317 HD12 ILE 43 1HD1 ILE 43 2.033 -6.288 7.769 318 HD13 ILE 43 2HD1 ILE 43 0.482 -5.611 7.260 319 H TYR 44 H TYR 44 1.020 -0.174 7.556 320 HA TYR 44 HA TYR 44 2.758 0.825 5.557 321 HB2 TYR 44 2HB TYR 44 0.874 2.149 6.436 322 HB3 TYR 44 3HB TYR 44 1.639 2.232 8.018 323 HD1 TYR 44 HD2 TYR 44 2.187 3.192 4.424 324 HD2 TYR 44 HD1 TYR 44 3.094 4.057 8.513 325 HE1 TYR 44 HE2 TYR 44 3.337 5.254 3.740 326 HE2 TYR 44 HE1 TYR 44 4.233 6.102 7.835 327 HH TYR 44 HH TYR 44 5.290 7.070 5.892 328 H LYS 45 H LYS 45 4.905 0.642 5.546 329 HA LYS 45 HA LYS 45 6.457 0.366 8.025 330 HB2 LYS 45 2HB LYS 45 7.227 -0.004 5.102 331 HB3 LYS 45 3HB LYS 45 8.321 -0.255 6.453 332 HG2 LYS 45 2HG LYS 45 5.732 -1.794 6.418 333 HG3 LYS 45 3HG LYS 45 7.003 -2.277 5.308 334 HD2 LYS 45 2HD LYS 45 7.216 -3.640 7.280 335 HD3 LYS 45 3HD LYS 45 8.566 -2.511 7.268 336 HE2 LYS 45 2HE LYS 45 7.347 -1.093 8.924 337 HE3 LYS 45 3HE LYS 45 6.056 -2.299 8.962 338 HZ1 LYS 45 3HZ LYS 45 7.698 -2.477 10.774 339 HZ2 LYS 45 1HZ LYS 45 8.882 -2.874 9.632 340 HZ3 LYS 45 2HZ LYS 45 7.543 -3.884 9.854 341 H GLY 46 H GLY 46 6.261 2.470 5.149 342 HA2 GLY 46 2HA GLY 46 6.904 4.835 6.488 343 HA3 GLY 46 3HA GLY 46 8.412 4.196 5.844 344 H PHE 47 H PHE 47 8.042 6.460 4.915 345 HA PHE 47 HA PHE 47 7.523 6.118 2.096 346 HB2 PHE 47 2HB PHE 47 5.281 6.871 2.791 347 HB3 PHE 47 3HB PHE 47 5.977 8.211 3.699 348 HD1 PHE 47 HD2 PHE 47 5.835 6.842 0.209 349 HD2 PHE 47 HD1 PHE 47 6.100 10.347 2.645 350 HE1 PHE 47 HE2 PHE 47 5.696 8.246 -1.790 351 HE2 PHE 47 HE1 PHE 47 5.967 11.745 0.625 352 HZ PHE 47 HZ PHE 47 5.784 10.690 -1.597 353 H GLU 48 H GLU 48 9.317 6.902 1.220 354 HA GLU 48 HA GLU 48 10.412 9.482 2.047 355 HB2 GLU 48 2HB GLU 48 12.733 8.537 2.194 356 HB3 GLU 48 3HB GLU 48 11.664 7.978 3.476 357 HG2 GLU 48 2HG GLU 48 11.357 5.833 2.276 358 HG3 GLU 48 3HG GLU 48 12.441 6.393 1.005 359 H ASP 49 H ASP 49 11.591 10.514 0.447 360 HA ASP 49 HA ASP 49 11.995 11.280 -1.630 361 HB2 ASP 49 2HB ASP 49 13.549 9.418 -1.939 362 HB3 ASP 49 3HB ASP 49 12.238 8.312 -2.303 363 H GLY 50 H GLY 50 10.274 8.411 -2.764 364 HA2 GLY 50 2HA GLY 50 7.678 9.666 -2.880 365 HA3 GLY 50 3HA GLY 50 8.419 9.361 -4.449 366 H ILE 51 H ILE 51 9.327 7.193 -1.977 367 HA ILE 51 HA ILE 51 7.815 5.039 -3.293 368 HB ILE 51 HB ILE 51 10.391 4.825 -1.668 369 HG12 ILE 51 2HG1 ILE 51 10.858 6.100 -3.718 370 HG13 ILE 51 3HG1 ILE 51 11.566 4.498 -3.846 371 HG21 ILE 51 1HG2 ILE 51 10.551 2.552 -2.639 372 HG22 ILE 51 2HG2 ILE 51 8.991 2.781 -3.433 373 HG23 ILE 51 3HG2 ILE 51 9.089 2.749 -1.672 374 HD11 ILE 51 3HD1 ILE 51 10.605 5.195 -5.943 375 HD12 ILE 51 1HD1 ILE 51 9.032 5.443 -5.185 376 HD13 ILE 51 2HD1 ILE 51 9.710 3.816 -5.307 377 H VAL 52 H VAL 52 6.148 4.322 -2.134 378 HA VAL 52 HA VAL 52 5.969 4.668 0.762 379 HB VAL 52 HB VAL 52 3.970 3.254 -1.064 380 HG11 VAL 52 1HG1 VAL 52 3.611 4.544 1.675 381 HG12 VAL 52 2HG1 VAL 52 3.659 2.811 1.341 382 HG13 VAL 52 3HG1 VAL 52 2.333 3.790 0.718 383 HG21 VAL 52 3HG2 VAL 52 3.982 6.207 -0.326 384 HG22 VAL 52 1HG2 VAL 52 2.717 5.369 -1.224 385 HG23 VAL 52 2HG2 VAL 52 4.323 5.544 -1.925 386 H GLN 53 H GLN 53 7.022 3.174 1.967 387 HA GLN 53 HA GLN 53 7.587 0.491 0.951 388 HB2 GLN 53 2HB GLN 53 8.394 1.903 3.532 389 HB3 GLN 53 3HB GLN 53 8.905 0.276 3.082 390 HG2 GLN 53 2HG GLN 53 10.101 1.142 1.142 391 HG3 GLN 53 3HG GLN 53 9.513 2.768 1.475 392 HE21 GLN 53 1HE2 GLN 53 11.602 3.573 1.623 393 HE22 GLN 53 2HE2 GLN 53 12.635 3.248 2.967 394 H LEU 54 H LEU 54 6.274 -1.175 1.408 395 HA LEU 54 HA LEU 54 4.456 -1.048 3.740 396 HB2 LEU 54 2HB LEU 54 3.718 -1.901 0.913 397 HB3 LEU 54 3HB LEU 54 2.676 -2.078 2.319 398 HG LEU 54 HG LEU 54 3.613 0.562 1.130 399 HD11 LEU 54 1HD1 LEU 54 1.285 0.893 0.486 400 HD12 LEU 54 2HD1 LEU 54 0.879 -0.718 1.081 401 HD13 LEU 54 3HD1 LEU 54 1.977 -0.531 -0.288 402 HD21 LEU 54 3HD2 LEU 54 1.749 0.057 3.470 403 HD22 LEU 54 1HD2 LEU 54 2.056 1.627 2.719 404 HD23 LEU 54 2HD2 LEU 54 3.359 0.778 3.543 405 H LYS 55 H LYS 55 4.180 -2.891 4.787 406 HA LYS 55 HA LYS 55 5.764 -5.228 4.129 407 HB2 LYS 55 2HB LYS 55 5.737 -4.461 6.470 408 HB3 LYS 55 3HB LYS 55 3.987 -4.632 6.524 409 HG2 LYS 55 2HG LYS 55 4.364 -7.121 6.008 410 HG3 LYS 55 3HG LYS 55 6.068 -6.823 6.350 411 HD2 LYS 55 2HD LYS 55 5.546 -6.146 8.629 412 HD3 LYS 55 3HD LYS 55 3.813 -6.253 8.303 413 HE2 LYS 55 2HE LYS 55 4.129 -8.710 7.844 414 HE3 LYS 55 3HE LYS 55 5.803 -8.542 8.382 415 HZ1 LYS 55 3HZ LYS 55 4.892 -7.699 10.511 416 HZ2 LYS 55 1HZ LYS 55 4.526 -9.319 10.185 417 HZ3 LYS 55 2HZ LYS 55 3.346 -8.123 9.978 418 H LEU 56 H LEU 56 4.907 -6.792 2.904 419 HA LEU 56 HA LEU 56 1.989 -7.216 2.831 420 HB2 LEU 56 2HB LEU 56 4.165 -8.673 1.271 421 HB3 LEU 56 3HB LEU 56 2.431 -8.790 1.017 422 HG LEU 56 HG LEU 56 4.242 -6.436 0.374 423 HD11 LEU 56 1HD1 LEU 56 2.471 -8.132 -1.404 424 HD12 LEU 56 2HD1 LEU 56 4.234 -8.193 -1.306 425 HD13 LEU 56 3HD1 LEU 56 3.439 -6.747 -1.920 426 HD21 LEU 56 3HD2 LEU 56 2.246 -5.204 -0.398 427 HD22 LEU 56 1HD2 LEU 56 2.219 -5.489 1.342 428 HD23 LEU 56 2HD2 LEU 56 1.213 -6.466 0.274 429 H GLN 57 H GLN 57 1.074 -9.176 3.527 430 HA GLN 57 HA GLN 57 2.567 -10.542 5.653 431 HB2 GLN 57 2HB GLN 57 -0.340 -10.137 4.995 432 HB3 GLN 57 3HB GLN 57 0.050 -11.640 5.806 433 HG2 GLN 57 2HG GLN 57 0.725 -8.887 6.868 434 HG3 GLN 57 3HG GLN 57 -0.673 -9.851 7.343 435 HE21 GLN 57 1HE2 GLN 57 1.453 -8.902 9.035 436 HE22 GLN 57 2HE2 GLN 57 2.183 -10.294 9.748 437 H GLY 58 H GLY 58 2.308 -12.890 5.915 438 HA2 GLY 58 2HA GLY 58 3.257 -14.274 3.602 439 HA3 GLY 58 3HA GLY 58 3.008 -14.950 5.199 440 H SER 59 H SER 59 1.198 -13.795 2.403 441 HA SER 59 HA SER 59 -0.529 -16.086 2.235 442 HB2 SER 59 2HB SER 59 -1.744 -13.343 2.866 443 HB3 SER 59 3HB SER 59 -2.644 -14.811 2.488 444 HG SER 59 HG SER 59 -1.316 -15.603 4.447 445 H CYS 60 H CYS 60 -0.407 -12.618 1.356 446 HA CYS 60 HA CYS 60 -0.908 -12.986 -1.431 447 HB2 CYS 60 2HB CYS 60 -1.404 -10.836 -0.393 448 HB3 CYS 60 3HB CYS 60 0.274 -10.642 0.109 449 HG CYS 60 HG CYS 60 -1.157 -9.681 -2.675 450 H THR 61 H THR 61 2.002 -12.724 0.547 451 HA THR 61 HA THR 61 3.951 -12.489 -1.471 452 HB THR 61 HB THR 61 5.536 -13.382 0.323 453 HG1 THR 61 HG1 THR 61 4.699 -13.982 2.250 454 HG21 THR 61 3HG2 THR 61 5.090 -10.959 0.151 455 HG22 THR 61 1HG2 THR 61 5.282 -11.451 1.836 456 HG23 THR 61 2HG2 THR 61 3.672 -11.140 1.187 457 H SER 62 H SER 62 2.192 -15.257 -0.265 458 HA SER 62 HA SER 62 3.880 -17.381 -0.983 459 HB2 SER 62 2HB SER 62 0.839 -17.373 -0.882 460 HB3 SER 62 3HB SER 62 1.890 -18.786 -0.735 461 HG SER 62 HG SER 62 2.838 -17.450 1.094 462 H CYS 63 H CYS 63 1.854 -15.361 -2.974 463 HA CYS 63 HA CYS 63 2.600 -16.912 -5.382 464 HB2 CYS 63 2HB CYS 63 0.038 -15.328 -4.923 465 HB3 CYS 63 3HB CYS 63 0.501 -16.116 -6.437 466 HG CYS 63 HG CYS 63 -0.166 -17.710 -3.482 467 HA PRO 64 HA PRO 64 4.952 -13.038 -5.930 468 HB2 PRO 64 2HB PRO 64 5.974 -13.685 -8.463 469 HB3 PRO 64 3HB PRO 64 6.695 -14.191 -6.921 470 HG2 PRO 64 2HG PRO 64 4.863 -15.724 -8.740 471 HG3 PRO 64 3HG PRO 64 6.321 -16.277 -7.878 472 HD2 PRO 64 2HD PRO 64 3.877 -16.864 -6.932 473 HD3 PRO 64 3HD PRO 64 5.198 -16.451 -5.816 474 H SER 65 H SER 65 2.611 -14.314 -8.245 475 HA SER 65 HA SER 65 2.351 -11.911 -9.796 476 HB2 SER 65 2HB SER 65 1.760 -14.168 -10.687 477 HB3 SER 65 3HB SER 65 0.417 -14.255 -9.545 478 HG SER 65 HG SER 65 0.539 -13.062 -11.956 479 H SER 66 H SER 66 0.735 -13.206 -6.884 480 HA SER 66 HA SER 66 -1.321 -11.248 -6.677 481 HB2 SER 66 2HB SER 66 0.045 -12.862 -4.478 482 HB3 SER 66 3HB SER 66 -1.433 -11.919 -4.260 483 HG SER 66 HG SER 66 -1.113 -14.059 -6.096 484 H ILE 67 H ILE 67 2.048 -11.356 -5.597 485 HA ILE 67 HA ILE 67 2.183 -9.024 -4.035 486 HB ILE 67 HB ILE 67 4.327 -10.280 -5.809 487 HG12 ILE 67 2HG1 ILE 67 3.812 -10.629 -2.814 488 HG13 ILE 67 3HG1 ILE 67 3.455 -11.822 -4.059 489 HG21 ILE 67 1HG2 ILE 67 5.997 -9.073 -4.420 490 HG22 ILE 67 2HG2 ILE 67 4.688 -8.246 -3.575 491 HG23 ILE 67 3HG2 ILE 67 4.942 -7.962 -5.296 492 HD11 ILE 67 3HD1 ILE 67 5.883 -11.982 -4.548 493 HD12 ILE 67 1HD1 ILE 67 5.470 -12.425 -2.891 494 HD13 ILE 67 2HD1 ILE 67 6.191 -10.854 -3.224 495 H ILE 68 H ILE 68 2.802 -9.489 -7.530 496 HA ILE 68 HA ILE 68 3.481 -6.834 -8.175 497 HB ILE 68 HB ILE 68 2.261 -8.997 -9.955 498 HG12 ILE 68 2HG1 ILE 68 5.181 -8.191 -9.515 499 HG13 ILE 68 3HG1 ILE 68 4.421 -9.671 -8.942 500 HG21 ILE 68 1HG2 ILE 68 3.157 -7.736 -11.891 501 HG22 ILE 68 2HG2 ILE 68 3.682 -6.440 -10.814 502 HG23 ILE 68 3HG2 ILE 68 1.963 -6.786 -11.006 503 HD11 ILE 68 3HD1 ILE 68 5.796 -10.126 -10.866 504 HD12 ILE 68 1HD1 ILE 68 4.939 -8.918 -11.822 505 HD13 ILE 68 2HD1 ILE 68 4.105 -10.383 -11.294 506 H THR 69 H THR 69 0.352 -8.534 -8.457 507 HA THR 69 HA THR 69 -1.179 -6.446 -9.552 508 HB THR 69 HB THR 69 -2.162 -8.713 -7.755 509 HG1 THR 69 HG1 THR 69 -2.095 -9.976 -9.497 510 HG21 THR 69 3HG2 THR 69 -3.650 -7.133 -9.898 511 HG22 THR 69 1HG2 THR 69 -3.905 -6.983 -8.158 512 HG23 THR 69 2HG2 THR 69 -4.295 -8.493 -8.979 513 H LEU 70 H LEU 70 -0.674 -7.421 -6.158 514 HA LEU 70 HA LEU 70 -2.496 -5.627 -4.971 515 HB2 LEU 70 2HB LEU 70 -1.627 -7.639 -3.826 516 HB3 LEU 70 3HB LEU 70 -0.021 -6.931 -3.775 517 HG LEU 70 HG LEU 70 -0.787 -5.194 -2.206 518 HD11 LEU 70 1HD1 LEU 70 -3.529 -6.469 -2.416 519 HD12 LEU 70 2HD1 LEU 70 -3.063 -4.861 -2.975 520 HD13 LEU 70 3HD1 LEU 70 -3.065 -5.221 -1.253 521 HD21 LEU 70 3HD2 LEU 70 -1.625 -7.970 -1.294 522 HD22 LEU 70 1HD2 LEU 70 -1.270 -6.597 -0.239 523 HD23 LEU 70 2HD2 LEU 70 0.006 -7.293 -1.232 524 H LYS 71 H LYS 71 1.049 -5.478 -5.297 525 HA LYS 71 HA LYS 71 1.512 -2.984 -4.155 526 HB2 LYS 71 2HB LYS 71 3.262 -4.653 -4.603 527 HB3 LYS 71 3HB LYS 71 3.061 -4.450 -6.331 528 HG2 LYS 71 2HG LYS 71 3.907 -2.095 -4.641 529 HG3 LYS 71 3HG LYS 71 5.088 -3.333 -5.055 530 HD2 LYS 71 2HD LYS 71 3.479 -1.693 -7.064 531 HD3 LYS 71 3HD LYS 71 5.157 -1.398 -6.619 532 HE2 LYS 71 2HE LYS 71 5.798 -3.585 -7.541 533 HE3 LYS 71 3HE LYS 71 4.117 -3.928 -7.948 534 HZ1 LYS 71 3HZ LYS 71 5.749 -1.722 -9.064 535 HZ2 LYS 71 1HZ LYS 71 4.143 -2.070 -9.470 536 HZ3 LYS 71 2HZ LYS 71 5.369 -3.168 -9.850 537 H ASN 72 H ASN 72 0.757 -3.806 -7.536 538 HA ASN 72 HA ASN 72 1.038 -1.203 -8.631 539 HB2 ASN 72 2HB ASN 72 -0.440 -3.662 -9.601 540 HB3 ASN 72 3HB ASN 72 -0.449 -2.165 -10.522 541 HD21 ASN 72 1HD2 ASN 72 0.572 -4.726 -11.307 542 HD22 ASN 72 2HD2 ASN 72 2.248 -4.506 -11.660 543 H GLY 73 H GLY 73 -1.789 -2.948 -7.360 544 HA2 GLY 73 2HA GLY 73 -3.796 -1.077 -8.018 545 HA3 GLY 73 3HA GLY 73 -3.880 -2.269 -6.725 546 H ILE 74 H ILE 74 -1.830 -1.496 -5.091 547 HA ILE 74 HA ILE 74 -2.913 0.608 -3.536 548 HB ILE 74 HB ILE 74 -0.086 -0.566 -3.413 549 HG12 ILE 74 2HG1 ILE 74 -2.527 -1.375 -1.756 550 HG13 ILE 74 3HG1 ILE 74 -1.895 -2.296 -3.111 551 HG21 ILE 74 1HG2 ILE 74 -1.639 1.035 -1.338 552 HG22 ILE 74 2HG2 ILE 74 -0.215 1.570 -2.233 553 HG23 ILE 74 3HG2 ILE 74 -0.080 0.265 -1.067 554 HD11 ILE 74 3HD1 ILE 74 -1.202 -3.256 -0.997 555 HD12 ILE 74 1HD1 ILE 74 -0.436 -1.740 -0.526 556 HD13 ILE 74 2HD1 ILE 74 0.199 -2.666 -1.888 557 H GLN 75 H GLN 75 -0.110 0.382 -5.686 558 HA GLN 75 HA GLN 75 1.066 2.873 -5.242 559 HB2 GLN 75 2HB GLN 75 2.184 0.997 -6.405 560 HB3 GLN 75 3HB GLN 75 1.090 1.182 -7.773 561 HG2 GLN 75 2HG GLN 75 2.026 3.525 -8.068 562 HG3 GLN 75 3HG GLN 75 3.231 3.122 -6.845 563 HE21 GLN 75 1HE2 GLN 75 4.819 1.567 -7.357 564 HE22 GLN 75 2HE2 GLN 75 5.187 1.152 -8.990 565 H ASN 76 H ASN 76 -1.191 1.854 -7.780 566 HA ASN 76 HA ASN 76 -1.335 4.338 -9.130 567 HB2 ASN 76 2HB ASN 76 -3.092 1.858 -9.218 568 HB3 ASN 76 3HB ASN 76 -3.414 3.268 -10.217 569 HD21 ASN 76 1HD2 ASN 76 -0.153 2.014 -9.485 570 HD22 ASN 76 2HD2 ASN 76 0.193 1.525 -11.099 571 H MET 77 H MET 77 -3.270 2.873 -6.536 572 HA MET 77 HA MET 77 -5.363 4.803 -6.448 573 HB2 MET 77 2HB MET 77 -5.433 2.574 -5.296 574 HB3 MET 77 3HB MET 77 -4.227 3.145 -4.154 575 HG2 MET 77 2HG MET 77 -5.945 5.025 -3.604 576 HG3 MET 77 3HG MET 77 -7.113 3.988 -4.423 577 HE1 MET 77 3HE MET 77 -4.813 2.867 -0.588 578 HE2 MET 77 1HE MET 77 -4.699 4.426 -1.404 579 HE3 MET 77 2HE MET 77 -4.008 2.984 -2.153 580 H LEU 78 H LEU 78 -2.340 4.513 -4.545 581 HA LEU 78 HA LEU 78 -2.631 6.844 -2.994 582 HB2 LEU 78 2HB LEU 78 -0.161 5.260 -3.765 583 HB3 LEU 78 3HB LEU 78 -0.116 6.603 -2.636 584 HG LEU 78 HG LEU 78 -1.669 4.018 -2.220 585 HD11 LEU 78 1HD1 LEU 78 0.893 4.953 -0.901 586 HD12 LEU 78 2HD1 LEU 78 0.741 3.650 -2.085 587 HD13 LEU 78 3HD1 LEU 78 -0.017 3.492 -0.504 588 HD21 LEU 78 3HD2 LEU 78 -2.054 4.815 0.076 589 HD22 LEU 78 1HD2 LEU 78 -2.771 5.911 -1.103 590 HD23 LEU 78 2HD2 LEU 78 -1.256 6.343 -0.306 591 H GLN 79 H GLN 79 -1.073 6.295 -6.147 592 HA GLN 79 HA GLN 79 0.054 8.878 -6.498 593 HB2 GLN 79 2HB GLN 79 -0.753 6.720 -8.469 594 HB3 GLN 79 3HB GLN 79 -0.080 8.255 -9.011 595 HG2 GLN 79 2HG GLN 79 1.941 7.795 -7.624 596 HG3 GLN 79 3HG GLN 79 1.280 6.204 -7.246 597 HE21 GLN 79 1HE2 GLN 79 3.156 5.285 -8.216 598 HE22 GLN 79 2HE2 GLN 79 3.313 5.171 -9.929 599 H PHE 80 H PHE 80 -3.114 7.522 -7.176 600 HA PHE 80 HA PHE 80 -4.126 9.507 -8.898 601 HB2 PHE 80 2HB PHE 80 -5.050 7.184 -8.580 602 HB3 PHE 80 3HB PHE 80 -5.691 7.686 -7.022 603 HD1 PHE 80 HD1 PHE 80 -5.976 8.200 -10.701 604 HD2 PHE 80 HD2 PHE 80 -7.782 8.916 -6.884 605 HE1 PHE 80 HE1 PHE 80 -8.037 8.950 -11.807 606 HE2 PHE 80 HE2 PHE 80 -9.831 9.662 -8.005 607 HZ PHE 80 HZ PHE 80 -9.967 9.682 -10.462 608 H TYR 81 H TYR 81 -3.977 9.303 -5.393 609 HA TYR 81 HA TYR 81 -5.483 11.834 -5.085 610 HB2 TYR 81 2HB TYR 81 -4.745 9.711 -3.031 611 HB3 TYR 81 3HB TYR 81 -5.652 11.181 -2.672 612 HD1 TYR 81 HD1 TYR 81 -7.923 11.517 -3.832 613 HD2 TYR 81 HD2 TYR 81 -5.895 7.753 -3.846 614 HE1 TYR 81 HE1 TYR 81 -10.022 10.389 -4.423 615 HE2 TYR 81 HE2 TYR 81 -7.985 6.626 -4.441 616 HH TYR 81 HH TYR 81 -10.769 8.300 -5.484 617 H ILE 82 H ILE 82 -2.258 10.554 -4.933 618 HA ILE 82 HA ILE 82 -1.219 12.989 -3.595 619 HB ILE 82 HB ILE 82 -0.129 10.191 -3.030 620 HG12 ILE 82 2HG1 ILE 82 -1.830 11.844 -1.098 621 HG13 ILE 82 3HG1 ILE 82 -2.468 10.526 -2.075 622 HG21 ILE 82 1HG2 ILE 82 1.142 11.295 -1.217 623 HG22 ILE 82 2HG2 ILE 82 0.461 12.856 -1.680 624 HG23 ILE 82 3HG2 ILE 82 1.519 11.991 -2.793 625 HD11 ILE 82 3HD1 ILE 82 -0.942 8.969 -0.957 626 HD12 ILE 82 1HD1 ILE 82 -2.018 9.790 0.174 627 HD13 ILE 82 2HD1 ILE 82 -0.336 10.297 0.037 628 HA PRO 83 HA PRO 83 1.269 12.512 -7.454 629 HB2 PRO 83 2HB PRO 83 2.260 15.071 -7.508 630 HB3 PRO 83 3HB PRO 83 0.607 14.682 -8.026 631 HG2 PRO 83 2HG PRO 83 1.537 15.764 -5.374 632 HG3 PRO 83 3HG PRO 83 0.175 16.298 -6.393 633 HD2 PRO 83 2HD PRO 83 -0.213 14.669 -4.261 634 HD3 PRO 83 3HD PRO 83 -1.199 14.528 -5.732 635 H GLU 84 H GLU 84 2.260 13.144 -4.200 636 HA GLU 84 HA GLU 84 5.090 13.289 -4.533 637 HB2 GLU 84 2HB GLU 84 3.374 12.509 -2.152 638 HB3 GLU 84 3HB GLU 84 5.129 12.520 -2.067 639 HG2 GLU 84 2HG GLU 84 4.182 14.558 -1.110 640 HG3 GLU 84 3HG GLU 84 5.187 14.911 -2.510 641 H VAL 85 H VAL 85 2.816 10.621 -4.200 642 HA VAL 85 HA VAL 85 4.726 8.529 -3.848 643 HB VAL 85 HB VAL 85 1.851 8.388 -4.885 644 HG11 VAL 85 1HG1 VAL 85 1.919 5.985 -4.222 645 HG12 VAL 85 2HG1 VAL 85 3.633 6.139 -3.833 646 HG13 VAL 85 3HG1 VAL 85 3.086 6.338 -5.498 647 HG21 VAL 85 3HG2 VAL 85 1.254 7.766 -2.560 648 HG22 VAL 85 1HG2 VAL 85 1.991 9.367 -2.615 649 HG23 VAL 85 2HG2 VAL 85 2.931 7.983 -2.056 650 H GLU 86 H GLU 86 6.292 8.455 -5.388 651 HA GLU 86 HA GLU 86 5.763 8.357 -8.231 652 HB2 GLU 86 2HB GLU 86 8.285 7.803 -6.612 653 HB3 GLU 86 3HB GLU 86 8.224 7.829 -8.374 654 HG2 GLU 86 2HG GLU 86 7.657 10.182 -6.532 655 HG3 GLU 86 3HG GLU 86 9.126 9.934 -7.472 656 H GLY 87 H GLY 87 6.145 6.092 -5.576 657 HA2 GLY 87 2HA GLY 87 5.149 3.870 -7.069 658 HA3 GLY 87 3HA GLY 87 6.889 3.749 -6.852 659 H VAL 88 H VAL 88 5.993 1.735 -5.820 660 HA VAL 88 HA VAL 88 5.782 2.075 -2.903 661 HB VAL 88 HB VAL 88 3.925 0.316 -4.589 662 HG11 VAL 88 1HG1 VAL 88 4.232 0.248 -1.548 663 HG12 VAL 88 2HG1 VAL 88 4.676 -1.041 -2.667 664 HG13 VAL 88 3HG1 VAL 88 2.983 -0.597 -2.470 665 HG21 VAL 88 3HG2 VAL 88 3.147 2.642 -4.306 666 HG22 VAL 88 1HG2 VAL 88 3.275 2.494 -2.552 667 HG23 VAL 88 2HG2 VAL 88 2.094 1.529 -3.440 668 H GLU 89 H GLU 89 7.110 0.691 -1.834 669 HA GLU 89 HA GLU 89 8.597 -1.384 -3.335 670 HB2 GLU 89 2HB GLU 89 9.981 0.433 -2.361 671 HB3 GLU 89 3HB GLU 89 9.305 0.119 -0.768 672 HG2 GLU 89 2HG GLU 89 10.356 -2.128 -0.799 673 HG3 GLU 89 3HG GLU 89 11.061 -1.759 -2.373 674 H GLN 90 H GLN 90 8.454 -3.485 -2.666 675 HA GLN 90 HA GLN 90 6.751 -4.212 -0.402 676 HB2 GLN 90 2HB GLN 90 6.559 -5.618 -2.407 677 HB3 GLN 90 3HB GLN 90 8.291 -5.949 -2.389 678 HG2 GLN 90 2HG GLN 90 7.977 -7.085 -0.151 679 HG3 GLN 90 3HG GLN 90 6.239 -6.868 -0.340 680 HE21 GLN 90 1HE2 GLN 90 5.967 -9.116 -0.235 681 HE22 GLN 90 2HE2 GLN 90 6.362 -10.147 -1.562 682 H VAL 91 H VAL 91 7.563 -4.486 1.553 683 HA VAL 91 HA VAL 91 10.159 -5.817 1.962 684 HB VAL 91 HB VAL 91 10.351 -4.443 4.170 685 HG11 VAL 91 1HG1 VAL 91 10.744 -2.952 1.547 686 HG12 VAL 91 2HG1 VAL 91 11.900 -4.050 2.302 687 HG13 VAL 91 3HG1 VAL 91 11.489 -2.525 3.091 688 HG21 VAL 91 3HG2 VAL 91 9.288 -2.201 4.196 689 HG22 VAL 91 1HG2 VAL 91 8.064 -3.473 4.174 690 HG23 VAL 91 2HG2 VAL 91 8.432 -2.574 2.699 691 H MET 92 H MET 92 10.115 -7.091 4.049 692 HA MET 92 HA MET 92 7.522 -7.266 5.393 693 HB2 MET 92 2HB MET 92 7.546 -9.803 5.340 694 HB3 MET 92 3HB MET 92 7.183 -9.020 3.815 695 HG2 MET 92 2HG MET 92 9.545 -9.426 3.098 696 HG3 MET 92 3HG MET 92 9.785 -10.355 4.580 697 HE1 MET 92 3HE MET 92 7.161 -13.306 4.011 698 HE2 MET 92 1HE MET 92 6.815 -11.772 4.812 699 HE3 MET 92 2HE MET 92 8.330 -12.616 5.137 700 H ASP 93 H ASP 93 8.576 -6.158 6.988 701 HA ASP 93 HA ASP 93 10.195 -7.788 8.839 702 HB2 ASP 93 2HB ASP 93 11.588 -5.810 9.385 703 HB3 ASP 93 3HB ASP 93 11.766 -6.259 7.694 704 H ASP 94 H ASP 94 9.993 -7.051 11.069 705 HA ASP 94 HA ASP 94 8.064 -5.235 12.014 706 HB2 ASP 94 2HB ASP 94 6.246 -6.803 12.708 707 HB3 ASP 94 3HB ASP 94 6.382 -6.659 10.959 708 H GLU 95 H GLU 95 7.130 -6.560 14.283 709 HA GLU 95 HA GLU 95 9.617 -6.968 15.857 710 HB2 GLU 95 2HB GLU 95 8.365 -5.849 17.699 711 HB3 GLU 95 3HB GLU 95 8.482 -4.820 16.275 712 HG2 GLU 95 2HG GLU 95 6.169 -5.595 15.621 713 HG3 GLU 95 3HG GLU 95 6.054 -6.397 17.185 714 H SER 96 H SER 96 6.976 -8.637 14.734 715 HA SER 96 HA SER 96 6.563 -10.269 17.171 716 HB2 SER 96 2HB SER 96 4.586 -8.899 16.357 717 HB3 SER 96 3HB SER 96 4.601 -9.857 14.883 718 HG SER 96 HG SER 96 3.846 -11.552 15.944 719 H ASP 97 H ASP 97 8.387 -10.418 14.610 720 HA ASP 97 HA ASP 97 7.723 -12.876 13.328 721 HB2 ASP 97 2HB ASP 97 10.016 -12.674 12.303 722 HB3 ASP 97 3HB ASP 97 9.018 -11.241 12.106 Start of MODEL 10 1 H1 MET 1 1H MET 1 13.154 13.950 -21.035 2 H2 MET 1 2H MET 1 13.689 14.066 -19.437 3 H3 MET 1 3H MET 1 14.193 12.772 -20.405 4 HA MET 1 HA MET 1 15.330 14.321 -21.891 5 HB2 MET 1 2HB MET 1 14.592 16.361 -19.741 6 HB3 MET 1 3HB MET 1 15.684 16.679 -21.088 7 HG2 MET 1 2HG MET 1 13.856 16.367 -22.681 8 HG3 MET 1 3HG MET 1 12.756 15.941 -21.366 9 HE1 MET 1 3HE MET 1 11.895 18.094 -23.416 10 HE2 MET 1 1HE MET 1 11.360 19.446 -22.410 11 HE3 MET 1 2HE MET 1 10.928 17.796 -21.974 12 H GLY 2 H GLY 2 15.250 13.583 -18.513 13 HA2 GLY 2 2HA GLY 2 17.837 12.503 -18.419 14 HA3 GLY 2 3HA GLY 2 17.893 14.119 -17.719 15 H HIS 3 H HIS 3 18.569 12.117 -16.096 16 HA HIS 3 HA HIS 3 16.298 11.132 -14.564 17 HB2 HIS 3 2HB HIS 3 18.055 10.109 -13.076 18 HB3 HIS 3 3HB HIS 3 18.166 9.618 -14.755 19 HD1 HIS 3 HD1 HIS 3 20.267 10.501 -16.111 20 HD2 HIS 3 HD2 HIS 3 20.315 11.397 -12.060 21 HE1 HIS 3 HE1 HIS 3 22.616 11.204 -15.598 22 HE2 HIS 3 HE2 HIS 3 22.591 11.846 -13.163 23 H HIS 4 H HIS 4 15.372 13.215 -14.107 24 HA HIS 4 HA HIS 4 16.854 15.207 -12.641 25 HB2 HIS 4 2HB HIS 4 14.819 16.557 -12.685 26 HB3 HIS 4 3HB HIS 4 15.162 15.915 -14.277 27 HD1 HIS 4 HD1 HIS 4 12.505 16.211 -11.805 28 HD2 HIS 4 HD2 HIS 4 13.331 13.715 -15.015 29 HE1 HIS 4 HE1 HIS 4 10.318 15.139 -12.400 30 HE2 HIS 4 HE2 HIS 4 10.896 13.488 -14.210 31 H HIS 5 H HIS 5 17.486 14.454 -10.726 32 HA HIS 5 HA HIS 5 15.443 13.855 -8.663 33 HB2 HIS 5 2HB HIS 5 16.825 11.836 -9.221 34 HB3 HIS 5 3HB HIS 5 18.284 12.734 -8.836 35 HD1 HIS 5 HD1 HIS 5 15.660 10.659 -7.333 36 HD2 HIS 5 HD2 HIS 5 18.544 13.322 -5.983 37 HE1 HIS 5 HE1 HIS 5 15.950 10.158 -4.895 38 HE2 HIS 5 HE2 HIS 5 17.797 11.690 -4.134 39 H HIS 6 H HIS 6 15.455 15.340 -7.054 40 HA HIS 6 HA HIS 6 17.375 17.500 -7.103 41 HB2 HIS 6 2HB HIS 6 16.012 18.529 -5.316 42 HB3 HIS 6 3HB HIS 6 15.062 18.080 -6.718 43 HD1 HIS 6 HD1 HIS 6 15.089 17.834 -3.098 44 HD2 HIS 6 HD2 HIS 6 13.480 15.623 -6.214 45 HE1 HIS 6 HE1 HIS 6 13.285 16.427 -2.067 46 HE2 HIS 6 HE2 HIS 6 12.385 15.037 -3.966 47 H HIS 7 H HIS 7 19.260 16.334 -6.689 48 HA HIS 7 HA HIS 7 19.708 15.253 -3.984 49 HB2 HIS 7 2HB HIS 7 21.735 14.227 -4.915 50 HB3 HIS 7 3HB HIS 7 20.349 13.816 -5.910 51 HD1 HIS 7 HD1 HIS 7 23.562 15.739 -5.956 52 HD2 HIS 7 HD2 HIS 7 20.470 14.790 -8.558 53 HE1 HIS 7 HE1 HIS 7 24.381 16.372 -8.240 54 HE2 HIS 7 HE2 HIS 7 22.480 15.811 -9.796 55 H HIS 8 H HIS 8 19.641 18.218 -4.953 56 HA HIS 8 HA HIS 8 21.960 19.014 -3.287 57 HB2 HIS 8 2HB HIS 8 21.018 20.326 -5.864 58 HB3 HIS 8 3HB HIS 8 21.973 21.203 -4.678 59 HD1 HIS 8 HD1 HIS 8 22.617 19.959 -7.763 60 HD2 HIS 8 HD2 HIS 8 24.337 19.091 -4.083 61 HE1 HIS 8 HE1 HIS 8 24.917 19.086 -8.277 62 HE2 HIS 8 HE2 HIS 8 26.003 18.798 -6.021 63 H SER 9 H SER 9 20.287 18.709 -1.674 64 HA SER 9 HA SER 9 19.041 21.314 -1.093 65 HB2 SER 9 2HB SER 9 17.195 19.832 -1.814 66 HB3 SER 9 3HB SER 9 17.687 18.612 -0.640 67 HG SER 9 HG SER 9 16.463 19.638 0.708 68 H HIS 10 H HIS 10 20.321 21.987 0.495 69 HA HIS 10 HA HIS 10 21.708 20.391 2.373 70 HB2 HIS 10 2HB HIS 10 22.474 22.650 1.869 71 HB3 HIS 10 3HB HIS 10 20.963 23.343 2.446 72 HD1 HIS 10 HD1 HIS 10 20.744 23.771 4.942 73 HD2 HIS 10 HD2 HIS 10 24.225 21.714 3.965 74 HE1 HIS 10 HE1 HIS 10 22.089 23.669 7.057 75 HE2 HIS 10 HE2 HIS 10 24.066 22.225 6.490 76 H MET 11 H MET 11 18.516 21.871 2.422 77 HA MET 11 HA MET 11 17.930 21.245 5.182 78 HB2 MET 11 2HB MET 11 16.006 21.964 2.927 79 HB3 MET 11 3HB MET 11 15.643 21.961 4.652 80 HG2 MET 11 2HG MET 11 17.509 23.847 3.189 81 HG3 MET 11 3HG MET 11 15.939 24.231 3.906 82 HE1 MET 11 3HE MET 11 18.302 26.191 6.293 83 HE2 MET 11 1HE MET 11 16.713 26.213 5.526 84 HE3 MET 11 2HE MET 11 18.170 26.107 4.537 85 H GLY 12 H GLY 12 17.714 19.168 5.785 86 HA2 GLY 12 2HA GLY 12 17.008 16.985 4.086 87 HA3 GLY 12 3HA GLY 12 17.131 16.949 5.843 88 H SER 13 H SER 13 15.015 17.634 3.109 89 HA SER 13 HA SER 13 12.712 18.378 4.616 90 HB2 SER 13 2HB SER 13 11.483 18.091 2.455 91 HB3 SER 13 3HB SER 13 12.939 19.068 2.276 92 HG SER 13 HG SER 13 12.573 16.351 1.554 93 H GLU 14 H GLU 14 11.969 16.967 6.091 94 HA GLU 14 HA GLU 14 11.748 14.147 5.827 95 HB2 GLU 14 2HB GLU 14 10.236 14.305 7.796 96 HB3 GLU 14 3HB GLU 14 11.693 15.261 8.033 97 HG2 GLU 14 2HG GLU 14 10.398 17.305 7.402 98 HG3 GLU 14 3HG GLU 14 8.945 16.319 7.293 99 H GLU 15 H GLU 15 10.031 12.888 5.031 100 HA GLU 15 HA GLU 15 8.244 13.955 3.115 101 HB2 GLU 15 2HB GLU 15 7.993 11.302 4.620 102 HB3 GLU 15 3HB GLU 15 7.171 11.725 3.121 103 HG2 GLU 15 2HG GLU 15 10.152 11.281 3.501 104 HG3 GLU 15 3HG GLU 15 9.017 10.233 2.661 105 H ASP 16 H ASP 16 6.363 14.958 3.392 106 HA ASP 16 HA ASP 16 5.646 16.101 5.811 107 HB2 ASP 16 2HB ASP 16 3.855 15.714 3.374 108 HB3 ASP 16 3HB ASP 16 3.611 16.904 4.647 109 H ASP 17 H ASP 17 4.544 15.388 7.520 110 HA ASP 17 HA ASP 17 3.608 12.699 7.631 111 HB2 ASP 17 2HB ASP 17 3.216 13.068 9.992 112 HB3 ASP 17 3HB ASP 17 4.762 13.768 9.544 113 H GLY 18 H GLY 18 2.050 15.566 6.680 114 HA2 GLY 18 2HA GLY 18 -0.669 14.756 7.136 115 HA3 GLY 18 3HA GLY 18 -0.108 15.949 5.968 116 H VAL 19 H VAL 19 1.561 14.576 4.339 117 HA VAL 19 HA VAL 19 0.017 13.009 2.592 118 HB VAL 19 HB VAL 19 3.060 13.188 2.902 119 HG11 VAL 19 1HG1 VAL 19 2.571 11.044 1.805 120 HG12 VAL 19 2HG1 VAL 19 3.249 12.171 0.631 121 HG13 VAL 19 3HG1 VAL 19 1.513 11.852 0.644 122 HG21 VAL 19 3HG2 VAL 19 1.977 15.297 2.200 123 HG22 VAL 19 1HG2 VAL 19 1.199 14.460 0.853 124 HG23 VAL 19 2HG2 VAL 19 2.956 14.633 0.892 125 H VAL 20 H VAL 20 2.397 12.064 5.026 126 HA VAL 20 HA VAL 20 2.384 9.279 4.724 127 HB VAL 20 HB VAL 20 3.130 11.118 7.031 128 HG11 VAL 20 1HG1 VAL 20 2.555 8.980 8.087 129 HG12 VAL 20 2HG1 VAL 20 4.300 9.230 8.131 130 HG13 VAL 20 3HG1 VAL 20 3.598 8.123 6.953 131 HG21 VAL 20 3HG2 VAL 20 4.827 9.529 5.061 132 HG22 VAL 20 1HG2 VAL 20 5.457 10.561 6.348 133 HG23 VAL 20 2HG2 VAL 20 4.543 11.272 5.018 134 H ALA 21 H ALA 21 0.461 11.373 6.885 135 HA ALA 21 HA ALA 21 -0.913 9.340 8.290 136 HB1 ALA 21 3HB ALA 21 -1.808 12.199 7.797 137 HB2 ALA 21 1HB ALA 21 -0.769 11.654 9.116 138 HB3 ALA 21 2HB ALA 21 -2.445 11.110 9.035 139 H MET 22 H MET 22 -1.783 11.166 5.336 140 HA MET 22 HA MET 22 -4.389 9.962 5.153 141 HB2 MET 22 2HB MET 22 -4.701 11.155 3.097 142 HB3 MET 22 3HB MET 22 -3.924 12.237 4.237 143 HG2 MET 22 2HG MET 22 -1.849 12.108 3.088 144 HG3 MET 22 3HG MET 22 -2.379 10.740 2.110 145 HE1 MET 22 3HE MET 22 -4.145 10.914 0.150 146 HE2 MET 22 1HE MET 22 -4.946 12.407 -0.334 147 HE3 MET 22 2HE MET 22 -5.356 11.649 1.204 148 H ILE 23 H ILE 23 -1.186 9.113 3.934 149 HA ILE 23 HA ILE 23 -1.966 7.092 2.093 150 HB ILE 23 HB ILE 23 0.566 7.307 3.796 151 HG12 ILE 23 2HG1 ILE 23 0.168 7.757 0.798 152 HG13 ILE 23 3HG1 ILE 23 0.306 9.035 1.996 153 HG21 ILE 23 1HG2 ILE 23 1.556 5.519 2.367 154 HG22 ILE 23 2HG2 ILE 23 -0.015 5.282 1.596 155 HG23 ILE 23 3HG2 ILE 23 0.192 4.930 3.312 156 HD11 ILE 23 3HD1 ILE 23 2.464 7.061 1.237 157 HD12 ILE 23 1HD1 ILE 23 2.613 8.302 2.486 158 HD13 ILE 23 2HD1 ILE 23 2.385 8.767 0.800 159 H LYS 24 H LYS 24 -1.159 6.964 5.597 160 HA LYS 24 HA LYS 24 -1.631 4.278 6.159 161 HB2 LYS 24 2HB LYS 24 -2.209 6.700 7.915 162 HB3 LYS 24 3HB LYS 24 -2.177 5.036 8.502 163 HG2 LYS 24 2HG LYS 24 0.201 4.860 7.980 164 HG3 LYS 24 3HG LYS 24 0.190 6.481 7.272 165 HD2 LYS 24 2HD LYS 24 -0.440 7.431 9.488 166 HD3 LYS 24 3HD LYS 24 -0.391 5.811 10.187 167 HE2 LYS 24 2HE LYS 24 2.006 5.662 9.720 168 HE3 LYS 24 3HE LYS 24 1.972 7.240 8.932 169 HZ1 LYS 24 3HZ LYS 24 1.385 6.708 11.791 170 HZ2 LYS 24 1HZ LYS 24 1.311 8.222 11.043 171 HZ3 LYS 24 2HZ LYS 24 2.793 7.419 11.180 172 H GLU 25 H GLU 25 -3.958 6.966 6.005 173 HA GLU 25 HA GLU 25 -6.265 5.587 6.862 174 HB2 GLU 25 2HB GLU 25 -6.120 8.059 6.836 175 HB3 GLU 25 3HB GLU 25 -6.048 8.044 5.076 176 HG2 GLU 25 2HG GLU 25 -8.333 7.029 5.018 177 HG3 GLU 25 3HG GLU 25 -8.393 7.136 6.775 178 H LEU 26 H LEU 26 -5.096 6.377 3.554 179 HA LEU 26 HA LEU 26 -7.181 5.211 2.070 180 HB2 LEU 26 2HB LEU 26 -4.267 5.713 1.359 181 HB3 LEU 26 3HB LEU 26 -5.438 5.134 0.182 182 HG LEU 26 HG LEU 26 -5.654 7.788 1.660 183 HD11 LEU 26 1HD1 LEU 26 -3.735 7.815 0.152 184 HD12 LEU 26 2HD1 LEU 26 -5.022 8.865 -0.435 185 HD13 LEU 26 3HD1 LEU 26 -4.760 7.289 -1.188 186 HD21 LEU 26 3HD2 LEU 26 -7.842 6.909 1.006 187 HD22 LEU 26 1HD2 LEU 26 -7.283 6.695 -0.657 188 HD23 LEU 26 2HD2 LEU 26 -7.420 8.316 0.034 189 H LEU 27 H LEU 27 -4.233 3.804 3.398 190 HA LEU 27 HA LEU 27 -4.480 1.202 2.267 191 HB2 LEU 27 2HB LEU 27 -3.100 2.112 4.824 192 HB3 LEU 27 3HB LEU 27 -2.904 0.524 4.088 193 HG LEU 27 HG LEU 27 -2.083 3.147 2.780 194 HD11 LEU 27 1HD1 LEU 27 -0.712 2.706 4.742 195 HD12 LEU 27 2HD1 LEU 27 0.218 2.511 3.258 196 HD13 LEU 27 3HD1 LEU 27 -0.339 1.086 4.142 197 HD21 LEU 27 3HD2 LEU 27 -1.543 0.282 1.924 198 HD22 LEU 27 1HD2 LEU 27 -0.909 1.739 1.144 199 HD23 LEU 27 2HD2 LEU 27 -2.640 1.418 1.132 200 H ASP 28 H ASP 28 -5.363 2.572 5.455 201 HA ASP 28 HA ASP 28 -6.112 0.098 6.607 202 HB2 ASP 28 2HB ASP 28 -5.299 2.178 7.832 203 HB3 ASP 28 3HB ASP 28 -6.910 2.857 7.615 204 H THR 29 H THR 29 -7.935 2.564 4.937 205 HA THR 29 HA THR 29 -10.526 1.515 5.721 206 HB THR 29 HB THR 29 -11.452 3.378 4.328 207 HG1 THR 29 HG1 THR 29 -9.063 4.680 3.995 208 HG21 THR 29 3HG2 THR 29 -9.281 4.275 6.260 209 HG22 THR 29 1HG2 THR 29 -10.916 3.785 6.715 210 HG23 THR 29 2HG2 THR 29 -10.667 5.239 5.742 211 H ARG 30 H ARG 30 -8.641 1.831 2.673 212 HA ARG 30 HA ARG 30 -10.701 0.345 1.197 213 HB2 ARG 30 2HB ARG 30 -8.121 1.575 0.160 214 HB3 ARG 30 3HB ARG 30 -9.442 0.935 -0.817 215 HG2 ARG 30 2HG ARG 30 -10.914 2.749 0.180 216 HG3 ARG 30 3HG ARG 30 -9.458 3.441 0.905 217 HD2 ARG 30 2HD ARG 30 -9.920 4.618 -1.159 218 HD3 ARG 30 3HD ARG 30 -8.475 3.633 -1.405 219 HE ARG 30 HE ARG 30 -11.179 3.101 -2.496 220 HH11 ARG 30 1HH1 ARG 30 -7.733 2.332 -2.543 221 HH12 ARG 30 2HH1 ARG 30 -7.843 1.403 -3.995 222 HH21 ARG 30 1HH2 ARG 30 -11.275 1.903 -4.414 223 HH22 ARG 30 2HH2 ARG 30 -9.852 1.161 -5.057 224 H ILE 31 H ILE 31 -7.165 0.077 1.807 225 HA ILE 31 HA ILE 31 -6.979 -2.189 0.017 226 HB ILE 31 HB ILE 31 -4.814 -0.910 1.725 227 HG12 ILE 31 2HG1 ILE 31 -5.760 0.699 0.108 228 HG13 ILE 31 3HG1 ILE 31 -4.117 0.264 -0.341 229 HG21 ILE 31 1HG2 ILE 31 -4.534 -2.841 -0.612 230 HG22 ILE 31 2HG2 ILE 31 -4.203 -3.199 1.082 231 HG23 ILE 31 3HG2 ILE 31 -3.198 -2.034 0.224 232 HD11 ILE 31 3HD1 ILE 31 -6.653 -0.751 -1.622 233 HD12 ILE 31 1HD1 ILE 31 -5.015 -1.234 -2.077 234 HD13 ILE 31 2HD1 ILE 31 -5.533 0.438 -2.283 235 H ARG 32 H ARG 32 -6.077 -1.765 3.497 236 HA ARG 32 HA ARG 32 -5.317 -4.299 4.118 237 HB2 ARG 32 2HB ARG 32 -6.825 -2.441 6.002 238 HB3 ARG 32 3HB ARG 32 -5.934 -3.876 6.502 239 HG2 ARG 32 2HG ARG 32 -3.853 -2.814 5.570 240 HG3 ARG 32 3HG ARG 32 -4.790 -1.347 5.283 241 HD2 ARG 32 2HD ARG 32 -3.629 -1.022 7.343 242 HD3 ARG 32 3HD ARG 32 -5.312 -1.336 7.780 243 HE ARG 32 HE ARG 32 -3.611 -3.683 7.763 244 HH11 ARG 32 1HH1 ARG 32 -4.790 -1.048 9.782 245 HH12 ARG 32 2HH1 ARG 32 -4.457 -1.893 11.252 246 HH21 ARG 32 1HH2 ARG 32 -3.196 -4.742 9.724 247 HH22 ARG 32 2HH2 ARG 32 -3.569 -3.965 11.223 248 HA PRO 33 HA PRO 33 -10.069 -5.606 5.260 249 HB2 PRO 33 2HB PRO 33 -11.361 -3.765 3.218 250 HB3 PRO 33 3HB PRO 33 -12.013 -4.367 4.760 251 HG2 PRO 33 2HG PRO 33 -11.145 -1.885 4.630 252 HG3 PRO 33 3HG PRO 33 -10.717 -2.889 6.040 253 HD2 PRO 33 2HD PRO 33 -9.016 -2.175 3.654 254 HD3 PRO 33 3HD PRO 33 -8.574 -2.233 5.373 255 H THR 34 H THR 34 -9.353 -4.480 1.921 256 HA THR 34 HA THR 34 -10.501 -6.592 0.459 257 HB THR 34 HB THR 34 -8.130 -4.827 -0.314 258 HG1 THR 34 HG1 THR 34 -9.565 -3.316 -0.379 259 HG21 THR 34 3HG2 THR 34 -10.082 -6.318 -2.114 260 HG22 THR 34 1HG2 THR 34 -8.389 -6.747 -1.863 261 HG23 THR 34 2HG2 THR 34 -8.804 -5.224 -2.649 262 H VAL 35 H VAL 35 -7.164 -6.109 1.565 263 HA VAL 35 HA VAL 35 -6.050 -8.470 0.423 264 HB VAL 35 HB VAL 35 -4.901 -6.883 2.773 265 HG11 VAL 35 1HG1 VAL 35 -3.728 -9.002 2.260 266 HG12 VAL 35 2HG1 VAL 35 -2.710 -7.604 1.919 267 HG13 VAL 35 3HG1 VAL 35 -3.494 -8.474 0.594 268 HG21 VAL 35 3HG2 VAL 35 -3.749 -5.452 1.129 269 HG22 VAL 35 1HG2 VAL 35 -5.499 -5.327 0.954 270 HG23 VAL 35 2HG2 VAL 35 -4.570 -6.290 -0.190 271 H GLN 36 H GLN 36 -7.555 -7.745 3.505 272 HA GLN 36 HA GLN 36 -6.831 -10.142 4.887 273 HB2 GLN 36 2HB GLN 36 -8.987 -8.066 5.393 274 HB3 GLN 36 3HB GLN 36 -8.726 -9.444 6.461 275 HG2 GLN 36 2HG GLN 36 -6.566 -8.677 7.103 276 HG3 GLN 36 3HG GLN 36 -6.508 -7.493 5.800 277 HE21 GLN 36 1HE2 GLN 36 -6.142 -5.742 7.173 278 HE22 GLN 36 2HE2 GLN 36 -7.334 -5.132 8.261 279 H GLU 37 H GLU 37 -9.401 -9.341 2.605 280 HA GLU 37 HA GLU 37 -11.060 -11.613 3.061 281 HB2 GLU 37 2HB GLU 37 -10.610 -10.112 0.439 282 HB3 GLU 37 3HB GLU 37 -11.939 -11.224 0.771 283 HG2 GLU 37 2HG GLU 37 -11.453 -8.491 1.995 284 HG3 GLU 37 3HG GLU 37 -12.779 -8.982 0.940 285 H ASP 38 H ASP 38 -8.165 -11.044 1.147 286 HA ASP 38 HA ASP 38 -8.011 -13.680 -0.032 287 HB2 ASP 38 2HB ASP 38 -7.051 -11.700 -1.159 288 HB3 ASP 38 3HB ASP 38 -5.979 -11.411 0.208 289 H GLY 39 H GLY 39 -6.973 -12.173 2.932 290 HA2 GLY 39 2HA GLY 39 -6.667 -13.605 4.864 291 HA3 GLY 39 3HA GLY 39 -5.771 -14.733 3.858 292 H GLY 40 H GLY 40 -4.739 -11.817 2.810 293 HA2 GLY 40 2HA GLY 40 -2.373 -11.747 4.571 294 HA3 GLY 40 3HA GLY 40 -2.562 -10.939 3.019 295 H ASP 41 H ASP 41 -1.691 -9.067 4.128 296 HA ASP 41 HA ASP 41 -3.662 -7.145 4.750 297 HB2 ASP 41 2HB ASP 41 -3.675 -8.304 6.969 298 HB3 ASP 41 3HB ASP 41 -1.943 -8.040 7.119 299 H VAL 42 H VAL 42 -2.621 -4.978 5.170 300 HA VAL 42 HA VAL 42 0.210 -4.851 4.320 301 HB VAL 42 HB VAL 42 -0.177 -2.846 2.964 302 HG11 VAL 42 1HG1 VAL 42 -1.382 -3.826 1.053 303 HG12 VAL 42 2HG1 VAL 42 -2.078 -5.059 2.106 304 HG13 VAL 42 3HG1 VAL 42 -0.338 -5.026 1.821 305 HG21 VAL 42 3HG2 VAL 42 -2.108 -1.861 4.145 306 HG22 VAL 42 1HG2 VAL 42 -3.153 -3.145 3.527 307 HG23 VAL 42 2HG2 VAL 42 -2.418 -1.984 2.415 308 H ILE 43 H ILE 43 1.441 -3.805 5.724 309 HA ILE 43 HA ILE 43 0.225 -1.960 7.715 310 HB ILE 43 HB ILE 43 2.771 -3.647 8.013 311 HG12 ILE 43 2HG1 ILE 43 1.439 -4.681 10.009 312 HG13 ILE 43 3HG1 ILE 43 0.003 -3.982 9.270 313 HG21 ILE 43 1HG2 ILE 43 1.502 -1.740 10.016 314 HG22 ILE 43 2HG2 ILE 43 3.010 -1.482 9.141 315 HG23 ILE 43 3HG2 ILE 43 2.897 -2.779 10.328 316 HD11 ILE 43 3HD1 ILE 43 0.378 -5.345 7.275 317 HD12 ILE 43 1HD1 ILE 43 0.252 -6.331 8.730 318 HD13 ILE 43 2HD1 ILE 43 1.833 -6.026 8.009 319 H TYR 44 H TYR 44 0.907 0.132 7.570 320 HA TYR 44 HA TYR 44 2.717 0.983 5.547 321 HB2 TYR 44 2HB TYR 44 0.848 2.415 6.284 322 HB3 TYR 44 3HB TYR 44 1.561 2.555 7.887 323 HD1 TYR 44 HD2 TYR 44 2.153 3.364 4.286 324 HD2 TYR 44 HD1 TYR 44 3.189 4.275 8.335 325 HE1 TYR 44 HE2 TYR 44 3.413 5.326 3.525 326 HE2 TYR 44 HE1 TYR 44 4.442 6.231 7.570 327 HH TYR 44 HH TYR 44 5.544 7.033 5.509 328 H LYS 45 H LYS 45 4.875 0.910 5.610 329 HA LYS 45 HA LYS 45 6.317 0.726 8.181 330 HB2 LYS 45 2HB LYS 45 7.259 0.146 5.337 331 HB3 LYS 45 3HB LYS 45 8.234 -0.072 6.784 332 HG2 LYS 45 2HG LYS 45 5.619 -1.563 6.369 333 HG3 LYS 45 3HG LYS 45 7.147 -2.161 5.743 334 HD2 LYS 45 2HD LYS 45 6.940 -3.307 7.771 335 HD3 LYS 45 3HD LYS 45 8.017 -1.977 8.186 336 HE2 LYS 45 2HE LYS 45 6.120 -0.774 9.226 337 HE3 LYS 45 3HE LYS 45 5.028 -2.075 8.747 338 HZ1 LYS 45 3HZ LYS 45 6.292 -3.586 10.146 339 HZ2 LYS 45 1HZ LYS 45 5.691 -2.284 11.048 340 HZ3 LYS 45 2HZ LYS 45 7.321 -2.330 10.606 341 H GLY 46 H GLY 46 6.304 2.542 5.109 342 HA2 GLY 46 2HA GLY 46 7.077 4.989 6.257 343 HA3 GLY 46 3HA GLY 46 8.530 4.193 5.662 344 H PHE 47 H PHE 47 8.451 6.286 4.520 345 HA PHE 47 HA PHE 47 7.592 5.954 1.770 346 HB2 PHE 47 2HB PHE 47 5.626 7.050 2.868 347 HB3 PHE 47 3HB PHE 47 6.672 8.311 3.501 348 HD1 PHE 47 HD2 PHE 47 6.375 6.839 0.046 349 HD2 PHE 47 HD1 PHE 47 5.981 10.328 2.490 350 HE1 PHE 47 HE2 PHE 47 5.867 8.187 -1.938 351 HE2 PHE 47 HE1 PHE 47 5.471 11.661 0.487 352 HZ PHE 47 HZ PHE 47 5.424 10.589 -1.731 353 H GLU 48 H GLU 48 9.508 6.328 0.776 354 HA GLU 48 HA GLU 48 11.038 8.734 1.340 355 HB2 GLU 48 2HB GLU 48 13.205 7.441 1.547 356 HB3 GLU 48 3HB GLU 48 12.124 7.298 2.928 357 HG2 GLU 48 2HG GLU 48 11.422 5.075 2.212 358 HG3 GLU 48 3HG GLU 48 12.389 5.205 0.743 359 H ASP 49 H ASP 49 11.965 9.536 -0.441 360 HA ASP 49 HA ASP 49 12.487 9.932 -2.610 361 HB2 ASP 49 2HB ASP 49 13.116 6.943 -2.587 362 HB3 ASP 49 3HB ASP 49 13.498 8.000 -3.947 363 H GLY 50 H GLY 50 9.733 9.200 -1.836 364 HA2 GLY 50 2HA GLY 50 7.734 9.286 -2.995 365 HA3 GLY 50 3HA GLY 50 8.578 8.932 -4.492 366 H ILE 51 H ILE 51 9.587 6.662 -2.321 367 HA ILE 51 HA ILE 51 7.772 4.615 -3.392 368 HB ILE 51 HB ILE 51 10.476 4.368 -2.001 369 HG12 ILE 51 2HG1 ILE 51 10.645 5.282 -4.288 370 HG13 ILE 51 3HG1 ILE 51 11.300 3.650 -4.251 371 HG21 ILE 51 1HG2 ILE 51 10.406 1.953 -2.603 372 HG22 ILE 51 2HG2 ILE 51 8.744 2.158 -3.165 373 HG23 ILE 51 3HG2 ILE 51 9.133 2.395 -1.463 374 HD11 ILE 51 3HD1 ILE 51 9.191 2.822 -5.236 375 HD12 ILE 51 1HD1 ILE 51 10.019 4.003 -6.248 376 HD13 ILE 51 2HD1 ILE 51 8.603 4.488 -5.317 377 H VAL 52 H VAL 52 6.063 4.278 -2.181 378 HA VAL 52 HA VAL 52 5.979 4.592 0.696 379 HB VAL 52 HB VAL 52 3.837 3.381 -1.122 380 HG11 VAL 52 1HG1 VAL 52 3.524 2.847 1.264 381 HG12 VAL 52 2HG1 VAL 52 2.279 3.973 0.726 382 HG13 VAL 52 3HG1 VAL 52 3.643 4.559 1.681 383 HG21 VAL 52 3HG2 VAL 52 2.763 5.608 -1.144 384 HG22 VAL 52 1HG2 VAL 52 4.368 5.679 -1.873 385 HG23 VAL 52 2HG2 VAL 52 4.115 6.279 -0.234 386 H GLN 53 H GLN 53 7.018 3.062 1.841 387 HA GLN 53 HA GLN 53 7.357 0.348 0.804 388 HB2 GLN 53 2HB GLN 53 8.641 1.880 3.101 389 HB3 GLN 53 3HB GLN 53 8.938 0.174 2.815 390 HG2 GLN 53 2HG GLN 53 9.768 0.766 0.513 391 HG3 GLN 53 3HG GLN 53 9.614 2.466 0.952 392 HE21 GLN 53 1HE2 GLN 53 11.850 2.765 0.608 393 HE22 GLN 53 2HE2 GLN 53 13.031 2.202 1.738 394 H LEU 54 H LEU 54 6.148 -1.319 1.508 395 HA LEU 54 HA LEU 54 4.455 -1.038 3.924 396 HB2 LEU 54 2HB LEU 54 3.544 -2.069 1.209 397 HB3 LEU 54 3HB LEU 54 2.563 -2.025 2.668 398 HG LEU 54 HG LEU 54 3.580 0.390 1.111 399 HD11 LEU 54 1HD1 LEU 54 0.774 -0.688 1.436 400 HD12 LEU 54 2HD1 LEU 54 1.767 -0.770 -0.022 401 HD13 LEU 54 3HD1 LEU 54 1.235 0.794 0.590 402 HD21 LEU 54 3HD2 LEU 54 3.531 0.917 3.489 403 HD22 LEU 54 1HD2 LEU 54 1.877 0.311 3.621 404 HD23 LEU 54 2HD2 LEU 54 2.224 1.749 2.654 405 H LYS 55 H LYS 55 4.081 -2.880 5.049 406 HA LYS 55 HA LYS 55 5.626 -5.277 4.459 407 HB2 LYS 55 2HB LYS 55 5.653 -4.313 6.737 408 HB3 LYS 55 3HB LYS 55 3.911 -4.523 6.868 409 HG2 LYS 55 2HG LYS 55 4.177 -6.962 6.791 410 HG3 LYS 55 3HG LYS 55 5.923 -6.781 6.573 411 HD2 LYS 55 2HD LYS 55 6.003 -5.598 8.805 412 HD3 LYS 55 3HD LYS 55 4.293 -5.991 9.022 413 HE2 LYS 55 2HE LYS 55 4.814 -8.380 8.972 414 HE3 LYS 55 3HE LYS 55 6.514 -8.032 8.640 415 HZ1 LYS 55 3HZ LYS 55 6.082 -8.563 10.977 416 HZ2 LYS 55 1HZ LYS 55 5.063 -7.212 11.096 417 HZ3 LYS 55 2HZ LYS 55 6.718 -7.002 10.785 418 H LEU 56 H LEU 56 4.669 -6.838 3.246 419 HA LEU 56 HA LEU 56 1.741 -7.111 3.167 420 HB2 LEU 56 2HB LEU 56 3.829 -8.640 1.563 421 HB3 LEU 56 3HB LEU 56 2.091 -8.630 1.288 422 HG LEU 56 HG LEU 56 4.052 -6.357 0.784 423 HD11 LEU 56 1HD1 LEU 56 2.282 -7.916 -1.114 424 HD12 LEU 56 2HD1 LEU 56 4.033 -8.068 -0.941 425 HD13 LEU 56 3HD1 LEU 56 3.340 -6.566 -1.544 426 HD21 LEU 56 3HD2 LEU 56 1.025 -6.254 0.554 427 HD22 LEU 56 1HD2 LEU 56 2.148 -5.012 -0.016 428 HD23 LEU 56 2HD2 LEU 56 2.024 -5.360 1.705 429 H GLN 57 H GLN 57 0.695 -9.006 3.828 430 HA GLN 57 HA GLN 57 2.225 -10.849 5.572 431 HB2 GLN 57 2HB GLN 57 -0.756 -10.223 5.445 432 HB3 GLN 57 3HB GLN 57 -0.060 -11.468 6.480 433 HG2 GLN 57 2HG GLN 57 0.593 -8.510 6.623 434 HG3 GLN 57 3HG GLN 57 -0.529 -9.359 7.684 435 HE21 GLN 57 1HE2 GLN 57 1.994 -7.902 8.277 436 HE22 GLN 57 2HE2 GLN 57 2.954 -9.019 9.175 437 H GLY 58 H GLY 58 1.050 -13.117 5.662 438 HA2 GLY 58 2HA GLY 58 1.741 -14.557 3.389 439 HA3 GLY 58 3HA GLY 58 0.726 -15.153 4.687 440 H SER 59 H SER 59 0.338 -16.129 2.234 441 HA SER 59 HA SER 59 -1.188 -16.660 0.689 442 HB2 SER 59 2HB SER 59 -3.027 -16.171 2.285 443 HB3 SER 59 3HB SER 59 -2.986 -14.472 1.815 444 HG SER 59 HG SER 59 -4.286 -14.995 0.275 445 H CYS 60 H CYS 60 -1.208 -13.086 0.993 446 HA CYS 60 HA CYS 60 -1.141 -12.487 -1.762 447 HB2 CYS 60 2HB CYS 60 -0.035 -10.853 0.559 448 HB3 CYS 60 3HB CYS 60 -0.463 -10.235 -1.041 449 HG CYS 60 HG CYS 60 -2.901 -11.862 0.600 450 H THR 61 H THR 61 1.410 -13.050 0.618 451 HA THR 61 HA THR 61 3.601 -12.493 -1.181 452 HB THR 61 HB THR 61 5.030 -13.283 0.735 453 HG1 THR 61 HG1 THR 61 3.987 -13.792 2.696 454 HG21 THR 61 3HG2 THR 61 2.911 -11.235 1.471 455 HG22 THR 61 1HG2 THR 61 4.395 -10.906 0.570 456 HG23 THR 61 2HG2 THR 61 4.480 -11.417 2.256 457 H SER 62 H SER 62 1.615 -15.232 -0.686 458 HA SER 62 HA SER 62 3.452 -17.359 -1.104 459 HB2 SER 62 2HB SER 62 0.465 -17.239 -1.710 460 HB3 SER 62 3HB SER 62 1.430 -18.718 -1.628 461 HG SER 62 HG SER 62 0.557 -18.530 0.349 462 H CYS 63 H CYS 63 1.841 -15.136 -3.285 463 HA CYS 63 HA CYS 63 3.060 -16.469 -5.632 464 HB2 CYS 63 2HB CYS 63 0.404 -14.990 -5.479 465 HB3 CYS 63 3HB CYS 63 1.132 -15.586 -6.971 466 HG CYS 63 HG CYS 63 -0.934 -17.318 -6.322 467 HA PRO 64 HA PRO 64 5.400 -12.530 -5.965 468 HB2 PRO 64 2HB PRO 64 5.800 -13.691 -8.738 469 HB3 PRO 64 3HB PRO 64 7.002 -13.004 -7.619 470 HG2 PRO 64 2HG PRO 64 6.856 -15.630 -7.924 471 HG3 PRO 64 3HG PRO 64 7.094 -14.929 -6.307 472 HD2 PRO 64 2HD PRO 64 4.583 -16.081 -7.502 473 HD3 PRO 64 3HD PRO 64 5.206 -16.212 -5.844 474 H SER 65 H SER 65 3.212 -13.796 -8.447 475 HA SER 65 HA SER 65 2.722 -11.430 -9.886 476 HB2 SER 65 2HB SER 65 0.660 -12.696 -10.689 477 HB3 SER 65 3HB SER 65 2.187 -13.560 -10.884 478 HG SER 65 HG SER 65 1.555 -15.015 -9.476 479 H SER 66 H SER 66 1.146 -12.813 -7.014 480 HA SER 66 HA SER 66 -1.006 -10.933 -6.891 481 HB2 SER 66 2HB SER 66 0.128 -12.733 -4.712 482 HB3 SER 66 3HB SER 66 -1.414 -11.867 -4.636 483 HG SER 66 HG SER 66 -1.836 -13.058 -6.704 484 H ILE 67 H ILE 67 2.251 -11.072 -5.470 485 HA ILE 67 HA ILE 67 2.144 -8.787 -3.817 486 HB ILE 67 HB ILE 67 4.492 -10.014 -5.339 487 HG12 ILE 67 2HG1 ILE 67 3.680 -10.249 -2.400 488 HG13 ILE 67 3HG1 ILE 67 3.442 -11.486 -3.629 489 HG21 ILE 67 1HG2 ILE 67 5.057 -7.669 -4.862 490 HG22 ILE 67 2HG2 ILE 67 6.021 -8.740 -3.849 491 HG23 ILE 67 3HG2 ILE 67 4.639 -7.886 -3.161 492 HD11 ILE 67 3HD1 ILE 67 5.320 -12.037 -2.241 493 HD12 ILE 67 1HD1 ILE 67 6.088 -10.488 -2.582 494 HD13 ILE 67 2HD1 ILE 67 5.887 -11.680 -3.871 495 H ILE 68 H ILE 68 3.004 -9.161 -7.252 496 HA ILE 68 HA ILE 68 3.653 -6.485 -7.850 497 HB ILE 68 HB ILE 68 2.655 -8.742 -9.644 498 HG12 ILE 68 2HG1 ILE 68 5.493 -7.680 -9.221 499 HG13 ILE 68 3HG1 ILE 68 4.843 -9.123 -8.457 500 HG21 ILE 68 1HG2 ILE 68 3.881 -6.099 -10.526 501 HG22 ILE 68 2HG2 ILE 68 2.212 -6.609 -10.781 502 HG23 ILE 68 3HG2 ILE 68 3.523 -7.468 -11.584 503 HD11 ILE 68 3HD1 ILE 68 4.588 -10.158 -10.682 504 HD12 ILE 68 1HD1 ILE 68 6.254 -9.712 -10.314 505 HD13 ILE 68 2HD1 ILE 68 5.303 -8.717 -11.412 506 H THR 69 H THR 69 0.596 -8.288 -8.402 507 HA THR 69 HA THR 69 -0.897 -6.234 -9.577 508 HB THR 69 HB THR 69 -1.954 -8.595 -7.956 509 HG1 THR 69 HG1 THR 69 -1.110 -9.668 -9.562 510 HG21 THR 69 3HG2 THR 69 -3.722 -6.917 -8.380 511 HG22 THR 69 1HG2 THR 69 -3.998 -8.377 -9.330 512 HG23 THR 69 2HG2 THR 69 -3.335 -6.937 -10.103 513 H LEU 70 H LEU 70 -0.670 -7.253 -6.155 514 HA LEU 70 HA LEU 70 -2.572 -5.464 -5.076 515 HB2 LEU 70 2HB LEU 70 -1.794 -7.458 -3.874 516 HB3 LEU 70 3HB LEU 70 -0.171 -6.800 -3.777 517 HG LEU 70 HG LEU 70 -0.945 -5.021 -2.250 518 HD11 LEU 70 1HD1 LEU 70 -3.695 -6.277 -2.463 519 HD12 LEU 70 2HD1 LEU 70 -3.210 -4.695 -3.081 520 HD13 LEU 70 3HD1 LEU 70 -3.224 -4.990 -1.346 521 HD21 LEU 70 3HD2 LEU 70 -1.432 -6.406 -0.282 522 HD22 LEU 70 1HD2 LEU 70 -0.168 -7.128 -1.272 523 HD23 LEU 70 2HD2 LEU 70 -1.808 -7.781 -1.324 524 H LYS 71 H LYS 71 0.978 -5.273 -5.270 525 HA LYS 71 HA LYS 71 1.432 -2.785 -4.098 526 HB2 LYS 71 2HB LYS 71 3.205 -4.396 -4.511 527 HB3 LYS 71 3HB LYS 71 2.955 -4.320 -6.242 528 HG2 LYS 71 2HG LYS 71 3.800 -1.820 -4.808 529 HG3 LYS 71 3HG LYS 71 4.996 -3.091 -5.042 530 HD2 LYS 71 2HD LYS 71 3.433 -1.672 -7.248 531 HD3 LYS 71 3HD LYS 71 5.129 -1.401 -6.834 532 HE2 LYS 71 2HE LYS 71 5.654 -3.724 -7.485 533 HE3 LYS 71 3HE LYS 71 3.959 -4.006 -7.886 534 HZ1 LYS 71 3HZ LYS 71 4.129 -2.317 -9.597 535 HZ2 LYS 71 1HZ LYS 71 5.275 -3.537 -9.836 536 HZ3 LYS 71 2HZ LYS 71 5.748 -2.043 -9.204 537 H ASN 72 H ASN 72 0.579 -3.593 -7.436 538 HA ASN 72 HA ASN 72 0.837 -0.984 -8.547 539 HB2 ASN 72 2HB ASN 72 -0.648 -3.448 -9.525 540 HB3 ASN 72 3HB ASN 72 -0.560 -1.954 -10.457 541 HD21 ASN 72 1HD2 ASN 72 0.465 -4.659 -11.022 542 HD22 ASN 72 2HD2 ASN 72 2.151 -4.450 -11.344 543 H GLY 73 H GLY 73 -1.929 -2.766 -7.196 544 HA2 GLY 73 2HA GLY 73 -3.976 -0.926 -7.832 545 HA3 GLY 73 3HA GLY 73 -4.012 -2.099 -6.522 546 H ILE 74 H ILE 74 -1.991 -1.317 -4.933 547 HA ILE 74 HA ILE 74 -2.927 0.857 -3.406 548 HB ILE 74 HB ILE 74 -0.150 -0.437 -3.388 549 HG12 ILE 74 2HG1 ILE 74 -2.555 -1.107 -1.615 550 HG13 ILE 74 3HG1 ILE 74 -2.044 -2.064 -2.999 551 HG21 ILE 74 1HG2 ILE 74 -0.132 1.727 -2.241 552 HG22 ILE 74 2HG2 ILE 74 0.029 0.425 -1.069 553 HG23 ILE 74 3HG2 ILE 74 -1.517 1.252 -1.255 554 HD11 ILE 74 3HD1 ILE 74 -1.288 -3.089 -0.958 555 HD12 ILE 74 1HD1 ILE 74 -0.468 -1.608 -0.462 556 HD13 ILE 74 2HD1 ILE 74 0.107 -2.510 -1.867 557 H GLN 75 H GLN 75 -0.293 0.540 -5.771 558 HA GLN 75 HA GLN 75 0.954 3.013 -5.512 559 HB2 GLN 75 2HB GLN 75 1.897 1.120 -6.796 560 HB3 GLN 75 3HB GLN 75 0.648 1.321 -8.024 561 HG2 GLN 75 2HG GLN 75 1.557 3.625 -8.464 562 HG3 GLN 75 3HG GLN 75 2.869 3.273 -7.343 563 HE21 GLN 75 1HE2 GLN 75 4.449 1.752 -7.951 564 HE22 GLN 75 2HE2 GLN 75 4.672 1.293 -9.598 565 H ASN 76 H ASN 76 -1.499 2.091 -7.974 566 HA ASN 76 HA ASN 76 -1.811 4.643 -9.110 567 HB2 ASN 76 2HB ASN 76 -3.685 2.244 -9.135 568 HB3 ASN 76 3HB ASN 76 -4.007 3.718 -10.047 569 HD21 ASN 76 1HD2 ASN 76 -2.292 0.753 -9.998 570 HD22 ASN 76 2HD2 ASN 76 -1.446 0.960 -11.486 571 H MET 77 H MET 77 -3.535 3.081 -6.414 572 HA MET 77 HA MET 77 -5.597 4.960 -5.995 573 HB2 MET 77 2HB MET 77 -5.536 2.805 -4.798 574 HB3 MET 77 3HB MET 77 -4.054 3.273 -3.975 575 HG2 MET 77 2HG MET 77 -5.397 5.180 -2.911 576 HG3 MET 77 3HG MET 77 -6.837 4.386 -3.547 577 HE1 MET 77 3HE MET 77 -3.771 4.090 -1.126 578 HE2 MET 77 1HE MET 77 -3.550 2.667 -2.145 579 HE3 MET 77 2HE MET 77 -3.992 2.479 -0.448 580 H LEU 78 H LEU 78 -2.387 4.752 -4.406 581 HA LEU 78 HA LEU 78 -2.571 7.160 -2.935 582 HB2 LEU 78 2HB LEU 78 -0.145 5.531 -3.770 583 HB3 LEU 78 3HB LEU 78 -0.083 6.869 -2.635 584 HG LEU 78 HG LEU 78 -1.666 4.315 -2.180 585 HD11 LEU 78 1HD1 LEU 78 1.001 5.118 -0.995 586 HD12 LEU 78 2HD1 LEU 78 0.736 3.854 -2.201 587 HD13 LEU 78 3HD1 LEU 78 0.057 3.681 -0.586 588 HD21 LEU 78 3HD2 LEU 78 -1.849 5.118 0.151 589 HD22 LEU 78 1HD2 LEU 78 -2.623 6.219 -0.988 590 HD23 LEU 78 2HD2 LEU 78 -1.045 6.624 -0.306 591 H GLN 79 H GLN 79 -1.467 6.478 -6.202 592 HA GLN 79 HA GLN 79 -0.046 8.948 -6.612 593 HB2 GLN 79 2HB GLN 79 -0.894 6.725 -8.491 594 HB3 GLN 79 3HB GLN 79 -0.109 8.188 -9.082 595 HG2 GLN 79 2HG GLN 79 1.828 7.714 -7.615 596 HG3 GLN 79 3HG GLN 79 1.058 6.218 -7.099 597 HE21 GLN 79 1HE2 GLN 79 3.627 6.667 -8.485 598 HE22 GLN 79 2HE2 GLN 79 3.539 5.721 -9.930 599 H PHE 80 H PHE 80 -3.353 7.933 -6.949 600 HA PHE 80 HA PHE 80 -4.248 9.945 -8.769 601 HB2 PHE 80 2HB PHE 80 -5.586 7.928 -8.413 602 HB3 PHE 80 3HB PHE 80 -5.736 8.274 -6.695 603 HD1 PHE 80 HD1 PHE 80 -6.623 9.708 -10.062 604 HD2 PHE 80 HD2 PHE 80 -7.664 9.427 -5.916 605 HE1 PHE 80 HE1 PHE 80 -8.719 10.918 -10.493 606 HE2 PHE 80 HE2 PHE 80 -9.754 10.638 -6.365 607 HZ PHE 80 HZ PHE 80 -10.286 11.385 -8.652 608 H TYR 81 H TYR 81 -4.111 9.695 -5.226 609 HA TYR 81 HA TYR 81 -5.299 12.331 -4.802 610 HB2 TYR 81 2HB TYR 81 -4.184 10.316 -2.792 611 HB3 TYR 81 3HB TYR 81 -5.116 11.757 -2.389 612 HD1 TYR 81 HD1 TYR 81 -7.565 11.871 -3.092 613 HD2 TYR 81 HD2 TYR 81 -5.298 8.267 -3.393 614 HE1 TYR 81 HE1 TYR 81 -9.640 10.573 -3.253 615 HE2 TYR 81 HE2 TYR 81 -7.362 6.973 -3.565 616 HH TYR 81 HH TYR 81 -10.415 8.410 -4.091 617 H ILE 82 H ILE 82 -2.150 10.772 -4.672 618 HA ILE 82 HA ILE 82 -0.814 13.237 -3.709 619 HB ILE 82 HB ILE 82 0.007 10.380 -3.036 620 HG12 ILE 82 2HG1 ILE 82 -1.329 12.384 -1.149 621 HG13 ILE 82 3HG1 ILE 82 -2.168 11.047 -1.929 622 HG21 ILE 82 1HG2 ILE 82 1.568 11.417 -1.427 623 HG22 ILE 82 2HG2 ILE 82 1.050 13.025 -1.950 624 HG23 ILE 82 3HG2 ILE 82 1.887 11.954 -3.076 625 HD11 ILE 82 3HD1 ILE 82 -0.665 9.468 -0.771 626 HD12 ILE 82 1HD1 ILE 82 -1.625 10.461 0.326 627 HD13 ILE 82 2HD1 ILE 82 0.076 10.836 0.065 628 HA PRO 83 HA PRO 83 1.410 12.268 -7.634 629 HB2 PRO 83 2HB PRO 83 2.396 14.777 -8.077 630 HB3 PRO 83 3HB PRO 83 0.704 14.359 -8.427 631 HG2 PRO 83 2HG PRO 83 1.838 15.769 -6.019 632 HG3 PRO 83 3HG PRO 83 0.402 16.176 -6.991 633 HD2 PRO 83 2HD PRO 83 0.223 14.824 -4.617 634 HD3 PRO 83 3HD PRO 83 -0.932 14.579 -5.945 635 H GLU 84 H GLU 84 2.504 13.064 -4.507 636 HA GLU 84 HA GLU 84 5.340 13.087 -5.057 637 HB2 GLU 84 2HB GLU 84 3.783 12.813 -2.457 638 HB3 GLU 84 3HB GLU 84 5.537 12.779 -2.523 639 HG2 GLU 84 2HG GLU 84 4.784 14.980 -1.844 640 HG3 GLU 84 3HG GLU 84 5.575 15.071 -3.415 641 H VAL 85 H VAL 85 2.999 10.595 -4.908 642 HA VAL 85 HA VAL 85 4.826 8.501 -4.020 643 HB VAL 85 HB VAL 85 1.989 8.305 -5.141 644 HG11 VAL 85 1HG1 VAL 85 3.686 6.149 -3.804 645 HG12 VAL 85 2HG1 VAL 85 3.228 6.190 -5.508 646 HG13 VAL 85 3HG1 VAL 85 1.989 5.978 -4.270 647 HG21 VAL 85 3HG2 VAL 85 1.317 7.937 -2.790 648 HG22 VAL 85 1HG2 VAL 85 2.110 9.498 -2.967 649 HG23 VAL 85 2HG2 VAL 85 2.983 8.138 -2.259 650 H GLU 86 H GLU 86 6.452 8.219 -5.426 651 HA GLU 86 HA GLU 86 6.244 8.037 -8.274 652 HB2 GLU 86 2HB GLU 86 8.402 7.137 -6.319 653 HB3 GLU 86 3HB GLU 86 8.583 7.043 -8.070 654 HG2 GLU 86 2HG GLU 86 8.135 9.605 -6.496 655 HG3 GLU 86 3HG GLU 86 9.704 9.030 -7.064 656 H GLY 87 H GLY 87 6.100 5.753 -5.596 657 HA2 GLY 87 2HA GLY 87 4.682 3.763 -6.990 658 HA3 GLY 87 3HA GLY 87 6.391 3.331 -6.989 659 H VAL 88 H VAL 88 5.360 1.483 -5.843 660 HA VAL 88 HA VAL 88 5.442 1.842 -2.906 661 HB VAL 88 HB VAL 88 3.443 0.118 -4.470 662 HG11 VAL 88 1HG1 VAL 88 2.501 -0.611 -2.296 663 HG12 VAL 88 2HG1 VAL 88 3.784 0.254 -1.445 664 HG13 VAL 88 3HG1 VAL 88 4.180 -1.126 -2.470 665 HG21 VAL 88 3HG2 VAL 88 2.784 2.491 -4.356 666 HG22 VAL 88 1HG2 VAL 88 2.939 2.470 -2.596 667 HG23 VAL 88 2HG2 VAL 88 1.691 1.504 -3.389 668 H GLU 89 H GLU 89 6.398 0.029 -1.787 669 HA GLU 89 HA GLU 89 7.582 -2.145 -3.400 670 HB2 GLU 89 2HB GLU 89 9.301 -0.334 -3.155 671 HB3 GLU 89 3HB GLU 89 9.172 -0.467 -1.404 672 HG2 GLU 89 2HG GLU 89 9.985 -2.819 -1.551 673 HG3 GLU 89 3HG GLU 89 10.147 -2.631 -3.297 674 H GLN 90 H GLN 90 7.963 -4.058 -2.263 675 HA GLN 90 HA GLN 90 6.475 -4.479 0.216 676 HB2 GLN 90 2HB GLN 90 6.268 -6.169 -1.546 677 HB3 GLN 90 3HB GLN 90 8.014 -6.380 -1.612 678 HG2 GLN 90 2HG GLN 90 7.928 -7.262 0.751 679 HG3 GLN 90 3HG GLN 90 6.171 -7.169 0.671 680 HE21 GLN 90 1HE2 GLN 90 6.036 -9.423 1.030 681 HE22 GLN 90 2HE2 GLN 90 6.416 -10.566 -0.209 682 H VAL 91 H VAL 91 7.416 -4.399 2.171 683 HA VAL 91 HA VAL 91 10.170 -5.302 2.648 684 HB VAL 91 HB VAL 91 10.344 -3.361 4.409 685 HG11 VAL 91 1HG1 VAL 91 11.791 -3.409 2.410 686 HG12 VAL 91 2HG1 VAL 91 11.307 -1.756 2.798 687 HG13 VAL 91 3HG1 VAL 91 10.528 -2.616 1.465 688 HG21 VAL 91 3HG2 VAL 91 8.285 -2.083 2.571 689 HG22 VAL 91 1HG2 VAL 91 9.106 -1.304 3.928 690 HG23 VAL 91 2HG2 VAL 91 7.975 -2.623 4.218 691 H MET 92 H MET 92 9.777 -7.049 3.992 692 HA MET 92 HA MET 92 7.663 -6.815 6.072 693 HB2 MET 92 2HB MET 92 8.823 -9.380 4.898 694 HB3 MET 92 3HB MET 92 7.493 -9.269 6.046 695 HG2 MET 92 2HG MET 92 6.144 -8.108 4.310 696 HG3 MET 92 3HG MET 92 7.474 -8.320 3.169 697 HE1 MET 92 3HE MET 92 8.445 -11.347 4.191 698 HE2 MET 92 1HE MET 92 8.413 -10.820 2.508 699 HE3 MET 92 2HE MET 92 7.594 -12.308 2.983 700 H ASP 93 H ASP 93 8.747 -6.042 7.841 701 HA ASP 93 HA ASP 93 11.189 -7.223 8.833 702 HB2 ASP 93 2HB ASP 93 10.758 -5.932 10.912 703 HB3 ASP 93 3HB ASP 93 10.636 -4.916 9.483 704 H ASP 94 H ASP 94 10.796 -9.412 8.736 705 HA ASP 94 HA ASP 94 8.371 -10.615 9.599 706 HB2 ASP 94 2HB ASP 94 9.416 -12.754 9.065 707 HB3 ASP 94 3HB ASP 94 9.725 -11.593 7.786 708 H GLU 95 H GLU 95 7.793 -11.374 11.527 709 HA GLU 95 HA GLU 95 9.332 -10.702 13.859 710 HB2 GLU 95 2HB GLU 95 6.658 -12.133 13.590 711 HB3 GLU 95 3HB GLU 95 7.341 -11.549 15.106 712 HG2 GLU 95 2HG GLU 95 7.213 -9.236 14.315 713 HG3 GLU 95 3HG GLU 95 6.622 -9.776 12.742 714 H SER 96 H SER 96 9.594 -13.339 11.905 715 HA SER 96 HA SER 96 10.484 -15.239 13.934 716 HB2 SER 96 2HB SER 96 10.693 -15.292 10.888 717 HB3 SER 96 3HB SER 96 11.044 -16.649 11.966 718 HG SER 96 HG SER 96 8.532 -15.363 11.597 719 H ASP 97 H ASP 97 11.729 -12.949 14.419 720 HA ASP 97 HA ASP 97 14.385 -12.869 13.152 721 HB2 ASP 97 2HB ASP 97 13.140 -10.750 13.243 722 HB3 ASP 97 3HB ASP 97 12.924 -10.904 14.981 Start of MODEL 11 1 H1 MET 1 1H MET 1 6.297 26.087 31.357 2 H2 MET 1 2H MET 1 5.128 26.933 32.237 3 H3 MET 1 3H MET 1 6.421 27.766 31.540 4 HA MET 1 HA MET 1 4.323 26.290 30.047 5 HB2 MET 1 2HB MET 1 3.352 28.431 29.424 6 HB3 MET 1 3HB MET 1 3.468 28.369 31.177 7 HG2 MET 1 2HG MET 1 5.427 29.811 31.137 8 HG3 MET 1 3HG MET 1 5.423 29.809 29.371 9 HE1 MET 1 3HE MET 1 4.276 33.482 30.037 10 HE2 MET 1 1HE MET 1 5.364 32.442 29.118 11 HE3 MET 1 2HE MET 1 5.530 32.566 30.872 12 H GLY 2 H GLY 2 7.509 27.400 30.087 13 HA2 GLY 2 2HA GLY 2 7.872 28.135 27.344 14 HA3 GLY 2 3HA GLY 2 9.127 27.740 28.508 15 H HIS 3 H HIS 3 7.036 26.493 26.002 16 HA HIS 3 HA HIS 3 8.831 24.247 25.607 17 HB2 HIS 3 2HB HIS 3 7.083 22.491 25.590 18 HB3 HIS 3 3HB HIS 3 7.267 23.203 27.179 19 HD1 HIS 3 HD1 HIS 3 4.814 22.774 24.394 20 HD2 HIS 3 HD2 HIS 3 4.992 24.655 28.099 21 HE1 HIS 3 HE1 HIS 3 2.435 23.314 24.993 22 HE2 HIS 3 HE2 HIS 3 2.565 24.372 27.275 23 H HIS 4 H HIS 4 9.173 25.856 23.888 24 HA HIS 4 HA HIS 4 8.345 24.639 21.470 25 HB2 HIS 4 2HB HIS 4 6.302 26.098 21.802 26 HB3 HIS 4 3HB HIS 4 7.346 27.515 21.784 27 HD1 HIS 4 HD1 HIS 4 7.848 28.493 19.505 28 HD2 HIS 4 HD2 HIS 4 6.253 24.655 19.269 29 HE1 HIS 4 HE1 HIS 4 7.448 28.069 17.051 30 HE2 HIS 4 HE2 HIS 4 6.388 25.786 16.954 31 H HIS 5 H HIS 5 10.493 24.467 20.993 32 HA HIS 5 HA HIS 5 12.274 26.797 21.122 33 HB2 HIS 5 2HB HIS 5 13.029 24.477 21.844 34 HB3 HIS 5 3HB HIS 5 12.927 23.968 20.162 35 HD1 HIS 5 HD1 HIS 5 14.792 26.421 22.359 36 HD2 HIS 5 HD2 HIS 5 15.189 24.536 18.679 37 HE1 HIS 5 HE1 HIS 5 17.083 27.024 21.537 38 HE2 HIS 5 HE2 HIS 5 17.238 25.999 19.244 39 H HIS 6 H HIS 6 12.005 28.214 19.456 40 HA HIS 6 HA HIS 6 11.274 27.328 16.784 41 HB2 HIS 6 2HB HIS 6 11.065 29.618 16.184 42 HB3 HIS 6 3HB HIS 6 10.448 29.505 17.821 43 HD1 HIS 6 HD1 HIS 6 12.140 31.808 15.923 44 HD2 HIS 6 HD2 HIS 6 12.994 30.170 19.637 45 HE1 HIS 6 HE1 HIS 6 13.639 33.462 17.055 46 HE2 HIS 6 HE2 HIS 6 14.172 32.440 19.299 47 H HIS 7 H HIS 7 12.584 27.632 14.899 48 HA HIS 7 HA HIS 7 15.492 27.283 15.452 49 HB2 HIS 7 2HB HIS 7 13.729 25.786 13.464 50 HB3 HIS 7 3HB HIS 7 15.473 25.596 13.596 51 HD1 HIS 7 HD1 HIS 7 12.299 24.367 14.980 52 HD2 HIS 7 HD2 HIS 7 16.303 24.348 16.081 53 HE1 HIS 7 HE1 HIS 7 12.510 22.588 16.734 54 HE2 HIS 7 HE2 HIS 7 14.978 22.458 17.233 55 H HIS 8 H HIS 8 16.947 27.973 13.868 56 HA HIS 8 HA HIS 8 15.944 29.738 11.720 57 HB2 HIS 8 2HB HIS 8 18.606 29.597 13.169 58 HB3 HIS 8 3HB HIS 8 18.507 30.343 11.580 59 HD1 HIS 8 HD1 HIS 8 18.593 32.774 11.932 60 HD2 HIS 8 HD2 HIS 8 16.147 30.923 14.739 61 HE1 HIS 8 HE1 HIS 8 17.588 34.634 13.286 62 HE2 HIS 8 HE2 HIS 8 16.245 33.482 15.077 63 H SER 9 H SER 9 18.251 27.039 12.305 64 HA SER 9 HA SER 9 18.762 26.676 9.477 65 HB2 SER 9 2HB SER 9 20.119 24.681 10.263 66 HB3 SER 9 3HB SER 9 20.580 26.214 11.002 67 HG SER 9 HG SER 9 19.020 24.142 12.140 68 H HIS 10 H HIS 10 16.607 26.370 8.726 69 HA HIS 10 HA HIS 10 15.155 23.905 9.400 70 HB2 HIS 10 2HB HIS 10 13.893 26.046 9.159 71 HB3 HIS 10 3HB HIS 10 14.451 26.205 7.501 72 HD1 HIS 10 HD1 HIS 10 11.954 24.438 9.625 73 HD2 HIS 10 HD2 HIS 10 13.114 24.486 5.646 74 HE1 HIS 10 HE1 HIS 10 10.101 23.307 8.381 75 HE2 HIS 10 HE2 HIS 10 10.911 23.195 5.995 76 H MET 11 H MET 11 16.349 22.249 8.515 77 HA MET 11 HA MET 11 17.665 22.350 5.960 78 HB2 MET 11 2HB MET 11 17.087 19.995 7.809 79 HB3 MET 11 3HB MET 11 18.122 19.910 6.388 80 HG2 MET 11 2HG MET 11 19.683 21.500 7.426 81 HG3 MET 11 3HG MET 11 18.638 21.610 8.847 82 HE1 MET 11 3HE MET 11 21.755 19.508 10.115 83 HE2 MET 11 1HE MET 11 20.779 20.948 10.400 84 HE3 MET 11 2HE MET 11 21.781 20.831 8.953 85 H GLY 12 H GLY 12 17.262 20.800 4.223 86 HA2 GLY 12 2HA GLY 12 14.518 20.634 3.386 87 HA3 GLY 12 3HA GLY 12 15.923 20.024 2.527 88 H SER 13 H SER 13 16.231 18.726 5.496 89 HA SER 13 HA SER 13 15.335 16.108 4.812 90 HB2 SER 13 2HB SER 13 16.264 17.202 7.495 91 HB3 SER 13 3HB SER 13 16.191 15.498 7.025 92 HG SER 13 HG SER 13 17.748 16.010 5.373 93 H GLU 14 H GLU 14 13.121 16.521 4.369 94 HA GLU 14 HA GLU 14 11.318 16.675 6.694 95 HB2 GLU 14 2HB GLU 14 11.052 18.356 4.157 96 HB3 GLU 14 3HB GLU 14 9.851 18.270 5.442 97 HG2 GLU 14 2HG GLU 14 11.375 19.341 7.003 98 HG3 GLU 14 3HG GLU 14 12.675 19.332 5.806 99 H GLU 15 H GLU 15 9.345 15.658 6.374 100 HA GLU 15 HA GLU 15 8.482 14.977 3.680 101 HB2 GLU 15 2HB GLU 15 7.762 12.713 4.214 102 HB3 GLU 15 3HB GLU 15 9.484 12.835 4.528 103 HG2 GLU 15 2HG GLU 15 7.316 12.917 6.661 104 HG3 GLU 15 3HG GLU 15 8.231 11.482 6.211 105 H ASP 16 H ASP 16 6.302 15.296 3.435 106 HA ASP 16 HA ASP 16 4.975 16.911 5.369 107 HB2 ASP 16 2HB ASP 16 3.842 15.579 2.868 108 HB3 ASP 16 3HB ASP 16 3.062 16.863 3.788 109 H ASP 17 H ASP 17 4.362 16.048 7.232 110 HA ASP 17 HA ASP 17 3.735 13.356 7.753 111 HB2 ASP 17 2HB ASP 17 3.032 14.095 9.967 112 HB3 ASP 17 3HB ASP 17 4.479 14.979 9.502 113 H GLY 18 H GLY 18 1.777 15.990 6.574 114 HA2 GLY 18 2HA GLY 18 -0.813 14.901 7.016 115 HA3 GLY 18 3HA GLY 18 -0.379 16.113 5.817 116 H VAL 19 H VAL 19 1.464 14.695 4.268 117 HA VAL 19 HA VAL 19 -0.106 13.068 2.567 118 HB VAL 19 HB VAL 19 2.933 13.408 2.755 119 HG11 VAL 19 1HG1 VAL 19 1.387 11.865 0.622 120 HG12 VAL 19 2HG1 VAL 19 2.533 11.182 1.777 121 HG13 VAL 19 3HG1 VAL 19 3.100 12.287 0.527 122 HG21 VAL 19 3HG2 VAL 19 2.654 14.731 0.676 123 HG22 VAL 19 1HG2 VAL 19 1.696 15.407 1.997 124 HG23 VAL 19 2HG2 VAL 19 0.911 14.461 0.730 125 H VAL 20 H VAL 20 2.420 12.262 4.939 126 HA VAL 20 HA VAL 20 2.426 9.467 4.721 127 HB VAL 20 HB VAL 20 3.078 11.231 7.133 128 HG11 VAL 20 1HG1 VAL 20 4.438 9.322 7.988 129 HG12 VAL 20 2HG1 VAL 20 3.826 8.312 6.677 130 HG13 VAL 20 3HG1 VAL 20 2.721 8.918 7.909 131 HG21 VAL 20 3HG2 VAL 20 4.910 10.048 5.000 132 HG22 VAL 20 1HG2 VAL 20 5.441 10.993 6.394 133 HG23 VAL 20 2HG2 VAL 20 4.454 11.747 5.141 134 H ALA 21 H ALA 21 0.472 11.625 6.738 135 HA ALA 21 HA ALA 21 -0.849 9.681 8.323 136 HB1 ALA 21 3HB ALA 21 -0.733 12.045 9.000 137 HB2 ALA 21 1HB ALA 21 -2.410 11.502 8.929 138 HB3 ALA 21 2HB ALA 21 -1.748 12.506 7.634 139 H MET 22 H MET 22 -1.769 11.347 5.293 140 HA MET 22 HA MET 22 -4.345 10.084 5.186 141 HB2 MET 22 2HB MET 22 -4.728 11.192 3.098 142 HB3 MET 22 3HB MET 22 -3.944 12.333 4.175 143 HG2 MET 22 2HG MET 22 -1.863 12.124 2.991 144 HG3 MET 22 3HG MET 22 -2.492 10.802 2.008 145 HE1 MET 22 3HE MET 22 -5.155 12.692 -0.222 146 HE2 MET 22 1HE MET 22 -5.483 11.894 1.316 147 HE3 MET 22 2HE MET 22 -4.411 11.136 0.137 148 H ILE 23 H ILE 23 -1.134 9.233 3.977 149 HA ILE 23 HA ILE 23 -1.927 7.170 2.197 150 HB ILE 23 HB ILE 23 0.597 7.376 3.905 151 HG12 ILE 23 2HG1 ILE 23 0.187 7.848 0.914 152 HG13 ILE 23 3HG1 ILE 23 0.367 9.112 2.122 153 HG21 ILE 23 1HG2 ILE 23 -0.001 5.367 1.692 154 HG22 ILE 23 2HG2 ILE 23 0.190 5.004 3.407 155 HG23 ILE 23 3HG2 ILE 23 1.568 5.579 2.475 156 HD11 ILE 23 3HD1 ILE 23 2.466 7.099 1.312 157 HD12 ILE 23 1HD1 ILE 23 2.660 8.321 2.576 158 HD13 ILE 23 2HD1 ILE 23 2.416 8.813 0.901 159 H LYS 24 H LYS 24 -1.203 7.193 5.702 160 HA LYS 24 HA LYS 24 -1.652 4.498 6.294 161 HB2 LYS 24 2HB LYS 24 -2.195 6.932 8.042 162 HB3 LYS 24 3HB LYS 24 -2.138 5.272 8.634 163 HG2 LYS 24 2HG LYS 24 0.234 5.112 8.008 164 HG3 LYS 24 3HG LYS 24 0.178 6.754 7.356 165 HD2 LYS 24 2HD LYS 24 -0.400 7.610 9.645 166 HD3 LYS 24 3HD LYS 24 -0.243 5.965 10.271 167 HE2 LYS 24 2HE LYS 24 2.128 5.937 9.588 168 HE3 LYS 24 3HE LYS 24 1.967 7.573 8.952 169 HZ1 LYS 24 3HZ LYS 24 2.983 7.588 11.112 170 HZ2 LYS 24 1HZ LYS 24 1.668 6.765 11.791 171 HZ3 LYS 24 2HZ LYS 24 1.469 8.330 11.195 172 H GLU 25 H GLU 25 -4.040 7.167 6.100 173 HA GLU 25 HA GLU 25 -6.219 5.564 7.050 174 HB2 GLU 25 2HB GLU 25 -7.626 7.424 6.802 175 HB3 GLU 25 3HB GLU 25 -6.063 8.158 7.128 176 HG2 GLU 25 2HG GLU 25 -5.795 8.609 4.699 177 HG3 GLU 25 3HG GLU 25 -7.388 7.908 4.405 178 H LEU 26 H LEU 26 -5.078 6.542 3.798 179 HA LEU 26 HA LEU 26 -7.199 5.457 2.272 180 HB2 LEU 26 2HB LEU 26 -4.303 6.023 1.576 181 HB3 LEU 26 3HB LEU 26 -5.468 5.463 0.387 182 HG LEU 26 HG LEU 26 -5.702 8.072 1.932 183 HD11 LEU 26 1HD1 LEU 26 -3.799 8.121 0.391 184 HD12 LEU 26 2HD1 LEU 26 -5.094 9.192 -0.140 185 HD13 LEU 26 3HD1 LEU 26 -4.858 7.635 -0.939 186 HD21 LEU 26 3HD2 LEU 26 -7.345 7.027 -0.395 187 HD22 LEU 26 1HD2 LEU 26 -7.494 8.625 0.344 188 HD23 LEU 26 2HD2 LEU 26 -7.893 7.185 1.277 189 H LEU 27 H LEU 27 -4.234 4.021 3.559 190 HA LEU 27 HA LEU 27 -4.495 1.456 2.360 191 HB2 LEU 27 2HB LEU 27 -3.193 2.289 4.987 192 HB3 LEU 27 3HB LEU 27 -3.030 0.695 4.264 193 HG LEU 27 HG LEU 27 -2.024 3.280 3.004 194 HD11 LEU 27 1HD1 LEU 27 -0.752 2.743 5.016 195 HD12 LEU 27 2HD1 LEU 27 0.222 2.520 3.567 196 HD13 LEU 27 3HD1 LEU 27 -0.442 1.114 4.405 197 HD21 LEU 27 3HD2 LEU 27 -0.857 1.835 1.400 198 HD22 LEU 27 1HD2 LEU 27 -2.600 1.595 1.315 199 HD23 LEU 27 2HD2 LEU 27 -1.588 0.404 2.135 200 H ASP 28 H ASP 28 -5.444 2.755 5.553 201 HA ASP 28 HA ASP 28 -6.422 0.312 6.593 202 HB2 ASP 28 2HB ASP 28 -5.635 2.200 7.986 203 HB3 ASP 28 3HB ASP 28 -7.034 3.152 7.492 204 H THR 29 H THR 29 -8.008 2.818 4.743 205 HA THR 29 HA THR 29 -10.705 1.888 5.365 206 HB THR 29 HB THR 29 -11.444 3.877 4.019 207 HG1 THR 29 HG1 THR 29 -8.986 5.058 3.892 208 HG21 THR 29 3HG2 THR 29 -11.069 4.172 6.442 209 HG22 THR 29 1HG2 THR 29 -10.634 5.634 5.550 210 HG23 THR 29 2HG2 THR 29 -9.373 4.549 6.137 211 H ARG 30 H ARG 30 -8.451 1.980 2.623 212 HA ARG 30 HA ARG 30 -10.479 0.727 0.856 213 HB2 ARG 30 2HB ARG 30 -7.950 2.251 0.143 214 HB3 ARG 30 3HB ARG 30 -9.000 1.461 -1.032 215 HG2 ARG 30 2HG ARG 30 -10.870 2.967 -0.257 216 HG3 ARG 30 3HG ARG 30 -9.696 3.839 0.735 217 HD2 ARG 30 2HD ARG 30 -10.138 4.939 -1.476 218 HD3 ARG 30 3HD ARG 30 -8.444 4.492 -1.247 219 HE ARG 30 HE ARG 30 -9.087 2.400 -2.570 220 HH11 ARG 30 1HH1 ARG 30 -10.546 5.515 -3.246 221 HH12 ARG 30 2HH1 ARG 30 -10.841 5.129 -4.912 222 HH21 ARG 30 1HH2 ARG 30 -9.459 1.934 -4.722 223 HH22 ARG 30 2HH2 ARG 30 -10.228 3.101 -5.755 224 H ILE 31 H ILE 31 -6.956 0.501 1.608 225 HA ILE 31 HA ILE 31 -6.648 -1.751 -0.190 226 HB ILE 31 HB ILE 31 -4.622 -0.473 1.693 227 HG12 ILE 31 2HG1 ILE 31 -5.382 1.107 -0.045 228 HG13 ILE 31 3HG1 ILE 31 -3.718 0.629 -0.345 229 HG21 ILE 31 1HG2 ILE 31 -4.147 -2.473 -0.552 230 HG22 ILE 31 2HG2 ILE 31 -3.968 -2.777 1.175 231 HG23 ILE 31 3HG2 ILE 31 -2.883 -1.647 0.368 232 HD11 ILE 31 3HD1 ILE 31 -4.497 -0.899 -2.102 233 HD12 ILE 31 1HD1 ILE 31 -4.970 0.774 -2.399 234 HD13 ILE 31 2HD1 ILE 31 -6.158 -0.382 -1.795 235 H ARG 32 H ARG 32 -5.863 -1.381 3.293 236 HA ARG 32 HA ARG 32 -5.293 -3.920 3.993 237 HB2 ARG 32 2HB ARG 32 -6.780 -1.901 5.705 238 HB3 ARG 32 3HB ARG 32 -6.111 -3.405 6.325 239 HG2 ARG 32 2HG ARG 32 -3.833 -2.594 5.539 240 HG3 ARG 32 3HG ARG 32 -4.586 -1.031 5.206 241 HD2 ARG 32 2HD ARG 32 -3.504 -0.986 7.398 242 HD3 ARG 32 3HD ARG 32 -5.257 -0.887 7.619 243 HE ARG 32 HE ARG 32 -3.945 -3.517 7.770 244 HH11 ARG 32 1HH1 ARG 32 -5.567 -0.948 9.551 245 HH12 ARG 32 2HH1 ARG 32 -5.808 -1.935 10.954 246 HH21 ARG 32 1HH2 ARG 32 -4.306 -4.782 9.603 247 HH22 ARG 32 2HH2 ARG 32 -5.101 -4.100 10.992 248 HA PRO 33 HA PRO 33 -10.117 -5.026 4.930 249 HB2 PRO 33 2HB PRO 33 -11.260 -3.316 2.707 250 HB3 PRO 33 3HB PRO 33 -11.990 -3.777 4.263 251 HG2 PRO 33 2HG PRO 33 -11.043 -1.333 3.930 252 HG3 PRO 33 3HG PRO 33 -10.764 -2.197 5.463 253 HD2 PRO 33 2HD PRO 33 -8.852 -1.722 3.192 254 HD3 PRO 33 3HD PRO 33 -8.551 -1.696 4.942 255 H THR 34 H THR 34 -9.246 -4.075 1.596 256 HA THR 34 HA THR 34 -10.368 -6.257 0.216 257 HB THR 34 HB THR 34 -8.032 -4.442 -0.555 258 HG1 THR 34 HG1 THR 34 -10.787 -4.142 -0.490 259 HG21 THR 34 3HG2 THR 34 -8.081 -6.429 -2.023 260 HG22 THR 34 1HG2 THR 34 -8.588 -4.986 -2.903 261 HG23 THR 34 2HG2 THR 34 -9.792 -6.153 -2.356 262 H VAL 35 H VAL 35 -7.085 -5.727 1.483 263 HA VAL 35 HA VAL 35 -5.956 -8.168 0.487 264 HB VAL 35 HB VAL 35 -4.807 -6.518 2.793 265 HG11 VAL 35 1HG1 VAL 35 -3.685 -8.680 2.383 266 HG12 VAL 35 2HG1 VAL 35 -2.621 -7.345 1.945 267 HG13 VAL 35 3HG1 VAL 35 -3.454 -8.260 0.685 268 HG21 VAL 35 3HG2 VAL 35 -3.582 -5.175 1.112 269 HG22 VAL 35 1HG2 VAL 35 -5.324 -4.976 0.938 270 HG23 VAL 35 2HG2 VAL 35 -4.442 -6.004 -0.185 271 H GLN 36 H GLN 36 -7.587 -7.252 3.463 272 HA GLN 36 HA GLN 36 -6.971 -9.631 4.953 273 HB2 GLN 36 2HB GLN 36 -9.063 -7.466 5.368 274 HB3 GLN 36 3HB GLN 36 -8.855 -8.821 6.475 275 HG2 GLN 36 2HG GLN 36 -6.602 -8.090 7.029 276 HG3 GLN 36 3HG GLN 36 -6.673 -6.816 5.814 277 HE21 GLN 36 1HE2 GLN 36 -6.251 -5.200 7.335 278 HE22 GLN 36 2HE2 GLN 36 -7.411 -4.697 8.513 279 H GLU 37 H GLU 37 -9.465 -8.725 2.639 280 HA GLU 37 HA GLU 37 -11.091 -11.093 2.953 281 HB2 GLU 37 2HB GLU 37 -10.808 -9.159 0.611 282 HB3 GLU 37 3HB GLU 37 -12.014 -10.441 0.698 283 HG2 GLU 37 2HG GLU 37 -13.052 -9.365 2.635 284 HG3 GLU 37 3HG GLU 37 -11.809 -8.120 2.641 285 H ASP 38 H ASP 38 -8.250 -10.152 1.116 286 HA ASP 38 HA ASP 38 -8.090 -12.479 -0.550 287 HB2 ASP 38 2HB ASP 38 -7.141 -10.195 -1.090 288 HB3 ASP 38 3HB ASP 38 -5.916 -10.457 0.142 289 H GLY 39 H GLY 39 -7.056 -11.716 2.689 290 HA2 GLY 39 2HA GLY 39 -6.961 -13.800 4.065 291 HA3 GLY 39 3HA GLY 39 -5.759 -14.385 2.925 292 H GLY 40 H GLY 40 -4.625 -11.551 2.784 293 HA2 GLY 40 2HA GLY 40 -2.895 -11.785 5.193 294 HA3 GLY 40 3HA GLY 40 -2.431 -11.091 3.648 295 H ASP 41 H ASP 41 -1.793 -9.119 4.362 296 HA ASP 41 HA ASP 41 -3.661 -7.041 4.714 297 HB2 ASP 41 2HB ASP 41 -3.839 -8.064 7.026 298 HB3 ASP 41 3HB ASP 41 -2.122 -7.760 7.262 299 H VAL 42 H VAL 42 -2.477 -4.919 5.196 300 HA VAL 42 HA VAL 42 0.349 -5.005 4.321 301 HB VAL 42 HB VAL 42 0.050 -2.891 3.057 302 HG11 VAL 42 1HG1 VAL 42 -1.184 -3.801 1.114 303 HG12 VAL 42 2HG1 VAL 42 -1.860 -5.072 2.134 304 HG13 VAL 42 3HG1 VAL 42 -0.125 -5.017 1.828 305 HG21 VAL 42 3HG2 VAL 42 -2.192 -1.995 2.531 306 HG22 VAL 42 1HG2 VAL 42 -1.883 -1.935 4.267 307 HG23 VAL 42 2HG2 VAL 42 -2.932 -3.188 3.602 308 H ILE 43 H ILE 43 1.679 -4.117 5.721 309 HA ILE 43 HA ILE 43 0.641 -2.373 7.884 310 HB ILE 43 HB ILE 43 3.231 -4.012 7.844 311 HG12 ILE 43 2HG1 ILE 43 2.075 -5.313 9.767 312 HG13 ILE 43 3HG1 ILE 43 0.568 -4.576 9.243 313 HG21 ILE 43 1HG2 ILE 43 3.443 -3.399 10.239 314 HG22 ILE 43 2HG2 ILE 43 2.011 -2.374 10.103 315 HG23 ILE 43 3HG2 ILE 43 3.470 -1.977 9.194 316 HD11 ILE 43 3HD1 ILE 43 0.846 -6.851 8.429 317 HD12 ILE 43 1HD1 ILE 43 2.320 -6.386 7.584 318 HD13 ILE 43 2HD1 ILE 43 0.765 -5.702 7.096 319 H TYR 44 H TYR 44 1.220 -0.265 7.805 320 HA TYR 44 HA TYR 44 2.901 0.772 5.749 321 HB2 TYR 44 2HB TYR 44 0.948 2.021 6.706 322 HB3 TYR 44 3HB TYR 44 1.854 2.245 8.199 323 HD1 TYR 44 HD2 TYR 44 2.288 2.832 4.488 324 HD2 TYR 44 HD1 TYR 44 3.019 4.316 8.428 325 HE1 TYR 44 HE2 TYR 44 3.258 4.875 3.551 326 HE2 TYR 44 HE1 TYR 44 3.987 6.345 7.484 327 HH TYR 44 HH TYR 44 3.604 7.214 4.242 328 H LYS 45 H LYS 45 5.021 0.461 5.771 329 HA LYS 45 HA LYS 45 6.532 0.338 8.293 330 HB2 LYS 45 2HB LYS 45 7.167 -0.597 5.471 331 HB3 LYS 45 3HB LYS 45 8.341 -0.646 6.785 332 HG2 LYS 45 2HG LYS 45 5.656 -2.077 6.858 333 HG3 LYS 45 3HG LYS 45 7.170 -2.835 6.344 334 HD2 LYS 45 2HD LYS 45 8.160 -2.464 8.563 335 HD3 LYS 45 3HD LYS 45 6.724 -1.586 9.095 336 HE2 LYS 45 2HE LYS 45 5.385 -3.624 8.937 337 HE3 LYS 45 3HE LYS 45 6.758 -4.510 8.281 338 HZ1 LYS 45 3HZ LYS 45 6.638 -3.307 10.984 339 HZ2 LYS 45 1HZ LYS 45 7.922 -4.204 10.346 340 HZ3 LYS 45 2HZ LYS 45 6.424 -4.946 10.631 341 H GLY 46 H GLY 46 6.359 2.195 5.244 342 HA2 GLY 46 2HA GLY 46 7.545 4.477 6.417 343 HA3 GLY 46 3HA GLY 46 8.783 3.612 5.520 344 H PHE 47 H PHE 47 8.632 5.924 4.672 345 HA PHE 47 HA PHE 47 7.604 5.786 1.973 346 HB2 PHE 47 2HB PHE 47 5.692 6.794 3.283 347 HB3 PHE 47 3HB PHE 47 6.758 8.077 3.826 348 HD1 PHE 47 HD2 PHE 47 5.688 6.531 0.560 349 HD2 PHE 47 HD1 PHE 47 6.452 10.142 2.718 350 HE1 PHE 47 HE2 PHE 47 4.949 7.852 -1.373 351 HE2 PHE 47 HE1 PHE 47 5.699 11.450 0.777 352 HZ PHE 47 HZ PHE 47 4.950 10.311 -1.272 353 H GLU 48 H GLU 48 9.513 6.166 0.987 354 HA GLU 48 HA GLU 48 11.180 8.487 1.704 355 HB2 GLU 48 2HB GLU 48 12.286 5.645 1.380 356 HB3 GLU 48 3HB GLU 48 13.267 7.099 1.511 357 HG2 GLU 48 2HG GLU 48 12.445 7.449 3.813 358 HG3 GLU 48 3HG GLU 48 11.455 5.997 3.688 359 H ASP 49 H ASP 49 11.821 9.535 -0.121 360 HA ASP 49 HA ASP 49 12.177 10.125 -2.280 361 HB2 ASP 49 2HB ASP 49 13.789 8.107 -2.091 362 HB3 ASP 49 3HB ASP 49 12.573 7.175 -2.952 363 H GLY 50 H GLY 50 9.487 9.333 -1.321 364 HA2 GLY 50 2HA GLY 50 7.352 9.442 -2.191 365 HA3 GLY 50 3HA GLY 50 8.014 9.359 -3.815 366 H ILE 51 H ILE 51 9.237 6.863 -1.918 367 HA ILE 51 HA ILE 51 7.471 4.895 -3.206 368 HB ILE 51 HB ILE 51 10.209 4.472 -1.926 369 HG12 ILE 51 2HG1 ILE 51 10.412 5.914 -3.931 370 HG13 ILE 51 3HG1 ILE 51 11.103 4.329 -4.250 371 HG21 ILE 51 1HG2 ILE 51 10.180 2.283 -3.086 372 HG22 ILE 51 2HG2 ILE 51 8.538 2.611 -3.647 373 HG23 ILE 51 3HG2 ILE 51 8.860 2.430 -1.922 374 HD11 ILE 51 3HD1 ILE 51 9.061 3.722 -5.492 375 HD12 ILE 51 1HD1 ILE 51 9.881 5.131 -6.160 376 HD13 ILE 51 2HD1 ILE 51 8.419 5.342 -5.197 377 H VAL 52 H VAL 52 5.918 4.081 -1.971 378 HA VAL 52 HA VAL 52 5.865 4.339 0.921 379 HB VAL 52 HB VAL 52 3.816 2.978 -0.889 380 HG11 VAL 52 1HG1 VAL 52 3.523 4.112 1.920 381 HG12 VAL 52 2HG1 VAL 52 3.562 2.402 1.489 382 HG13 VAL 52 3HG1 VAL 52 2.217 3.411 0.957 383 HG21 VAL 52 3HG2 VAL 52 3.814 5.883 0.011 384 HG22 VAL 52 1HG2 VAL 52 2.553 5.087 -0.930 385 HG23 VAL 52 2HG2 VAL 52 4.155 5.324 -1.627 386 H GLN 53 H GLN 53 6.933 2.827 2.086 387 HA GLN 53 HA GLN 53 7.424 0.142 1.051 388 HB2 GLN 53 2HB GLN 53 8.418 1.609 3.525 389 HB3 GLN 53 3HB GLN 53 8.911 -0.026 3.074 390 HG2 GLN 53 2HG GLN 53 10.020 0.742 1.108 391 HG3 GLN 53 3HG GLN 53 9.282 2.340 1.221 392 HE21 GLN 53 1HE2 GLN 53 11.242 3.349 1.146 393 HE22 GLN 53 2HE2 GLN 53 12.357 3.353 2.460 394 H LEU 54 H LEU 54 6.113 -1.492 1.546 395 HA LEU 54 HA LEU 54 4.474 -1.428 4.020 396 HB2 LEU 54 2HB LEU 54 3.579 -2.331 1.253 397 HB3 LEU 54 3HB LEU 54 2.628 -2.490 2.723 398 HG LEU 54 HG LEU 54 3.421 0.134 1.391 399 HD11 LEU 54 1HD1 LEU 54 1.728 -1.070 0.120 400 HD12 LEU 54 2HD1 LEU 54 1.044 0.368 0.870 401 HD13 LEU 54 3HD1 LEU 54 0.722 -1.225 1.563 402 HD21 LEU 54 3HD2 LEU 54 3.298 0.426 3.811 403 HD22 LEU 54 1HD2 LEU 54 1.703 -0.335 3.850 404 HD23 LEU 54 2HD2 LEU 54 1.928 1.213 3.031 405 H LYS 55 H LYS 55 4.281 -3.348 5.078 406 HA LYS 55 HA LYS 55 5.729 -5.700 4.095 407 HB2 LYS 55 2HB LYS 55 6.035 -5.209 6.451 408 HB3 LYS 55 3HB LYS 55 4.297 -5.174 6.733 409 HG2 LYS 55 2HG LYS 55 4.115 -7.562 6.338 410 HG3 LYS 55 3HG LYS 55 5.798 -7.656 5.814 411 HD2 LYS 55 2HD LYS 55 6.592 -7.196 8.046 412 HD3 LYS 55 3HD LYS 55 4.959 -6.842 8.621 413 HE2 LYS 55 2HE LYS 55 5.842 -9.122 9.267 414 HE3 LYS 55 3HE LYS 55 4.302 -9.146 8.418 415 HZ1 LYS 55 3HZ LYS 55 5.780 -10.862 7.626 416 HZ2 LYS 55 1HZ LYS 55 6.955 -9.721 7.213 417 HZ3 LYS 55 2HZ LYS 55 5.474 -9.751 6.393 418 H LEU 56 H LEU 56 4.686 -7.246 2.977 419 HA LEU 56 HA LEU 56 1.742 -7.377 2.966 420 HB2 LEU 56 2HB LEU 56 3.714 -8.974 1.278 421 HB3 LEU 56 3HB LEU 56 1.977 -8.850 1.041 422 HG LEU 56 HG LEU 56 4.058 -6.685 0.561 423 HD11 LEU 56 1HD1 LEU 56 3.292 -6.777 -1.761 424 HD12 LEU 56 2HD1 LEU 56 2.180 -8.086 -1.351 425 HD13 LEU 56 3HD1 LEU 56 3.925 -8.329 -1.216 426 HD21 LEU 56 3HD2 LEU 56 1.041 -6.401 0.392 427 HD22 LEU 56 1HD2 LEU 56 2.219 -5.211 -0.177 428 HD23 LEU 56 2HD2 LEU 56 2.114 -5.594 1.538 429 H GLN 57 H GLN 57 0.650 -9.118 3.812 430 HA GLN 57 HA GLN 57 2.152 -10.974 5.533 431 HB2 GLN 57 2HB GLN 57 -0.758 -10.122 5.407 432 HB3 GLN 57 3HB GLN 57 -0.278 -11.538 6.326 433 HG2 GLN 57 2HG GLN 57 0.774 -8.735 6.788 434 HG3 GLN 57 3HG GLN 57 -0.516 -9.501 7.716 435 HE21 GLN 57 1HE2 GLN 57 2.043 -8.519 8.664 436 HE22 GLN 57 2HE2 GLN 57 2.833 -9.861 9.412 437 H GLY 58 H GLY 58 1.214 -13.219 5.723 438 HA2 GLY 58 2HA GLY 58 1.572 -14.687 3.366 439 HA3 GLY 58 3HA GLY 58 0.867 -15.307 4.856 440 H SER 59 H SER 59 0.125 -16.010 2.178 441 HA SER 59 HA SER 59 -1.600 -16.391 0.807 442 HB2 SER 59 2HB SER 59 -3.357 -15.001 2.868 443 HB3 SER 59 3HB SER 59 -3.940 -15.980 1.522 444 HG SER 59 HG SER 59 -2.087 -17.317 2.991 445 H CYS 60 H CYS 60 -0.189 -13.581 1.173 446 HA CYS 60 HA CYS 60 -1.491 -12.363 -1.176 447 HB2 CYS 60 2HB CYS 60 -0.543 -10.817 1.275 448 HB3 CYS 60 3HB CYS 60 -1.177 -10.106 -0.209 449 HG CYS 60 HG CYS 60 -3.514 -12.055 0.535 450 H THR 61 H THR 61 1.362 -12.690 0.899 451 HA THR 61 HA THR 61 3.184 -11.805 -1.235 452 HB THR 61 HB THR 61 3.516 -10.906 1.071 453 HG1 THR 61 HG1 THR 61 5.622 -12.542 0.068 454 HG21 THR 61 3HG2 THR 61 2.840 -12.887 2.394 455 HG22 THR 61 1HG2 THR 61 4.446 -12.323 2.858 456 HG23 THR 61 2HG2 THR 61 4.273 -13.749 1.834 457 H SER 62 H SER 62 1.651 -14.604 -0.613 458 HA SER 62 HA SER 62 3.792 -16.514 -0.495 459 HB2 SER 62 2HB SER 62 0.840 -16.923 -1.135 460 HB3 SER 62 3HB SER 62 1.998 -18.195 -0.731 461 HG SER 62 HG SER 62 1.585 -17.789 1.272 462 H CYS 63 H CYS 63 1.714 -15.195 -3.050 463 HA CYS 63 HA CYS 63 3.195 -16.689 -5.128 464 HB2 CYS 63 2HB CYS 63 0.490 -15.299 -5.270 465 HB3 CYS 63 3HB CYS 63 1.259 -16.171 -6.599 466 HG CYS 63 HG CYS 63 1.219 -18.642 -5.171 467 HA PRO 64 HA PRO 64 5.354 -12.738 -5.932 468 HB2 PRO 64 2HB PRO 64 5.966 -14.147 -8.532 469 HB3 PRO 64 3HB PRO 64 7.073 -13.335 -7.403 470 HG2 PRO 64 2HG PRO 64 7.002 -15.978 -7.464 471 HG3 PRO 64 3HG PRO 64 7.084 -15.126 -5.902 472 HD2 PRO 64 2HD PRO 64 4.688 -16.398 -7.223 473 HD3 PRO 64 3HD PRO 64 5.196 -16.452 -5.520 474 H SER 65 H SER 65 3.221 -14.270 -8.334 475 HA SER 65 HA SER 65 2.689 -12.079 -10.008 476 HB2 SER 65 2HB SER 65 0.782 -14.335 -9.228 477 HB3 SER 65 3HB SER 65 0.654 -13.309 -10.660 478 HG SER 65 HG SER 65 2.815 -14.151 -11.190 479 H SER 66 H SER 66 1.081 -13.168 -7.038 480 HA SER 66 HA SER 66 -0.959 -11.206 -6.944 481 HB2 SER 66 2HB SER 66 0.237 -12.867 -4.684 482 HB3 SER 66 3HB SER 66 -1.315 -12.026 -4.646 483 HG SER 66 HG SER 66 -2.163 -13.485 -5.977 484 H ILE 67 H ILE 67 2.358 -11.333 -5.639 485 HA ILE 67 HA ILE 67 2.327 -9.067 -3.971 486 HB ILE 67 HB ILE 67 4.606 -10.249 -5.617 487 HG12 ILE 67 2HG1 ILE 67 3.901 -10.616 -2.665 488 HG13 ILE 67 3HG1 ILE 67 3.655 -11.810 -3.934 489 HG21 ILE 67 1HG2 ILE 67 5.162 -7.930 -5.064 490 HG22 ILE 67 2HG2 ILE 67 6.167 -9.029 -4.124 491 HG23 ILE 67 3HG2 ILE 67 4.797 -8.217 -3.360 492 HD11 ILE 67 3HD1 ILE 67 5.589 -12.365 -2.603 493 HD12 ILE 67 1HD1 ILE 67 6.318 -10.793 -2.927 494 HD13 ILE 67 2HD1 ILE 67 6.102 -11.956 -4.240 495 H ILE 68 H ILE 68 3.244 -9.367 -7.413 496 HA ILE 68 HA ILE 68 3.877 -6.675 -7.922 497 HB ILE 68 HB ILE 68 2.835 -8.802 -9.847 498 HG12 ILE 68 2HG1 ILE 68 5.708 -7.930 -9.262 499 HG13 ILE 68 3HG1 ILE 68 4.958 -9.410 -8.673 500 HG21 ILE 68 1HG2 ILE 68 2.531 -6.579 -10.846 501 HG22 ILE 68 2HG2 ILE 68 3.828 -7.437 -11.672 502 HG23 ILE 68 3HG2 ILE 68 4.215 -6.166 -10.510 503 HD11 ILE 68 3HD1 ILE 68 4.727 -10.194 -11.003 504 HD12 ILE 68 1HD1 ILE 68 6.400 -9.880 -10.543 505 HD13 ILE 68 2HD1 ILE 68 5.537 -8.725 -11.557 506 H THR 69 H THR 69 0.848 -8.468 -8.505 507 HA THR 69 HA THR 69 -0.661 -6.420 -9.681 508 HB THR 69 HB THR 69 -1.679 -8.795 -8.054 509 HG1 THR 69 HG1 THR 69 -1.078 -9.967 -9.683 510 HG21 THR 69 3HG2 THR 69 -3.467 -7.144 -8.529 511 HG22 THR 69 1HG2 THR 69 -3.710 -8.628 -9.450 512 HG23 THR 69 2HG2 THR 69 -3.060 -7.193 -10.246 513 H LEU 70 H LEU 70 -0.452 -7.486 -6.288 514 HA LEU 70 HA LEU 70 -2.394 -5.763 -5.199 515 HB2 LEU 70 2HB LEU 70 -1.551 -7.786 -4.049 516 HB3 LEU 70 3HB LEU 70 0.024 -7.035 -3.865 517 HG LEU 70 HG LEU 70 -0.937 -5.339 -2.336 518 HD11 LEU 70 1HD1 LEU 70 -3.190 -5.183 -3.244 519 HD12 LEU 70 2HD1 LEU 70 -3.243 -5.516 -1.518 520 HD13 LEU 70 3HD1 LEU 70 -3.564 -6.812 -2.673 521 HD21 LEU 70 3HD2 LEU 70 -0.033 -7.398 -1.366 522 HD22 LEU 70 1HD2 LEU 70 -1.611 -8.180 -1.501 523 HD23 LEU 70 2HD2 LEU 70 -1.391 -6.803 -0.416 524 H LYS 71 H LYS 71 1.156 -5.518 -5.275 525 HA LYS 71 HA LYS 71 1.484 -3.057 -4.012 526 HB2 LYS 71 2HB LYS 71 3.311 -4.611 -4.281 527 HB3 LYS 71 3HB LYS 71 3.196 -4.552 -6.026 528 HG2 LYS 71 2HG LYS 71 3.874 -2.016 -4.567 529 HG3 LYS 71 3HG LYS 71 5.108 -3.269 -4.668 530 HD2 LYS 71 2HD LYS 71 3.712 -1.946 -7.040 531 HD3 LYS 71 3HD LYS 71 5.352 -1.605 -6.485 532 HE2 LYS 71 2HE LYS 71 5.993 -3.946 -7.012 533 HE3 LYS 71 3HE LYS 71 4.357 -4.256 -7.595 534 HZ1 LYS 71 3HZ LYS 71 5.804 -3.800 -9.416 535 HZ2 LYS 71 1HZ LYS 71 6.302 -2.339 -8.738 536 HZ3 LYS 71 2HZ LYS 71 4.710 -2.526 -9.269 537 H ASN 72 H ASN 72 0.968 -3.780 -7.446 538 HA ASN 72 HA ASN 72 1.257 -1.134 -8.448 539 HB2 ASN 72 2HB ASN 72 -0.025 -3.648 -9.559 540 HB3 ASN 72 3HB ASN 72 -0.144 -2.126 -10.430 541 HD21 ASN 72 1HD2 ASN 72 0.972 -3.065 -12.166 542 HD22 ASN 72 2HD2 ASN 72 2.681 -3.312 -12.122 543 H GLY 73 H GLY 73 -1.540 -2.976 -7.286 544 HA2 GLY 73 2HA GLY 73 -3.598 -1.162 -7.967 545 HA3 GLY 73 3HA GLY 73 -3.668 -2.388 -6.707 546 H ILE 74 H ILE 74 -1.777 -1.641 -4.952 547 HA ILE 74 HA ILE 74 -2.882 0.403 -3.380 548 HB ILE 74 HB ILE 74 -0.005 -0.637 -3.275 549 HG12 ILE 74 2HG1 ILE 74 -2.406 -1.717 -1.726 550 HG13 ILE 74 3HG1 ILE 74 -1.726 -2.485 -3.150 551 HG21 ILE 74 1HG2 ILE 74 -0.320 1.406 -1.952 552 HG22 ILE 74 2HG2 ILE 74 -0.070 0.029 -0.888 553 HG23 ILE 74 3HG2 ILE 74 -1.692 0.683 -1.109 554 HD11 ILE 74 3HD1 ILE 74 -0.966 -3.590 -1.147 555 HD12 ILE 74 1HD1 ILE 74 -0.319 -2.078 -0.512 556 HD13 ILE 74 2HD1 ILE 74 0.397 -2.813 -1.949 557 H GLN 75 H GLN 75 -0.129 0.320 -5.579 558 HA GLN 75 HA GLN 75 0.971 2.842 -5.138 559 HB2 GLN 75 2HB GLN 75 2.128 1.030 -6.348 560 HB3 GLN 75 3HB GLN 75 0.983 1.165 -7.681 561 HG2 GLN 75 2HG GLN 75 1.786 3.454 -8.130 562 HG3 GLN 75 3HG GLN 75 2.930 3.314 -6.799 563 HE21 GLN 75 1HE2 GLN 75 3.692 0.552 -7.425 564 HE22 GLN 75 2HE2 GLN 75 4.664 0.651 -8.847 565 H ASN 76 H ASN 76 -1.276 1.829 -7.745 566 HA ASN 76 HA ASN 76 -1.494 4.416 -8.899 567 HB2 ASN 76 2HB ASN 76 -3.142 1.889 -9.276 568 HB3 ASN 76 3HB ASN 76 -3.466 3.374 -10.166 569 HD21 ASN 76 1HD2 ASN 76 -0.207 2.133 -9.370 570 HD22 ASN 76 2HD2 ASN 76 0.244 1.835 -11.004 571 H MET 77 H MET 77 -3.285 2.772 -6.367 572 HA MET 77 HA MET 77 -5.501 4.578 -6.244 573 HB2 MET 77 2HB MET 77 -5.462 2.271 -5.237 574 HB3 MET 77 3HB MET 77 -4.331 2.846 -4.019 575 HG2 MET 77 2HG MET 77 -7.093 4.028 -4.381 576 HG3 MET 77 3HG MET 77 -6.764 2.671 -3.310 577 HE1 MET 77 3HE MET 77 -4.420 4.292 -0.639 578 HE2 MET 77 1HE MET 77 -3.967 3.371 -2.073 579 HE3 MET 77 2HE MET 77 -5.332 2.851 -1.082 580 H LEU 78 H LEU 78 -2.491 4.327 -4.299 581 HA LEU 78 HA LEU 78 -2.801 6.699 -2.803 582 HB2 LEU 78 2HB LEU 78 -0.379 5.021 -3.511 583 HB3 LEU 78 3HB LEU 78 -0.240 6.452 -2.507 584 HG LEU 78 HG LEU 78 -1.942 4.031 -1.810 585 HD11 LEU 78 1HD1 LEU 78 0.422 3.436 -1.759 586 HD12 LEU 78 2HD1 LEU 78 -0.252 3.493 -0.132 587 HD13 LEU 78 3HD1 LEU 78 0.765 4.818 -0.710 588 HD21 LEU 78 3HD2 LEU 78 -2.804 6.098 -0.813 589 HD22 LEU 78 1HD2 LEU 78 -1.211 6.463 -0.140 590 HD23 LEU 78 2HD2 LEU 78 -2.114 5.053 0.423 591 H GLN 79 H GLN 79 -1.565 6.149 -6.037 592 HA GLN 79 HA GLN 79 -0.338 8.738 -6.363 593 HB2 GLN 79 2HB GLN 79 -0.955 6.490 -8.301 594 HB3 GLN 79 3HB GLN 79 -0.259 8.021 -8.835 595 HG2 GLN 79 2HG GLN 79 1.684 7.663 -7.400 596 HG3 GLN 79 3HG GLN 79 0.979 6.178 -6.776 597 HE21 GLN 79 1HE2 GLN 79 3.540 6.643 -8.167 598 HE22 GLN 79 2HE2 GLN 79 3.522 5.589 -9.537 599 H PHE 80 H PHE 80 -3.479 7.297 -6.992 600 HA PHE 80 HA PHE 80 -4.570 9.286 -8.686 601 HB2 PHE 80 2HB PHE 80 -5.569 7.019 -8.380 602 HB3 PHE 80 3HB PHE 80 -5.994 7.433 -6.724 603 HD1 PHE 80 HD1 PHE 80 -6.636 8.414 -10.285 604 HD2 PHE 80 HD2 PHE 80 -8.102 8.498 -6.254 605 HE1 PHE 80 HE1 PHE 80 -8.786 9.305 -11.075 606 HE2 PHE 80 HE2 PHE 80 -10.242 9.390 -7.065 607 HZ PHE 80 HZ PHE 80 -10.590 9.795 -9.469 608 H TYR 81 H TYR 81 -4.479 8.892 -5.174 609 HA TYR 81 HA TYR 81 -5.955 11.342 -4.633 610 HB2 TYR 81 2HB TYR 81 -4.678 9.245 -2.841 611 HB3 TYR 81 3HB TYR 81 -5.428 10.701 -2.199 612 HD1 TYR 81 HD2 TYR 81 -6.096 7.449 -3.861 613 HD2 TYR 81 HD1 TYR 81 -7.853 10.940 -2.155 614 HE1 TYR 81 HE2 TYR 81 -8.270 6.324 -3.827 615 HE2 TYR 81 HE1 TYR 81 -10.035 9.818 -2.102 616 HH TYR 81 HH TYR 81 -11.190 7.979 -3.283 617 H ILE 82 H ILE 82 -2.563 10.280 -4.698 618 HA ILE 82 HA ILE 82 -1.655 12.927 -3.700 619 HB ILE 82 HB ILE 82 -0.270 10.317 -2.928 620 HG12 ILE 82 2HG1 ILE 82 -2.151 11.879 -1.093 621 HG13 ILE 82 3HG1 ILE 82 -2.629 10.425 -1.962 622 HG21 ILE 82 1HG2 ILE 82 1.144 12.308 -2.829 623 HG22 ILE 82 2HG2 ILE 82 0.836 11.715 -1.200 624 HG23 ILE 82 3HG2 ILE 82 -0.027 13.134 -1.803 625 HD11 ILE 82 3HD1 ILE 82 -2.067 9.922 0.328 626 HD12 ILE 82 1HD1 ILE 82 -0.456 10.607 0.117 627 HD13 ILE 82 2HD1 ILE 82 -0.920 9.149 -0.765 628 HA PRO 83 HA PRO 83 0.868 12.294 -7.501 629 HB2 PRO 83 2HB PRO 83 1.796 14.832 -7.791 630 HB3 PRO 83 3HB PRO 83 0.095 14.430 -8.113 631 HG2 PRO 83 2HG PRO 83 1.292 15.683 -5.646 632 HG3 PRO 83 3HG PRO 83 -0.175 16.144 -6.544 633 HD2 PRO 83 2HD PRO 83 -0.251 14.610 -4.261 634 HD3 PRO 83 3HD PRO 83 -1.475 14.502 -5.543 635 H GLU 84 H GLU 84 1.860 12.873 -4.348 636 HA GLU 84 HA GLU 84 4.699 13.257 -4.756 637 HB2 GLU 84 2HB GLU 84 3.226 12.538 -2.184 638 HB3 GLU 84 3HB GLU 84 4.853 13.209 -2.321 639 HG2 GLU 84 2HG GLU 84 2.291 14.634 -3.127 640 HG3 GLU 84 3HG GLU 84 3.166 14.887 -1.617 641 H VAL 85 H VAL 85 2.526 10.569 -4.377 642 HA VAL 85 HA VAL 85 4.481 8.589 -3.626 643 HB VAL 85 HB VAL 85 1.681 8.264 -4.806 644 HG11 VAL 85 1HG1 VAL 85 3.026 6.227 -5.198 645 HG12 VAL 85 2HG1 VAL 85 1.778 5.921 -3.993 646 HG13 VAL 85 3HG1 VAL 85 3.452 6.159 -3.484 647 HG21 VAL 85 3HG2 VAL 85 0.975 7.765 -2.482 648 HG22 VAL 85 1HG2 VAL 85 1.641 9.393 -2.608 649 HG23 VAL 85 2HG2 VAL 85 2.608 8.095 -1.904 650 H GLU 86 H GLU 86 6.137 8.457 -5.034 651 HA GLU 86 HA GLU 86 5.889 8.385 -7.904 652 HB2 GLU 86 2HB GLU 86 8.274 7.540 -6.199 653 HB3 GLU 86 3HB GLU 86 8.300 7.972 -7.911 654 HG2 GLU 86 2HG GLU 86 7.727 9.837 -5.576 655 HG3 GLU 86 3HG GLU 86 9.208 9.779 -6.532 656 H GLY 87 H GLY 87 5.891 6.062 -5.273 657 HA2 GLY 87 2HA GLY 87 4.680 4.027 -6.784 658 HA3 GLY 87 3HA GLY 87 6.400 3.679 -6.683 659 H VAL 88 H VAL 88 5.311 1.757 -5.670 660 HA VAL 88 HA VAL 88 5.424 1.996 -2.720 661 HB VAL 88 HB VAL 88 3.478 0.244 -4.319 662 HG11 VAL 88 1HG1 VAL 88 3.913 0.238 -1.300 663 HG12 VAL 88 2HG1 VAL 88 4.347 -1.064 -2.408 664 HG13 VAL 88 3HG1 VAL 88 2.649 -0.655 -2.157 665 HG21 VAL 88 3HG2 VAL 88 2.897 2.436 -2.287 666 HG22 VAL 88 1HG2 VAL 88 1.690 1.450 -3.112 667 HG23 VAL 88 2HG2 VAL 88 2.695 2.569 -4.032 668 H GLU 89 H GLU 89 6.844 0.487 -1.813 669 HA GLU 89 HA GLU 89 7.889 -1.690 -3.537 670 HB2 GLU 89 2HB GLU 89 9.613 0.072 -3.140 671 HB3 GLU 89 3HB GLU 89 9.453 -0.161 -1.400 672 HG2 GLU 89 2HG GLU 89 10.285 -2.449 -1.600 673 HG3 GLU 89 3HG GLU 89 10.329 -2.309 -3.356 674 H GLN 90 H GLN 90 8.136 -3.694 -2.618 675 HA GLN 90 HA GLN 90 6.705 -4.233 -0.140 676 HB2 GLN 90 2HB GLN 90 6.390 -5.756 -2.077 677 HB3 GLN 90 3HB GLN 90 8.112 -6.136 -2.070 678 HG2 GLN 90 2HG GLN 90 7.812 -7.032 0.284 679 HG3 GLN 90 3HG GLN 90 6.074 -6.821 0.076 680 HE21 GLN 90 1HE2 GLN 90 5.715 -9.037 0.344 681 HE22 GLN 90 2HE2 GLN 90 6.131 -10.196 -0.864 682 H VAL 91 H VAL 91 7.818 -3.915 1.689 683 HA VAL 91 HA VAL 91 10.493 -5.150 2.008 684 HB VAL 91 HB VAL 91 10.513 -3.921 4.252 685 HG11 VAL 91 1HG1 VAL 91 11.182 -1.733 3.274 686 HG12 VAL 91 2HG1 VAL 91 10.407 -2.180 1.752 687 HG13 VAL 91 3HG1 VAL 91 11.812 -3.082 2.322 688 HG21 VAL 91 3HG2 VAL 91 9.019 -1.961 4.532 689 HG22 VAL 91 1HG2 VAL 91 8.098 -3.467 4.473 690 HG23 VAL 91 2HG2 VAL 91 8.154 -2.410 3.060 691 H MET 92 H MET 92 10.714 -6.629 3.854 692 HA MET 92 HA MET 92 8.171 -7.844 4.759 693 HB2 MET 92 2HB MET 92 10.404 -9.323 3.300 694 HB3 MET 92 3HB MET 92 9.092 -10.123 4.160 695 HG2 MET 92 2HG MET 92 7.462 -9.106 2.616 696 HG3 MET 92 3HG MET 92 8.778 -8.299 1.762 697 HE1 MET 92 3HE MET 92 8.150 -12.881 1.792 698 HE2 MET 92 1HE MET 92 7.016 -11.742 2.517 699 HE3 MET 92 2HE MET 92 8.610 -11.983 3.237 700 H ASP 93 H ASP 93 8.423 -7.522 6.923 701 HA ASP 93 HA ASP 93 10.815 -8.384 8.346 702 HB2 ASP 93 2HB ASP 93 8.101 -7.373 9.270 703 HB3 ASP 93 3HB ASP 93 9.242 -8.076 10.410 704 H ASP 94 H ASP 94 10.896 -10.429 7.370 705 HA ASP 94 HA ASP 94 9.339 -12.523 8.760 706 HB2 ASP 94 2HB ASP 94 9.998 -12.525 5.764 707 HB3 ASP 94 3HB ASP 94 9.296 -13.878 6.651 708 H GLU 95 H GLU 95 10.512 -14.613 8.747 709 HA GLU 95 HA GLU 95 13.214 -14.154 9.624 710 HB2 GLU 95 2HB GLU 95 11.887 -16.874 9.273 711 HB3 GLU 95 3HB GLU 95 13.170 -16.436 10.396 712 HG2 GLU 95 2HG GLU 95 10.259 -15.547 10.545 713 HG3 GLU 95 3HG GLU 95 11.032 -16.762 11.559 714 H SER 96 H SER 96 11.811 -16.244 7.116 715 HA SER 96 HA SER 96 13.541 -15.494 5.025 716 HB2 SER 96 2HB SER 96 15.203 -16.888 6.322 717 HB3 SER 96 3HB SER 96 14.132 -18.277 6.172 718 HG SER 96 HG SER 96 14.835 -18.571 4.218 719 H ASP 97 H ASP 97 13.229 -17.163 3.122 720 HA ASP 97 HA ASP 97 10.449 -17.624 2.729 721 HB2 ASP 97 2HB ASP 97 11.083 -18.621 0.572 722 HB3 ASP 97 3HB ASP 97 11.916 -17.099 0.837 Start of MODEL 12 1 H1 MET 1 1H MET 1 -13.364 28.873 34.889 2 H2 MET 1 2H MET 1 -14.162 27.420 34.549 3 H3 MET 1 3H MET 1 -14.766 28.874 33.947 4 HA MET 1 HA MET 1 -12.892 29.183 32.557 5 HB2 MET 1 2HB MET 1 -11.101 27.520 32.375 6 HB3 MET 1 3HB MET 1 -11.213 28.099 34.025 7 HG2 MET 1 2HG MET 1 -12.393 26.006 34.660 8 HG3 MET 1 3HG MET 1 -12.210 25.423 33.001 9 HE1 MET 1 3HE MET 1 -9.553 23.201 34.849 10 HE2 MET 1 1HE MET 1 -10.830 23.194 33.633 11 HE3 MET 1 2HE MET 1 -11.206 23.604 35.309 12 H GLY 2 H GLY 2 -12.863 28.359 30.431 13 HA2 GLY 2 2HA GLY 2 -14.508 25.989 29.796 14 HA3 GLY 2 3HA GLY 2 -14.935 27.547 29.091 15 H HIS 3 H HIS 3 -12.804 24.850 28.961 16 HA HIS 3 HA HIS 3 -10.780 26.058 27.348 17 HB2 HIS 3 2HB HIS 3 -9.931 23.741 26.990 18 HB3 HIS 3 3HB HIS 3 -10.159 24.147 28.681 19 HD1 HIS 3 HD1 HIS 3 -12.088 22.900 29.954 20 HD2 HIS 3 HD2 HIS 3 -11.415 21.550 26.082 21 HE1 HIS 3 HE1 HIS 3 -13.282 20.705 29.782 22 HE2 HIS 3 HE2 HIS 3 -13.069 20.051 27.365 23 H HIS 4 H HIS 4 -11.548 27.000 25.571 24 HA HIS 4 HA HIS 4 -13.108 25.588 23.547 25 HB2 HIS 4 2HB HIS 4 -11.819 28.353 23.637 26 HB3 HIS 4 3HB HIS 4 -12.642 27.734 22.212 27 HD1 HIS 4 HD1 HIS 4 -15.182 27.725 22.209 28 HD2 HIS 4 HD2 HIS 4 -13.541 29.053 25.788 29 HE1 HIS 4 HE1 HIS 4 -17.081 28.764 23.478 30 HE2 HIS 4 HE2 HIS 4 -16.044 29.654 25.584 31 H HIS 5 H HIS 5 -12.118 25.957 21.215 32 HA HIS 5 HA HIS 5 -9.689 24.458 20.959 33 HB2 HIS 5 2HB HIS 5 -11.300 26.020 18.879 34 HB3 HIS 5 3HB HIS 5 -9.937 24.969 18.494 35 HD1 HIS 5 HD1 HIS 5 -10.460 22.547 18.142 36 HD2 HIS 5 HD2 HIS 5 -13.569 24.543 20.039 37 HE1 HIS 5 HE1 HIS 5 -12.341 20.900 18.282 38 HE2 HIS 5 HE2 HIS 5 -14.234 22.160 19.333 39 H HIS 6 H HIS 6 -7.692 25.254 20.148 40 HA HIS 6 HA HIS 6 -6.936 27.630 21.604 41 HB2 HIS 6 2HB HIS 6 -5.201 25.620 20.100 42 HB3 HIS 6 3HB HIS 6 -4.625 26.821 21.257 43 HD1 HIS 6 HD1 HIS 6 -5.411 23.365 21.115 44 HD2 HIS 6 HD2 HIS 6 -6.059 26.361 23.923 45 HE1 HIS 6 HE1 HIS 6 -5.900 22.177 23.265 46 HE2 HIS 6 HE2 HIS 6 -6.487 24.008 24.884 47 H HIS 7 H HIS 7 -8.115 27.420 18.599 48 HA HIS 7 HA HIS 7 -8.342 28.874 16.928 49 HB2 HIS 7 2HB HIS 7 -6.847 30.878 18.672 50 HB3 HIS 7 3HB HIS 7 -7.906 31.256 17.321 51 HD1 HIS 7 HD1 HIS 7 -10.524 30.415 17.728 52 HD2 HIS 7 HD2 HIS 7 -8.133 30.904 21.089 53 HE1 HIS 7 HE1 HIS 7 -12.111 30.612 19.665 54 HE2 HIS 7 HE2 HIS 7 -10.641 31.034 21.652 55 H HIS 8 H HIS 8 -6.713 27.223 16.030 56 HA HIS 8 HA HIS 8 -4.544 28.716 14.700 57 HB2 HIS 8 2HB HIS 8 -4.168 26.085 16.217 58 HB3 HIS 8 3HB HIS 8 -3.034 26.639 14.992 59 HD1 HIS 8 HD1 HIS 8 -3.702 26.861 18.552 60 HD2 HIS 8 HD2 HIS 8 -1.809 29.233 15.717 61 HE1 HIS 8 HE1 HIS 8 -2.289 28.477 19.855 62 HE2 HIS 8 HE2 HIS 8 -1.301 30.004 18.121 63 H SER 9 H SER 9 -6.041 28.723 12.965 64 HA SER 9 HA SER 9 -6.229 26.172 11.460 65 HB2 SER 9 2HB SER 9 -8.343 28.373 11.594 66 HB3 SER 9 3HB SER 9 -8.416 26.934 10.570 67 HG SER 9 HG SER 9 -8.508 25.670 12.407 68 H HIS 10 H HIS 10 -4.627 26.468 10.043 69 HA HIS 10 HA HIS 10 -5.083 28.302 7.860 70 HB2 HIS 10 2HB HIS 10 -2.814 29.301 7.850 71 HB3 HIS 10 3HB HIS 10 -3.659 29.719 9.334 72 HD1 HIS 10 HD1 HIS 10 -0.615 28.015 8.061 73 HD2 HIS 10 HD2 HIS 10 -2.596 28.422 11.699 74 HE1 HIS 10 HE1 HIS 10 1.022 27.280 9.816 75 HE2 HIS 10 HE2 HIS 10 -0.248 27.398 11.976 76 H MET 11 H MET 11 -4.188 27.495 5.943 77 HA MET 11 HA MET 11 -3.641 24.693 5.884 78 HB2 MET 11 2HB MET 11 -3.522 26.814 3.700 79 HB3 MET 11 3HB MET 11 -3.257 25.097 3.402 80 HG2 MET 11 2HG MET 11 -5.807 26.327 4.485 81 HG3 MET 11 3HG MET 11 -5.549 25.748 2.836 82 HE1 MET 11 3HE MET 11 -7.781 24.240 3.062 83 HE2 MET 11 1HE MET 11 -8.023 24.770 4.728 84 HE3 MET 11 2HE MET 11 -8.024 23.049 4.340 85 H GLY 12 H GLY 12 -1.768 23.935 6.643 86 HA2 GLY 12 2HA GLY 12 0.728 25.297 6.640 87 HA3 GLY 12 3HA GLY 12 0.473 23.595 6.990 88 H SER 13 H SER 13 2.729 24.299 5.684 89 HA SER 13 HA SER 13 2.536 24.136 2.823 90 HB2 SER 13 2HB SER 13 4.952 23.556 4.601 91 HB3 SER 13 3HB SER 13 4.979 23.971 2.882 92 HG SER 13 HG SER 13 3.774 25.952 3.761 93 H GLU 14 H GLU 14 3.016 22.336 1.525 94 HA GLU 14 HA GLU 14 1.967 19.830 2.375 95 HB2 GLU 14 2HB GLU 14 2.838 19.152 -0.048 96 HB3 GLU 14 3HB GLU 14 1.463 20.213 0.159 97 HG2 GLU 14 2HG GLU 14 2.892 21.015 -1.632 98 HG3 GLU 14 3HG GLU 14 2.840 22.175 -0.317 99 H GLU 15 H GLU 15 5.121 21.044 2.681 100 HA GLU 15 HA GLU 15 6.689 18.681 2.675 101 HB2 GLU 15 2HB GLU 15 8.303 19.981 3.985 102 HB3 GLU 15 3HB GLU 15 7.622 20.991 2.711 103 HG2 GLU 15 2HG GLU 15 6.099 22.047 4.336 104 HG3 GLU 15 3HG GLU 15 6.745 21.039 5.623 105 H ASP 16 H ASP 16 4.180 19.612 4.762 106 HA ASP 16 HA ASP 16 4.983 18.516 7.261 107 HB2 ASP 16 2HB ASP 16 3.240 20.237 7.077 108 HB3 ASP 16 3HB ASP 16 2.262 19.207 6.041 109 H ASP 17 H ASP 17 3.685 16.729 8.320 110 HA ASP 17 HA ASP 17 4.077 14.219 7.067 111 HB2 ASP 17 2HB ASP 17 4.155 14.708 9.565 112 HB3 ASP 17 3HB ASP 17 2.407 14.833 9.550 113 H GLY 18 H GLY 18 1.497 16.421 6.633 114 HA2 GLY 18 2HA GLY 18 -0.855 15.060 6.524 115 HA3 GLY 18 3HA GLY 18 -0.430 16.331 5.400 116 H VAL 19 H VAL 19 1.639 14.910 3.983 117 HA VAL 19 HA VAL 19 0.315 13.300 2.108 118 HB VAL 19 HB VAL 19 3.285 13.244 2.851 119 HG11 VAL 19 1HG1 VAL 19 1.915 12.389 0.269 120 HG12 VAL 19 2HG1 VAL 19 2.667 11.312 1.447 121 HG13 VAL 19 3HG1 VAL 19 3.662 12.449 0.538 122 HG21 VAL 19 3HG2 VAL 19 1.852 14.960 0.795 123 HG22 VAL 19 1HG2 VAL 19 3.600 14.893 1.045 124 HG23 VAL 19 2HG2 VAL 19 2.551 15.526 2.316 125 H VAL 20 H VAL 20 2.534 12.340 4.711 126 HA VAL 20 HA VAL 20 2.345 9.538 4.487 127 HB VAL 20 HB VAL 20 3.100 11.250 6.911 128 HG11 VAL 20 1HG1 VAL 20 3.838 8.355 6.352 129 HG12 VAL 20 2HG1 VAL 20 2.647 8.883 7.530 130 HG13 VAL 20 3HG1 VAL 20 4.341 9.311 7.747 131 HG21 VAL 20 3HG2 VAL 20 5.442 10.999 6.152 132 HG22 VAL 20 1HG2 VAL 20 4.460 11.788 4.913 133 HG23 VAL 20 2HG2 VAL 20 4.897 10.085 4.741 134 H ALA 21 H ALA 21 0.389 11.897 6.151 135 HA ALA 21 HA ALA 21 -0.806 10.222 8.124 136 HB1 ALA 21 3HB ALA 21 -2.245 12.165 8.578 137 HB2 ALA 21 1HB ALA 21 -1.662 12.951 7.106 138 HB3 ALA 21 2HB ALA 21 -0.551 12.651 8.444 139 H MET 22 H MET 22 -1.859 11.571 4.992 140 HA MET 22 HA MET 22 -4.410 10.258 5.063 141 HB2 MET 22 2HB MET 22 -4.766 11.078 2.803 142 HB3 MET 22 3HB MET 22 -4.126 12.361 3.815 143 HG2 MET 22 2HG MET 22 -1.925 12.093 2.790 144 HG3 MET 22 3HG MET 22 -2.536 10.777 1.786 145 HE1 MET 22 3HE MET 22 -5.122 12.726 -0.505 146 HE2 MET 22 1HE MET 22 -5.508 11.948 1.031 147 HE3 MET 22 2HE MET 22 -4.437 11.148 -0.121 148 H ILE 23 H ILE 23 -1.191 9.322 3.913 149 HA ILE 23 HA ILE 23 -1.953 7.104 2.319 150 HB ILE 23 HB ILE 23 0.590 7.439 3.998 151 HG12 ILE 23 2HG1 ILE 23 0.168 7.844 0.999 152 HG13 ILE 23 3HG1 ILE 23 0.308 9.142 2.172 153 HG21 ILE 23 1HG2 ILE 23 1.579 5.642 2.578 154 HG22 ILE 23 2HG2 ILE 23 0.005 5.395 1.820 155 HG23 ILE 23 3HG2 ILE 23 0.219 5.049 3.536 156 HD11 ILE 23 3HD1 ILE 23 2.373 8.884 0.961 157 HD12 ILE 23 1HD1 ILE 23 2.474 7.179 1.409 158 HD13 ILE 23 2HD1 ILE 23 2.626 8.432 2.646 159 H LYS 24 H LYS 24 -1.157 7.315 5.824 160 HA LYS 24 HA LYS 24 -1.588 4.744 6.722 161 HB2 LYS 24 2HB LYS 24 -2.521 7.268 8.153 162 HB3 LYS 24 3HB LYS 24 -2.186 5.716 8.915 163 HG2 LYS 24 2HG LYS 24 0.169 5.944 8.567 164 HG3 LYS 24 3HG LYS 24 -0.060 7.301 7.457 165 HD2 LYS 24 2HD LYS 24 -1.091 8.579 9.445 166 HD3 LYS 24 3HD LYS 24 -0.494 7.273 10.475 167 HE2 LYS 24 2HE LYS 24 1.800 7.777 9.823 168 HE3 LYS 24 3HE LYS 24 1.239 8.986 8.669 169 HZ1 LYS 24 3HZ LYS 24 0.960 9.124 11.618 170 HZ2 LYS 24 1HZ LYS 24 0.365 10.273 10.530 171 HZ3 LYS 24 2HZ LYS 24 2.025 10.027 10.664 172 H GLU 25 H GLU 25 -4.008 7.268 6.152 173 HA GLU 25 HA GLU 25 -6.287 5.904 7.150 174 HB2 GLU 25 2HB GLU 25 -6.083 8.368 7.012 175 HB3 GLU 25 3HB GLU 25 -6.059 8.273 5.254 176 HG2 GLU 25 2HG GLU 25 -8.365 7.268 5.343 177 HG3 GLU 25 3HG GLU 25 -8.379 7.566 7.078 178 H LEU 26 H LEU 26 -5.200 6.641 3.821 179 HA LEU 26 HA LEU 26 -7.305 5.510 2.377 180 HB2 LEU 26 2HB LEU 26 -4.380 5.909 1.618 181 HB3 LEU 26 3HB LEU 26 -5.608 5.423 0.462 182 HG LEU 26 HG LEU 26 -5.688 8.061 1.985 183 HD11 LEU 26 1HD1 LEU 26 -3.707 8.007 0.553 184 HD12 LEU 26 2HD1 LEU 26 -4.909 9.125 -0.087 185 HD13 LEU 26 3HD1 LEU 26 -4.695 7.539 -0.836 186 HD21 LEU 26 3HD2 LEU 26 -7.262 7.106 -0.427 187 HD22 LEU 26 1HD2 LEU 26 -7.339 8.718 0.289 188 HD23 LEU 26 2HD2 LEU 26 -7.886 7.321 1.210 189 H LEU 27 H LEU 27 -4.292 4.065 3.559 190 HA LEU 27 HA LEU 27 -4.594 1.488 2.425 191 HB2 LEU 27 2HB LEU 27 -3.142 2.360 4.949 192 HB3 LEU 27 3HB LEU 27 -2.987 0.767 4.219 193 HG LEU 27 HG LEU 27 -2.163 3.372 2.871 194 HD11 LEU 27 1HD1 LEU 27 -0.738 2.894 4.790 195 HD12 LEU 27 2HD1 LEU 27 0.137 2.669 3.278 196 HD13 LEU 27 3HD1 LEU 27 -0.437 1.264 4.182 197 HD21 LEU 27 3HD2 LEU 27 -1.076 1.934 1.210 198 HD22 LEU 27 1HD2 LEU 27 -2.813 1.647 1.254 199 HD23 LEU 27 2HD2 LEU 27 -1.710 0.497 2.016 200 H ASP 28 H ASP 28 -5.395 2.736 5.704 201 HA ASP 28 HA ASP 28 -6.116 0.212 6.765 202 HB2 ASP 28 2HB ASP 28 -5.330 2.159 8.147 203 HB3 ASP 28 3HB ASP 28 -6.879 2.954 7.863 204 H THR 29 H THR 29 -8.014 2.753 5.277 205 HA THR 29 HA THR 29 -10.561 1.581 6.032 206 HB THR 29 HB THR 29 -11.539 3.506 4.742 207 HG1 THR 29 HG1 THR 29 -9.163 4.864 4.526 208 HG21 THR 29 3HG2 THR 29 -10.804 5.285 6.282 209 HG22 THR 29 1HG2 THR 29 -9.400 4.316 6.747 210 HG23 THR 29 2HG2 THR 29 -11.028 3.767 7.157 211 H ARG 30 H ARG 30 -8.650 2.009 3.022 212 HA ARG 30 HA ARG 30 -10.739 0.655 1.448 213 HB2 ARG 30 2HB ARG 30 -8.178 1.947 0.435 214 HB3 ARG 30 3HB ARG 30 -9.547 1.403 -0.532 215 HG2 ARG 30 2HG ARG 30 -10.932 3.176 0.703 216 HG3 ARG 30 3HG ARG 30 -9.400 3.804 1.320 217 HD2 ARG 30 2HD ARG 30 -10.048 5.065 -0.666 218 HD3 ARG 30 3HD ARG 30 -8.620 4.096 -1.040 219 HE ARG 30 HE ARG 30 -10.815 2.560 -1.734 220 HH11 ARG 30 1HH1 ARG 30 -9.466 5.615 -2.818 221 HH12 ARG 30 2HH1 ARG 30 -10.087 5.443 -4.420 222 HH21 ARG 30 1HH2 ARG 30 -11.632 2.362 -3.815 223 HH22 ARG 30 2HH2 ARG 30 -11.316 3.597 -4.991 224 H ILE 31 H ILE 31 -7.182 0.355 1.982 225 HA ILE 31 HA ILE 31 -7.034 -1.829 0.079 226 HB ILE 31 HB ILE 31 -4.865 -0.557 1.787 227 HG12 ILE 31 2HG1 ILE 31 -5.833 1.031 0.158 228 HG13 ILE 31 3HG1 ILE 31 -4.176 0.631 -0.267 229 HG21 ILE 31 1HG2 ILE 31 -4.202 -2.829 1.156 230 HG22 ILE 31 2HG2 ILE 31 -3.235 -1.646 0.274 231 HG23 ILE 31 3HG2 ILE 31 -4.559 -2.487 -0.539 232 HD11 ILE 31 3HD1 ILE 31 -5.576 0.791 -2.228 233 HD12 ILE 31 1HD1 ILE 31 -6.664 -0.449 -1.608 234 HD13 ILE 31 2HD1 ILE 31 -5.000 -0.864 -2.040 235 H ARG 32 H ARG 32 -6.095 -1.491 3.553 236 HA ARG 32 HA ARG 32 -5.230 -3.994 4.103 237 HB2 ARG 32 2HB ARG 32 -6.749 -2.200 6.027 238 HB3 ARG 32 3HB ARG 32 -5.932 -3.684 6.518 239 HG2 ARG 32 2HG ARG 32 -3.790 -2.658 5.629 240 HG3 ARG 32 3HG ARG 32 -4.675 -1.136 5.463 241 HD2 ARG 32 2HD ARG 32 -3.496 -1.095 7.567 242 HD3 ARG 32 3HD ARG 32 -5.218 -1.273 7.922 243 HE ARG 32 HE ARG 32 -3.488 -3.666 7.828 244 HH11 ARG 32 1HH1 ARG 32 -5.487 -1.517 9.805 245 HH12 ARG 32 2HH1 ARG 32 -5.503 -2.597 11.147 246 HH21 ARG 32 1HH2 ARG 32 -3.554 -5.056 9.592 247 HH22 ARG 32 2HH2 ARG 32 -4.400 -4.615 11.030 248 HA PRO 33 HA PRO 33 -9.791 -5.518 5.461 249 HB2 PRO 33 2HB PRO 33 -11.466 -3.847 3.574 250 HB3 PRO 33 3HB PRO 33 -11.820 -4.381 5.233 251 HG2 PRO 33 2HG PRO 33 -11.149 -1.851 4.795 252 HG3 PRO 33 3HG PRO 33 -10.506 -2.717 6.211 253 HD2 PRO 33 2HD PRO 33 -9.131 -2.116 3.596 254 HD3 PRO 33 3HD PRO 33 -8.508 -1.989 5.254 255 H THR 34 H THR 34 -9.365 -4.381 2.110 256 HA THR 34 HA THR 34 -10.548 -6.519 0.728 257 HB THR 34 HB THR 34 -8.338 -4.618 -0.178 258 HG1 THR 34 HG1 THR 34 -10.632 -3.873 -1.173 259 HG21 THR 34 3HG2 THR 34 -10.314 -6.199 -1.876 260 HG22 THR 34 1HG2 THR 34 -8.579 -6.523 -1.755 261 HG23 THR 34 2HG2 THR 34 -9.148 -5.017 -2.473 262 H VAL 35 H VAL 35 -7.124 -5.926 1.553 263 HA VAL 35 HA VAL 35 -6.085 -8.306 0.372 264 HB VAL 35 HB VAL 35 -4.740 -6.715 2.605 265 HG11 VAL 35 1HG1 VAL 35 -3.613 -8.830 1.999 266 HG12 VAL 35 2HG1 VAL 35 -2.635 -7.444 1.520 267 HG13 VAL 35 3HG1 VAL 35 -3.560 -8.333 0.306 268 HG21 VAL 35 3HG2 VAL 35 -4.709 -6.096 -0.369 269 HG22 VAL 35 1HG2 VAL 35 -3.728 -5.286 0.858 270 HG23 VAL 35 2HG2 VAL 35 -5.486 -5.129 0.884 271 H GLN 36 H GLN 36 -7.297 -7.488 3.575 272 HA GLN 36 HA GLN 36 -6.482 -9.832 4.968 273 HB2 GLN 36 2HB GLN 36 -8.646 -7.768 5.562 274 HB3 GLN 36 3HB GLN 36 -8.314 -9.121 6.643 275 HG2 GLN 36 2HG GLN 36 -6.064 -8.320 7.068 276 HG3 GLN 36 3HG GLN 36 -6.219 -7.076 5.830 277 HE21 GLN 36 1HE2 GLN 36 -5.779 -5.381 7.301 278 HE22 GLN 36 2HE2 GLN 36 -6.923 -4.887 8.495 279 H GLU 37 H GLU 37 -9.296 -9.062 2.947 280 HA GLU 37 HA GLU 37 -10.763 -11.447 3.519 281 HB2 GLU 37 2HB GLU 37 -10.865 -9.635 1.069 282 HB3 GLU 37 3HB GLU 37 -12.011 -10.932 1.405 283 HG2 GLU 37 2HG GLU 37 -11.594 -8.418 3.043 284 HG3 GLU 37 3HG GLU 37 -12.969 -8.782 2.010 285 H ASP 38 H ASP 38 -8.195 -10.638 1.264 286 HA ASP 38 HA ASP 38 -8.211 -13.145 -0.173 287 HB2 ASP 38 2HB ASP 38 -7.373 -11.033 -1.190 288 HB3 ASP 38 3HB ASP 38 -6.087 -10.954 0.008 289 H GLY 39 H GLY 39 -6.846 -11.967 2.805 290 HA2 GLY 39 2HA GLY 39 -6.387 -13.709 4.471 291 HA3 GLY 39 3HA GLY 39 -5.481 -14.574 3.237 292 H GLY 40 H GLY 40 -4.502 -11.725 2.391 293 HA2 GLY 40 2HA GLY 40 -2.119 -11.661 4.112 294 HA3 GLY 40 3HA GLY 40 -2.387 -10.765 2.619 295 H ASP 41 H ASP 41 -1.479 -8.959 3.828 296 HA ASP 41 HA ASP 41 -3.449 -7.098 4.573 297 HB2 ASP 41 2HB ASP 41 -3.371 -8.342 6.761 298 HB3 ASP 41 3HB ASP 41 -1.650 -7.993 6.882 299 H VAL 42 H VAL 42 -2.466 -4.960 5.013 300 HA VAL 42 HA VAL 42 0.343 -4.736 4.111 301 HB VAL 42 HB VAL 42 -0.149 -2.678 2.891 302 HG11 VAL 42 1HG1 VAL 42 -1.486 -3.577 1.018 303 HG12 VAL 42 2HG1 VAL 42 -2.071 -4.881 2.052 304 HG13 VAL 42 3HG1 VAL 42 -0.359 -4.783 1.639 305 HG21 VAL 42 3HG2 VAL 42 -2.433 -1.826 2.497 306 HG22 VAL 42 1HG2 VAL 42 -2.015 -1.765 4.211 307 HG23 VAL 42 2HG2 VAL 42 -3.080 -3.037 3.612 308 H ILE 43 H ILE 43 1.522 -4.078 5.759 309 HA ILE 43 HA ILE 43 0.356 -2.359 7.879 310 HB ILE 43 HB ILE 43 2.863 -4.104 8.078 311 HG12 ILE 43 2HG1 ILE 43 1.400 -5.411 9.808 312 HG13 ILE 43 3HG1 ILE 43 0.021 -4.637 9.039 313 HG21 ILE 43 1HG2 ILE 43 1.418 -2.533 10.231 314 HG22 ILE 43 2HG2 ILE 43 2.995 -2.143 9.537 315 HG23 ILE 43 3HG2 ILE 43 2.794 -3.610 10.498 316 HD11 ILE 43 3HD1 ILE 43 2.009 -6.470 7.715 317 HD12 ILE 43 1HD1 ILE 43 0.630 -5.708 6.919 318 HD13 ILE 43 2HD1 ILE 43 0.368 -6.879 8.210 319 H TYR 44 H TYR 44 0.933 -0.279 7.701 320 HA TYR 44 HA TYR 44 2.748 0.632 5.713 321 HB2 TYR 44 2HB TYR 44 0.728 1.915 6.402 322 HB3 TYR 44 3HB TYR 44 1.441 2.196 7.987 323 HD1 TYR 44 HD2 TYR 44 2.708 2.536 4.453 324 HD2 TYR 44 HD1 TYR 44 2.082 4.487 8.206 325 HE1 TYR 44 HE2 TYR 44 3.682 4.592 3.554 326 HE2 TYR 44 HE1 TYR 44 3.053 6.531 7.295 327 HH TYR 44 HH TYR 44 4.612 7.166 5.478 328 H LYS 45 H LYS 45 4.887 0.456 5.889 329 HA LYS 45 HA LYS 45 6.207 0.374 8.516 330 HB2 LYS 45 2HB LYS 45 7.236 -0.340 5.734 331 HB3 LYS 45 3HB LYS 45 8.163 -0.517 7.219 332 HG2 LYS 45 2HG LYS 45 5.539 -1.976 6.784 333 HG3 LYS 45 3HG LYS 45 7.072 -2.623 6.216 334 HD2 LYS 45 2HD LYS 45 6.744 -3.699 8.283 335 HD3 LYS 45 3HD LYS 45 7.885 -2.416 8.670 336 HE2 LYS 45 2HE LYS 45 5.979 -1.066 9.575 337 HE3 LYS 45 3HE LYS 45 4.897 -2.411 9.209 338 HZ1 LYS 45 3HZ LYS 45 6.142 -3.789 10.738 339 HZ2 LYS 45 1HZ LYS 45 5.570 -2.403 11.524 340 HZ3 LYS 45 2HZ LYS 45 7.195 -2.516 11.077 341 H GLY 46 H GLY 46 6.337 2.141 5.404 342 HA2 GLY 46 2HA GLY 46 7.181 4.561 6.612 343 HA3 GLY 46 3HA GLY 46 8.594 3.737 5.967 344 H PHE 47 H PHE 47 8.429 5.974 4.927 345 HA PHE 47 HA PHE 47 7.738 5.698 2.168 346 HB2 PHE 47 2HB PHE 47 5.525 6.448 2.940 347 HB3 PHE 47 3HB PHE 47 6.241 7.750 3.881 348 HD1 PHE 47 HD2 PHE 47 6.000 6.521 0.333 349 HD2 PHE 47 HD1 PHE 47 6.308 9.917 2.920 350 HE1 PHE 47 HE2 PHE 47 5.726 8.019 -1.595 351 HE2 PHE 47 HE1 PHE 47 6.038 11.406 0.981 352 HZ PHE 47 HZ PHE 47 5.754 10.459 -1.279 353 H GLU 48 H GLU 48 9.495 6.543 1.260 354 HA GLU 48 HA GLU 48 10.492 9.161 2.144 355 HB2 GLU 48 2HB GLU 48 12.849 8.448 1.934 356 HB3 GLU 48 3HB GLU 48 12.029 7.595 3.234 357 HG2 GLU 48 2HG GLU 48 12.511 6.392 0.487 358 HG3 GLU 48 3HG GLU 48 13.631 6.221 1.834 359 H ASP 49 H ASP 49 11.128 10.442 0.522 360 HA ASP 49 HA ASP 49 11.185 11.400 -1.505 361 HB2 ASP 49 2HB ASP 49 12.064 8.651 -2.471 362 HB3 ASP 49 3HB ASP 49 12.177 10.124 -3.431 363 H GLY 50 H GLY 50 10.101 8.221 -2.732 364 HA2 GLY 50 2HA GLY 50 7.357 9.202 -3.129 365 HA3 GLY 50 3HA GLY 50 8.292 8.802 -4.566 366 H ILE 51 H ILE 51 9.245 6.776 -2.058 367 HA ILE 51 HA ILE 51 7.645 4.569 -3.205 368 HB ILE 51 HB ILE 51 10.294 4.433 -1.697 369 HG12 ILE 51 2HG1 ILE 51 10.647 5.502 -3.869 370 HG13 ILE 51 3HG1 ILE 51 11.294 3.870 -3.938 371 HG21 ILE 51 1HG2 ILE 51 8.770 2.235 -3.149 372 HG22 ILE 51 2HG2 ILE 51 8.993 2.371 -1.403 373 HG23 ILE 51 3HG2 ILE 51 10.383 2.068 -2.447 374 HD11 ILE 51 3HD1 ILE 51 9.254 3.162 -5.171 375 HD12 ILE 51 1HD1 ILE 51 10.189 4.414 -5.990 376 HD13 ILE 51 2HD1 ILE 51 8.704 4.843 -5.147 377 H VAL 52 H VAL 52 6.044 3.905 -2.016 378 HA VAL 52 HA VAL 52 5.874 4.318 0.871 379 HB VAL 52 HB VAL 52 3.834 3.033 -1.022 380 HG11 VAL 52 1HG1 VAL 52 2.186 3.507 0.765 381 HG12 VAL 52 2HG1 VAL 52 3.474 4.154 1.785 382 HG13 VAL 52 3HG1 VAL 52 3.469 2.442 1.350 383 HG21 VAL 52 3HG2 VAL 52 2.684 5.207 -1.070 384 HG22 VAL 52 1HG2 VAL 52 4.324 5.362 -1.707 385 HG23 VAL 52 2HG2 VAL 52 3.953 5.919 -0.073 386 H GLN 53 H GLN 53 7.011 2.797 2.028 387 HA GLN 53 HA GLN 53 7.329 0.067 1.025 388 HB2 GLN 53 2HB GLN 53 8.541 1.518 3.414 389 HB3 GLN 53 3HB GLN 53 8.845 -0.182 3.047 390 HG2 GLN 53 2HG GLN 53 9.722 0.533 0.799 391 HG3 GLN 53 3HG GLN 53 9.565 2.211 1.323 392 HE21 GLN 53 1HE2 GLN 53 11.798 2.523 1.054 393 HE22 GLN 53 2HE2 GLN 53 12.955 1.885 2.165 394 H LEU 54 H LEU 54 5.935 -1.451 1.529 395 HA LEU 54 HA LEU 54 4.256 -1.282 3.967 396 HB2 LEU 54 2HB LEU 54 3.455 -2.281 1.197 397 HB3 LEU 54 3HB LEU 54 2.441 -2.372 2.635 398 HG LEU 54 HG LEU 54 3.365 0.202 1.285 399 HD11 LEU 54 1HD1 LEU 54 1.019 0.477 0.656 400 HD12 LEU 54 2HD1 LEU 54 0.634 -1.104 1.346 401 HD13 LEU 54 3HD1 LEU 54 1.710 -0.982 -0.050 402 HD21 LEU 54 3HD2 LEU 54 3.128 0.533 3.684 403 HD22 LEU 54 1HD2 LEU 54 1.524 -0.207 3.661 404 HD23 LEU 54 2HD2 LEU 54 1.807 1.325 2.829 405 H LYS 55 H LYS 55 3.873 -3.171 5.031 406 HA LYS 55 HA LYS 55 5.522 -5.485 4.396 407 HB2 LYS 55 2HB LYS 55 5.418 -4.609 6.724 408 HB3 LYS 55 3HB LYS 55 3.693 -4.953 6.764 409 HG2 LYS 55 2HG LYS 55 4.203 -7.385 6.489 410 HG3 LYS 55 3HG LYS 55 5.931 -6.996 6.527 411 HD2 LYS 55 2HD LYS 55 5.542 -5.949 8.809 412 HD3 LYS 55 3HD LYS 55 3.901 -6.600 8.762 413 HE2 LYS 55 2HE LYS 55 4.740 -8.867 8.758 414 HE3 LYS 55 3HE LYS 55 6.405 -8.307 8.555 415 HZ1 LYS 55 3HZ LYS 55 6.281 -7.253 10.721 416 HZ2 LYS 55 1HZ LYS 55 5.933 -8.904 10.854 417 HZ3 LYS 55 2HZ LYS 55 4.683 -7.768 10.916 418 H LEU 56 H LEU 56 4.637 -6.741 2.854 419 HA LEU 56 HA LEU 56 1.738 -7.182 2.723 420 HB2 LEU 56 2HB LEU 56 3.884 -8.343 0.904 421 HB3 LEU 56 3HB LEU 56 2.148 -8.337 0.623 422 HG LEU 56 HG LEU 56 4.074 -5.988 0.473 423 HD11 LEU 56 1HD1 LEU 56 2.235 -7.212 -1.600 424 HD12 LEU 56 2HD1 LEU 56 3.995 -7.368 -1.521 425 HD13 LEU 56 3HD1 LEU 56 3.265 -5.794 -1.834 426 HD21 LEU 56 3HD2 LEU 56 2.115 -5.113 1.600 427 HD22 LEU 56 1HD2 LEU 56 1.043 -5.832 0.394 428 HD23 LEU 56 2HD2 LEU 56 2.145 -4.529 -0.060 429 H GLN 57 H GLN 57 0.817 -8.965 3.580 430 HA GLN 57 HA GLN 57 2.503 -10.866 5.060 431 HB2 GLN 57 2HB GLN 57 -0.495 -10.359 5.135 432 HB3 GLN 57 3HB GLN 57 0.334 -11.552 6.126 433 HG2 GLN 57 2HG GLN 57 0.817 -8.566 6.223 434 HG3 GLN 57 3HG GLN 57 -0.218 -9.464 7.329 435 HE21 GLN 57 1HE2 GLN 57 0.885 -9.000 9.146 436 HE22 GLN 57 2HE2 GLN 57 2.494 -9.516 9.503 437 H GLY 58 H GLY 58 1.496 -13.166 5.211 438 HA2 GLY 58 2HA GLY 58 1.804 -14.481 2.736 439 HA3 GLY 58 3HA GLY 58 1.220 -15.211 4.223 440 H SER 59 H SER 59 0.200 -16.214 2.028 441 HA SER 59 HA SER 59 -1.586 -16.790 0.822 442 HB2 SER 59 2HB SER 59 -3.190 -14.692 2.336 443 HB3 SER 59 3HB SER 59 -3.858 -15.974 1.318 444 HG SER 59 HG SER 59 -2.351 -16.287 3.707 445 H CYS 60 H CYS 60 -1.431 -13.213 1.147 446 HA CYS 60 HA CYS 60 -2.141 -12.668 -1.568 447 HB2 CYS 60 2HB CYS 60 -2.416 -10.952 0.165 448 HB3 CYS 60 3HB CYS 60 -0.673 -10.912 0.439 449 HG CYS 60 HG CYS 60 -0.849 -10.400 -2.686 450 H THR 61 H THR 61 0.881 -13.229 0.130 451 HA THR 61 HA THR 61 2.517 -12.625 -2.218 452 HB THR 61 HB THR 61 4.411 -13.047 -0.592 453 HG1 THR 61 HG1 THR 61 3.865 -14.128 1.142 454 HG21 THR 61 3HG2 THR 61 3.515 -10.758 -0.923 455 HG22 THR 61 1HG2 THR 61 4.036 -11.006 0.745 456 HG23 THR 61 2HG2 THR 61 2.318 -11.043 0.345 457 H SER 62 H SER 62 0.673 -14.968 -2.151 458 HA SER 62 HA SER 62 2.082 -17.395 -1.868 459 HB2 SER 62 2HB SER 62 0.137 -18.308 -3.226 460 HB3 SER 62 3HB SER 62 -0.326 -17.380 -1.803 461 HG SER 62 HG SER 62 -1.263 -15.971 -3.037 462 H CYS 63 H CYS 63 1.624 -15.204 -4.608 463 HA CYS 63 HA CYS 63 3.750 -16.568 -6.104 464 HB2 CYS 63 2HB CYS 63 2.343 -16.322 -8.214 465 HB3 CYS 63 3HB CYS 63 1.734 -17.511 -7.070 466 HG CYS 63 HG CYS 63 -0.075 -15.470 -8.508 467 HA PRO 64 HA PRO 64 5.368 -12.401 -6.633 468 HB2 PRO 64 2HB PRO 64 6.111 -13.294 -9.426 469 HB3 PRO 64 3HB PRO 64 7.124 -12.550 -8.163 470 HG2 PRO 64 2HG PRO 64 7.342 -15.152 -8.627 471 HG3 PRO 64 3HG PRO 64 7.340 -14.543 -6.955 472 HD2 PRO 64 2HD PRO 64 5.091 -15.868 -8.473 473 HD3 PRO 64 3HD PRO 64 5.606 -16.103 -6.786 474 H SER 65 H SER 65 3.262 -13.720 -9.131 475 HA SER 65 HA SER 65 2.638 -11.380 -10.549 476 HB2 SER 65 2HB SER 65 0.495 -12.690 -11.123 477 HB3 SER 65 3HB SER 65 2.024 -13.475 -11.521 478 HG SER 65 HG SER 65 1.261 -15.061 -10.384 479 H SER 66 H SER 66 0.961 -12.903 -7.737 480 HA SER 66 HA SER 66 -1.026 -10.889 -7.434 481 HB2 SER 66 2HB SER 66 0.001 -12.940 -5.424 482 HB3 SER 66 3HB SER 66 -1.476 -11.985 -5.234 483 HG SER 66 HG SER 66 -1.369 -14.261 -6.339 484 H ILE 67 H ILE 67 2.213 -11.274 -6.042 485 HA ILE 67 HA ILE 67 2.174 -9.258 -4.081 486 HB ILE 67 HB ILE 67 4.559 -10.168 -5.771 487 HG12 ILE 67 2HG1 ILE 67 3.661 -11.189 -3.033 488 HG13 ILE 67 3HG1 ILE 67 3.379 -12.029 -4.552 489 HG21 ILE 67 1HG2 ILE 67 5.052 -8.047 -4.599 490 HG22 ILE 67 2HG2 ILE 67 5.984 -9.370 -3.899 491 HG23 ILE 67 3HG2 ILE 67 4.553 -8.762 -3.064 492 HD11 ILE 67 3HD1 ILE 67 5.245 -12.991 -3.363 493 HD12 ILE 67 1HD1 ILE 67 6.073 -11.434 -3.331 494 HD13 ILE 67 2HD1 ILE 67 5.797 -12.260 -4.869 495 H ILE 68 H ILE 68 3.253 -9.117 -7.482 496 HA ILE 68 HA ILE 68 3.911 -6.353 -7.508 497 HB ILE 68 HB ILE 68 3.421 -8.296 -9.810 498 HG12 ILE 68 2HG1 ILE 68 6.050 -7.241 -8.645 499 HG13 ILE 68 3HG1 ILE 68 5.373 -8.833 -8.313 500 HG21 ILE 68 1HG2 ILE 68 4.564 -6.666 -11.288 501 HG22 ILE 68 2HG2 ILE 68 4.617 -5.504 -9.960 502 HG23 ILE 68 3HG2 ILE 68 3.064 -6.004 -10.632 503 HD11 ILE 68 3HD1 ILE 68 7.141 -8.985 -9.948 504 HD12 ILE 68 1HD1 ILE 68 6.323 -7.827 -10.998 505 HD13 ILE 68 2HD1 ILE 68 5.600 -9.408 -10.690 506 H THR 69 H THR 69 0.971 -8.145 -8.466 507 HA THR 69 HA THR 69 -0.437 -5.973 -9.616 508 HB THR 69 HB THR 69 -1.484 -8.561 -8.395 509 HG1 THR 69 HG1 THR 69 -0.489 -7.807 -10.903 510 HG21 THR 69 3HG2 THR 69 -3.522 -8.184 -9.781 511 HG22 THR 69 1HG2 THR 69 -2.925 -6.585 -10.214 512 HG23 THR 69 2HG2 THR 69 -3.345 -6.947 -8.535 513 H LEU 70 H LEU 70 -0.290 -7.227 -6.241 514 HA LEU 70 HA LEU 70 -2.204 -5.393 -5.194 515 HB2 LEU 70 2HB LEU 70 -1.536 -7.448 -3.963 516 HB3 LEU 70 3HB LEU 70 0.078 -6.786 -3.734 517 HG LEU 70 HG LEU 70 -0.923 -4.887 -2.409 518 HD11 LEU 70 1HD1 LEU 70 -3.236 -5.028 -1.620 519 HD12 LEU 70 2HD1 LEU 70 -3.517 -6.434 -2.650 520 HD13 LEU 70 3HD1 LEU 70 -3.159 -4.861 -3.371 521 HD21 LEU 70 3HD2 LEU 70 -0.011 -6.842 -1.248 522 HD22 LEU 70 1HD2 LEU 70 -1.598 -7.614 -1.297 523 HD23 LEU 70 2HD2 LEU 70 -1.364 -6.128 -0.374 524 H LYS 71 H LYS 71 1.332 -5.388 -5.386 525 HA LYS 71 HA LYS 71 1.930 -2.978 -4.121 526 HB2 LYS 71 2HB LYS 71 3.586 -4.702 -4.556 527 HB3 LYS 71 3HB LYS 71 3.378 -4.551 -6.291 528 HG2 LYS 71 2HG LYS 71 4.326 -2.129 -4.790 529 HG3 LYS 71 3HG LYS 71 5.458 -3.468 -4.963 530 HD2 LYS 71 2HD LYS 71 4.074 -2.020 -7.269 531 HD3 LYS 71 3HD LYS 71 5.737 -1.748 -6.739 532 HE2 LYS 71 2HE LYS 71 6.298 -4.090 -7.318 533 HE3 LYS 71 3HE LYS 71 4.634 -4.357 -7.850 534 HZ1 LYS 71 3HZ LYS 71 4.945 -2.726 -9.585 535 HZ2 LYS 71 1HZ LYS 71 6.161 -3.895 -9.687 536 HZ3 LYS 71 2HZ LYS 71 6.503 -2.375 -9.036 537 H ASN 72 H ASN 72 0.914 -3.611 -7.435 538 HA ASN 72 HA ASN 72 1.257 -0.885 -8.360 539 HB2 ASN 72 2HB ASN 72 0.139 -3.401 -9.648 540 HB3 ASN 72 3HB ASN 72 -0.079 -1.829 -10.414 541 HD21 ASN 72 1HD2 ASN 72 1.158 -2.459 -12.189 542 HD22 ASN 72 2HD2 ASN 72 2.878 -2.599 -12.109 543 H GLY 73 H GLY 73 -1.416 -2.896 -7.175 544 HA2 GLY 73 2HA GLY 73 -3.576 -1.231 -7.904 545 HA3 GLY 73 3HA GLY 73 -3.572 -2.405 -6.600 546 H ILE 74 H ILE 74 -1.830 -1.510 -4.844 547 HA ILE 74 HA ILE 74 -3.020 0.602 -3.423 548 HB ILE 74 HB ILE 74 -0.168 -0.465 -3.112 549 HG12 ILE 74 2HG1 ILE 74 -2.671 -1.486 -1.690 550 HG13 ILE 74 3HG1 ILE 74 -1.931 -2.291 -3.066 551 HG21 ILE 74 1HG2 ILE 74 -0.548 1.610 -1.876 552 HG22 ILE 74 2HG2 ILE 74 -0.426 0.261 -0.751 553 HG23 ILE 74 3HG2 ILE 74 -2.004 0.940 -1.138 554 HD11 ILE 74 3HD1 ILE 74 -1.274 -3.356 -1.010 555 HD12 ILE 74 1HD1 ILE 74 -0.638 -1.837 -0.381 556 HD13 ILE 74 2HD1 ILE 74 0.126 -2.609 -1.775 557 H GLN 75 H GLN 75 -0.135 0.393 -5.479 558 HA GLN 75 HA GLN 75 1.002 2.905 -5.232 559 HB2 GLN 75 2HB GLN 75 2.028 1.020 -6.422 560 HB3 GLN 75 3HB GLN 75 0.802 1.102 -7.675 561 HG2 GLN 75 2HG GLN 75 1.692 3.318 -8.358 562 HG3 GLN 75 3HG GLN 75 2.942 3.172 -7.121 563 HE21 GLN 75 1HE2 GLN 75 3.349 0.267 -7.575 564 HE22 GLN 75 2HE2 GLN 75 4.187 0.155 -9.080 565 H ASN 76 H ASN 76 -1.341 1.884 -7.763 566 HA ASN 76 HA ASN 76 -1.670 4.403 -8.944 567 HB2 ASN 76 2HB ASN 76 -3.388 1.897 -9.009 568 HB3 ASN 76 3HB ASN 76 -3.844 3.346 -9.897 569 HD21 ASN 76 1HD2 ASN 76 -2.060 0.475 -10.026 570 HD22 ASN 76 2HD2 ASN 76 -1.182 0.798 -11.477 571 H MET 77 H MET 77 -3.423 2.871 -6.250 572 HA MET 77 HA MET 77 -5.561 4.752 -6.079 573 HB2 MET 77 2HB MET 77 -5.566 2.464 -5.062 574 HB3 MET 77 3HB MET 77 -4.382 2.999 -3.886 575 HG2 MET 77 2HG MET 77 -7.098 4.319 -4.116 576 HG3 MET 77 3HG MET 77 -6.838 2.885 -3.127 577 HE1 MET 77 3HE MET 77 -4.281 4.220 -0.470 578 HE2 MET 77 1HE MET 77 -3.904 3.412 -1.990 579 HE3 MET 77 2HE MET 77 -5.243 2.839 -0.992 580 H LEU 78 H LEU 78 -2.483 4.466 -4.283 581 HA LEU 78 HA LEU 78 -2.691 6.842 -2.783 582 HB2 LEU 78 2HB LEU 78 -0.282 5.162 -3.577 583 HB3 LEU 78 3HB LEU 78 -0.150 6.561 -2.522 584 HG LEU 78 HG LEU 78 -1.837 4.105 -1.876 585 HD11 LEU 78 1HD1 LEU 78 0.536 3.514 -1.929 586 HD12 LEU 78 2HD1 LEU 78 -0.087 3.496 -0.280 587 HD13 LEU 78 3HD1 LEU 78 0.907 4.848 -0.832 588 HD21 LEU 78 3HD2 LEU 78 -2.650 6.132 -0.763 589 HD22 LEU 78 1HD2 LEU 78 -1.027 6.469 -0.145 590 HD23 LEU 78 2HD2 LEU 78 -1.908 5.039 0.403 591 H GLN 79 H GLN 79 -1.531 6.224 -6.059 592 HA GLN 79 HA GLN 79 -0.214 8.753 -6.442 593 HB2 GLN 79 2HB GLN 79 -1.083 6.597 -8.401 594 HB3 GLN 79 3HB GLN 79 -0.314 8.093 -8.927 595 HG2 GLN 79 2HG GLN 79 1.676 7.556 -7.601 596 HG3 GLN 79 3HG GLN 79 0.924 6.066 -7.041 597 HE21 GLN 79 1HE2 GLN 79 3.407 6.423 -8.515 598 HE22 GLN 79 2HE2 GLN 79 3.237 5.487 -9.956 599 H PHE 80 H PHE 80 -3.428 7.462 -7.051 600 HA PHE 80 HA PHE 80 -4.520 9.442 -8.706 601 HB2 PHE 80 2HB PHE 80 -5.594 7.249 -8.261 602 HB3 PHE 80 3HB PHE 80 -5.878 7.710 -6.591 603 HD1 PHE 80 HD1 PHE 80 -6.706 8.771 -10.103 604 HD2 PHE 80 HD2 PHE 80 -7.980 8.645 -6.010 605 HE1 PHE 80 HE1 PHE 80 -8.923 9.628 -10.754 606 HE2 PHE 80 HE2 PHE 80 -10.182 9.507 -6.676 607 HZ PHE 80 HZ PHE 80 -10.658 9.994 -9.043 608 H TYR 81 H TYR 81 -4.292 9.204 -5.181 609 HA TYR 81 HA TYR 81 -5.600 11.780 -4.733 610 HB2 TYR 81 2HB TYR 81 -4.391 9.742 -2.814 611 HB3 TYR 81 3HB TYR 81 -5.204 11.218 -2.306 612 HD1 TYR 81 HD1 TYR 81 -7.696 11.521 -2.998 613 HD2 TYR 81 HD2 TYR 81 -5.673 7.756 -3.189 614 HE1 TYR 81 HE1 TYR 81 -9.854 10.356 -2.996 615 HE2 TYR 81 HE2 TYR 81 -7.840 6.592 -3.192 616 HH TYR 81 HH TYR 81 -10.806 8.233 -3.656 617 H ILE 82 H ILE 82 -2.334 10.440 -4.783 618 HA ILE 82 HA ILE 82 -1.145 12.992 -3.817 619 HB ILE 82 HB ILE 82 -0.098 10.228 -3.057 620 HG12 ILE 82 2HG1 ILE 82 -1.633 12.083 -1.182 621 HG13 ILE 82 3HG1 ILE 82 -2.363 10.701 -1.995 622 HG21 ILE 82 1HG2 ILE 82 0.623 12.985 -2.004 623 HG22 ILE 82 2HG2 ILE 82 1.604 11.993 -3.083 624 HG23 ILE 82 3HG2 ILE 82 1.301 11.460 -1.430 625 HD11 ILE 82 3HD1 ILE 82 -0.739 9.223 -0.871 626 HD12 ILE 82 1HD1 ILE 82 -1.784 10.100 0.244 627 HD13 ILE 82 2HD1 ILE 82 -0.116 10.622 0.012 628 HA PRO 83 HA PRO 83 1.115 11.996 -7.742 629 HB2 PRO 83 2HB PRO 83 2.150 14.499 -8.184 630 HB3 PRO 83 3HB PRO 83 0.447 14.107 -8.517 631 HG2 PRO 83 2HG PRO 83 1.618 15.479 -6.109 632 HG3 PRO 83 3HG PRO 83 0.184 15.920 -7.065 633 HD2 PRO 83 2HD PRO 83 -0.003 14.568 -4.701 634 HD3 PRO 83 3HD PRO 83 -1.167 14.334 -6.024 635 H GLU 84 H GLU 84 2.237 12.654 -4.647 636 HA GLU 84 HA GLU 84 5.059 12.926 -5.181 637 HB2 GLU 84 2HB GLU 84 3.693 12.280 -2.532 638 HB3 GLU 84 3HB GLU 84 5.314 12.938 -2.762 639 HG2 GLU 84 2HG GLU 84 2.696 14.350 -3.398 640 HG3 GLU 84 3HG GLU 84 3.743 14.682 -2.022 641 H VAL 85 H VAL 85 2.825 10.306 -4.616 642 HA VAL 85 HA VAL 85 4.771 8.273 -4.024 643 HB VAL 85 HB VAL 85 1.884 8.030 -4.994 644 HG11 VAL 85 1HG1 VAL 85 3.646 5.874 -3.754 645 HG12 VAL 85 2HG1 VAL 85 3.121 5.937 -5.439 646 HG13 VAL 85 3HG1 VAL 85 1.932 5.704 -4.156 647 HG21 VAL 85 3HG2 VAL 85 2.995 7.883 -2.167 648 HG22 VAL 85 1HG2 VAL 85 1.309 7.628 -2.628 649 HG23 VAL 85 2HG2 VAL 85 2.049 9.215 -2.842 650 H GLU 86 H GLU 86 6.288 7.890 -5.558 651 HA GLU 86 HA GLU 86 5.681 7.686 -8.397 652 HB2 GLU 86 2HB GLU 86 8.252 7.025 -6.886 653 HB3 GLU 86 3HB GLU 86 8.070 7.026 -8.642 654 HG2 GLU 86 2HG GLU 86 7.451 9.492 -8.465 655 HG3 GLU 86 3HG GLU 86 7.947 9.419 -6.772 656 H GLY 87 H GLY 87 5.925 5.569 -5.620 657 HA2 GLY 87 2HA GLY 87 4.761 3.356 -6.941 658 HA3 GLY 87 3HA GLY 87 6.502 3.119 -6.823 659 H VAL 88 H VAL 88 5.360 1.268 -5.688 660 HA VAL 88 HA VAL 88 5.461 1.671 -2.752 661 HB VAL 88 HB VAL 88 3.524 -0.135 -4.318 662 HG11 VAL 88 1HG1 VAL 88 4.350 -1.402 -2.362 663 HG12 VAL 88 2HG1 VAL 88 2.650 -0.971 -2.160 664 HG13 VAL 88 3HG1 VAL 88 3.898 -0.066 -1.301 665 HG21 VAL 88 3HG2 VAL 88 2.964 2.118 -2.358 666 HG22 VAL 88 1HG2 VAL 88 1.736 1.130 -3.162 667 HG23 VAL 88 2HG2 VAL 88 2.773 2.203 -4.110 668 H GLU 89 H GLU 89 6.452 -0.178 -1.639 669 HA GLU 89 HA GLU 89 7.699 -2.291 -3.268 670 HB2 GLU 89 2HB GLU 89 9.374 -0.451 -3.111 671 HB3 GLU 89 3HB GLU 89 9.272 -0.498 -1.354 672 HG2 GLU 89 2HG GLU 89 10.201 -2.792 -1.353 673 HG3 GLU 89 3HG GLU 89 10.274 -2.773 -3.116 674 H GLN 90 H GLN 90 7.964 -4.239 -2.121 675 HA GLN 90 HA GLN 90 6.552 -4.472 0.415 676 HB2 GLN 90 2HB GLN 90 6.093 -6.194 -1.243 677 HB3 GLN 90 3HB GLN 90 7.809 -6.567 -1.402 678 HG2 GLN 90 2HG GLN 90 7.851 -7.400 0.933 679 HG3 GLN 90 3HG GLN 90 6.141 -7.012 1.103 680 HE21 GLN 90 1HE2 GLN 90 5.785 -9.198 1.685 681 HE22 GLN 90 2HE2 GLN 90 5.759 -10.448 0.497 682 H VAL 91 H VAL 91 7.459 -4.623 2.316 683 HA VAL 91 HA VAL 91 10.185 -5.659 2.725 684 HB VAL 91 HB VAL 91 10.343 -3.998 4.715 685 HG11 VAL 91 1HG1 VAL 91 10.438 -2.807 1.915 686 HG12 VAL 91 2HG1 VAL 91 11.737 -3.708 2.700 687 HG13 VAL 91 3HG1 VAL 91 11.236 -2.144 3.346 688 HG21 VAL 91 3HG2 VAL 91 9.043 -1.900 4.536 689 HG22 VAL 91 1HG2 VAL 91 7.981 -3.294 4.759 690 HG23 VAL 91 2HG2 VAL 91 8.154 -2.564 3.160 691 H MET 92 H MET 92 10.421 -6.545 4.939 692 HA MET 92 HA MET 92 7.999 -6.982 6.508 693 HB2 MET 92 2HB MET 92 8.485 -9.480 6.668 694 HB3 MET 92 3HB MET 92 7.828 -8.921 5.141 695 HG2 MET 92 2HG MET 92 10.123 -8.997 4.165 696 HG3 MET 92 3HG MET 92 10.716 -9.660 5.688 697 HE1 MET 92 3HE MET 92 7.748 -11.871 2.902 698 HE2 MET 92 1HE MET 92 8.424 -10.286 2.531 699 HE3 MET 92 2HE MET 92 7.264 -10.467 3.850 700 H ASP 93 H ASP 93 8.660 -6.034 8.339 701 HA ASP 93 HA ASP 93 11.224 -6.447 9.557 702 HB2 ASP 93 2HB ASP 93 10.277 -5.358 11.556 703 HB3 ASP 93 3HB ASP 93 9.954 -4.417 10.111 704 H ASP 94 H ASP 94 11.549 -8.641 9.532 705 HA ASP 94 HA ASP 94 10.182 -10.376 11.385 706 HB2 ASP 94 2HB ASP 94 8.549 -10.185 9.454 707 HB3 ASP 94 3HB ASP 94 9.784 -10.845 8.387 708 H GLU 95 H GLU 95 11.755 -10.978 8.191 709 HA GLU 95 HA GLU 95 14.026 -12.303 9.603 710 HB2 GLU 95 2HB GLU 95 12.595 -13.192 7.060 711 HB3 GLU 95 3HB GLU 95 14.115 -13.878 7.625 712 HG2 GLU 95 2HG GLU 95 11.436 -14.020 9.038 713 HG3 GLU 95 3HG GLU 95 12.261 -15.329 8.200 714 H SER 96 H SER 96 13.600 -9.526 8.288 715 HA SER 96 HA SER 96 16.297 -9.317 7.319 716 HB2 SER 96 2HB SER 96 15.242 -10.080 5.215 717 HB3 SER 96 3HB SER 96 14.053 -8.781 5.323 718 HG SER 96 HG SER 96 16.750 -8.040 5.415 719 H ASP 97 H ASP 97 13.216 -7.548 6.939 720 HA ASP 97 HA ASP 97 12.549 -5.436 7.258 721 HB2 ASP 97 2HB ASP 97 13.047 -5.812 9.656 722 HB3 ASP 97 3HB ASP 97 14.724 -5.337 9.396 Start of MODEL 13 1 H1 MET 1 1H MET 1 27.603 22.792 -6.752 2 H2 MET 1 2H MET 1 26.311 21.711 -6.786 3 H3 MET 1 3H MET 1 27.532 21.591 -7.942 4 HA MET 1 HA MET 1 27.734 19.880 -6.262 5 HB2 MET 1 2HB MET 1 29.942 21.986 -6.112 6 HB3 MET 1 3HB MET 1 30.113 20.298 -5.634 7 HG2 MET 1 2HG MET 1 31.099 20.584 -7.810 8 HG3 MET 1 3HG MET 1 29.622 19.633 -7.990 9 HE1 MET 1 3HE MET 1 29.432 21.577 -11.341 10 HE2 MET 1 1HE MET 1 29.298 20.010 -10.545 11 HE3 MET 1 2HE MET 1 30.854 20.842 -10.601 12 H GLY 2 H GLY 2 28.135 19.335 -4.046 13 HA2 GLY 2 2HA GLY 2 28.351 20.028 -1.720 14 HA3 GLY 2 3HA GLY 2 27.326 21.411 -2.068 15 H HIS 3 H HIS 3 27.380 17.886 -1.854 16 HA HIS 3 HA HIS 3 24.623 17.414 -2.103 17 HB2 HIS 3 2HB HIS 3 25.095 15.221 -0.944 18 HB3 HIS 3 3HB HIS 3 26.116 15.548 -2.336 19 HD1 HIS 3 HD1 HIS 3 28.608 15.510 -1.983 20 HD2 HIS 3 HD2 HIS 3 26.519 15.462 1.613 21 HE1 HIS 3 HE1 HIS 3 30.319 15.050 -0.209 22 HE2 HIS 3 HE2 HIS 3 29.009 14.869 1.925 23 H HIS 4 H HIS 4 22.949 17.581 -0.723 24 HA HIS 4 HA HIS 4 23.283 19.183 1.645 25 HB2 HIS 4 2HB HIS 4 20.722 17.922 0.575 26 HB3 HIS 4 3HB HIS 4 20.835 19.227 1.754 27 HD1 HIS 4 HD1 HIS 4 20.095 18.741 -1.662 28 HD2 HIS 4 HD2 HIS 4 22.316 21.584 0.404 29 HE1 HIS 4 HE1 HIS 4 20.268 20.714 -3.203 30 HE2 HIS 4 HE2 HIS 4 21.722 22.361 -1.988 31 H HIS 5 H HIS 5 24.555 17.768 2.902 32 HA HIS 5 HA HIS 5 23.017 16.089 4.692 33 HB2 HIS 5 2HB HIS 5 23.737 14.553 2.780 34 HB3 HIS 5 3HB HIS 5 25.407 14.834 3.253 35 HD1 HIS 5 HD1 HIS 5 26.269 13.573 5.315 36 HD2 HIS 5 HD2 HIS 5 22.236 12.950 4.598 37 HE1 HIS 5 HE1 HIS 5 25.593 11.722 6.866 38 HE2 HIS 5 HE2 HIS 5 23.116 11.492 6.525 39 H HIS 6 H HIS 6 25.069 18.512 4.353 40 HA HIS 6 HA HIS 6 27.095 17.899 6.324 41 HB2 HIS 6 2HB HIS 6 27.385 19.654 4.518 42 HB3 HIS 6 3HB HIS 6 26.211 20.659 5.353 43 HD1 HIS 6 HD1 HIS 6 29.615 20.653 4.891 44 HD2 HIS 6 HD2 HIS 6 27.338 20.779 8.362 45 HE1 HIS 6 HE1 HIS 6 31.107 21.660 6.640 46 HE2 HIS 6 HE2 HIS 6 29.620 21.929 8.645 47 H HIS 7 H HIS 7 24.253 20.090 6.264 48 HA HIS 7 HA HIS 7 23.111 18.995 8.619 49 HB2 HIS 7 2HB HIS 7 23.287 20.821 10.204 50 HB3 HIS 7 3HB HIS 7 24.924 20.428 9.690 51 HD1 HIS 7 HD1 HIS 7 22.497 23.179 9.905 52 HD2 HIS 7 HD2 HIS 7 26.058 22.443 7.898 53 HE1 HIS 7 HE1 HIS 7 23.300 25.415 9.114 54 HE2 HIS 7 HE2 HIS 7 25.472 24.954 7.936 55 H HIS 8 H HIS 8 20.947 19.542 8.736 56 HA HIS 8 HA HIS 8 19.756 21.240 6.742 57 HB2 HIS 8 2HB HIS 8 18.619 19.886 9.226 58 HB3 HIS 8 3HB HIS 8 17.639 20.859 8.132 59 HD1 HIS 8 HD1 HIS 8 19.002 17.480 8.565 60 HD2 HIS 8 HD2 HIS 8 17.387 19.726 5.468 61 HE1 HIS 8 HE1 HIS 8 18.418 15.824 6.773 62 HE2 HIS 8 HE2 HIS 8 17.569 17.218 4.862 63 H SER 9 H SER 9 19.353 23.396 6.877 64 HA SER 9 HA SER 9 20.379 25.081 8.876 65 HB2 SER 9 2HB SER 9 18.982 26.862 7.725 66 HB3 SER 9 3HB SER 9 19.986 25.914 6.626 67 HG SER 9 HG SER 9 17.886 26.102 5.790 68 H HIS 10 H HIS 10 17.233 23.635 8.445 69 HA HIS 10 HA HIS 10 16.468 24.290 11.221 70 HB2 HIS 10 2HB HIS 10 14.625 24.244 8.780 71 HB3 HIS 10 3HB HIS 10 14.073 24.380 10.444 72 HD1 HIS 10 HD1 HIS 10 14.025 26.701 11.450 73 HD2 HIS 10 HD2 HIS 10 16.031 26.597 7.816 74 HE1 HIS 10 HE1 HIS 10 14.410 29.099 10.816 75 HE2 HIS 10 HE2 HIS 10 15.766 28.999 8.711 76 H MET 11 H MET 11 16.215 22.428 12.332 77 HA MET 11 HA MET 11 16.641 19.891 11.083 78 HB2 MET 11 2HB MET 11 15.904 20.568 13.954 79 HB3 MET 11 3HB MET 11 16.433 18.986 13.400 80 HG2 MET 11 2HG MET 11 18.628 19.872 12.848 81 HG3 MET 11 3HG MET 11 18.105 21.504 13.262 82 HE1 MET 11 3HE MET 11 17.618 21.274 17.154 83 HE2 MET 11 1HE MET 11 16.385 21.144 15.899 84 HE3 MET 11 2HE MET 11 17.660 22.357 15.767 85 H GLY 12 H GLY 12 14.895 19.619 9.684 86 HA2 GLY 12 2HA GLY 12 12.445 18.516 10.945 87 HA3 GLY 12 3HA GLY 12 12.322 19.603 9.566 88 H SER 13 H SER 13 12.430 18.755 7.567 89 HA SER 13 HA SER 13 12.895 17.466 5.780 90 HB2 SER 13 2HB SER 13 15.206 17.216 6.658 91 HB3 SER 13 3HB SER 13 14.698 15.797 7.571 92 HG SER 13 HG SER 13 14.326 15.931 4.772 93 H GLU 14 H GLU 14 12.445 15.363 8.639 94 HA GLU 14 HA GLU 14 10.921 13.311 7.386 95 HB2 GLU 14 2HB GLU 14 10.308 12.705 9.745 96 HB3 GLU 14 3HB GLU 14 12.042 12.903 9.497 97 HG2 GLU 14 2HG GLU 14 11.993 15.118 10.522 98 HG3 GLU 14 3HG GLU 14 10.242 15.057 10.661 99 H GLU 15 H GLU 15 10.027 16.465 7.750 100 HA GLU 15 HA GLU 15 7.291 16.400 8.444 101 HB2 GLU 15 2HB GLU 15 7.242 18.634 7.327 102 HB3 GLU 15 3HB GLU 15 8.598 18.461 8.433 103 HG2 GLU 15 2HG GLU 15 10.008 17.854 6.359 104 HG3 GLU 15 3HG GLU 15 8.647 18.447 5.409 105 H ASP 16 H ASP 16 6.012 17.641 6.171 106 HA ASP 16 HA ASP 16 4.500 17.004 4.609 107 HB2 ASP 16 2HB ASP 16 6.632 15.040 3.636 108 HB3 ASP 16 3HB ASP 16 5.199 15.505 2.733 109 H ASP 17 H ASP 17 4.595 15.802 7.175 110 HA ASP 17 HA ASP 17 4.026 12.982 7.090 111 HB2 ASP 17 2HB ASP 17 3.665 13.200 9.508 112 HB3 ASP 17 3HB ASP 17 5.121 14.069 9.035 113 H GLY 18 H GLY 18 2.162 15.827 6.586 114 HA2 GLY 18 2HA GLY 18 -0.454 14.857 7.135 115 HA3 GLY 18 3HA GLY 18 -0.040 16.096 5.952 116 H VAL 19 H VAL 19 1.673 14.636 4.295 117 HA VAL 19 HA VAL 19 -0.005 13.114 2.604 118 HB VAL 19 HB VAL 19 3.043 13.155 2.762 119 HG11 VAL 19 1HG1 VAL 19 3.042 12.304 0.439 120 HG12 VAL 19 2HG1 VAL 19 1.286 12.132 0.505 121 HG13 VAL 19 3HG1 VAL 19 2.307 11.155 1.560 122 HG21 VAL 19 3HG2 VAL 19 2.111 15.388 2.324 123 HG22 VAL 19 1HG2 VAL 19 1.182 14.755 0.963 124 HG23 VAL 19 2HG2 VAL 19 2.946 14.775 0.895 125 H VAL 20 H VAL 20 2.509 12.122 4.951 126 HA VAL 20 HA VAL 20 2.371 9.344 4.698 127 HB VAL 20 HB VAL 20 3.055 11.099 7.098 128 HG11 VAL 20 1HG1 VAL 20 2.425 8.935 8.021 129 HG12 VAL 20 2HG1 VAL 20 4.173 9.130 8.127 130 HG13 VAL 20 3HG1 VAL 20 3.475 8.094 6.882 131 HG21 VAL 20 3HG2 VAL 20 4.848 9.629 5.121 132 HG22 VAL 20 1HG2 VAL 20 5.404 10.597 6.493 133 HG23 VAL 20 2HG2 VAL 20 4.546 11.368 5.160 134 H ALA 21 H ALA 21 0.444 11.520 6.740 135 HA ALA 21 HA ALA 21 -0.931 9.534 8.235 136 HB1 ALA 21 3HB ALA 21 -0.677 11.846 9.035 137 HB2 ALA 21 1HB ALA 21 -2.378 11.385 8.971 138 HB3 ALA 21 2HB ALA 21 -1.698 12.430 7.718 139 H MET 22 H MET 22 -1.810 11.388 5.292 140 HA MET 22 HA MET 22 -4.427 10.187 5.116 141 HB2 MET 22 2HB MET 22 -4.721 11.361 3.019 142 HB3 MET 22 3HB MET 22 -4.018 12.457 4.198 143 HG2 MET 22 2HG MET 22 -1.833 12.228 3.145 144 HG3 MET 22 3HG MET 22 -2.482 11.055 2.000 145 HE1 MET 22 3HE MET 22 -4.941 13.275 -0.117 146 HE2 MET 22 1HE MET 22 -5.343 12.322 1.309 147 HE3 MET 22 2HE MET 22 -4.251 11.664 0.088 148 H ILE 23 H ILE 23 -1.236 9.325 3.915 149 HA ILE 23 HA ILE 23 -2.047 7.265 2.113 150 HB ILE 23 HB ILE 23 0.526 7.561 3.752 151 HG12 ILE 23 2HG1 ILE 23 0.018 7.877 0.758 152 HG13 ILE 23 3HG1 ILE 23 0.210 9.201 1.895 153 HG21 ILE 23 1HG2 ILE 23 0.165 5.155 3.385 154 HG22 ILE 23 2HG2 ILE 23 1.508 5.728 2.399 155 HG23 ILE 23 3HG2 ILE 23 -0.066 5.434 1.658 156 HD11 ILE 23 3HD1 ILE 23 2.526 8.483 2.311 157 HD12 ILE 23 1HD1 ILE 23 2.225 8.879 0.621 158 HD13 ILE 23 2HD1 ILE 23 2.326 7.192 1.122 159 H LYS 24 H LYS 24 -1.330 7.325 5.617 160 HA LYS 24 HA LYS 24 -1.713 4.634 6.255 161 HB2 LYS 24 2HB LYS 24 -2.213 7.129 7.924 162 HB3 LYS 24 3HB LYS 24 -2.298 5.501 8.589 163 HG2 LYS 24 2HG LYS 24 0.065 5.129 8.030 164 HG3 LYS 24 3HG LYS 24 0.167 6.754 7.341 165 HD2 LYS 24 2HD LYS 24 -0.333 7.745 9.541 166 HD3 LYS 24 3HD LYS 24 -0.518 6.135 10.246 167 HE2 LYS 24 2HE LYS 24 1.857 5.661 9.779 168 HE3 LYS 24 3HE LYS 24 2.039 7.268 9.065 169 HZ1 LYS 24 3HZ LYS 24 1.324 6.690 11.892 170 HZ2 LYS 24 1HZ LYS 24 1.456 8.231 11.211 171 HZ3 LYS 24 2HZ LYS 24 2.816 7.244 11.330 172 H GLU 25 H GLU 25 -4.125 7.288 6.065 173 HA GLU 25 HA GLU 25 -6.289 5.698 7.039 174 HB2 GLU 25 2HB GLU 25 -7.720 7.519 6.664 175 HB3 GLU 25 3HB GLU 25 -6.178 8.299 6.969 176 HG2 GLU 25 2HG GLU 25 -5.882 8.613 4.527 177 HG3 GLU 25 3HG GLU 25 -7.445 7.842 4.252 178 H LEU 26 H LEU 26 -5.167 6.576 3.736 179 HA LEU 26 HA LEU 26 -7.296 5.373 2.303 180 HB2 LEU 26 2HB LEU 26 -4.442 6.031 1.492 181 HB3 LEU 26 3HB LEU 26 -5.627 5.410 0.354 182 HG LEU 26 HG LEU 26 -5.898 8.039 1.869 183 HD11 LEU 26 1HD1 LEU 26 -4.064 8.154 0.253 184 HD12 LEU 26 2HD1 LEU 26 -5.420 9.146 -0.269 185 HD13 LEU 26 3HD1 LEU 26 -5.126 7.583 -1.038 186 HD21 LEU 26 3HD2 LEU 26 -8.076 7.067 1.354 187 HD22 LEU 26 1HD2 LEU 26 -7.627 6.869 -0.343 188 HD23 LEU 26 2HD2 LEU 26 -7.790 8.484 0.351 189 H LEU 27 H LEU 27 -4.272 4.069 3.535 190 HA LEU 27 HA LEU 27 -4.457 1.490 2.329 191 HB2 LEU 27 2HB LEU 27 -3.021 2.402 4.850 192 HB3 LEU 27 3HB LEU 27 -2.827 0.811 4.125 193 HG LEU 27 HG LEU 27 -2.080 3.429 2.767 194 HD11 LEU 27 1HD1 LEU 27 -0.287 1.382 4.087 195 HD12 LEU 27 2HD1 LEU 27 -0.638 3.009 4.680 196 HD13 LEU 27 3HD1 LEU 27 0.244 2.794 3.171 197 HD21 LEU 27 3HD2 LEU 27 -0.970 2.034 1.092 198 HD22 LEU 27 1HD2 LEU 27 -2.697 1.689 1.157 199 HD23 LEU 27 2HD2 LEU 27 -1.548 0.573 1.899 200 H ASP 28 H ASP 28 -5.284 2.721 5.592 201 HA ASP 28 HA ASP 28 -6.000 0.168 6.609 202 HB2 ASP 28 2HB ASP 28 -5.215 2.226 7.944 203 HB3 ASP 28 3HB ASP 28 -6.861 2.830 7.816 204 H THR 29 H THR 29 -7.875 2.760 5.148 205 HA THR 29 HA THR 29 -10.445 1.684 5.959 206 HB THR 29 HB THR 29 -11.384 3.617 4.678 207 HG1 THR 29 HG1 THR 29 -9.107 4.970 4.212 208 HG21 THR 29 3HG2 THR 29 -10.473 5.411 6.095 209 HG22 THR 29 1HG2 THR 29 -9.087 4.401 6.512 210 HG23 THR 29 2HG2 THR 29 -10.709 3.941 7.040 211 H ARG 30 H ARG 30 -8.474 1.781 2.998 212 HA ARG 30 HA ARG 30 -10.652 0.491 1.448 213 HB2 ARG 30 2HB ARG 30 -8.157 1.944 0.456 214 HB3 ARG 30 3HB ARG 30 -9.436 1.282 -0.558 215 HG2 ARG 30 2HG ARG 30 -11.034 2.901 0.292 216 HG3 ARG 30 3HG ARG 30 -9.857 3.498 1.469 217 HD2 ARG 30 2HD ARG 30 -10.043 4.996 -0.475 218 HD3 ARG 30 3HD ARG 30 -8.422 4.317 -0.332 219 HE ARG 30 HE ARG 30 -9.281 2.641 -2.081 220 HH11 ARG 30 1HH1 ARG 30 -10.267 5.998 -1.959 221 HH12 ARG 30 2HH1 ARG 30 -10.573 6.101 -3.661 222 HH21 ARG 30 1HH2 ARG 30 -9.650 2.775 -4.314 223 HH22 ARG 30 2HH2 ARG 30 -10.221 4.263 -5.003 224 H ILE 31 H ILE 31 -7.090 0.332 1.916 225 HA ILE 31 HA ILE 31 -6.876 -1.841 0.021 226 HB ILE 31 HB ILE 31 -4.720 -0.583 1.771 227 HG12 ILE 31 2HG1 ILE 31 -5.701 1.053 0.199 228 HG13 ILE 31 3HG1 ILE 31 -4.047 0.675 -0.255 229 HG21 ILE 31 1HG2 ILE 31 -3.097 -1.618 0.223 230 HG22 ILE 31 2HG2 ILE 31 -4.415 -2.429 -0.626 231 HG23 ILE 31 3HG2 ILE 31 -4.064 -2.838 1.054 232 HD11 ILE 31 3HD1 ILE 31 -5.474 0.874 -2.198 233 HD12 ILE 31 1HD1 ILE 31 -6.542 -0.391 -1.596 234 HD13 ILE 31 2HD1 ILE 31 -4.880 -0.778 -2.057 235 H ARG 32 H ARG 32 -5.898 -1.514 3.489 236 HA ARG 32 HA ARG 32 -5.175 -4.073 4.043 237 HB2 ARG 32 2HB ARG 32 -6.613 -2.205 5.975 238 HB3 ARG 32 3HB ARG 32 -5.788 -3.685 6.452 239 HG2 ARG 32 2HG ARG 32 -3.664 -2.681 5.512 240 HG3 ARG 32 3HG ARG 32 -4.545 -1.160 5.325 241 HD2 ARG 32 2HD ARG 32 -3.293 -1.117 7.410 242 HD3 ARG 32 3HD ARG 32 -5.020 -1.181 7.777 243 HE ARG 32 HE ARG 32 -3.589 -3.727 7.713 244 HH11 ARG 32 1HH1 ARG 32 -4.834 -1.143 9.798 245 HH12 ARG 32 2HH1 ARG 32 -4.791 -2.134 11.223 246 HH21 ARG 32 1HH2 ARG 32 -3.581 -4.992 9.564 247 HH22 ARG 32 2HH2 ARG 32 -4.080 -4.322 11.090 248 HA PRO 33 HA PRO 33 -9.857 -5.324 5.295 249 HB2 PRO 33 2HB PRO 33 -11.268 -3.511 3.325 250 HB3 PRO 33 3HB PRO 33 -11.800 -4.082 4.922 251 HG2 PRO 33 2HG PRO 33 -10.937 -1.598 4.663 252 HG3 PRO 33 3HG PRO 33 -10.451 -2.563 6.081 253 HD2 PRO 33 2HD PRO 33 -8.860 -1.909 3.608 254 HD3 PRO 33 3HD PRO 33 -8.346 -1.950 5.310 255 H THR 34 H THR 34 -9.273 -4.172 1.953 256 HA THR 34 HA THR 34 -10.437 -6.300 0.539 257 HB THR 34 HB THR 34 -8.140 -4.456 -0.283 258 HG1 THR 34 HG1 THR 34 -10.923 -4.201 -0.229 259 HG21 THR 34 3HG2 THR 34 -8.241 -6.396 -1.811 260 HG22 THR 34 1HG2 THR 34 -8.790 -4.925 -2.620 261 HG23 THR 34 2HG2 THR 34 -9.965 -6.116 -2.062 262 H VAL 35 H VAL 35 -7.077 -5.809 1.619 263 HA VAL 35 HA VAL 35 -6.036 -8.215 0.487 264 HB VAL 35 HB VAL 35 -4.801 -6.544 2.726 265 HG11 VAL 35 1HG1 VAL 35 -2.643 -7.388 1.879 266 HG12 VAL 35 2HG1 VAL 35 -3.483 -8.367 0.676 267 HG13 VAL 35 3HG1 VAL 35 -3.686 -8.715 2.394 268 HG21 VAL 35 3HG2 VAL 35 -3.631 -5.264 0.982 269 HG22 VAL 35 1HG2 VAL 35 -5.378 -5.099 0.820 270 HG23 VAL 35 2HG2 VAL 35 -4.494 -6.160 -0.271 271 H GLN 36 H GLN 36 -7.485 -7.394 3.580 272 HA GLN 36 HA GLN 36 -6.657 -9.731 5.027 273 HB2 GLN 36 2HB GLN 36 -8.831 -7.660 5.555 274 HB3 GLN 36 3HB GLN 36 -8.538 -9.020 6.638 275 HG2 GLN 36 2HG GLN 36 -6.263 -8.241 7.081 276 HG3 GLN 36 3HG GLN 36 -6.447 -6.955 5.890 277 HE21 GLN 36 1HE2 GLN 36 -6.007 -5.331 7.394 278 HE22 GLN 36 2HE2 GLN 36 -7.126 -4.890 8.636 279 H GLU 37 H GLU 37 -9.583 -8.849 3.204 280 HA GLU 37 HA GLU 37 -10.972 -11.298 3.429 281 HB2 GLU 37 2HB GLU 37 -10.925 -9.262 1.148 282 HB3 GLU 37 3HB GLU 37 -12.082 -10.584 1.275 283 HG2 GLU 37 2HG GLU 37 -13.020 -9.636 3.321 284 HG3 GLU 37 3HG GLU 37 -11.804 -8.362 3.323 285 H ASP 38 H ASP 38 -8.501 -10.136 1.183 286 HA ASP 38 HA ASP 38 -8.392 -12.318 -0.611 287 HB2 ASP 38 2HB ASP 38 -7.499 -10.001 -1.016 288 HB3 ASP 38 3HB ASP 38 -6.208 -10.306 0.135 289 H GLY 39 H GLY 39 -7.010 -11.841 2.566 290 HA2 GLY 39 2HA GLY 39 -6.827 -14.123 3.662 291 HA3 GLY 39 3HA GLY 39 -5.626 -14.475 2.430 292 H GLY 40 H GLY 40 -4.604 -11.657 2.559 293 HA2 GLY 40 2HA GLY 40 -2.809 -12.093 4.885 294 HA3 GLY 40 3HA GLY 40 -2.387 -11.272 3.391 295 H ASP 41 H ASP 41 -1.784 -9.330 4.150 296 HA ASP 41 HA ASP 41 -3.661 -7.342 4.763 297 HB2 ASP 41 2HB ASP 41 -3.684 -8.386 7.029 298 HB3 ASP 41 3HB ASP 41 -1.944 -8.182 7.156 299 H VAL 42 H VAL 42 -2.586 -5.217 5.029 300 HA VAL 42 HA VAL 42 0.255 -5.188 4.188 301 HB VAL 42 HB VAL 42 -0.155 -3.085 2.906 302 HG11 VAL 42 1HG1 VAL 42 -1.216 -4.107 0.936 303 HG12 VAL 42 2HG1 VAL 42 -1.839 -5.420 1.939 304 HG13 VAL 42 3HG1 VAL 42 -0.100 -5.228 1.717 305 HG21 VAL 42 3HG2 VAL 42 -2.418 -2.356 2.318 306 HG22 VAL 42 1HG2 VAL 42 -2.193 -2.303 4.065 307 HG23 VAL 42 2HG2 VAL 42 -3.117 -3.616 3.336 308 H ILE 43 H ILE 43 1.532 -4.160 5.614 309 HA ILE 43 HA ILE 43 0.291 -2.393 7.651 310 HB ILE 43 HB ILE 43 2.877 -3.984 8.032 311 HG12 ILE 43 2HG1 ILE 43 1.390 -5.351 9.725 312 HG13 ILE 43 3HG1 ILE 43 0.024 -4.747 8.802 313 HG21 ILE 43 1HG2 ILE 43 2.592 -3.365 10.422 314 HG22 ILE 43 2HG2 ILE 43 1.150 -2.439 10.009 315 HG23 ILE 43 3HG2 ILE 43 2.725 -1.940 9.387 316 HD11 ILE 43 3HD1 ILE 43 2.270 -6.458 7.723 317 HD12 ILE 43 1HD1 ILE 43 0.890 -5.865 6.795 318 HD13 ILE 43 2HD1 ILE 43 0.640 -7.001 8.121 319 H TYR 44 H TYR 44 0.919 -0.320 7.545 320 HA TYR 44 HA TYR 44 2.763 0.625 5.594 321 HB2 TYR 44 2HB TYR 44 0.783 1.933 6.288 322 HB3 TYR 44 3HB TYR 44 1.421 2.080 7.921 323 HD1 TYR 44 HD2 TYR 44 2.215 2.953 4.359 324 HD2 TYR 44 HD1 TYR 44 2.761 3.991 8.469 325 HE1 TYR 44 HE2 TYR 44 3.332 5.034 3.699 326 HE2 TYR 44 HE1 TYR 44 3.878 6.053 7.803 327 HH TYR 44 HH TYR 44 3.777 7.265 4.676 328 H LYS 45 H LYS 45 4.895 0.467 5.786 329 HA LYS 45 HA LYS 45 6.212 0.364 8.414 330 HB2 LYS 45 2HB LYS 45 7.300 -0.161 5.616 331 HB3 LYS 45 3HB LYS 45 8.212 -0.362 7.102 332 HG2 LYS 45 2HG LYS 45 5.716 -1.952 6.444 333 HG3 LYS 45 3HG LYS 45 7.350 -2.482 6.062 334 HD2 LYS 45 2HD LYS 45 6.995 -3.596 8.070 335 HD3 LYS 45 3HD LYS 45 7.782 -2.131 8.650 336 HE2 LYS 45 2HE LYS 45 5.523 -1.191 9.163 337 HE3 LYS 45 3HE LYS 45 4.805 -2.723 8.672 338 HZ1 LYS 45 3HZ LYS 45 6.729 -2.342 10.900 339 HZ2 LYS 45 1HZ LYS 45 6.076 -3.823 10.419 340 HZ3 LYS 45 2HZ LYS 45 5.073 -2.622 11.050 341 H GLY 46 H GLY 46 6.229 2.271 5.371 342 HA2 GLY 46 2HA GLY 46 6.897 4.700 6.684 343 HA3 GLY 46 3HA GLY 46 8.373 3.998 6.030 344 H PHE 47 H PHE 47 8.024 6.295 5.097 345 HA PHE 47 HA PHE 47 7.496 5.956 2.277 346 HB2 PHE 47 2HB PHE 47 5.253 6.680 2.993 347 HB3 PHE 47 3HB PHE 47 5.932 8.018 3.907 348 HD1 PHE 47 HD2 PHE 47 5.493 6.700 0.442 349 HD2 PHE 47 HD1 PHE 47 6.262 10.146 2.852 350 HE1 PHE 47 HE2 PHE 47 5.205 8.144 -1.525 351 HE2 PHE 47 HE1 PHE 47 5.975 11.584 0.878 352 HZ PHE 47 HZ PHE 47 5.454 10.583 -1.314 353 H GLU 48 H GLU 48 9.399 6.616 1.580 354 HA GLU 48 HA GLU 48 10.513 9.213 2.470 355 HB2 GLU 48 2HB GLU 48 12.145 6.714 1.776 356 HB3 GLU 48 3HB GLU 48 12.806 8.301 2.161 357 HG2 GLU 48 2HG GLU 48 11.750 8.094 4.449 358 HG3 GLU 48 3HG GLU 48 11.319 6.441 4.035 359 H ASP 49 H ASP 49 11.319 10.469 0.809 360 HA ASP 49 HA ASP 49 11.450 11.396 -1.240 361 HB2 ASP 49 2HB ASP 49 11.854 8.544 -2.251 362 HB3 ASP 49 3HB ASP 49 12.178 9.998 -3.184 363 H GLY 50 H GLY 50 9.990 8.442 -2.491 364 HA2 GLY 50 2HA GLY 50 7.279 9.479 -2.465 365 HA3 GLY 50 3HA GLY 50 8.014 9.282 -4.053 366 H ILE 51 H ILE 51 9.202 7.029 -1.817 367 HA ILE 51 HA ILE 51 7.621 4.880 -3.066 368 HB ILE 51 HB ILE 51 10.250 4.705 -1.516 369 HG12 ILE 51 2HG1 ILE 51 10.583 5.872 -3.655 370 HG13 ILE 51 3HG1 ILE 51 11.305 4.272 -3.738 371 HG21 ILE 51 1HG2 ILE 51 8.761 2.547 -3.066 372 HG22 ILE 51 2HG2 ILE 51 8.972 2.620 -1.316 373 HG23 ILE 51 3HG2 ILE 51 10.371 2.372 -2.360 374 HD11 ILE 51 3HD1 ILE 51 10.205 4.837 -5.806 375 HD12 ILE 51 1HD1 ILE 51 8.679 5.114 -4.970 376 HD13 ILE 51 2HD1 ILE 51 9.366 3.488 -5.043 377 H VAL 52 H VAL 52 5.993 4.150 -1.924 378 HA VAL 52 HA VAL 52 5.773 4.468 0.970 379 HB VAL 52 HB VAL 52 3.796 3.059 -0.894 380 HG11 VAL 52 1HG1 VAL 52 3.393 4.299 1.851 381 HG12 VAL 52 2HG1 VAL 52 3.462 2.574 1.488 382 HG13 VAL 52 3HG1 VAL 52 2.134 3.553 0.864 383 HG21 VAL 52 3HG2 VAL 52 4.171 5.354 -1.726 384 HG22 VAL 52 1HG2 VAL 52 3.773 6.003 -0.131 385 HG23 VAL 52 2HG2 VAL 52 2.544 5.160 -1.075 386 H GLN 53 H GLN 53 6.881 2.982 2.151 387 HA GLN 53 HA GLN 53 7.424 0.290 1.136 388 HB2 GLN 53 2HB GLN 53 8.280 1.740 3.680 389 HB3 GLN 53 3HB GLN 53 8.737 0.080 3.297 390 HG2 GLN 53 2HG GLN 53 9.890 0.863 1.252 391 HG3 GLN 53 3HG GLN 53 9.430 2.524 1.641 392 HE21 GLN 53 1HE2 GLN 53 11.597 3.138 1.689 393 HE22 GLN 53 2HE2 GLN 53 12.637 2.753 3.015 394 H LEU 54 H LEU 54 5.993 -1.247 1.412 395 HA LEU 54 HA LEU 54 4.237 -1.336 3.794 396 HB2 LEU 54 2HB LEU 54 3.523 -2.112 0.929 397 HB3 LEU 54 3HB LEU 54 2.482 -2.339 2.328 398 HG LEU 54 HG LEU 54 3.357 0.340 1.181 399 HD11 LEU 54 1HD1 LEU 54 0.642 -1.010 1.196 400 HD12 LEU 54 2HD1 LEU 54 1.698 -0.794 -0.204 401 HD13 LEU 54 3HD1 LEU 54 0.998 0.612 0.591 402 HD21 LEU 54 3HD2 LEU 54 1.557 -0.239 3.555 403 HD22 LEU 54 1HD2 LEU 54 1.824 1.347 2.824 404 HD23 LEU 54 2HD2 LEU 54 3.159 0.505 3.605 405 H LYS 55 H LYS 55 4.183 -3.196 4.831 406 HA LYS 55 HA LYS 55 5.731 -5.511 3.948 407 HB2 LYS 55 2HB LYS 55 5.966 -4.808 6.285 408 HB3 LYS 55 3HB LYS 55 4.222 -4.887 6.533 409 HG2 LYS 55 2HG LYS 55 4.332 -7.361 6.089 410 HG3 LYS 55 3HG LYS 55 6.093 -7.226 6.022 411 HD2 LYS 55 2HD LYS 55 6.163 -6.494 8.355 412 HD3 LYS 55 3HD LYS 55 4.397 -6.464 8.432 413 HE2 LYS 55 2HE LYS 55 4.320 -8.889 8.100 414 HE3 LYS 55 3HE LYS 55 6.080 -8.940 7.946 415 HZ1 LYS 55 3HZ LYS 55 5.339 -9.576 10.152 416 HZ2 LYS 55 1HZ LYS 55 4.600 -8.068 10.373 417 HZ3 LYS 55 2HZ LYS 55 6.281 -8.178 10.210 418 H LEU 56 H LEU 56 4.757 -7.318 3.069 419 HA LEU 56 HA LEU 56 1.803 -7.482 2.976 420 HB2 LEU 56 2HB LEU 56 3.812 -9.096 1.349 421 HB3 LEU 56 3HB LEU 56 2.070 -9.062 1.123 422 HG LEU 56 HG LEU 56 4.056 -6.846 0.496 423 HD11 LEU 56 1HD1 LEU 56 3.263 -7.099 -1.813 424 HD12 LEU 56 2HD1 LEU 56 2.196 -8.415 -1.317 425 HD13 LEU 56 3HD1 LEU 56 3.948 -8.599 -1.193 426 HD21 LEU 56 3HD2 LEU 56 1.033 -6.653 0.345 427 HD22 LEU 56 1HD2 LEU 56 2.179 -5.469 -0.289 428 HD23 LEU 56 2HD2 LEU 56 2.092 -5.765 1.444 429 H GLN 57 H GLN 57 0.722 -9.216 3.809 430 HA GLN 57 HA GLN 57 2.186 -11.134 5.523 431 HB2 GLN 57 2HB GLN 57 -0.726 -10.284 5.397 432 HB3 GLN 57 3HB GLN 57 -0.201 -11.666 6.346 433 HG2 GLN 57 2HG GLN 57 0.817 -8.837 6.761 434 HG3 GLN 57 3HG GLN 57 -0.513 -9.558 7.666 435 HE21 GLN 57 1HE2 GLN 57 2.003 -8.546 8.724 436 HE22 GLN 57 2HE2 GLN 57 2.769 -9.875 9.515 437 H GLY 58 H GLY 58 0.923 -13.342 5.648 438 HA2 GLY 58 2HA GLY 58 1.607 -14.834 3.388 439 HA3 GLY 58 3HA GLY 58 0.595 -15.400 4.709 440 H SER 59 H SER 59 0.203 -16.291 2.127 441 HA SER 59 HA SER 59 -1.300 -16.684 0.503 442 HB2 SER 59 2HB SER 59 -3.126 -14.575 1.744 443 HB3 SER 59 3HB SER 59 -3.587 -15.755 0.518 444 HG SER 59 HG SER 59 -2.900 -16.195 3.223 445 H CYS 60 H CYS 60 -1.263 -13.170 1.199 446 HA CYS 60 HA CYS 60 -1.364 -12.320 -1.504 447 HB2 CYS 60 2HB CYS 60 -0.393 -10.782 0.938 448 HB3 CYS 60 3HB CYS 60 -0.987 -10.092 -0.573 449 HG CYS 60 HG CYS 60 -3.468 -11.789 0.079 450 H THR 61 H THR 61 1.327 -12.882 0.752 451 HA THR 61 HA THR 61 3.329 -12.005 -1.216 452 HB THR 61 HB THR 61 3.459 -11.223 1.186 453 HG1 THR 61 HG1 THR 61 5.735 -12.747 0.371 454 HG21 THR 61 3HG2 THR 61 4.390 -12.730 2.892 455 HG22 THR 61 1HG2 THR 61 4.310 -14.088 1.767 456 HG23 THR 61 2HG2 THR 61 2.825 -13.322 2.337 457 H SER 62 H SER 62 1.677 -14.759 -0.815 458 HA SER 62 HA SER 62 3.765 -16.730 -0.622 459 HB2 SER 62 2HB SER 62 0.831 -17.024 -1.393 460 HB3 SER 62 3HB SER 62 1.936 -18.360 -1.047 461 HG SER 62 HG SER 62 1.361 -18.077 0.931 462 H CYS 63 H CYS 63 1.724 -15.495 -3.256 463 HA CYS 63 HA CYS 63 3.448 -16.814 -5.274 464 HB2 CYS 63 2HB CYS 63 1.366 -16.449 -6.775 465 HB3 CYS 63 3HB CYS 63 1.258 -17.691 -5.532 466 HG CYS 63 HG CYS 63 0.146 -14.613 -4.705 467 HA PRO 64 HA PRO 64 5.000 -12.670 -6.283 468 HB2 PRO 64 2HB PRO 64 5.456 -13.978 -8.972 469 HB3 PRO 64 3HB PRO 64 6.581 -13.043 -7.957 470 HG2 PRO 64 2HG PRO 64 6.806 -15.672 -8.050 471 HG3 PRO 64 3HG PRO 64 6.972 -14.831 -6.489 472 HD2 PRO 64 2HD PRO 64 4.611 -16.375 -7.565 473 HD3 PRO 64 3HD PRO 64 5.296 -16.357 -5.921 474 H SER 65 H SER 65 2.621 -14.338 -8.266 475 HA SER 65 HA SER 65 1.816 -12.328 -10.024 476 HB2 SER 65 2HB SER 65 1.066 -14.707 -10.149 477 HB3 SER 65 3HB SER 65 0.049 -14.445 -8.732 478 HG SER 65 HG SER 65 -0.487 -12.552 -10.555 479 H SER 66 H SER 66 0.633 -13.119 -6.764 480 HA SER 66 HA SER 66 -1.232 -10.959 -6.590 481 HB2 SER 66 2HB SER 66 -0.042 -12.628 -4.339 482 HB3 SER 66 3HB SER 66 -1.504 -11.643 -4.252 483 HG SER 66 HG SER 66 -2.590 -13.092 -5.364 484 H ILE 67 H ILE 67 2.123 -11.433 -5.559 485 HA ILE 67 HA ILE 67 2.469 -9.278 -3.814 486 HB ILE 67 HB ILE 67 4.486 -10.613 -5.688 487 HG12 ILE 67 2HG1 ILE 67 3.924 -11.037 -2.718 488 HG13 ILE 67 3HG1 ILE 67 3.502 -12.143 -4.017 489 HG21 ILE 67 1HG2 ILE 67 6.289 -9.670 -4.285 490 HG22 ILE 67 2HG2 ILE 67 5.101 -8.745 -3.370 491 HG23 ILE 67 3HG2 ILE 67 5.359 -8.397 -5.081 492 HD11 ILE 67 3HD1 ILE 67 6.290 -11.438 -3.100 493 HD12 ILE 67 1HD1 ILE 67 5.906 -12.484 -4.472 494 HD13 ILE 67 2HD1 ILE 67 5.428 -12.954 -2.842 495 H ILE 68 H ILE 68 3.207 -9.410 -7.313 496 HA ILE 68 HA ILE 68 4.083 -6.710 -7.548 497 HB ILE 68 HB ILE 68 3.183 -8.660 -9.713 498 HG12 ILE 68 2HG1 ILE 68 6.002 -7.982 -8.751 499 HG13 ILE 68 3HG1 ILE 68 5.132 -9.466 -8.380 500 HG21 ILE 68 1HG2 ILE 68 3.080 -6.355 -10.567 501 HG22 ILE 68 2HG2 ILE 68 4.396 -7.247 -11.332 502 HG23 ILE 68 3HG2 ILE 68 4.747 -6.079 -10.057 503 HD11 ILE 68 3HD1 ILE 68 5.135 -10.059 -10.753 504 HD12 ILE 68 1HD1 ILE 68 6.764 -9.828 -10.126 505 HD13 ILE 68 2HD1 ILE 68 6.023 -8.578 -11.123 506 H THR 69 H THR 69 1.004 -8.334 -8.425 507 HA THR 69 HA THR 69 -0.224 -6.071 -9.603 508 HB THR 69 HB THR 69 -1.493 -8.606 -8.483 509 HG1 THR 69 HG1 THR 69 -0.032 -8.037 -10.740 510 HG21 THR 69 3HG2 THR 69 -3.209 -6.847 -8.837 511 HG22 THR 69 1HG2 THR 69 -3.371 -8.143 -10.024 512 HG23 THR 69 2HG2 THR 69 -2.631 -6.609 -10.488 513 H LEU 70 H LEU 70 -0.272 -7.343 -6.267 514 HA LEU 70 HA LEU 70 -2.300 -5.637 -5.235 515 HB2 LEU 70 2HB LEU 70 -1.520 -7.676 -4.054 516 HB3 LEU 70 3HB LEU 70 0.061 -6.948 -3.817 517 HG LEU 70 HG LEU 70 -0.910 -5.256 -2.308 518 HD11 LEU 70 1HD1 LEU 70 -3.244 -5.342 -1.590 519 HD12 LEU 70 2HD1 LEU 70 -3.580 -6.610 -2.771 520 HD13 LEU 70 3HD1 LEU 70 -3.111 -4.995 -3.312 521 HD21 LEU 70 3HD2 LEU 70 -1.487 -6.713 -0.417 522 HD22 LEU 70 1HD2 LEU 70 -0.119 -7.362 -1.323 523 HD23 LEU 70 2HD2 LEU 70 -1.723 -8.074 -1.515 524 H LYS 71 H LYS 71 1.267 -5.451 -5.127 525 HA LYS 71 HA LYS 71 1.580 -2.996 -3.845 526 HB2 LYS 71 2HB LYS 71 3.408 -4.535 -4.113 527 HB3 LYS 71 3HB LYS 71 3.323 -4.464 -5.860 528 HG2 LYS 71 2HG LYS 71 3.964 -1.926 -4.376 529 HG3 LYS 71 3HG LYS 71 5.210 -3.163 -4.458 530 HD2 LYS 71 2HD LYS 71 3.853 -1.864 -6.857 531 HD3 LYS 71 3HD LYS 71 5.455 -1.459 -6.244 532 HE2 LYS 71 2HE LYS 71 4.638 -4.165 -7.362 533 HE3 LYS 71 3HE LYS 71 5.592 -2.949 -8.209 534 HZ1 LYS 71 3HZ LYS 71 7.267 -3.153 -6.433 535 HZ2 LYS 71 1HZ LYS 71 7.045 -4.583 -7.299 536 HZ3 LYS 71 2HZ LYS 71 6.384 -4.419 -5.755 537 H ASN 72 H ASN 72 1.150 -3.672 -7.308 538 HA ASN 72 HA ASN 72 1.473 -0.983 -8.222 539 HB2 ASN 72 2HB ASN 72 0.233 -3.442 -9.529 540 HB3 ASN 72 3HB ASN 72 0.346 -1.888 -10.353 541 HD21 ASN 72 1HD2 ASN 72 1.588 -4.429 -11.078 542 HD22 ASN 72 2HD2 ASN 72 3.286 -4.130 -11.130 543 H GLY 73 H GLY 73 -1.388 -2.969 -7.404 544 HA2 GLY 73 2HA GLY 73 -3.408 -1.186 -8.232 545 HA3 GLY 73 3HA GLY 73 -3.572 -2.401 -6.970 546 H ILE 74 H ILE 74 -1.827 -1.566 -5.090 547 HA ILE 74 HA ILE 74 -3.076 0.478 -3.632 548 HB ILE 74 HB ILE 74 -0.204 -0.533 -3.338 549 HG12 ILE 74 2HG1 ILE 74 -2.684 -1.555 -1.884 550 HG13 ILE 74 3HG1 ILE 74 -1.935 -2.371 -3.244 551 HG21 ILE 74 1HG2 ILE 74 -1.998 0.878 -1.333 552 HG22 ILE 74 2HG2 ILE 74 -0.561 1.550 -2.108 553 HG23 ILE 74 3HG2 ILE 74 -0.408 0.205 -0.982 554 HD11 ILE 74 3HD1 ILE 74 -1.295 -3.409 -1.162 555 HD12 ILE 74 1HD1 ILE 74 -0.651 -1.883 -0.557 556 HD13 ILE 74 2HD1 ILE 74 0.114 -2.683 -1.933 557 H GLN 75 H GLN 75 -0.164 0.405 -5.646 558 HA GLN 75 HA GLN 75 0.866 2.942 -5.162 559 HB2 GLN 75 2HB GLN 75 2.099 1.103 -6.287 560 HB3 GLN 75 3HB GLN 75 1.083 1.285 -7.713 561 HG2 GLN 75 2HG GLN 75 1.989 3.527 -8.096 562 HG3 GLN 75 3HG GLN 75 2.950 3.412 -6.623 563 HE21 GLN 75 1HE2 GLN 75 3.754 0.627 -7.041 564 HE22 GLN 75 2HE2 GLN 75 4.896 0.653 -8.336 565 H ASN 76 H ASN 76 -1.255 1.895 -7.877 566 HA ASN 76 HA ASN 76 -1.459 4.454 -9.075 567 HB2 ASN 76 2HB ASN 76 -3.324 2.051 -9.321 568 HB3 ASN 76 3HB ASN 76 -3.429 3.487 -10.329 569 HD21 ASN 76 1HD2 ASN 76 -1.936 0.472 -9.919 570 HD22 ASN 76 2HD2 ASN 76 -0.793 0.578 -11.208 571 H MET 77 H MET 77 -3.407 2.856 -6.557 572 HA MET 77 HA MET 77 -5.527 4.772 -6.488 573 HB2 MET 77 2HB MET 77 -5.658 2.475 -5.498 574 HB3 MET 77 3HB MET 77 -4.538 2.967 -4.237 575 HG2 MET 77 2HG MET 77 -7.200 4.348 -4.661 576 HG3 MET 77 3HG MET 77 -7.020 2.935 -3.627 577 HE1 MET 77 3HE MET 77 -4.687 4.281 -0.794 578 HE2 MET 77 1HE MET 77 -4.191 3.426 -2.252 579 HE3 MET 77 2HE MET 77 -5.635 2.912 -1.379 580 H LEU 78 H LEU 78 -2.515 4.453 -4.604 581 HA LEU 78 HA LEU 78 -2.832 6.787 -3.025 582 HB2 LEU 78 2HB LEU 78 -0.383 5.136 -3.756 583 HB3 LEU 78 3HB LEU 78 -0.291 6.524 -2.685 584 HG LEU 78 HG LEU 78 -1.944 4.022 -2.130 585 HD11 LEU 78 1HD1 LEU 78 0.711 4.882 -0.925 586 HD12 LEU 78 2HD1 LEU 78 0.462 3.544 -2.050 587 HD13 LEU 78 3HD1 LEU 78 -0.249 3.479 -0.440 588 HD21 LEU 78 3HD2 LEU 78 -1.364 6.430 -0.362 589 HD22 LEU 78 1HD2 LEU 78 -2.216 4.964 0.134 590 HD23 LEU 78 2HD2 LEU 78 -2.919 6.016 -1.090 591 H GLN 79 H GLN 79 -1.581 6.258 -6.260 592 HA GLN 79 HA GLN 79 -0.359 8.882 -6.548 593 HB2 GLN 79 2HB GLN 79 -0.911 6.637 -8.535 594 HB3 GLN 79 3HB GLN 79 -0.153 8.161 -8.995 595 HG2 GLN 79 2HG GLN 79 1.715 7.733 -7.493 596 HG3 GLN 79 3HG GLN 79 0.965 6.242 -6.932 597 HE21 GLN 79 1HE2 GLN 79 3.556 6.637 -8.165 598 HE22 GLN 79 2HE2 GLN 79 3.579 5.636 -9.575 599 H PHE 80 H PHE 80 -3.471 7.450 -7.108 600 HA PHE 80 HA PHE 80 -4.666 9.307 -8.870 601 HB2 PHE 80 2HB PHE 80 -5.692 7.126 -8.314 602 HB3 PHE 80 3HB PHE 80 -5.873 7.609 -6.637 603 HD1 PHE 80 HD1 PHE 80 -7.096 8.244 -10.092 604 HD2 PHE 80 HD2 PHE 80 -7.813 8.849 -5.917 605 HE1 PHE 80 HE1 PHE 80 -9.362 9.063 -10.588 606 HE2 PHE 80 HE2 PHE 80 -10.074 9.668 -6.424 607 HZ PHE 80 HZ PHE 80 -10.850 9.775 -8.760 608 H TYR 81 H TYR 81 -4.232 9.231 -5.384 609 HA TYR 81 HA TYR 81 -5.607 11.777 -4.965 610 HB2 TYR 81 2HB TYR 81 -4.380 9.751 -3.047 611 HB3 TYR 81 3HB TYR 81 -5.088 11.274 -2.519 612 HD1 TYR 81 HD1 TYR 81 -7.542 11.729 -3.012 613 HD2 TYR 81 HD2 TYR 81 -5.816 7.841 -3.476 614 HE1 TYR 81 HE1 TYR 81 -9.778 10.731 -2.968 615 HE2 TYR 81 HE2 TYR 81 -8.065 6.838 -3.426 616 HH TYR 81 HH TYR 81 -10.884 8.692 -3.757 617 H ILE 82 H ILE 82 -2.333 10.429 -4.780 618 HA ILE 82 HA ILE 82 -1.227 13.077 -3.985 619 HB ILE 82 HB ILE 82 -0.186 10.367 -3.040 620 HG12 ILE 82 2HG1 ILE 82 -1.839 12.326 -1.391 621 HG13 ILE 82 3HG1 ILE 82 -2.473 10.847 -2.098 622 HG21 ILE 82 1HG2 ILE 82 0.483 13.180 -2.102 623 HG22 ILE 82 2HG2 ILE 82 1.512 12.152 -3.101 624 HG23 ILE 82 3HG2 ILE 82 1.147 11.686 -1.441 625 HD11 ILE 82 3HD1 ILE 82 -0.908 9.536 -0.735 626 HD12 ILE 82 1HD1 ILE 82 -2.005 10.521 0.230 627 HD13 ILE 82 2HD1 ILE 82 -0.331 11.029 0.014 628 HA PRO 83 HA PRO 83 1.210 12.002 -7.776 629 HB2 PRO 83 2HB PRO 83 2.225 14.540 -8.167 630 HB3 PRO 83 3HB PRO 83 0.589 14.067 -8.668 631 HG2 PRO 83 2HG PRO 83 1.433 15.545 -6.195 632 HG3 PRO 83 3HG PRO 83 0.082 15.889 -7.299 633 HD2 PRO 83 2HD PRO 83 -0.281 14.608 -4.934 634 HD3 PRO 83 3HD PRO 83 -1.277 14.242 -6.364 635 H GLU 84 H GLU 84 2.159 13.128 -4.645 636 HA GLU 84 HA GLU 84 4.997 13.102 -4.962 637 HB2 GLU 84 2HB GLU 84 3.245 12.882 -2.477 638 HB3 GLU 84 3HB GLU 84 5.002 12.852 -2.393 639 HG2 GLU 84 2HG GLU 84 4.072 15.080 -1.870 640 HG3 GLU 84 3HG GLU 84 5.134 15.107 -3.276 641 H VAL 85 H VAL 85 2.620 10.581 -4.434 642 HA VAL 85 HA VAL 85 4.487 8.515 -3.734 643 HB VAL 85 HB VAL 85 1.688 8.277 -4.943 644 HG11 VAL 85 1HG1 VAL 85 1.721 5.925 -4.150 645 HG12 VAL 85 2HG1 VAL 85 3.399 6.115 -3.638 646 HG13 VAL 85 3HG1 VAL 85 2.982 6.216 -5.350 647 HG21 VAL 85 3HG2 VAL 85 2.590 8.061 -2.044 648 HG22 VAL 85 1HG2 VAL 85 0.941 7.837 -2.634 649 HG23 VAL 85 2HG2 VAL 85 1.711 9.419 -2.751 650 H GLU 86 H GLU 86 6.130 8.359 -5.089 651 HA GLU 86 HA GLU 86 5.900 8.368 -7.987 652 HB2 GLU 86 2HB GLU 86 8.327 7.833 -6.207 653 HB3 GLU 86 3HB GLU 86 8.353 8.167 -7.938 654 HG2 GLU 86 2HG GLU 86 7.477 10.435 -7.547 655 HG3 GLU 86 3HG GLU 86 7.388 10.114 -5.817 656 H GLY 87 H GLY 87 6.078 6.065 -5.391 657 HA2 GLY 87 2HA GLY 87 5.264 3.873 -6.994 658 HA3 GLY 87 3HA GLY 87 6.991 3.759 -6.651 659 H VAL 88 H VAL 88 5.662 1.736 -5.747 660 HA VAL 88 HA VAL 88 5.650 2.069 -2.790 661 HB VAL 88 HB VAL 88 3.692 0.349 -4.430 662 HG11 VAL 88 1HG1 VAL 88 3.974 0.436 -1.401 663 HG12 VAL 88 2HG1 VAL 88 4.411 -0.921 -2.440 664 HG13 VAL 88 3HG1 VAL 88 2.724 -0.430 -2.299 665 HG21 VAL 88 3HG2 VAL 88 1.915 1.683 -3.348 666 HG22 VAL 88 1HG2 VAL 88 3.008 2.700 -4.293 667 HG23 VAL 88 2HG2 VAL 88 3.143 2.658 -2.535 668 H GLU 89 H GLU 89 6.641 0.287 -1.695 669 HA GLU 89 HA GLU 89 7.942 -1.778 -3.387 670 HB2 GLU 89 2HB GLU 89 9.574 0.015 -2.677 671 HB3 GLU 89 3HB GLU 89 9.231 -0.356 -0.988 672 HG2 GLU 89 2HG GLU 89 10.138 -2.610 -1.255 673 HG3 GLU 89 3HG GLU 89 10.378 -2.354 -2.984 674 H GLN 90 H GLN 90 7.929 -3.831 -2.554 675 HA GLN 90 HA GLN 90 6.466 -4.421 -0.104 676 HB2 GLN 90 2HB GLN 90 6.190 -5.934 -2.043 677 HB3 GLN 90 3HB GLN 90 7.921 -6.253 -2.073 678 HG2 GLN 90 2HG GLN 90 7.645 -7.219 0.301 679 HG3 GLN 90 3HG GLN 90 5.905 -7.124 0.023 680 HE21 GLN 90 1HE2 GLN 90 5.641 -9.364 0.183 681 HE22 GLN 90 2HE2 GLN 90 6.211 -10.458 -1.021 682 H VAL 91 H VAL 91 7.499 -4.289 1.779 683 HA VAL 91 HA VAL 91 10.364 -5.034 1.953 684 HB VAL 91 HB VAL 91 10.394 -3.553 4.049 685 HG11 VAL 91 1HG1 VAL 91 10.796 -1.466 2.767 686 HG12 VAL 91 2HG1 VAL 91 9.997 -2.170 1.358 687 HG13 VAL 91 3HG1 VAL 91 11.504 -2.864 1.958 688 HG21 VAL 91 3HG2 VAL 91 7.842 -2.437 2.829 689 HG22 VAL 91 1HG2 VAL 91 8.738 -1.727 4.178 690 HG23 VAL 91 2HG2 VAL 91 7.969 -3.304 4.361 691 H MET 92 H MET 92 10.507 -6.985 2.742 692 HA MET 92 HA MET 92 8.659 -8.141 4.648 693 HB2 MET 92 2HB MET 92 11.365 -9.187 3.687 694 HB3 MET 92 3HB MET 92 10.191 -10.096 4.630 695 HG2 MET 92 2HG MET 92 8.599 -9.994 2.755 696 HG3 MET 92 3HG MET 92 9.767 -9.071 1.813 697 HE1 MET 92 3HE MET 92 12.531 -10.522 2.584 698 HE2 MET 92 1HE MET 92 12.099 -10.089 0.925 699 HE3 MET 92 2HE MET 92 12.641 -11.723 1.298 700 H ASP 93 H ASP 93 8.790 -6.597 6.308 701 HA ASP 93 HA ASP 93 11.252 -6.596 7.960 702 HB2 ASP 93 2HB ASP 93 10.448 -4.355 7.339 703 HB3 ASP 93 3HB ASP 93 8.844 -4.719 7.968 704 H ASP 94 H ASP 94 11.191 -8.171 9.407 705 HA ASP 94 HA ASP 94 10.576 -9.759 10.855 706 HB2 ASP 94 2HB ASP 94 9.642 -8.024 12.302 707 HB3 ASP 94 3HB ASP 94 8.160 -7.954 11.356 708 H GLU 95 H GLU 95 10.476 -11.077 8.960 709 HA GLU 95 HA GLU 95 7.894 -11.911 7.911 710 HB2 GLU 95 2HB GLU 95 9.186 -13.613 6.678 711 HB3 GLU 95 3HB GLU 95 9.902 -12.019 6.496 712 HG2 GLU 95 2HG GLU 95 11.577 -12.662 8.292 713 HG3 GLU 95 3HG GLU 95 10.921 -14.296 8.219 714 H SER 96 H SER 96 10.196 -13.006 10.304 715 HA SER 96 HA SER 96 8.333 -14.334 11.965 716 HB2 SER 96 2HB SER 96 8.541 -16.090 10.129 717 HB3 SER 96 3HB SER 96 10.272 -16.184 10.456 718 HG SER 96 HG SER 96 9.127 -16.521 12.776 719 H ASP 97 H ASP 97 10.033 -12.270 12.344 720 HA ASP 97 HA ASP 97 11.839 -11.336 13.312 721 HB2 ASP 97 2HB ASP 97 12.055 -13.996 14.797 722 HB3 ASP 97 3HB ASP 97 12.994 -12.561 15.195 Start of MODEL 14 1 H1 MET 1 1H MET 1 15.415 -6.331 -18.953 2 H2 MET 1 2H MET 1 15.186 -4.757 -18.390 3 H3 MET 1 3H MET 1 14.692 -6.066 -17.444 4 HA MET 1 HA MET 1 16.942 -6.784 -17.147 5 HB2 MET 1 2HB MET 1 17.679 -4.303 -18.772 6 HB3 MET 1 3HB MET 1 18.836 -5.336 -17.941 7 HG2 MET 1 2HG MET 1 18.227 -7.202 -19.414 8 HG3 MET 1 3HG MET 1 17.051 -6.176 -20.232 9 HE1 MET 1 3HE MET 1 19.367 -3.524 -21.972 10 HE2 MET 1 1HE MET 1 18.643 -3.363 -20.373 11 HE3 MET 1 2HE MET 1 17.707 -4.050 -21.702 12 H GLY 2 H GLY 2 16.520 -6.434 -15.003 13 HA2 GLY 2 2HA GLY 2 16.681 -5.428 -12.964 14 HA3 GLY 2 3HA GLY 2 17.560 -4.120 -13.737 15 H HIS 3 H HIS 3 16.625 -2.200 -13.372 16 HA HIS 3 HA HIS 3 15.173 -0.556 -12.834 17 HB2 HIS 3 2HB HIS 3 13.227 -2.196 -14.512 18 HB3 HIS 3 3HB HIS 3 12.899 -0.563 -13.935 19 HD1 HIS 3 HD1 HIS 3 14.976 -2.451 -16.419 20 HD2 HIS 3 HD2 HIS 3 14.216 1.489 -15.351 21 HE1 HIS 3 HE1 HIS 3 15.956 -1.057 -18.254 22 HE2 HIS 3 HE2 HIS 3 15.691 1.312 -17.461 23 H HIS 4 H HIS 4 15.447 -2.933 -11.121 24 HA HIS 4 HA HIS 4 13.245 -2.356 -9.272 25 HB2 HIS 4 2HB HIS 4 12.596 -4.467 -10.437 26 HB3 HIS 4 3HB HIS 4 14.137 -5.195 -9.993 27 HD1 HIS 4 HD1 HIS 4 14.304 -6.232 -7.679 28 HD2 HIS 4 HD2 HIS 4 10.809 -4.041 -8.187 29 HE1 HIS 4 HE1 HIS 4 12.893 -6.733 -5.667 30 HE2 HIS 4 HE2 HIS 4 10.735 -5.516 -6.069 31 H HIS 5 H HIS 5 14.746 -1.106 -8.204 32 HA HIS 5 HA HIS 5 16.470 -2.307 -6.286 33 HB2 HIS 5 2HB HIS 5 18.644 -1.483 -7.063 34 HB3 HIS 5 3HB HIS 5 17.957 -2.491 -8.331 35 HD1 HIS 5 HD1 HIS 5 19.406 0.792 -7.744 36 HD2 HIS 5 HD2 HIS 5 16.812 -0.869 -10.540 37 HE1 HIS 5 HE1 HIS 5 19.358 2.399 -9.663 38 HE2 HIS 5 HE2 HIS 5 17.677 1.449 -11.259 39 H HIS 6 H HIS 6 17.555 -0.576 -4.959 40 HA HIS 6 HA HIS 6 15.848 1.760 -4.714 41 HB2 HIS 6 2HB HIS 6 18.147 0.680 -3.043 42 HB3 HIS 6 3HB HIS 6 17.500 2.293 -2.753 43 HD1 HIS 6 HD1 HIS 6 15.937 2.250 -0.861 44 HD2 HIS 6 HD2 HIS 6 15.700 -1.217 -3.126 45 HE1 HIS 6 HE1 HIS 6 14.137 0.870 0.200 46 HE2 HIS 6 HE2 HIS 6 13.901 -1.120 -1.296 47 H HIS 7 H HIS 7 16.230 3.197 -6.348 48 HA HIS 7 HA HIS 7 18.728 4.406 -7.004 49 HB2 HIS 7 2HB HIS 7 16.726 4.826 -8.361 50 HB3 HIS 7 3HB HIS 7 15.844 5.450 -6.975 51 HD1 HIS 7 HD1 HIS 7 15.889 7.922 -6.659 52 HD2 HIS 7 HD2 HIS 7 18.868 6.605 -9.240 53 HE1 HIS 7 HE1 HIS 7 16.937 9.998 -7.602 54 HE2 HIS 7 HE2 HIS 7 18.804 9.172 -9.065 55 H HIS 8 H HIS 8 20.038 5.142 -5.344 56 HA HIS 8 HA HIS 8 19.036 5.419 -2.704 57 HB2 HIS 8 2HB HIS 8 21.365 5.903 -2.013 58 HB3 HIS 8 3HB HIS 8 21.251 4.489 -3.047 59 HD1 HIS 8 HD1 HIS 8 22.740 7.872 -2.801 60 HD2 HIS 8 HD2 HIS 8 22.524 4.796 -5.591 61 HE1 HIS 8 HE1 HIS 8 24.516 8.375 -4.501 62 HE2 HIS 8 HE2 HIS 8 24.241 6.601 -6.259 63 H SER 9 H SER 9 17.535 7.032 -2.675 64 HA SER 9 HA SER 9 18.243 9.806 -3.374 65 HB2 SER 9 2HB SER 9 15.542 8.585 -2.643 66 HB3 SER 9 3HB SER 9 15.829 10.171 -3.355 67 HG SER 9 HG SER 9 16.052 7.620 -4.525 68 H HIS 10 H HIS 10 16.647 11.268 -1.775 69 HA HIS 10 HA HIS 10 16.777 10.707 1.008 70 HB2 HIS 10 2HB HIS 10 18.452 12.490 1.647 71 HB3 HIS 10 3HB HIS 10 19.179 11.127 0.807 72 HD1 HIS 10 HD1 HIS 10 19.096 14.733 0.803 73 HD2 HIS 10 HD2 HIS 10 19.733 11.772 -2.048 74 HE1 HIS 10 HE1 HIS 10 20.247 15.871 -1.119 75 HE2 HIS 10 HE2 HIS 10 20.461 14.096 -2.887 76 H MET 11 H MET 11 14.925 11.694 1.668 77 HA MET 11 HA MET 11 13.814 13.894 0.053 78 HB2 MET 11 2HB MET 11 12.526 11.707 0.583 79 HB3 MET 11 3HB MET 11 12.355 12.315 2.221 80 HG2 MET 11 2HG MET 11 11.053 14.209 1.429 81 HG3 MET 11 3HG MET 11 11.356 13.758 -0.248 82 HE1 MET 11 3HE MET 11 8.596 11.378 2.620 83 HE2 MET 11 1HE MET 11 9.393 12.887 3.064 84 HE3 MET 11 2HE MET 11 10.340 11.416 2.852 85 H GLY 12 H GLY 12 15.934 14.703 1.593 86 HA2 GLY 12 2HA GLY 12 15.154 15.918 4.101 87 HA3 GLY 12 3HA GLY 12 16.671 16.138 3.237 88 H SER 13 H SER 13 13.252 16.953 3.066 89 HA SER 13 HA SER 13 13.658 19.656 2.172 90 HB2 SER 13 2HB SER 13 12.343 19.213 -0.005 91 HB3 SER 13 3HB SER 13 14.010 18.638 0.007 92 HG SER 13 HG SER 13 12.180 17.166 -0.722 93 H GLU 14 H GLU 14 11.403 16.915 2.144 94 HA GLU 14 HA GLU 14 9.496 18.370 3.856 95 HB2 GLU 14 2HB GLU 14 8.748 16.837 1.313 96 HB3 GLU 14 3HB GLU 14 7.591 17.443 2.499 97 HG2 GLU 14 2HG GLU 14 8.385 19.763 2.033 98 HG3 GLU 14 3HG GLU 14 9.452 19.119 0.790 99 H GLU 15 H GLU 15 9.193 17.179 5.594 100 HA GLU 15 HA GLU 15 8.892 14.261 5.435 101 HB2 GLU 15 2HB GLU 15 11.304 14.879 6.109 102 HB3 GLU 15 3HB GLU 15 10.630 15.581 7.574 103 HG2 GLU 15 2HG GLU 15 11.405 13.400 8.158 104 HG3 GLU 15 3HG GLU 15 9.648 13.300 8.100 105 H ASP 16 H ASP 16 6.804 15.640 5.411 106 HA ASP 16 HA ASP 16 5.823 16.351 8.093 107 HB2 ASP 16 2HB ASP 16 3.896 17.344 6.900 108 HB3 ASP 16 3HB ASP 16 5.409 17.976 6.268 109 H ASP 17 H ASP 17 4.072 15.352 9.018 110 HA ASP 17 HA ASP 17 3.460 12.633 8.193 111 HB2 ASP 17 2HB ASP 17 2.635 14.264 10.631 112 HB3 ASP 17 3HB ASP 17 2.123 12.603 10.362 113 H GLY 18 H GLY 18 2.311 15.449 7.034 114 HA2 GLY 18 2HA GLY 18 -0.533 15.077 7.104 115 HA3 GLY 18 3HA GLY 18 0.369 16.098 5.994 116 H VAL 19 H VAL 19 1.825 14.652 4.457 117 HA VAL 19 HA VAL 19 0.204 13.191 2.690 118 HB VAL 19 HB VAL 19 3.250 13.080 2.958 119 HG11 VAL 19 1HG1 VAL 19 3.275 12.341 0.590 120 HG12 VAL 19 2HG1 VAL 19 1.511 12.285 0.585 121 HG13 VAL 19 3HG1 VAL 19 2.426 11.180 1.612 122 HG21 VAL 19 3HG2 VAL 19 3.289 14.775 1.162 123 HG22 VAL 19 1HG2 VAL 19 2.446 15.371 2.596 124 HG23 VAL 19 2HG2 VAL 19 1.525 14.843 1.185 125 H VAL 20 H VAL 20 2.439 12.134 5.215 126 HA VAL 20 HA VAL 20 2.391 9.360 4.765 127 HB VAL 20 HB VAL 20 2.968 10.953 7.304 128 HG11 VAL 20 1HG1 VAL 20 2.414 8.676 7.985 129 HG12 VAL 20 2HG1 VAL 20 4.149 8.945 8.161 130 HG13 VAL 20 3HG1 VAL 20 3.534 8.012 6.794 131 HG21 VAL 20 3HG2 VAL 20 5.341 10.586 6.701 132 HG22 VAL 20 1HG2 VAL 20 4.474 11.460 5.435 133 HG23 VAL 20 2HG2 VAL 20 4.839 9.743 5.232 134 H ALA 21 H ALA 21 0.331 11.403 6.871 135 HA ALA 21 HA ALA 21 -1.127 9.297 8.118 136 HB1 ALA 21 3HB ALA 21 -1.035 11.561 9.079 137 HB2 ALA 21 1HB ALA 21 -2.706 11.050 8.838 138 HB3 ALA 21 2HB ALA 21 -1.961 12.197 7.718 139 H MET 22 H MET 22 -1.711 11.190 5.145 140 HA MET 22 HA MET 22 -4.350 10.096 4.767 141 HB2 MET 22 2HB MET 22 -4.512 11.322 2.735 142 HB3 MET 22 3HB MET 22 -3.727 12.360 3.909 143 HG2 MET 22 2HG MET 22 -1.591 12.069 2.834 144 HG3 MET 22 3HG MET 22 -2.245 10.829 1.760 145 HE1 MET 22 3HE MET 22 -4.707 12.950 -0.462 146 HE2 MET 22 1HE MET 22 -5.166 12.246 1.086 147 HE3 MET 22 2HE MET 22 -4.157 11.331 -0.036 148 H ILE 23 H ILE 23 -1.127 9.171 3.689 149 HA ILE 23 HA ILE 23 -1.906 7.138 1.851 150 HB ILE 23 HB ILE 23 0.587 7.268 3.632 151 HG12 ILE 23 2HG1 ILE 23 0.262 7.927 0.666 152 HG13 ILE 23 3HG1 ILE 23 0.393 9.118 1.951 153 HG21 ILE 23 1HG2 ILE 23 1.574 5.549 2.133 154 HG22 ILE 23 2HG2 ILE 23 0.035 5.411 1.283 155 HG23 ILE 23 3HG2 ILE 23 0.152 4.931 2.977 156 HD11 ILE 23 3HD1 ILE 23 2.525 7.171 1.087 157 HD12 ILE 23 1HD1 ILE 23 2.666 8.308 2.433 158 HD13 ILE 23 2HD1 ILE 23 2.478 8.909 0.787 159 H LYS 24 H LYS 24 -1.197 7.117 5.355 160 HA LYS 24 HA LYS 24 -1.662 4.465 5.999 161 HB2 LYS 24 2HB LYS 24 -2.128 6.984 7.642 162 HB3 LYS 24 3HB LYS 24 -2.278 5.366 8.323 163 HG2 LYS 24 2HG LYS 24 0.076 4.913 7.854 164 HG3 LYS 24 3HG LYS 24 0.256 6.505 7.102 165 HD2 LYS 24 2HD LYS 24 -0.288 7.594 9.256 166 HD3 LYS 24 3HD LYS 24 -0.515 6.013 10.012 167 HE2 LYS 24 2HE LYS 24 1.833 5.484 9.702 168 HE3 LYS 24 3HE LYS 24 2.086 6.976 8.795 169 HZ1 LYS 24 3HZ LYS 24 1.485 8.215 10.815 170 HZ2 LYS 24 1HZ LYS 24 2.855 7.246 11.035 171 HZ3 LYS 24 2HZ LYS 24 1.365 6.764 11.668 172 H GLU 25 H GLU 25 -4.034 7.131 5.726 173 HA GLU 25 HA GLU 25 -6.223 5.571 6.737 174 HB2 GLU 25 2HB GLU 25 -7.610 7.448 6.439 175 HB3 GLU 25 3HB GLU 25 -6.040 8.152 6.800 176 HG2 GLU 25 2HG GLU 25 -5.730 8.546 4.340 177 HG3 GLU 25 3HG GLU 25 -7.364 7.926 4.082 178 H LEU 26 H LEU 26 -5.112 6.477 3.425 179 HA LEU 26 HA LEU 26 -7.277 5.333 1.991 180 HB2 LEU 26 2HB LEU 26 -4.399 5.899 1.214 181 HB3 LEU 26 3HB LEU 26 -5.542 5.217 0.067 182 HG LEU 26 HG LEU 26 -5.885 7.914 1.445 183 HD11 LEU 26 1HD1 LEU 26 -3.990 7.937 -0.117 184 HD12 LEU 26 2HD1 LEU 26 -5.326 8.923 -0.703 185 HD13 LEU 26 3HD1 LEU 26 -5.033 7.329 -1.409 186 HD21 LEU 26 3HD2 LEU 26 -7.500 6.626 -0.788 187 HD22 LEU 26 1HD2 LEU 26 -7.713 8.266 -0.166 188 HD23 LEU 26 2HD2 LEU 26 -8.034 6.885 0.875 189 H LEU 27 H LEU 27 -4.307 3.912 3.253 190 HA LEU 27 HA LEU 27 -4.634 1.291 2.177 191 HB2 LEU 27 2HB LEU 27 -3.231 2.188 4.730 192 HB3 LEU 27 3HB LEU 27 -3.048 0.605 3.984 193 HG LEU 27 HG LEU 27 -2.211 3.226 2.688 194 HD11 LEU 27 1HD1 LEU 27 -0.488 1.152 4.053 195 HD12 LEU 27 2HD1 LEU 27 -0.836 2.782 4.638 196 HD13 LEU 27 3HD1 LEU 27 0.091 2.562 3.157 197 HD21 LEU 27 3HD2 LEU 27 -1.706 0.368 1.816 198 HD22 LEU 27 1HD2 LEU 27 -1.056 1.818 1.045 199 HD23 LEU 27 2HD2 LEU 27 -2.793 1.522 1.036 200 H ASP 28 H ASP 28 -5.429 2.754 5.303 201 HA ASP 28 HA ASP 28 -6.393 0.436 6.586 202 HB2 ASP 28 2HB ASP 28 -5.485 2.364 7.797 203 HB3 ASP 28 3HB ASP 28 -6.785 3.391 7.217 204 H THR 29 H THR 29 -8.014 2.792 4.576 205 HA THR 29 HA THR 29 -10.697 1.945 5.357 206 HB THR 29 HB THR 29 -11.401 3.713 3.678 207 HG1 THR 29 HG1 THR 29 -9.070 4.996 3.485 208 HG21 THR 29 3HG2 THR 29 -10.714 5.637 5.025 209 HG22 THR 29 1HG2 THR 29 -9.457 4.667 5.798 210 HG23 THR 29 2HG2 THR 29 -11.160 4.287 6.071 211 H ARG 30 H ARG 30 -8.617 1.853 2.429 212 HA ARG 30 HA ARG 30 -10.690 0.334 0.970 213 HB2 ARG 30 2HB ARG 30 -8.126 1.606 -0.083 214 HB3 ARG 30 3HB ARG 30 -9.390 0.864 -1.060 215 HG2 ARG 30 2HG ARG 30 -10.978 2.618 -0.287 216 HG3 ARG 30 3HG ARG 30 -9.671 3.375 0.623 217 HD2 ARG 30 2HD ARG 30 -9.982 4.566 -1.459 218 HD3 ARG 30 3HD ARG 30 -8.436 3.718 -1.522 219 HE ARG 30 HE ARG 30 -9.957 1.940 -2.746 220 HH11 ARG 30 1HH1 ARG 30 -10.009 5.436 -3.194 221 HH12 ARG 30 2HH1 ARG 30 -10.526 5.335 -4.839 222 HH21 ARG 30 1HH2 ARG 30 -10.637 1.829 -4.917 223 HH22 ARG 30 2HH2 ARG 30 -10.887 3.280 -5.817 224 H ILE 31 H ILE 31 -7.171 0.128 1.728 225 HA ILE 31 HA ILE 31 -6.883 -2.227 0.062 226 HB ILE 31 HB ILE 31 -4.846 -0.784 1.810 227 HG12 ILE 31 2HG1 ILE 31 -5.637 0.633 -0.017 228 HG13 ILE 31 3HG1 ILE 31 -3.984 0.135 -0.344 229 HG21 ILE 31 1HG2 ILE 31 -4.333 -2.945 -0.261 230 HG22 ILE 31 2HG2 ILE 31 -4.137 -3.112 1.485 231 HG23 ILE 31 3HG2 ILE 31 -3.092 -2.012 0.584 232 HD11 ILE 31 3HD1 ILE 31 -4.824 -1.537 -1.961 233 HD12 ILE 31 1HD1 ILE 31 -5.307 0.109 -2.363 234 HD13 ILE 31 2HD1 ILE 31 -6.476 -0.994 -1.642 235 H ARG 32 H ARG 32 -6.155 -1.586 3.547 236 HA ARG 32 HA ARG 32 -5.487 -4.116 4.320 237 HB2 ARG 32 2HB ARG 32 -6.899 -2.067 6.073 238 HB3 ARG 32 3HB ARG 32 -6.060 -3.501 6.663 239 HG2 ARG 32 2HG ARG 32 -3.965 -2.571 5.574 240 HG3 ARG 32 3HG ARG 32 -4.855 -1.068 5.324 241 HD2 ARG 32 2HD ARG 32 -3.594 -0.806 7.334 242 HD3 ARG 32 3HD ARG 32 -5.274 -1.036 7.833 243 HE ARG 32 HE ARG 32 -3.706 -3.463 7.734 244 HH11 ARG 32 1HH1 ARG 32 -4.618 -0.768 9.841 245 HH12 ARG 32 2HH1 ARG 32 -4.282 -1.652 11.293 246 HH21 ARG 32 1HH2 ARG 32 -3.325 -4.599 9.629 247 HH22 ARG 32 2HH2 ARG 32 -3.552 -3.831 11.179 248 HA PRO 33 HA PRO 33 -10.233 -5.111 5.570 249 HB2 PRO 33 2HB PRO 33 -11.552 -3.507 3.365 250 HB3 PRO 33 3HB PRO 33 -12.151 -3.893 4.994 251 HG2 PRO 33 2HG PRO 33 -11.243 -1.465 4.507 252 HG3 PRO 33 3HG PRO 33 -10.814 -2.283 6.030 253 HD2 PRO 33 2HD PRO 33 -9.132 -1.923 3.550 254 HD3 PRO 33 3HD PRO 33 -8.672 -1.759 5.258 255 H THR 34 H THR 34 -9.540 -4.355 2.134 256 HA THR 34 HA THR 34 -10.735 -6.641 0.976 257 HB THR 34 HB THR 34 -8.535 -4.824 -0.116 258 HG1 THR 34 HG1 THR 34 -10.126 -3.456 -0.267 259 HG21 THR 34 3HG2 THR 34 -9.286 -5.522 -2.364 260 HG22 THR 34 1HG2 THR 34 -10.413 -6.667 -1.643 261 HG23 THR 34 2HG2 THR 34 -8.673 -6.908 -1.456 262 H VAL 35 H VAL 35 -7.400 -5.973 1.967 263 HA VAL 35 HA VAL 35 -6.258 -8.388 0.923 264 HB VAL 35 HB VAL 35 -5.099 -6.323 2.862 265 HG11 VAL 35 1HG1 VAL 35 -3.843 -8.452 2.992 266 HG12 VAL 35 2HG1 VAL 35 -2.876 -7.179 2.249 267 HG13 VAL 35 3HG1 VAL 35 -3.615 -8.427 1.242 268 HG21 VAL 35 3HG2 VAL 35 -5.726 -5.358 0.684 269 HG22 VAL 35 1HG2 VAL 35 -4.772 -6.587 -0.149 270 HG23 VAL 35 2HG2 VAL 35 -3.972 -5.388 0.871 271 H GLN 36 H GLN 36 -7.537 -7.400 4.074 272 HA GLN 36 HA GLN 36 -6.640 -9.745 5.503 273 HB2 GLN 36 2HB GLN 36 -8.675 -7.603 6.252 274 HB3 GLN 36 3HB GLN 36 -8.200 -8.917 7.328 275 HG2 GLN 36 2HG GLN 36 -5.900 -8.100 7.382 276 HG3 GLN 36 3HG GLN 36 -6.287 -6.854 6.194 277 HE21 GLN 36 1HE2 GLN 36 -5.759 -5.114 7.526 278 HE22 GLN 36 2HE2 GLN 36 -6.651 -4.695 8.938 279 H GLU 37 H GLU 37 -9.453 -8.923 3.573 280 HA GLU 37 HA GLU 37 -10.912 -11.326 4.265 281 HB2 GLU 37 2HB GLU 37 -11.225 -9.429 1.888 282 HB3 GLU 37 3HB GLU 37 -12.292 -10.788 2.220 283 HG2 GLU 37 2HG GLU 37 -11.902 -8.351 3.970 284 HG3 GLU 37 3HG GLU 37 -13.299 -8.692 2.963 285 H ASP 38 H ASP 38 -8.468 -10.348 1.944 286 HA ASP 38 HA ASP 38 -8.539 -12.671 0.269 287 HB2 ASP 38 2HB ASP 38 -7.567 -10.392 -0.359 288 HB3 ASP 38 3HB ASP 38 -6.204 -10.735 0.699 289 H GLY 39 H GLY 39 -7.019 -11.885 3.329 290 HA2 GLY 39 2HA GLY 39 -6.759 -13.941 4.736 291 HA3 GLY 39 3HA GLY 39 -5.756 -14.581 3.444 292 H GLY 40 H GLY 40 -4.733 -11.650 3.159 293 HA2 GLY 40 2HA GLY 40 -2.555 -11.925 5.148 294 HA3 GLY 40 3HA GLY 40 -2.457 -11.096 3.604 295 H ASP 41 H ASP 41 -1.679 -9.199 4.482 296 HA ASP 41 HA ASP 41 -3.549 -7.219 5.177 297 HB2 ASP 41 2HB ASP 41 -3.411 -8.264 7.447 298 HB3 ASP 41 3HB ASP 41 -1.665 -8.042 7.453 299 H VAL 42 H VAL 42 -2.455 -5.092 5.417 300 HA VAL 42 HA VAL 42 0.350 -5.046 4.472 301 HB VAL 42 HB VAL 42 -0.049 -2.981 3.210 302 HG11 VAL 42 1HG1 VAL 42 -1.369 -3.855 1.339 303 HG12 VAL 42 2HG1 VAL 42 -2.070 -5.093 2.385 304 HG13 VAL 42 3HG1 VAL 42 -0.345 -5.122 2.022 305 HG21 VAL 42 3HG2 VAL 42 -1.877 -1.994 4.538 306 HG22 VAL 42 1HG2 VAL 42 -2.992 -3.215 3.922 307 HG23 VAL 42 2HG2 VAL 42 -2.281 -2.027 2.822 308 H ILE 43 H ILE 43 1.648 -4.198 5.964 309 HA ILE 43 HA ILE 43 0.580 -2.411 8.083 310 HB ILE 43 HB ILE 43 3.155 -4.071 8.094 311 HG12 ILE 43 2HG1 ILE 43 1.968 -5.233 10.119 312 HG13 ILE 43 3HG1 ILE 43 0.484 -4.531 9.492 313 HG21 ILE 43 1HG2 ILE 43 3.452 -1.970 9.336 314 HG22 ILE 43 2HG2 ILE 43 3.456 -3.352 10.432 315 HG23 ILE 43 3HG2 ILE 43 2.024 -2.328 10.313 316 HD11 ILE 43 3HD1 ILE 43 0.756 -6.855 8.823 317 HD12 ILE 43 1HD1 ILE 43 2.283 -6.465 8.028 318 HD13 ILE 43 2HD1 ILE 43 0.769 -5.793 7.415 319 H TYR 44 H TYR 44 1.133 -0.288 7.880 320 HA TYR 44 HA TYR 44 2.820 0.647 5.788 321 HB2 TYR 44 2HB TYR 44 0.897 1.969 6.693 322 HB3 TYR 44 3HB TYR 44 1.770 2.196 8.204 323 HD1 TYR 44 HD2 TYR 44 1.867 2.962 4.549 324 HD2 TYR 44 HD1 TYR 44 3.379 4.006 8.409 325 HE1 TYR 44 HE2 TYR 44 2.912 4.968 3.603 326 HE2 TYR 44 HE1 TYR 44 4.417 6.010 7.452 327 HH TYR 44 HH TYR 44 5.189 6.819 5.289 328 H LYS 45 H LYS 45 4.981 0.754 5.770 329 HA LYS 45 HA LYS 45 6.494 0.430 8.296 330 HB2 LYS 45 2HB LYS 45 7.326 -0.286 5.458 331 HB3 LYS 45 3HB LYS 45 8.243 -0.626 6.919 332 HG2 LYS 45 2HG LYS 45 5.462 -1.741 6.661 333 HG3 LYS 45 3HG LYS 45 6.758 -2.487 5.738 334 HD2 LYS 45 2HD LYS 45 6.546 -3.765 7.706 335 HD3 LYS 45 3HD LYS 45 7.994 -2.800 7.935 336 HE2 LYS 45 2HE LYS 45 5.362 -1.875 9.087 337 HE3 LYS 45 3HE LYS 45 6.303 -3.117 9.908 338 HZ1 LYS 45 3HZ LYS 45 7.174 -0.340 9.317 339 HZ2 LYS 45 1HZ LYS 45 8.205 -1.539 9.894 340 HZ3 LYS 45 2HZ LYS 45 6.897 -1.027 10.829 341 H GLY 46 H GLY 46 6.478 2.205 5.161 342 HA2 GLY 46 2HA GLY 46 7.867 4.469 6.277 343 HA3 GLY 46 3HA GLY 46 8.928 3.479 5.283 344 H PHE 47 H PHE 47 8.795 5.889 4.484 345 HA PHE 47 HA PHE 47 7.607 5.770 1.848 346 HB2 PHE 47 2HB PHE 47 5.750 6.779 3.140 347 HB3 PHE 47 3HB PHE 47 6.838 7.974 3.823 348 HD1 PHE 47 HD2 PHE 47 5.569 6.777 0.501 349 HD2 PHE 47 HD1 PHE 47 6.900 10.118 2.817 350 HE1 PHE 47 HE2 PHE 47 4.950 8.298 -1.326 351 HE2 PHE 47 HE1 PHE 47 6.271 11.635 0.982 352 HZ PHE 47 HZ PHE 47 5.298 10.724 -1.092 353 H GLU 48 H GLU 48 9.405 6.244 0.665 354 HA GLU 48 HA GLU 48 11.248 8.387 1.584 355 HB2 GLU 48 2HB GLU 48 12.114 5.825 0.164 356 HB3 GLU 48 3HB GLU 48 13.160 7.101 0.785 357 HG2 GLU 48 2HG GLU 48 12.301 6.550 3.097 358 HG3 GLU 48 3HG GLU 48 11.496 5.149 2.388 359 H ASP 49 H ASP 49 10.667 10.003 0.210 360 HA ASP 49 HA ASP 49 10.749 11.313 -1.633 361 HB2 ASP 49 2HB ASP 49 12.344 9.002 -2.813 362 HB3 ASP 49 3HB ASP 49 12.187 10.574 -3.575 363 H GLY 50 H GLY 50 8.707 8.944 -1.379 364 HA2 GLY 50 2HA GLY 50 6.664 9.205 -2.787 365 HA3 GLY 50 3HA GLY 50 7.711 8.985 -4.177 366 H ILE 51 H ILE 51 9.164 6.911 -2.293 367 HA ILE 51 HA ILE 51 7.646 4.636 -3.312 368 HB ILE 51 HB ILE 51 10.334 4.688 -1.847 369 HG12 ILE 51 2HG1 ILE 51 10.560 5.881 -3.962 370 HG13 ILE 51 3HG1 ILE 51 11.335 4.313 -4.132 371 HG21 ILE 51 1HG2 ILE 51 10.651 2.388 -2.717 372 HG22 ILE 51 2HG2 ILE 51 9.016 2.410 -3.381 373 HG23 ILE 51 3HG2 ILE 51 9.261 2.488 -1.634 374 HD11 ILE 51 3HD1 ILE 51 10.122 4.906 -6.126 375 HD12 ILE 51 1HD1 ILE 51 8.629 5.105 -5.212 376 HD13 ILE 51 2HD1 ILE 51 9.358 3.502 -5.376 377 H VAL 52 H VAL 52 5.929 4.250 -2.094 378 HA VAL 52 HA VAL 52 5.825 4.416 0.791 379 HB VAL 52 HB VAL 52 3.768 3.220 -1.144 380 HG11 VAL 52 1HG1 VAL 52 3.435 4.135 1.738 381 HG12 VAL 52 2HG1 VAL 52 3.447 2.461 1.180 382 HG13 VAL 52 3HG1 VAL 52 2.145 3.544 0.687 383 HG21 VAL 52 3HG2 VAL 52 4.207 5.583 -1.689 384 HG22 VAL 52 1HG2 VAL 52 3.874 6.038 -0.015 385 HG23 VAL 52 2HG2 VAL 52 2.588 5.373 -1.022 386 H GLN 53 H GLN 53 6.583 2.779 2.044 387 HA GLN 53 HA GLN 53 6.998 0.110 0.826 388 HB2 GLN 53 2HB GLN 53 8.530 1.681 2.923 389 HB3 GLN 53 3HB GLN 53 8.744 -0.061 2.755 390 HG2 GLN 53 2HG GLN 53 9.581 0.134 0.532 391 HG3 GLN 53 3HG GLN 53 9.034 1.803 0.389 392 HE21 GLN 53 1HE2 GLN 53 10.248 3.431 1.264 393 HE22 GLN 53 2HE2 GLN 53 11.868 3.206 1.813 394 H LEU 54 H LEU 54 5.800 -1.470 1.491 395 HA LEU 54 HA LEU 54 4.290 -1.338 4.036 396 HB2 LEU 54 2HB LEU 54 3.270 -2.347 1.343 397 HB3 LEU 54 3HB LEU 54 2.360 -2.345 2.848 398 HG LEU 54 HG LEU 54 3.238 0.112 1.282 399 HD11 LEU 54 1HD1 LEU 54 0.480 -1.081 1.687 400 HD12 LEU 54 2HD1 LEU 54 1.423 -1.094 0.192 401 HD13 LEU 54 3HD1 LEU 54 0.849 0.433 0.852 402 HD21 LEU 54 3HD2 LEU 54 3.257 0.628 3.655 403 HD22 LEU 54 1HD2 LEU 54 1.640 -0.057 3.856 404 HD23 LEU 54 2HD2 LEU 54 1.873 1.401 2.886 405 H LYS 55 H LYS 55 4.077 -3.269 5.101 406 HA LYS 55 HA LYS 55 5.656 -5.559 4.228 407 HB2 LYS 55 2HB LYS 55 5.765 -4.819 6.590 408 HB3 LYS 55 3HB LYS 55 4.034 -5.070 6.772 409 HG2 LYS 55 2HG LYS 55 4.350 -7.498 6.414 410 HG3 LYS 55 3HG LYS 55 6.090 -7.242 6.219 411 HD2 LYS 55 2HD LYS 55 6.249 -6.427 8.542 412 HD3 LYS 55 3HD LYS 55 4.502 -6.600 8.738 413 HE2 LYS 55 2HE LYS 55 4.724 -9.043 8.402 414 HE3 LYS 55 3HE LYS 55 6.476 -8.853 8.253 415 HZ1 LYS 55 3HZ LYS 55 6.540 -7.984 10.507 416 HZ2 LYS 55 1HZ LYS 55 5.823 -9.513 10.495 417 HZ3 LYS 55 2HZ LYS 55 4.864 -8.135 10.650 418 H LEU 56 H LEU 56 4.623 -6.705 2.694 419 HA LEU 56 HA LEU 56 1.730 -7.127 2.724 420 HB2 LEU 56 2HB LEU 56 3.789 -8.277 0.794 421 HB3 LEU 56 3HB LEU 56 2.046 -8.268 0.582 422 HG LEU 56 HG LEU 56 3.928 -5.882 0.442 423 HD11 LEU 56 1HD1 LEU 56 3.163 -5.701 -1.883 424 HD12 LEU 56 2HD1 LEU 56 2.179 -7.155 -1.681 425 HD13 LEU 56 3HD1 LEU 56 3.939 -7.250 -1.563 426 HD21 LEU 56 3HD2 LEU 56 0.901 -5.833 0.272 427 HD22 LEU 56 1HD2 LEU 56 1.981 -4.483 -0.102 428 HD23 LEU 56 2HD2 LEU 56 1.901 -5.117 1.539 429 H GLN 57 H GLN 57 0.820 -8.913 3.613 430 HA GLN 57 HA GLN 57 2.551 -10.887 4.950 431 HB2 GLN 57 2HB GLN 57 -0.411 -10.269 5.253 432 HB3 GLN 57 3HB GLN 57 0.455 -11.487 6.188 433 HG2 GLN 57 2HG GLN 57 1.140 -8.534 6.202 434 HG3 GLN 57 3HG GLN 57 0.082 -9.312 7.374 435 HE21 GLN 57 1HE2 GLN 57 1.382 -8.813 9.102 436 HE22 GLN 57 2HE2 GLN 57 2.912 -9.545 9.404 437 H GLY 58 H GLY 58 1.647 -13.166 5.090 438 HA2 GLY 58 2HA GLY 58 1.699 -14.456 2.614 439 HA3 GLY 58 3HA GLY 58 1.201 -15.189 4.128 440 H SER 59 H SER 59 0.095 -15.990 1.757 441 HA SER 59 HA SER 59 -1.825 -16.512 0.715 442 HB2 SER 59 2HB SER 59 -3.072 -16.334 2.847 443 HB3 SER 59 3HB SER 59 -3.291 -14.604 2.587 444 HG SER 59 HG SER 59 -4.706 -15.017 0.977 445 H CYS 60 H CYS 60 -1.428 -13.032 1.334 446 HA CYS 60 HA CYS 60 -2.505 -12.274 -1.256 447 HB2 CYS 60 2HB CYS 60 -1.116 -10.604 0.883 448 HB3 CYS 60 3HB CYS 60 -2.044 -9.986 -0.491 449 HG CYS 60 HG CYS 60 -4.094 -11.983 0.893 450 H THR 61 H THR 61 0.484 -13.347 -0.080 451 HA THR 61 HA THR 61 2.099 -12.017 -2.171 452 HB THR 61 HB THR 61 4.046 -12.841 -0.718 453 HG1 THR 61 HG1 THR 61 3.438 -13.428 1.453 454 HG21 THR 61 3HG2 THR 61 2.051 -10.966 0.609 455 HG22 THR 61 1HG2 THR 61 3.258 -10.505 -0.598 456 HG23 THR 61 2HG2 THR 61 3.770 -11.085 0.987 457 H SER 62 H SER 62 0.295 -14.426 -2.510 458 HA SER 62 HA SER 62 1.885 -16.773 -2.781 459 HB2 SER 62 2HB SER 62 -0.740 -16.091 -4.172 460 HB3 SER 62 3HB SER 62 -0.051 -17.705 -3.970 461 HG SER 62 HG SER 62 -1.581 -16.296 -2.266 462 H CYS 63 H CYS 63 3.738 -16.317 -3.919 463 HA CYS 63 HA CYS 63 5.144 -16.314 -5.685 464 HB2 CYS 63 2HB CYS 63 2.689 -16.286 -7.488 465 HB3 CYS 63 3HB CYS 63 4.340 -16.608 -8.005 466 HG CYS 63 HG CYS 63 4.530 -18.932 -6.350 467 HA PRO 64 HA PRO 64 6.099 -12.032 -6.332 468 HB2 PRO 64 2HB PRO 64 6.967 -12.704 -9.153 469 HB3 PRO 64 3HB PRO 64 7.850 -11.852 -7.864 470 HG2 PRO 64 2HG PRO 64 8.469 -14.366 -8.414 471 HG3 PRO 64 3HG PRO 64 8.386 -13.818 -6.723 472 HD2 PRO 64 2HD PRO 64 6.378 -15.439 -8.281 473 HD3 PRO 64 3HD PRO 64 6.916 -15.627 -6.596 474 H SER 65 H SER 65 4.121 -13.553 -8.822 475 HA SER 65 HA SER 65 3.264 -11.319 -10.277 476 HB2 SER 65 2HB SER 65 2.820 -13.650 -10.981 477 HB3 SER 65 3HB SER 65 1.711 -13.858 -9.625 478 HG SER 65 HG SER 65 1.118 -12.989 -12.018 479 H SER 66 H SER 66 1.600 -12.938 -7.513 480 HA SER 66 HA SER 66 -0.514 -11.096 -7.254 481 HB2 SER 66 2HB SER 66 0.681 -12.957 -5.156 482 HB3 SER 66 3HB SER 66 -0.895 -12.163 -5.032 483 HG SER 66 HG SER 66 -0.633 -14.450 -5.954 484 H ILE 67 H ILE 67 2.670 -11.204 -5.744 485 HA ILE 67 HA ILE 67 2.442 -9.169 -3.843 486 HB ILE 67 HB ILE 67 4.899 -10.014 -5.451 487 HG12 ILE 67 2HG1 ILE 67 3.966 -10.890 -2.678 488 HG13 ILE 67 3HG1 ILE 67 3.861 -11.858 -4.142 489 HG21 ILE 67 1HG2 ILE 67 4.802 -8.388 -2.881 490 HG22 ILE 67 2HG2 ILE 67 5.295 -7.797 -4.469 491 HG23 ILE 67 3HG2 ILE 67 6.267 -9.013 -3.642 492 HD11 ILE 67 3HD1 ILE 67 5.701 -12.571 -2.748 493 HD12 ILE 67 1HD1 ILE 67 6.409 -10.955 -2.801 494 HD13 ILE 67 2HD1 ILE 67 6.298 -11.924 -4.275 495 H ILE 68 H ILE 68 3.654 -8.960 -7.212 496 HA ILE 68 HA ILE 68 4.132 -6.148 -7.179 497 HB ILE 68 HB ILE 68 3.937 -8.084 -9.539 498 HG12 ILE 68 2HG1 ILE 68 6.418 -6.961 -8.144 499 HG13 ILE 68 3HG1 ILE 68 5.775 -8.575 -7.881 500 HG21 ILE 68 1HG2 ILE 68 5.133 -6.378 -10.872 501 HG22 ILE 68 2HG2 ILE 68 5.043 -5.253 -9.517 502 HG23 ILE 68 3HG2 ILE 68 3.565 -5.780 -10.324 503 HD11 ILE 68 3HD1 ILE 68 7.680 -8.640 -9.359 504 HD12 ILE 68 1HD1 ILE 68 6.899 -7.518 -10.475 505 HD13 ILE 68 2HD1 ILE 68 6.224 -9.131 -10.224 506 H THR 69 H THR 69 1.392 -8.141 -8.275 507 HA THR 69 HA THR 69 -0.068 -6.126 -9.644 508 HB THR 69 HB THR 69 -1.137 -8.662 -8.305 509 HG1 THR 69 HG1 THR 69 -0.180 -9.668 -9.881 510 HG21 THR 69 3HG2 THR 69 -2.950 -8.550 -9.978 511 HG22 THR 69 1HG2 THR 69 -2.301 -7.035 -10.602 512 HG23 THR 69 2HG2 THR 69 -2.960 -7.103 -8.965 513 H LEU 70 H LEU 70 -0.213 -7.350 -6.286 514 HA LEU 70 HA LEU 70 -2.278 -5.671 -5.315 515 HB2 LEU 70 2HB LEU 70 -1.502 -7.689 -4.097 516 HB3 LEU 70 3HB LEU 70 0.063 -6.943 -3.830 517 HG LEU 70 HG LEU 70 -1.025 -5.215 -2.374 518 HD11 LEU 70 1HD1 LEU 70 -3.343 -5.504 -1.619 519 HD12 LEU 70 2HD1 LEU 70 -3.566 -6.813 -2.783 520 HD13 LEU 70 3HD1 LEU 70 -3.249 -5.169 -3.347 521 HD21 LEU 70 3HD2 LEU 70 -1.465 -6.676 -0.441 522 HD22 LEU 70 1HD2 LEU 70 -0.037 -7.197 -1.336 523 HD23 LEU 70 2HD2 LEU 70 -1.558 -8.078 -1.510 524 H LYS 71 H LYS 71 1.248 -5.389 -5.314 525 HA LYS 71 HA LYS 71 1.653 -2.978 -3.981 526 HB2 LYS 71 2HB LYS 71 3.405 -4.647 -4.460 527 HB3 LYS 71 3HB LYS 71 3.287 -4.337 -6.180 528 HG2 LYS 71 2HG LYS 71 4.061 -2.089 -4.336 529 HG3 LYS 71 3HG LYS 71 5.257 -3.320 -4.715 530 HD2 LYS 71 2HD LYS 71 3.802 -1.596 -6.764 531 HD3 LYS 71 3HD LYS 71 5.438 -1.318 -6.178 532 HE2 LYS 71 2HE LYS 71 6.115 -3.534 -7.105 533 HE3 LYS 71 3HE LYS 71 4.485 -3.725 -7.765 534 HZ1 LYS 71 3HZ LYS 71 4.851 -1.696 -9.080 535 HZ2 LYS 71 1HZ LYS 71 5.991 -2.892 -9.442 536 HZ3 LYS 71 2HZ LYS 71 6.423 -1.575 -8.471 537 H ASN 72 H ASN 72 0.981 -3.602 -7.411 538 HA ASN 72 HA ASN 72 1.322 -0.873 -8.278 539 HB2 ASN 72 2HB ASN 72 0.274 -3.372 -9.665 540 HB3 ASN 72 3HB ASN 72 0.249 -1.797 -10.455 541 HD21 ASN 72 1HD2 ASN 72 1.735 -4.231 -11.151 542 HD22 ASN 72 2HD2 ASN 72 3.392 -3.743 -11.239 543 H GLY 73 H GLY 73 -1.450 -2.900 -7.373 544 HA2 GLY 73 2HA GLY 73 -3.538 -1.158 -8.130 545 HA3 GLY 73 3HA GLY 73 -3.606 -2.334 -6.825 546 H ILE 74 H ILE 74 -1.726 -1.463 -5.110 547 HA ILE 74 HA ILE 74 -2.882 0.667 -3.654 548 HB ILE 74 HB ILE 74 -0.103 -0.591 -3.375 549 HG12 ILE 74 2HG1 ILE 74 -2.661 -1.267 -1.842 550 HG13 ILE 74 3HG1 ILE 74 -2.016 -2.221 -3.168 551 HG21 ILE 74 1HG2 ILE 74 -0.188 1.575 -2.233 552 HG22 ILE 74 2HG2 ILE 74 -0.126 0.267 -1.054 553 HG23 ILE 74 3HG2 ILE 74 -1.652 1.090 -1.374 554 HD11 ILE 74 3HD1 ILE 74 -1.475 -3.252 -1.072 555 HD12 ILE 74 1HD1 ILE 74 -0.706 -1.775 -0.488 556 HD13 ILE 74 2HD1 ILE 74 0.005 -2.671 -1.833 557 H GLN 75 H GLN 75 -0.102 0.427 -5.845 558 HA GLN 75 HA GLN 75 1.114 2.915 -5.530 559 HB2 GLN 75 2HB GLN 75 2.184 1.109 -6.784 560 HB3 GLN 75 3HB GLN 75 0.909 1.128 -7.994 561 HG2 GLN 75 2HG GLN 75 1.642 3.464 -8.602 562 HG3 GLN 75 3HG GLN 75 3.017 3.247 -7.523 563 HE21 GLN 75 1HE2 GLN 75 4.672 1.784 -8.141 564 HE22 GLN 75 2HE2 GLN 75 4.807 1.195 -9.756 565 H ASN 76 H ASN 76 -1.237 2.006 -8.129 566 HA ASN 76 HA ASN 76 -1.431 4.652 -9.154 567 HB2 ASN 76 2HB ASN 76 -3.244 2.243 -9.588 568 HB3 ASN 76 3HB ASN 76 -3.399 3.756 -10.473 569 HD21 ASN 76 1HD2 ASN 76 -1.695 0.793 -10.221 570 HD22 ASN 76 2HD2 ASN 76 -0.628 1.034 -11.554 571 H MET 77 H MET 77 -3.298 2.900 -6.703 572 HA MET 77 HA MET 77 -5.502 4.673 -6.491 573 HB2 MET 77 2HB MET 77 -5.383 2.398 -5.406 574 HB3 MET 77 3HB MET 77 -4.219 3.040 -4.259 575 HG2 MET 77 2HG MET 77 -6.074 4.755 -3.642 576 HG3 MET 77 3HG MET 77 -7.163 3.652 -4.485 577 HE1 MET 77 3HE MET 77 -4.749 2.630 -0.685 578 HE2 MET 77 1HE MET 77 -4.771 4.213 -1.462 579 HE3 MET 77 2HE MET 77 -3.957 2.854 -2.245 580 H LEU 78 H LEU 78 -2.426 4.524 -4.642 581 HA LEU 78 HA LEU 78 -2.840 6.860 -3.102 582 HB2 LEU 78 2HB LEU 78 -0.276 5.385 -3.828 583 HB3 LEU 78 3HB LEU 78 -0.333 6.719 -2.687 584 HG LEU 78 HG LEU 78 -1.787 4.065 -2.318 585 HD11 LEU 78 1HD1 LEU 78 -0.116 3.570 -0.602 586 HD12 LEU 78 2HD1 LEU 78 0.732 5.076 -0.966 587 HD13 LEU 78 3HD1 LEU 78 0.647 3.793 -2.175 588 HD21 LEU 78 3HD2 LEU 78 -2.961 5.897 -1.211 589 HD22 LEU 78 1HD2 LEU 78 -1.470 6.407 -0.410 590 HD23 LEU 78 2HD2 LEU 78 -2.200 4.846 -0.022 591 H GLN 79 H GLN 79 -1.257 6.319 -6.242 592 HA GLN 79 HA GLN 79 -0.101 8.905 -6.531 593 HB2 GLN 79 2HB GLN 79 -0.737 6.712 -8.545 594 HB3 GLN 79 3HB GLN 79 -0.016 8.244 -9.038 595 HG2 GLN 79 2HG GLN 79 1.919 7.840 -7.618 596 HG3 GLN 79 3HG GLN 79 1.209 6.344 -7.018 597 HE21 GLN 79 1HE2 GLN 79 3.734 6.871 -8.476 598 HE22 GLN 79 2HE2 GLN 79 3.690 5.803 -9.833 599 H PHE 80 H PHE 80 -3.267 7.608 -7.264 600 HA PHE 80 HA PHE 80 -4.253 9.584 -9.011 601 HB2 PHE 80 2HB PHE 80 -5.379 7.395 -8.663 602 HB3 PHE 80 3HB PHE 80 -5.773 7.845 -7.010 603 HD1 PHE 80 HD1 PHE 80 -6.499 8.572 -10.583 604 HD2 PHE 80 HD2 PHE 80 -7.715 9.220 -6.531 605 HE1 PHE 80 HE1 PHE 80 -8.624 9.547 -11.363 606 HE2 PHE 80 HE2 PHE 80 -9.831 10.195 -7.321 607 HZ PHE 80 HZ PHE 80 -10.288 10.359 -9.738 608 H TYR 81 H TYR 81 -4.348 9.316 -5.454 609 HA TYR 81 HA TYR 81 -5.715 11.884 -5.148 610 HB2 TYR 81 2HB TYR 81 -4.721 9.890 -3.064 611 HB3 TYR 81 3HB TYR 81 -5.687 11.323 -2.718 612 HD1 TYR 81 HD1 TYR 81 -8.020 11.497 -3.890 613 HD2 TYR 81 HD2 TYR 81 -5.842 7.834 -3.549 614 HE1 TYR 81 HE1 TYR 81 -10.087 10.226 -4.282 615 HE2 TYR 81 HE2 TYR 81 -7.912 6.566 -3.940 616 HH TYR 81 HH TYR 81 -10.783 8.031 -5.070 617 H ILE 82 H ILE 82 -2.517 10.555 -4.854 618 HA ILE 82 HA ILE 82 -1.403 13.014 -3.611 619 HB ILE 82 HB ILE 82 -0.331 10.187 -3.172 620 HG12 ILE 82 2HG1 ILE 82 -2.073 11.688 -1.171 621 HG13 ILE 82 3HG1 ILE 82 -2.699 10.456 -2.258 622 HG21 ILE 82 1HG2 ILE 82 1.289 12.004 -2.804 623 HG22 ILE 82 2HG2 ILE 82 0.900 11.189 -1.288 624 HG23 ILE 82 3HG2 ILE 82 0.188 12.762 -1.647 625 HD11 ILE 82 3HD1 ILE 82 -2.309 9.535 -0.075 626 HD12 ILE 82 1HD1 ILE 82 -0.619 10.038 -0.117 627 HD13 ILE 82 2HD1 ILE 82 -1.205 8.807 -1.240 628 HA PRO 83 HA PRO 83 0.951 12.460 -7.553 629 HB2 PRO 83 2HB PRO 83 1.839 15.027 -7.808 630 HB3 PRO 83 3HB PRO 83 0.150 14.587 -8.145 631 HG2 PRO 83 2HG PRO 83 1.304 15.828 -5.664 632 HG3 PRO 83 3HG PRO 83 -0.167 16.273 -6.558 633 HD2 PRO 83 2HD PRO 83 -0.216 14.721 -4.296 634 HD3 PRO 83 3HD PRO 83 -1.430 14.579 -5.589 635 H GLU 84 H GLU 84 1.956 12.937 -4.388 636 HA GLU 84 HA GLU 84 4.768 13.371 -4.796 637 HB2 GLU 84 2HB GLU 84 3.401 12.409 -2.249 638 HB3 GLU 84 3HB GLU 84 4.956 13.218 -2.387 639 HG2 GLU 84 2HG GLU 84 2.215 14.428 -2.840 640 HG3 GLU 84 3HG GLU 84 3.329 14.785 -1.526 641 H VAL 85 H VAL 85 2.663 10.606 -4.547 642 HA VAL 85 HA VAL 85 4.645 8.668 -3.829 643 HB VAL 85 HB VAL 85 1.857 8.258 -5.016 644 HG11 VAL 85 1HG1 VAL 85 3.682 6.207 -3.701 645 HG12 VAL 85 2HG1 VAL 85 3.247 6.258 -5.411 646 HG13 VAL 85 3HG1 VAL 85 2.010 5.925 -4.197 647 HG21 VAL 85 3HG2 VAL 85 1.158 7.764 -2.702 648 HG22 VAL 85 1HG2 VAL 85 1.804 9.402 -2.837 649 HG23 VAL 85 2HG2 VAL 85 2.789 8.119 -2.128 650 H GLU 86 H GLU 86 6.205 8.052 -5.132 651 HA GLU 86 HA GLU 86 6.140 8.084 -8.028 652 HB2 GLU 86 2HB GLU 86 8.231 7.249 -5.966 653 HB3 GLU 86 3HB GLU 86 8.492 7.069 -7.695 654 HG2 GLU 86 2HG GLU 86 7.952 9.707 -6.301 655 HG3 GLU 86 3HG GLU 86 9.550 9.106 -6.734 656 H GLY 87 H GLY 87 5.933 5.766 -5.392 657 HA2 GLY 87 2HA GLY 87 4.582 3.788 -6.858 658 HA3 GLY 87 3HA GLY 87 6.299 3.379 -6.846 659 H VAL 88 H VAL 88 5.378 1.493 -5.736 660 HA VAL 88 HA VAL 88 5.400 1.843 -2.795 661 HB VAL 88 HB VAL 88 3.505 -0.028 -4.340 662 HG11 VAL 88 1HG1 VAL 88 2.533 -0.675 -2.161 663 HG12 VAL 88 2HG1 VAL 88 3.746 0.298 -1.325 664 HG13 VAL 88 3HG1 VAL 88 4.241 -1.118 -2.253 665 HG21 VAL 88 3HG2 VAL 88 2.844 2.383 -2.615 666 HG22 VAL 88 1HG2 VAL 88 1.665 1.310 -3.379 667 HG23 VAL 88 2HG2 VAL 88 2.732 2.303 -4.373 668 H GLU 89 H GLU 89 6.178 -0.181 -1.702 669 HA GLU 89 HA GLU 89 7.546 -2.168 -3.367 670 HB2 GLU 89 2HB GLU 89 9.219 -0.343 -2.886 671 HB3 GLU 89 3HB GLU 89 8.983 -0.601 -1.157 672 HG2 GLU 89 2HG GLU 89 9.827 -2.920 -1.396 673 HG3 GLU 89 3HG GLU 89 10.063 -2.655 -3.124 674 H GLN 90 H GLN 90 7.664 -4.176 -2.360 675 HA GLN 90 HA GLN 90 6.289 -4.598 0.162 676 HB2 GLN 90 2HB GLN 90 6.048 -6.264 -1.677 677 HB3 GLN 90 3HB GLN 90 7.782 -6.573 -1.633 678 HG2 GLN 90 2HG GLN 90 7.463 -7.307 0.802 679 HG3 GLN 90 3HG GLN 90 5.729 -7.230 0.506 680 HE21 GLN 90 1HE2 GLN 90 5.417 -9.427 0.875 681 HE22 GLN 90 2HE2 GLN 90 6.004 -10.654 -0.188 682 H VAL 91 H VAL 91 7.376 -4.253 2.013 683 HA VAL 91 HA VAL 91 10.122 -5.311 2.297 684 HB VAL 91 HB VAL 91 10.385 -3.606 4.201 685 HG11 VAL 91 1HG1 VAL 91 11.094 -1.772 2.695 686 HG12 VAL 91 2HG1 VAL 91 10.191 -2.511 1.369 687 HG13 VAL 91 3HG1 VAL 91 11.580 -3.348 2.065 688 HG21 VAL 91 3HG2 VAL 91 8.032 -2.270 2.825 689 HG22 VAL 91 1HG2 VAL 91 9.041 -1.535 4.077 690 HG23 VAL 91 2HG2 VAL 91 8.044 -2.939 4.458 691 H MET 92 H MET 92 9.875 -7.171 3.307 692 HA MET 92 HA MET 92 7.745 -7.656 5.250 693 HB2 MET 92 2HB MET 92 9.911 -9.494 4.130 694 HB3 MET 92 3HB MET 92 8.721 -9.994 5.324 695 HG2 MET 92 2HG MET 92 6.916 -9.498 3.696 696 HG3 MET 92 3HG MET 92 8.145 -9.080 2.500 697 HE1 MET 92 3HE MET 92 7.709 -13.340 4.269 698 HE2 MET 92 1HE MET 92 6.736 -11.974 4.804 699 HE3 MET 92 2HE MET 92 8.462 -12.025 5.172 700 H ASP 93 H ASP 93 8.311 -6.358 7.007 701 HA ASP 93 HA ASP 93 10.809 -6.867 8.431 702 HB2 ASP 93 2HB ASP 93 8.407 -5.104 9.076 703 HB3 ASP 93 3HB ASP 93 9.782 -5.292 10.156 704 H ASP 94 H ASP 94 10.169 -9.135 8.264 705 HA ASP 94 HA ASP 94 8.453 -10.137 10.443 706 HB2 ASP 94 2HB ASP 94 8.098 -11.114 8.192 707 HB3 ASP 94 3HB ASP 94 9.806 -11.511 8.061 708 H GLU 95 H GLU 95 11.624 -10.787 8.982 709 HA GLU 95 HA GLU 95 12.942 -10.767 11.630 710 HB2 GLU 95 2HB GLU 95 13.284 -12.817 10.211 711 HB3 GLU 95 3HB GLU 95 13.979 -11.813 8.947 712 HG2 GLU 95 2HG GLU 95 15.705 -13.004 10.254 713 HG3 GLU 95 3HG GLU 95 15.883 -11.256 10.374 714 H SER 96 H SER 96 12.593 -9.172 8.546 715 HA SER 96 HA SER 96 13.181 -7.147 7.757 716 HB2 SER 96 2HB SER 96 12.434 -6.360 10.022 717 HB3 SER 96 3HB SER 96 14.094 -6.495 10.597 718 HG SER 96 HG SER 96 13.231 -4.840 8.448 719 H ASP 97 H ASP 97 15.139 -9.401 7.883 720 HA ASP 97 HA ASP 97 17.773 -8.241 8.164 721 HB2 ASP 97 2HB ASP 97 17.418 -10.534 8.913 722 HB3 ASP 97 3HB ASP 97 16.814 -11.009 7.326 Start of MODEL 15 1 H1 MET 1 1H MET 1 -21.069 28.238 20.238 2 H2 MET 1 2H MET 1 -22.576 27.562 19.893 3 H3 MET 1 3H MET 1 -21.748 27.098 21.290 4 HA MET 1 HA MET 1 -23.569 28.590 21.771 5 HB2 MET 1 2HB MET 1 -22.287 30.239 23.141 6 HB3 MET 1 3HB MET 1 -21.685 28.599 23.310 7 HG2 MET 1 2HG MET 1 -19.802 29.138 21.800 8 HG3 MET 1 3HG MET 1 -20.408 30.792 21.653 9 HE1 MET 1 3HE MET 1 -17.886 31.599 22.454 10 HE2 MET 1 1HE MET 1 -17.391 29.918 22.677 11 HE3 MET 1 2HE MET 1 -17.172 31.084 23.981 12 H GLY 2 H GLY 2 -24.094 31.020 21.876 13 HA2 GLY 2 2HA GLY 2 -24.712 31.955 19.305 14 HA3 GLY 2 3HA GLY 2 -24.827 32.893 20.785 15 H HIS 3 H HIS 3 -22.130 32.869 21.531 16 HA HIS 3 HA HIS 3 -20.952 34.933 20.018 17 HB2 HIS 3 2HB HIS 3 -20.446 34.423 22.446 18 HB3 HIS 3 3HB HIS 3 -19.542 33.003 21.933 19 HD1 HIS 3 HD1 HIS 3 -17.131 33.377 21.206 20 HD2 HIS 3 HD2 HIS 3 -19.241 36.928 21.680 21 HE1 HIS 3 HE1 HIS 3 -15.424 35.209 21.041 22 HE2 HIS 3 HE2 HIS 3 -16.706 37.321 21.508 23 H HIS 4 H HIS 4 -19.915 34.806 18.113 24 HA HIS 4 HA HIS 4 -19.141 32.277 16.901 25 HB2 HIS 4 2HB HIS 4 -18.823 35.143 15.878 26 HB3 HIS 4 3HB HIS 4 -18.525 33.689 14.933 27 HD1 HIS 4 HD1 HIS 4 -20.708 36.065 14.492 28 HD2 HIS 4 HD2 HIS 4 -21.400 32.155 15.717 29 HE1 HIS 4 HE1 HIS 4 -23.088 35.574 13.872 30 HE2 HIS 4 HE2 HIS 4 -23.525 33.267 14.770 31 H HIS 5 H HIS 5 -16.972 31.961 16.002 32 HA HIS 5 HA HIS 5 -14.776 33.459 17.283 33 HB2 HIS 5 2HB HIS 5 -13.550 31.356 17.784 34 HB3 HIS 5 3HB HIS 5 -15.056 31.469 18.687 35 HD1 HIS 5 HD1 HIS 5 -13.240 29.347 16.277 36 HD2 HIS 5 HD2 HIS 5 -17.088 29.612 17.800 37 HE1 HIS 5 HE1 HIS 5 -14.345 27.177 15.694 38 HE2 HIS 5 HE2 HIS 5 -16.728 27.454 16.449 39 H HIS 6 H HIS 6 -12.898 33.555 16.088 40 HA HIS 6 HA HIS 6 -13.053 32.670 13.259 41 HB2 HIS 6 2HB HIS 6 -11.645 35.138 14.393 42 HB3 HIS 6 3HB HIS 6 -11.693 34.664 12.696 43 HD1 HIS 6 HD1 HIS 6 -13.470 36.670 15.153 44 HD2 HIS 6 HD2 HIS 6 -14.450 34.749 11.607 45 HE1 HIS 6 HE1 HIS 6 -15.642 37.672 14.423 46 HE2 HIS 6 HE2 HIS 6 -16.303 36.355 12.386 47 H HIS 7 H HIS 7 -10.962 32.287 12.233 48 HA HIS 7 HA HIS 7 -8.579 31.854 13.760 49 HB2 HIS 7 2HB HIS 7 -8.438 29.372 13.479 50 HB3 HIS 7 3HB HIS 7 -9.754 29.844 14.542 51 HD1 HIS 7 HD1 HIS 7 -9.024 27.887 11.534 52 HD2 HIS 7 HD2 HIS 7 -12.384 29.604 13.286 53 HE1 HIS 7 HE1 HIS 7 -11.002 26.726 10.506 54 HE2 HIS 7 HE2 HIS 7 -13.010 27.826 11.534 55 H HIS 8 H HIS 8 -6.846 30.889 12.403 56 HA HIS 8 HA HIS 8 -7.052 31.841 9.641 57 HB2 HIS 8 2HB HIS 8 -4.677 30.883 11.304 58 HB3 HIS 8 3HB HIS 8 -4.551 31.394 9.623 59 HD1 HIS 8 HD1 HIS 8 -3.285 33.565 9.812 60 HD2 HIS 8 HD2 HIS 8 -6.406 33.357 12.547 61 HE1 HIS 8 HE1 HIS 8 -3.391 35.820 10.899 62 HE2 HIS 8 HE2 HIS 8 -5.377 35.710 12.432 63 H SER 9 H SER 9 -6.848 30.551 7.848 64 HA SER 9 HA SER 9 -7.663 27.793 8.145 65 HB2 SER 9 2HB SER 9 -7.804 27.934 5.592 66 HB3 SER 9 3HB SER 9 -8.817 29.073 6.480 67 HG SER 9 HG SER 9 -7.850 30.303 5.002 68 H HIS 10 H HIS 10 -6.338 26.101 8.175 69 HA HIS 10 HA HIS 10 -3.486 26.352 7.698 70 HB2 HIS 10 2HB HIS 10 -5.146 23.941 8.563 71 HB3 HIS 10 3HB HIS 10 -3.388 23.992 8.521 72 HD1 HIS 10 HD1 HIS 10 -2.214 25.551 10.307 73 HD2 HIS 10 HD2 HIS 10 -6.296 25.048 10.836 74 HE1 HIS 10 HE1 HIS 10 -2.690 26.342 12.638 75 HE2 HIS 10 HE2 HIS 10 -5.129 25.833 12.995 76 H MET 11 H MET 11 -3.528 26.805 5.464 77 HA MET 11 HA MET 11 -4.457 24.764 3.565 78 HB2 MET 11 2HB MET 11 -3.202 27.510 3.096 79 HB3 MET 11 3HB MET 11 -3.846 26.464 1.839 80 HG2 MET 11 2HG MET 11 -5.510 27.635 4.083 81 HG3 MET 11 3HG MET 11 -5.352 28.347 2.474 82 HE1 MET 11 3HE MET 11 -8.981 26.973 2.258 83 HE2 MET 11 1HE MET 11 -7.920 28.353 1.972 84 HE3 MET 11 2HE MET 11 -8.202 27.781 3.619 85 H GLY 12 H GLY 12 -2.934 23.036 3.795 86 HA2 GLY 12 2HA GLY 12 -0.714 23.041 2.143 87 HA3 GLY 12 3HA GLY 12 -0.077 23.444 3.732 88 H SER 13 H SER 13 0.397 21.122 2.019 89 HA SER 13 HA SER 13 0.508 19.072 3.943 90 HB2 SER 13 2HB SER 13 -1.020 17.413 2.734 91 HB3 SER 13 3HB SER 13 -1.845 18.714 3.578 92 HG SER 13 HG SER 13 -1.407 19.595 1.146 93 H GLU 14 H GLU 14 2.462 20.098 2.699 94 HA GLU 14 HA GLU 14 2.935 19.258 -0.008 95 HB2 GLU 14 2HB GLU 14 5.252 20.398 0.489 96 HB3 GLU 14 3HB GLU 14 3.810 21.382 0.349 97 HG2 GLU 14 2HG GLU 14 4.449 20.471 3.117 98 HG3 GLU 14 3HG GLU 14 5.625 21.583 2.405 99 H GLU 15 H GLU 15 5.215 18.809 2.776 100 HA GLU 15 HA GLU 15 5.958 16.152 1.688 101 HB2 GLU 15 2HB GLU 15 8.366 16.733 1.969 102 HB3 GLU 15 3HB GLU 15 7.571 17.753 0.773 103 HG2 GLU 15 2HG GLU 15 7.449 19.608 2.341 104 HG3 GLU 15 3HG GLU 15 8.067 18.598 3.647 105 H ASP 16 H ASP 16 4.591 17.438 4.174 106 HA ASP 16 HA ASP 16 6.228 16.627 6.425 107 HB2 ASP 16 2HB ASP 16 3.313 17.543 6.281 108 HB3 ASP 16 3HB ASP 16 4.231 17.336 7.771 109 H ASP 17 H ASP 17 4.820 15.330 8.192 110 HA ASP 17 HA ASP 17 4.504 12.651 7.216 111 HB2 ASP 17 2HB ASP 17 4.141 12.017 9.505 112 HB3 ASP 17 3HB ASP 17 5.374 13.270 9.514 113 H GLY 18 H GLY 18 2.391 15.291 7.187 114 HA2 GLY 18 2HA GLY 18 -0.138 14.127 7.502 115 HA3 GLY 18 3HA GLY 18 0.237 15.494 6.469 116 H VAL 19 H VAL 19 2.051 14.157 4.692 117 HA VAL 19 HA VAL 19 0.429 12.833 2.818 118 HB VAL 19 HB VAL 19 3.467 12.681 3.174 119 HG11 VAL 19 1HG1 VAL 19 1.803 11.879 0.751 120 HG12 VAL 19 2HG1 VAL 19 2.719 10.786 1.790 121 HG13 VAL 19 3HG1 VAL 19 3.569 11.967 0.793 122 HG21 VAL 19 3HG2 VAL 19 1.798 14.458 1.355 123 HG22 VAL 19 1HG2 VAL 19 3.563 14.391 1.382 124 HG23 VAL 19 2HG2 VAL 19 2.680 14.981 2.792 125 H VAL 20 H VAL 20 2.772 11.547 5.157 126 HA VAL 20 HA VAL 20 2.420 8.784 4.793 127 HB VAL 20 HB VAL 20 3.249 10.335 7.297 128 HG11 VAL 20 1HG1 VAL 20 4.363 8.278 8.083 129 HG12 VAL 20 2HG1 VAL 20 3.724 7.393 6.696 130 HG13 VAL 20 3HG1 VAL 20 2.625 8.029 7.920 131 HG21 VAL 20 3HG2 VAL 20 5.575 9.879 6.562 132 HG22 VAL 20 1HG2 VAL 20 4.685 10.817 5.358 133 HG23 VAL 20 2HG2 VAL 20 4.957 9.091 5.106 134 H ALA 21 H ALA 21 0.684 11.097 6.823 135 HA ALA 21 HA ALA 21 -0.775 9.248 8.414 136 HB1 ALA 21 3HB ALA 21 -2.052 11.215 9.165 137 HB2 ALA 21 1HB ALA 21 -1.357 12.180 7.863 138 HB3 ALA 21 2HB ALA 21 -0.320 11.556 9.148 139 H MET 22 H MET 22 -1.553 11.035 5.419 140 HA MET 22 HA MET 22 -4.271 10.044 5.363 141 HB2 MET 22 2HB MET 22 -4.539 11.232 3.250 142 HB3 MET 22 3HB MET 22 -3.812 12.276 4.459 143 HG2 MET 22 2HG MET 22 -1.622 11.993 3.410 144 HG3 MET 22 3HG MET 22 -2.323 10.902 2.218 145 HE1 MET 22 3HE MET 22 -4.105 11.691 0.355 146 HE2 MET 22 1HE MET 22 -4.688 13.350 0.214 147 HE3 MET 22 2HE MET 22 -5.153 12.369 1.603 148 H ILE 23 H ILE 23 -1.185 8.947 4.050 149 HA ILE 23 HA ILE 23 -2.272 7.001 2.250 150 HB ILE 23 HB ILE 23 0.405 6.967 3.731 151 HG12 ILE 23 2HG1 ILE 23 -0.214 7.631 0.820 152 HG13 ILE 23 3HG1 ILE 23 0.117 8.819 2.067 153 HG21 ILE 23 1HG2 ILE 23 -0.223 4.658 3.140 154 HG22 ILE 23 2HG2 ILE 23 1.115 5.199 2.130 155 HG23 ILE 23 3HG2 ILE 23 -0.520 5.148 1.470 156 HD11 ILE 23 3HD1 ILE 23 2.049 8.501 0.665 157 HD12 ILE 23 1HD1 ILE 23 2.060 6.768 1.001 158 HD13 ILE 23 2HD1 ILE 23 2.397 7.923 2.294 159 H LYS 24 H LYS 24 -1.448 6.975 5.732 160 HA LYS 24 HA LYS 24 -1.935 4.332 6.415 161 HB2 LYS 24 2HB LYS 24 -2.559 6.840 8.023 162 HB3 LYS 24 3HB LYS 24 -2.614 5.214 8.698 163 HG2 LYS 24 2HG LYS 24 -0.228 4.928 8.320 164 HG3 LYS 24 3HG LYS 24 -0.133 6.501 7.521 165 HD2 LYS 24 2HD LYS 24 -0.817 7.610 9.642 166 HD3 LYS 24 3HD LYS 24 -0.890 6.032 10.436 167 HE2 LYS 24 2HE LYS 24 1.521 5.728 10.061 168 HE3 LYS 24 3HE LYS 24 1.597 7.284 9.231 169 HZ1 LYS 24 3HZ LYS 24 0.965 8.380 11.269 170 HZ2 LYS 24 1HZ LYS 24 2.336 7.424 11.533 171 HZ3 LYS 24 2HZ LYS 24 0.820 6.899 12.075 172 H GLU 25 H GLU 25 -4.328 6.980 6.059 173 HA GLU 25 HA GLU 25 -6.532 5.313 6.874 174 HB2 GLU 25 2HB GLU 25 -7.945 7.189 6.638 175 HB3 GLU 25 3HB GLU 25 -6.413 7.866 7.170 176 HG2 GLU 25 2HG GLU 25 -5.923 8.471 4.785 177 HG3 GLU 25 3HG GLU 25 -7.541 7.901 4.356 178 H LEU 26 H LEU 26 -5.203 6.422 3.715 179 HA LEU 26 HA LEU 26 -7.268 5.394 2.071 180 HB2 LEU 26 2HB LEU 26 -4.335 5.917 1.490 181 HB3 LEU 26 3HB LEU 26 -5.475 5.422 0.246 182 HG LEU 26 HG LEU 26 -5.720 7.975 1.891 183 HD11 LEU 26 1HD1 LEU 26 -5.070 9.179 -0.134 184 HD12 LEU 26 2HD1 LEU 26 -4.791 7.652 -0.975 185 HD13 LEU 26 3HD1 LEU 26 -3.784 8.101 0.405 186 HD21 LEU 26 3HD2 LEU 26 -7.892 7.141 1.176 187 HD22 LEU 26 1HD2 LEU 26 -7.323 7.002 -0.491 188 HD23 LEU 26 2HD2 LEU 26 -7.466 8.588 0.270 189 H LEU 27 H LEU 27 -4.480 3.842 3.544 190 HA LEU 27 HA LEU 27 -4.783 1.290 2.284 191 HB2 LEU 27 2HB LEU 27 -3.496 2.060 4.932 192 HB3 LEU 27 3HB LEU 27 -3.364 0.471 4.190 193 HG LEU 27 HG LEU 27 -2.294 3.047 2.968 194 HD11 LEU 27 1HD1 LEU 27 -0.067 2.243 3.565 195 HD12 LEU 27 2HD1 LEU 27 -0.771 0.848 4.387 196 HD13 LEU 27 3HD1 LEU 27 -1.063 2.479 4.999 197 HD21 LEU 27 3HD2 LEU 27 -2.872 1.390 1.265 198 HD22 LEU 27 1HD2 LEU 27 -1.911 0.166 2.099 199 HD23 LEU 27 2HD2 LEU 27 -1.124 1.576 1.384 200 H ASP 28 H ASP 28 -5.753 2.657 5.442 201 HA ASP 28 HA ASP 28 -6.772 0.228 6.491 202 HB2 ASP 28 2HB ASP 28 -5.917 2.176 7.852 203 HB3 ASP 28 3HB ASP 28 -7.388 3.055 7.450 204 H THR 29 H THR 29 -8.290 2.800 4.673 205 HA THR 29 HA THR 29 -11.009 1.968 5.290 206 HB THR 29 HB THR 29 -11.678 3.881 3.819 207 HG1 THR 29 HG1 THR 29 -9.243 5.035 3.575 208 HG21 THR 29 3HG2 THR 29 -10.815 5.708 5.233 209 HG22 THR 29 1HG2 THR 29 -9.571 4.628 5.871 210 HG23 THR 29 2HG2 THR 29 -11.273 4.314 6.212 211 H ARG 30 H ARG 30 -8.715 1.767 2.565 212 HA ARG 30 HA ARG 30 -10.813 0.493 0.889 213 HB2 ARG 30 2HB ARG 30 -8.209 1.765 -0.037 214 HB3 ARG 30 3HB ARG 30 -9.494 1.135 -1.068 215 HG2 ARG 30 2HG ARG 30 -11.022 2.907 -0.073 216 HG3 ARG 30 3HG ARG 30 -9.600 3.595 0.713 217 HD2 ARG 30 2HD ARG 30 -9.907 4.863 -1.281 218 HD3 ARG 30 3HD ARG 30 -8.567 3.773 -1.637 219 HE ARG 30 HE ARG 30 -11.321 3.601 -2.686 220 HH11 ARG 30 1HH1 ARG 30 -8.024 2.345 -2.790 221 HH12 ARG 30 2HH1 ARG 30 -8.281 1.473 -4.262 222 HH21 ARG 30 1HH2 ARG 30 -11.615 2.460 -4.631 223 HH22 ARG 30 2HH2 ARG 30 -10.307 1.541 -5.298 224 H ILE 31 H ILE 31 -7.291 0.211 1.618 225 HA ILE 31 HA ILE 31 -7.048 -2.108 -0.093 226 HB ILE 31 HB ILE 31 -4.977 -0.772 1.691 227 HG12 ILE 31 2HG1 ILE 31 -5.795 0.767 -0.043 228 HG13 ILE 31 3HG1 ILE 31 -4.137 0.296 -0.387 229 HG21 ILE 31 1HG2 ILE 31 -4.317 -3.079 1.206 230 HG22 ILE 31 2HG2 ILE 31 -3.270 -1.950 0.343 231 HG23 ILE 31 3HG2 ILE 31 -4.550 -2.806 -0.522 232 HD11 ILE 31 3HD1 ILE 31 -5.446 0.401 -2.405 233 HD12 ILE 31 1HD1 ILE 31 -6.613 -0.753 -1.764 234 HD13 ILE 31 2HD1 ILE 31 -4.956 -1.265 -2.107 235 H ARG 32 H ARG 32 -6.348 -1.559 3.410 236 HA ARG 32 HA ARG 32 -5.708 -4.103 4.157 237 HB2 ARG 32 2HB ARG 32 -7.178 -2.087 5.897 238 HB3 ARG 32 3HB ARG 32 -6.394 -3.548 6.494 239 HG2 ARG 32 2HG ARG 32 -4.217 -2.626 5.553 240 HG3 ARG 32 3HG ARG 32 -5.071 -1.108 5.267 241 HD2 ARG 32 2HD ARG 32 -3.885 -0.939 7.374 242 HD3 ARG 32 3HD ARG 32 -5.616 -1.028 7.724 243 HE ARG 32 HE ARG 32 -4.025 -3.499 7.788 244 HH11 ARG 32 1HH1 ARG 32 -5.754 -1.069 9.686 245 HH12 ARG 32 2HH1 ARG 32 -5.775 -2.055 11.113 246 HH21 ARG 32 1HH2 ARG 32 -4.105 -4.760 9.628 247 HH22 ARG 32 2HH2 ARG 32 -4.838 -4.149 11.080 248 HA PRO 33 HA PRO 33 -10.505 -5.165 5.163 249 HB2 PRO 33 2HB PRO 33 -11.727 -3.496 2.957 250 HB3 PRO 33 3HB PRO 33 -12.387 -3.915 4.553 251 HG2 PRO 33 2HG PRO 33 -11.444 -1.470 4.128 252 HG3 PRO 33 3HG PRO 33 -11.114 -2.304 5.668 253 HD2 PRO 33 2HD PRO 33 -9.284 -1.907 3.313 254 HD3 PRO 33 3HD PRO 33 -8.928 -1.810 5.048 255 H THR 34 H THR 34 -9.397 -4.385 1.860 256 HA THR 34 HA THR 34 -10.621 -6.576 0.509 257 HB THR 34 HB THR 34 -8.225 -4.888 -0.344 258 HG1 THR 34 HG1 THR 34 -10.428 -3.887 0.146 259 HG21 THR 34 3HG2 THR 34 -10.134 -6.529 -2.049 260 HG22 THR 34 1HG2 THR 34 -8.446 -6.934 -1.723 261 HG23 THR 34 2HG2 THR 34 -8.845 -5.490 -2.657 262 H VAL 35 H VAL 35 -7.298 -6.007 1.677 263 HA VAL 35 HA VAL 35 -6.229 -8.455 0.663 264 HB VAL 35 HB VAL 35 -4.962 -6.694 2.813 265 HG11 VAL 35 1HG1 VAL 35 -2.820 -7.529 1.906 266 HG12 VAL 35 2HG1 VAL 35 -3.691 -8.517 0.730 267 HG13 VAL 35 3HG1 VAL 35 -3.830 -8.867 2.452 268 HG21 VAL 35 3HG2 VAL 35 -4.761 -6.370 -0.202 269 HG22 VAL 35 1HG2 VAL 35 -3.861 -5.437 0.999 270 HG23 VAL 35 2HG2 VAL 35 -5.615 -5.285 0.895 271 H GLN 36 H GLN 36 -7.602 -7.472 3.758 272 HA GLN 36 HA GLN 36 -6.886 -9.789 5.265 273 HB2 GLN 36 2HB GLN 36 -9.066 -7.706 5.678 274 HB3 GLN 36 3HB GLN 36 -8.771 -9.016 6.820 275 HG2 GLN 36 2HG GLN 36 -6.538 -8.190 7.288 276 HG3 GLN 36 3HG GLN 36 -6.671 -6.978 6.015 277 HE21 GLN 36 1HE2 GLN 36 -6.266 -5.278 7.448 278 HE22 GLN 36 2HE2 GLN 36 -7.428 -4.750 8.612 279 H GLU 37 H GLU 37 -9.557 -9.069 3.059 280 HA GLU 37 HA GLU 37 -11.002 -11.502 3.523 281 HB2 GLU 37 2HB GLU 37 -10.930 -9.635 1.112 282 HB3 GLU 37 3HB GLU 37 -12.029 -11.003 1.254 283 HG2 GLU 37 2HG GLU 37 -11.959 -8.652 3.169 284 HG3 GLU 37 3HG GLU 37 -13.058 -8.789 1.801 285 H ASP 38 H ASP 38 -8.317 -10.531 1.427 286 HA ASP 38 HA ASP 38 -8.214 -12.942 -0.133 287 HB2 ASP 38 2HB ASP 38 -7.358 -10.661 -0.876 288 HB3 ASP 38 3HB ASP 38 -6.010 -10.856 0.237 289 H GLY 39 H GLY 39 -6.978 -12.061 2.992 290 HA2 GLY 39 2HA GLY 39 -6.500 -13.899 4.509 291 HA3 GLY 39 3HA GLY 39 -5.658 -14.721 3.206 292 H GLY 40 H GLY 40 -4.865 -11.499 3.020 293 HA2 GLY 40 2HA GLY 40 -2.501 -11.730 4.815 294 HA3 GLY 40 3HA GLY 40 -2.492 -10.904 3.260 295 H ASP 41 H ASP 41 -1.735 -9.018 4.312 296 HA ASP 41 HA ASP 41 -3.717 -7.087 4.842 297 HB2 ASP 41 2HB ASP 41 -3.744 -8.175 7.112 298 HB3 ASP 41 3HB ASP 41 -2.025 -7.841 7.281 299 H VAL 42 H VAL 42 -2.641 -4.900 5.318 300 HA VAL 42 HA VAL 42 0.151 -4.826 4.321 301 HB VAL 42 HB VAL 42 -0.303 -2.770 3.039 302 HG11 VAL 42 1HG1 VAL 42 -2.240 -4.981 2.258 303 HG12 VAL 42 2HG1 VAL 42 -0.517 -4.946 1.887 304 HG13 VAL 42 3HG1 VAL 42 -1.591 -3.738 1.181 305 HG21 VAL 42 3HG2 VAL 42 -2.184 -1.831 4.338 306 HG22 VAL 42 1HG2 VAL 42 -3.240 -3.118 3.754 307 HG23 VAL 42 2HG2 VAL 42 -2.583 -1.929 2.623 308 H ILE 43 H ILE 43 1.455 -3.995 5.790 309 HA ILE 43 HA ILE 43 0.474 -2.137 7.879 310 HB ILE 43 HB ILE 43 3.015 -3.855 7.846 311 HG12 ILE 43 2HG1 ILE 43 1.981 -4.990 9.893 312 HG13 ILE 43 3HG1 ILE 43 0.478 -4.157 9.526 313 HG21 ILE 43 1HG2 ILE 43 3.415 -3.054 10.156 314 HG22 ILE 43 2HG2 ILE 43 2.025 -1.977 10.022 315 HG23 ILE 43 3HG2 ILE 43 3.438 -1.727 8.993 316 HD11 ILE 43 3HD1 ILE 43 0.475 -6.481 8.795 317 HD12 ILE 43 1HD1 ILE 43 1.860 -6.163 7.750 318 HD13 ILE 43 2HD1 ILE 43 0.310 -5.379 7.427 319 H TYR 44 H TYR 44 1.191 -0.038 7.749 320 HA TYR 44 HA TYR 44 2.973 0.750 5.621 321 HB2 TYR 44 2HB TYR 44 0.910 2.051 6.433 322 HB3 TYR 44 3HB TYR 44 1.873 2.545 7.817 323 HD1 TYR 44 HD2 TYR 44 4.233 2.502 5.228 324 HD2 TYR 44 HD1 TYR 44 0.803 4.699 6.483 325 HE1 TYR 44 HE2 TYR 44 5.006 4.435 3.970 326 HE2 TYR 44 HE1 TYR 44 1.600 6.630 5.215 327 HH TYR 44 HH TYR 44 4.101 6.467 2.946 328 H LYS 45 H LYS 45 5.122 0.916 5.779 329 HA LYS 45 HA LYS 45 6.455 0.782 8.413 330 HB2 LYS 45 2HB LYS 45 7.321 -0.070 5.626 331 HB3 LYS 45 3HB LYS 45 8.458 0.024 6.968 332 HG2 LYS 45 2HG LYS 45 5.944 -1.685 6.997 333 HG3 LYS 45 3HG LYS 45 7.544 -2.283 6.542 334 HD2 LYS 45 2HD LYS 45 8.420 -1.829 8.771 335 HD3 LYS 45 3HD LYS 45 6.931 -1.009 9.248 336 HE2 LYS 45 2HE LYS 45 5.698 -3.090 9.176 337 HE3 LYS 45 3HE LYS 45 7.088 -3.941 8.496 338 HZ1 LYS 45 3HZ LYS 45 8.289 -3.600 10.536 339 HZ2 LYS 45 1HZ LYS 45 6.808 -4.344 10.875 340 HZ3 LYS 45 2HZ LYS 45 7.017 -2.697 11.191 341 H GLY 46 H GLY 46 6.659 2.500 5.241 342 HA2 GLY 46 2HA GLY 46 7.477 4.960 6.420 343 HA3 GLY 46 3HA GLY 46 8.912 4.096 5.884 344 H PHE 47 H PHE 47 8.867 6.313 4.712 345 HA PHE 47 HA PHE 47 7.968 5.964 1.972 346 HB2 PHE 47 2HB PHE 47 5.967 7.005 3.036 347 HB3 PHE 47 3HB PHE 47 6.961 8.314 3.667 348 HD1 PHE 47 HD2 PHE 47 5.723 6.761 0.503 349 HD2 PHE 47 HD1 PHE 47 7.402 10.256 2.313 350 HE1 PHE 47 HE2 PHE 47 5.344 8.025 -1.570 351 HE2 PHE 47 HE1 PHE 47 7.019 11.505 0.236 352 HZ PHE 47 HZ PHE 47 6.005 10.391 -1.713 353 H GLU 48 H GLU 48 9.740 6.487 0.834 354 HA GLU 48 HA GLU 48 11.271 8.915 1.459 355 HB2 GLU 48 2HB GLU 48 13.443 7.694 1.242 356 HB3 GLU 48 3HB GLU 48 12.519 7.215 2.662 357 HG2 GLU 48 2HG GLU 48 11.748 5.180 1.453 358 HG3 GLU 48 3HG GLU 48 12.742 5.641 0.070 359 H ASP 49 H ASP 49 12.276 9.839 -0.304 360 HA ASP 49 HA ASP 49 12.356 10.653 -2.401 361 HB2 ASP 49 2HB ASP 49 12.269 7.727 -3.229 362 HB3 ASP 49 3HB ASP 49 12.609 9.054 -4.338 363 H GLY 50 H GLY 50 10.268 7.901 -3.165 364 HA2 GLY 50 2HA GLY 50 7.804 9.403 -2.995 365 HA3 GLY 50 3HA GLY 50 8.295 9.000 -4.643 366 H ILE 51 H ILE 51 9.308 6.776 -2.253 367 HA ILE 51 HA ILE 51 7.476 4.777 -3.399 368 HB ILE 51 HB ILE 51 10.165 4.350 -2.024 369 HG12 ILE 51 2HG1 ILE 51 10.451 5.536 -4.187 370 HG13 ILE 51 3HG1 ILE 51 11.090 3.902 -4.279 371 HG21 ILE 51 1HG2 ILE 51 10.015 2.044 -2.919 372 HG22 ILE 51 2HG2 ILE 51 8.403 2.396 -3.543 373 HG23 ILE 51 3HG2 ILE 51 8.694 2.403 -1.803 374 HD11 ILE 51 3HD1 ILE 51 9.956 4.508 -6.306 375 HD12 ILE 51 1HD1 ILE 51 8.472 4.866 -5.430 376 HD13 ILE 51 2HD1 ILE 51 9.076 3.205 -5.512 377 H VAL 52 H VAL 52 5.913 4.108 -2.133 378 HA VAL 52 HA VAL 52 5.875 4.579 0.739 379 HB VAL 52 HB VAL 52 3.735 3.267 -1.007 380 HG11 VAL 52 1HG1 VAL 52 2.178 3.916 0.802 381 HG12 VAL 52 2HG1 VAL 52 3.527 4.569 1.733 382 HG13 VAL 52 3HG1 VAL 52 3.441 2.838 1.400 383 HG21 VAL 52 3HG2 VAL 52 3.990 6.202 -0.266 384 HG22 VAL 52 1HG2 VAL 52 2.631 5.470 -1.124 385 HG23 VAL 52 2HG2 VAL 52 4.227 5.520 -1.876 386 H GLN 53 H GLN 53 7.118 3.099 1.812 387 HA GLN 53 HA GLN 53 7.388 0.353 0.939 388 HB2 GLN 53 2HB GLN 53 8.574 1.949 3.241 389 HB3 GLN 53 3HB GLN 53 8.864 0.220 3.044 390 HG2 GLN 53 2HG GLN 53 9.881 0.635 0.829 391 HG3 GLN 53 3HG GLN 53 9.576 2.362 1.011 392 HE21 GLN 53 1HE2 GLN 53 11.857 2.674 0.710 393 HE22 GLN 53 2HE2 GLN 53 12.958 2.423 2.016 394 H LEU 54 H LEU 54 5.952 -1.103 1.423 395 HA LEU 54 HA LEU 54 4.334 -1.000 3.895 396 HB2 LEU 54 2HB LEU 54 3.458 -1.957 1.134 397 HB3 LEU 54 3HB LEU 54 2.477 -2.016 2.593 398 HG LEU 54 HG LEU 54 3.397 0.511 1.162 399 HD11 LEU 54 1HD1 LEU 54 1.644 -0.660 -0.054 400 HD12 LEU 54 2HD1 LEU 54 1.025 0.831 0.648 401 HD13 LEU 54 3HD1 LEU 54 0.641 -0.721 1.398 402 HD21 LEU 54 3HD2 LEU 54 3.306 0.909 3.559 403 HD22 LEU 54 1HD2 LEU 54 1.682 0.217 3.647 404 HD23 LEU 54 2HD2 LEU 54 1.963 1.719 2.760 405 H LYS 55 H LYS 55 4.324 -2.850 5.053 406 HA LYS 55 HA LYS 55 5.707 -5.217 4.099 407 HB2 LYS 55 2HB LYS 55 6.129 -4.417 6.405 408 HB3 LYS 55 3HB LYS 55 4.437 -4.686 6.815 409 HG2 LYS 55 2HG LYS 55 4.684 -7.090 6.526 410 HG3 LYS 55 3HG LYS 55 6.320 -6.890 5.890 411 HD2 LYS 55 2HD LYS 55 7.014 -5.948 8.106 412 HD3 LYS 55 3HD LYS 55 5.398 -6.284 8.725 413 HE2 LYS 55 2HE LYS 55 5.744 -8.675 8.437 414 HE3 LYS 55 3HE LYS 55 7.298 -8.395 7.646 415 HZ1 LYS 55 3HZ LYS 55 7.569 -9.024 9.967 416 HZ2 LYS 55 1HZ LYS 55 6.646 -7.695 10.458 417 HZ3 LYS 55 2HZ LYS 55 8.140 -7.454 9.703 418 H LEU 56 H LEU 56 4.569 -6.530 2.853 419 HA LEU 56 HA LEU 56 1.670 -6.829 3.083 420 HB2 LEU 56 2HB LEU 56 3.581 -8.310 1.226 421 HB3 LEU 56 3HB LEU 56 1.833 -8.205 1.073 422 HG LEU 56 HG LEU 56 3.849 -5.969 0.607 423 HD11 LEU 56 1HD1 LEU 56 3.026 -5.998 -1.699 424 HD12 LEU 56 2HD1 LEU 56 1.964 -7.357 -1.314 425 HD13 LEU 56 3HD1 LEU 56 3.719 -7.550 -1.233 426 HD21 LEU 56 3HD2 LEU 56 1.967 -4.531 -0.027 427 HD22 LEU 56 1HD2 LEU 56 1.884 -4.997 1.669 428 HD23 LEU 56 2HD2 LEU 56 0.827 -5.777 0.488 429 H GLN 57 H GLN 57 0.663 -8.678 3.865 430 HA GLN 57 HA GLN 57 2.291 -10.563 5.452 431 HB2 GLN 57 2HB GLN 57 -0.666 -9.859 5.489 432 HB3 GLN 57 3HB GLN 57 -0.010 -11.202 6.416 433 HG2 GLN 57 2HG GLN 57 0.898 -8.326 6.729 434 HG3 GLN 57 3HG GLN 57 -0.349 -9.081 7.719 435 HE21 GLN 57 1HE2 GLN 57 2.285 -7.965 8.499 436 HE22 GLN 57 2HE2 GLN 57 3.099 -9.247 9.319 437 H GLY 58 H GLY 58 1.108 -12.822 5.628 438 HA2 GLY 58 2HA GLY 58 1.779 -14.288 3.380 439 HA3 GLY 58 3HA GLY 58 0.790 -14.880 4.698 440 H SER 59 H SER 59 0.292 -16.014 2.420 441 HA SER 59 HA SER 59 -1.190 -16.585 0.837 442 HB2 SER 59 2HB SER 59 -2.974 -14.263 1.689 443 HB3 SER 59 3HB SER 59 -3.451 -15.678 0.744 444 HG SER 59 HG SER 59 -2.772 -15.499 3.480 445 H CYS 60 H CYS 60 -1.253 -13.000 0.918 446 HA CYS 60 HA CYS 60 -1.130 -12.570 -1.861 447 HB2 CYS 60 2HB CYS 60 -0.123 -10.745 0.357 448 HB3 CYS 60 3HB CYS 60 -0.598 -10.257 -1.272 449 HG CYS 60 HG CYS 60 -3.168 -11.803 -0.154 450 H THR 61 H THR 61 1.428 -12.783 0.611 451 HA THR 61 HA THR 61 3.605 -12.201 -1.178 452 HB THR 61 HB THR 61 5.050 -12.791 0.784 453 HG1 THR 61 HG1 THR 61 4.164 -14.105 2.184 454 HG21 THR 61 3HG2 THR 61 2.717 -10.956 1.435 455 HG22 THR 61 1HG2 THR 61 4.190 -10.495 0.573 456 HG23 THR 61 2HG2 THR 61 4.271 -10.978 2.268 457 H SER 62 H SER 62 1.842 -15.023 -0.416 458 HA SER 62 HA SER 62 3.918 -16.981 -0.688 459 HB2 SER 62 2HB SER 62 0.890 -17.332 -0.833 460 HB3 SER 62 3HB SER 62 2.080 -18.604 -0.539 461 HG SER 62 HG SER 62 2.698 -17.269 1.353 462 H CYS 63 H CYS 63 2.248 -15.076 -2.923 463 HA CYS 63 HA CYS 63 3.046 -16.760 -5.200 464 HB2 CYS 63 2HB CYS 63 0.844 -15.775 -6.275 465 HB3 CYS 63 3HB CYS 63 0.731 -17.155 -5.191 466 HG CYS 63 HG CYS 63 -0.276 -15.839 -3.068 467 HA PRO 64 HA PRO 64 5.476 -12.932 -5.521 468 HB2 PRO 64 2HB PRO 64 6.286 -14.134 -8.166 469 HB3 PRO 64 3HB PRO 64 7.302 -13.516 -6.842 470 HG2 PRO 64 2HG PRO 64 7.065 -16.127 -7.163 471 HG3 PRO 64 3HG PRO 64 7.007 -15.428 -5.527 472 HD2 PRO 64 2HD PRO 64 4.706 -16.375 -7.243 473 HD3 PRO 64 3HD PRO 64 5.005 -16.650 -5.512 474 H SER 65 H SER 65 3.568 -13.967 -8.390 475 HA SER 65 HA SER 65 3.646 -11.405 -9.674 476 HB2 SER 65 2HB SER 65 1.652 -13.672 -10.088 477 HB3 SER 65 3HB SER 65 1.922 -12.311 -11.180 478 HG SER 65 HG SER 65 4.027 -13.077 -11.519 479 H SER 66 H SER 66 1.464 -12.940 -7.347 480 HA SER 66 HA SER 66 -0.667 -11.056 -7.494 481 HB2 SER 66 2HB SER 66 -0.869 -13.380 -6.553 482 HB3 SER 66 3HB SER 66 0.069 -12.861 -5.151 483 HG SER 66 HG SER 66 -2.562 -12.280 -5.869 484 H ILE 67 H ILE 67 2.320 -11.229 -5.599 485 HA ILE 67 HA ILE 67 2.026 -9.088 -3.822 486 HB ILE 67 HB ILE 67 4.523 -9.961 -5.353 487 HG12 ILE 67 2HG1 ILE 67 3.622 -10.723 -2.539 488 HG13 ILE 67 3HG1 ILE 67 3.540 -11.768 -3.955 489 HG21 ILE 67 1HG2 ILE 67 5.855 -8.826 -3.617 490 HG22 ILE 67 2HG2 ILE 67 4.376 -8.233 -2.863 491 HG23 ILE 67 3HG2 ILE 67 4.825 -7.683 -4.477 492 HD11 ILE 67 3HD1 ILE 67 5.998 -11.710 -4.115 493 HD12 ILE 67 1HD1 ILE 67 5.424 -12.360 -2.579 494 HD13 ILE 67 2HD1 ILE 67 6.054 -10.716 -2.655 495 H ILE 68 H ILE 68 3.296 -9.138 -7.137 496 HA ILE 68 HA ILE 68 3.949 -6.417 -7.397 497 HB ILE 68 HB ILE 68 3.267 -8.432 -9.586 498 HG12 ILE 68 2HG1 ILE 68 6.016 -7.695 -8.466 499 HG13 ILE 68 3HG1 ILE 68 5.129 -9.156 -8.048 500 HG21 ILE 68 1HG2 ILE 68 4.819 -5.825 -9.810 501 HG22 ILE 68 2HG2 ILE 68 3.207 -6.130 -10.459 502 HG23 ILE 68 3HG2 ILE 68 4.595 -7.004 -11.108 503 HD11 ILE 68 3HD1 ILE 68 5.258 -9.893 -10.391 504 HD12 ILE 68 1HD1 ILE 68 6.848 -9.637 -9.673 505 HD13 ILE 68 2HD1 ILE 68 6.186 -8.442 -10.786 506 H THR 69 H THR 69 1.045 -8.239 -8.379 507 HA THR 69 HA THR 69 -0.336 -6.131 -9.658 508 HB THR 69 HB THR 69 -1.426 -8.697 -8.420 509 HG1 THR 69 HG1 THR 69 0.022 -9.237 -10.006 510 HG21 THR 69 3HG2 THR 69 -3.258 -7.089 -8.873 511 HG22 THR 69 1HG2 THR 69 -3.317 -8.455 -9.989 512 HG23 THR 69 2HG2 THR 69 -2.682 -6.902 -10.532 513 H LEU 70 H LEU 70 -0.448 -7.370 -6.294 514 HA LEU 70 HA LEU 70 -2.529 -5.731 -5.304 515 HB2 LEU 70 2HB LEU 70 -1.706 -7.701 -4.078 516 HB3 LEU 70 3HB LEU 70 -0.132 -6.952 -3.878 517 HG LEU 70 HG LEU 70 -1.153 -5.208 -2.400 518 HD11 LEU 70 1HD1 LEU 70 -3.720 -6.790 -2.684 519 HD12 LEU 70 2HD1 LEU 70 -3.412 -5.166 -3.309 520 HD13 LEU 70 3HD1 LEU 70 -3.438 -5.447 -1.572 521 HD21 LEU 70 3HD2 LEU 70 -1.698 -8.051 -1.487 522 HD22 LEU 70 1HD2 LEU 70 -1.550 -6.635 -0.440 523 HD23 LEU 70 2HD2 LEU 70 -0.161 -7.191 -1.369 524 H LYS 71 H LYS 71 0.993 -5.357 -5.225 525 HA LYS 71 HA LYS 71 1.270 -2.876 -3.996 526 HB2 LYS 71 2HB LYS 71 3.110 -4.417 -4.249 527 HB3 LYS 71 3HB LYS 71 2.988 -4.402 -5.995 528 HG2 LYS 71 2HG LYS 71 3.719 -1.868 -4.529 529 HG3 LYS 71 3HG LYS 71 4.936 -3.120 -4.757 530 HD2 LYS 71 2HD LYS 71 3.422 -1.655 -6.966 531 HD3 LYS 71 3HD LYS 71 5.113 -1.420 -6.525 532 HE2 LYS 71 2HE LYS 71 5.577 -3.779 -7.186 533 HE3 LYS 71 3HE LYS 71 3.895 -3.948 -7.697 534 HZ1 LYS 71 3HZ LYS 71 5.882 -2.056 -8.822 535 HZ2 LYS 71 1HZ LYS 71 4.273 -2.195 -9.322 536 HZ3 LYS 71 2HZ LYS 71 5.345 -3.480 -9.549 537 H ASN 72 H ASN 72 0.729 -3.672 -7.405 538 HA ASN 72 HA ASN 72 1.000 -1.048 -8.476 539 HB2 ASN 72 2HB ASN 72 -0.338 -3.568 -9.530 540 HB3 ASN 72 3HB ASN 72 -0.313 -2.071 -10.456 541 HD21 ASN 72 1HD2 ASN 72 0.890 -4.710 -11.012 542 HD22 ASN 72 2HD2 ASN 72 2.557 -4.387 -11.318 543 H GLY 73 H GLY 73 -1.798 -2.900 -7.289 544 HA2 GLY 73 2HA GLY 73 -3.848 -1.109 -8.043 545 HA3 GLY 73 3HA GLY 73 -3.935 -2.293 -6.750 546 H ILE 74 H ILE 74 -2.042 -1.462 -5.013 547 HA ILE 74 HA ILE 74 -3.183 0.629 -3.515 548 HB ILE 74 HB ILE 74 -0.322 -0.455 -3.345 549 HG12 ILE 74 2HG1 ILE 74 -2.767 -1.382 -1.762 550 HG13 ILE 74 3HG1 ILE 74 -2.083 -2.249 -3.130 551 HG21 ILE 74 1HG2 ILE 74 -0.376 0.331 -0.991 552 HG22 ILE 74 2HG2 ILE 74 -1.964 1.044 -1.269 553 HG23 ILE 74 3HG2 ILE 74 -0.553 1.660 -2.133 554 HD11 ILE 74 3HD1 ILE 74 -1.388 -3.254 -1.045 555 HD12 ILE 74 1HD1 ILE 74 -0.699 -1.727 -0.494 556 HD13 ILE 74 2HD1 ILE 74 0.006 -2.569 -1.876 557 H GLN 75 H GLN 75 -0.422 0.489 -5.715 558 HA GLN 75 HA GLN 75 0.680 3.034 -5.324 559 HB2 GLN 75 2HB GLN 75 1.824 1.134 -6.446 560 HB3 GLN 75 3HB GLN 75 0.736 1.293 -7.821 561 HG2 GLN 75 2HG GLN 75 1.639 3.604 -8.189 562 HG3 GLN 75 3HG GLN 75 2.797 3.313 -6.892 563 HE21 GLN 75 1HE2 GLN 75 3.244 0.496 -7.673 564 HE22 GLN 75 2HE2 GLN 75 4.196 0.564 -9.106 565 H ASN 76 H ASN 76 -1.493 1.898 -7.943 566 HA ASN 76 HA ASN 76 -1.790 4.365 -9.266 567 HB2 ASN 76 2HB ASN 76 -3.614 1.923 -9.254 568 HB3 ASN 76 3HB ASN 76 -3.771 3.265 -10.384 569 HD21 ASN 76 1HD2 ASN 76 -3.221 0.425 -10.880 570 HD22 ASN 76 2HD2 ASN 76 -1.746 0.367 -11.775 571 H MET 77 H MET 77 -3.614 2.907 -6.600 572 HA MET 77 HA MET 77 -5.689 4.810 -6.356 573 HB2 MET 77 2HB MET 77 -5.652 2.668 -5.109 574 HB3 MET 77 3HB MET 77 -4.255 3.212 -4.194 575 HG2 MET 77 2HG MET 77 -5.742 5.123 -3.340 576 HG3 MET 77 3HG MET 77 -7.095 4.228 -4.028 577 HE1 MET 77 3HE MET 77 -4.439 2.748 -0.555 578 HE2 MET 77 1HE MET 77 -4.294 4.330 -1.313 579 HE3 MET 77 2HE MET 77 -3.815 2.879 -2.199 580 H LEU 78 H LEU 78 -2.493 4.634 -4.765 581 HA LEU 78 HA LEU 78 -2.735 7.016 -3.250 582 HB2 LEU 78 2HB LEU 78 -0.338 5.306 -3.987 583 HB3 LEU 78 3HB LEU 78 -0.203 6.712 -2.946 584 HG LEU 78 HG LEU 78 -1.872 4.243 -2.317 585 HD11 LEU 78 1HD1 LEU 78 -0.175 3.723 -0.638 586 HD12 LEU 78 2HD1 LEU 78 0.784 5.118 -1.143 587 HD13 LEU 78 3HD1 LEU 78 0.537 3.764 -2.250 588 HD21 LEU 78 3HD2 LEU 78 -1.258 6.685 -0.619 589 HD22 LEU 78 1HD2 LEU 78 -2.097 5.228 -0.069 590 HD23 LEU 78 2HD2 LEU 78 -2.827 6.250 -1.302 591 H GLN 79 H GLN 79 -1.615 6.428 -6.518 592 HA GLN 79 HA GLN 79 -0.210 8.957 -6.791 593 HB2 GLN 79 2HB GLN 79 -0.935 6.817 -8.833 594 HB3 GLN 79 3HB GLN 79 -0.014 8.272 -9.221 595 HG2 GLN 79 2HG GLN 79 1.725 7.596 -7.609 596 HG3 GLN 79 3HG GLN 79 0.824 6.129 -7.245 597 HE21 GLN 79 1HE2 GLN 79 3.526 6.451 -8.296 598 HE22 GLN 79 2HE2 GLN 79 3.565 5.566 -9.779 599 H PHE 80 H PHE 80 -3.425 7.722 -7.401 600 HA PHE 80 HA PHE 80 -4.389 9.830 -9.058 601 HB2 PHE 80 2HB PHE 80 -5.535 7.627 -8.833 602 HB3 PHE 80 3HB PHE 80 -5.915 7.991 -7.156 603 HD1 PHE 80 HD1 PHE 80 -6.550 9.107 -10.672 604 HD2 PHE 80 HD2 PHE 80 -7.925 9.204 -6.607 605 HE1 PHE 80 HE1 PHE 80 -8.656 10.151 -11.395 606 HE2 PHE 80 HE2 PHE 80 -10.023 10.252 -7.351 607 HZ PHE 80 HZ PHE 80 -10.389 10.724 -9.741 608 H TYR 81 H TYR 81 -4.236 9.327 -5.542 609 HA TYR 81 HA TYR 81 -5.515 11.887 -4.954 610 HB2 TYR 81 2HB TYR 81 -4.281 9.826 -3.079 611 HB3 TYR 81 3HB TYR 81 -5.194 11.241 -2.574 612 HD1 TYR 81 HD1 TYR 81 -7.658 11.386 -3.757 613 HD2 TYR 81 HD2 TYR 81 -5.459 7.781 -3.073 614 HE1 TYR 81 HE1 TYR 81 -9.750 10.091 -3.807 615 HE2 TYR 81 HE2 TYR 81 -7.547 6.493 -3.129 616 HH TYR 81 HH TYR 81 -10.434 7.664 -4.301 617 H ILE 82 H ILE 82 -2.403 10.396 -4.015 618 HA ILE 82 HA ILE 82 -1.217 13.025 -3.458 619 HB ILE 82 HB ILE 82 -0.180 10.247 -2.765 620 HG12 ILE 82 2HG1 ILE 82 -1.725 12.174 -0.969 621 HG13 ILE 82 3HG1 ILE 82 -2.415 10.743 -1.724 622 HG21 ILE 82 1HG2 ILE 82 1.585 11.969 -2.780 623 HG22 ILE 82 2HG2 ILE 82 1.268 11.405 -1.140 624 HG23 ILE 82 3HG2 ILE 82 0.634 12.963 -1.670 625 HD11 ILE 82 3HD1 ILE 82 -1.913 10.292 0.561 626 HD12 ILE 82 1HD1 ILE 82 -0.237 10.798 0.353 627 HD13 ILE 82 2HD1 ILE 82 -0.834 9.348 -0.460 628 HA PRO 83 HA PRO 83 1.094 12.433 -7.374 629 HB2 PRO 83 2HB PRO 83 2.256 15.114 -6.872 630 HB3 PRO 83 3HB PRO 83 1.150 14.602 -8.162 631 HG2 PRO 83 2HG PRO 83 0.352 16.259 -6.176 632 HG3 PRO 83 3HG PRO 83 -0.746 15.086 -6.940 633 HD2 PRO 83 2HD PRO 83 0.722 14.845 -4.309 634 HD3 PRO 83 3HD PRO 83 -0.979 14.477 -4.691 635 H GLU 84 H GLU 84 2.368 12.914 -4.215 636 HA GLU 84 HA GLU 84 5.148 13.068 -4.810 637 HB2 GLU 84 2HB GLU 84 3.973 12.057 -2.189 638 HB3 GLU 84 3HB GLU 84 5.526 12.850 -2.437 639 HG2 GLU 84 2HG GLU 84 2.761 14.086 -2.505 640 HG3 GLU 84 3HG GLU 84 4.064 14.418 -1.367 641 H VAL 85 H VAL 85 2.894 10.458 -4.474 642 HA VAL 85 HA VAL 85 4.735 8.339 -3.975 643 HB VAL 85 HB VAL 85 1.877 8.231 -5.036 644 HG11 VAL 85 1HG1 VAL 85 1.847 5.887 -4.238 645 HG12 VAL 85 2HG1 VAL 85 3.552 6.013 -3.800 646 HG13 VAL 85 3HG1 VAL 85 3.067 6.122 -5.494 647 HG21 VAL 85 3HG2 VAL 85 1.994 9.357 -2.846 648 HG22 VAL 85 1HG2 VAL 85 2.894 7.993 -2.177 649 HG23 VAL 85 2HG2 VAL 85 1.220 7.780 -2.689 650 H GLU 86 H GLU 86 6.338 8.333 -5.514 651 HA GLU 86 HA GLU 86 5.898 8.078 -8.343 652 HB2 GLU 86 2HB GLU 86 8.312 7.446 -6.587 653 HB3 GLU 86 3HB GLU 86 8.341 7.383 -8.347 654 HG2 GLU 86 2HG GLU 86 7.731 9.868 -6.709 655 HG3 GLU 86 3HG GLU 86 9.307 9.489 -7.401 656 H GLY 87 H GLY 87 6.004 5.872 -5.609 657 HA2 GLY 87 2HA GLY 87 4.823 3.714 -7.044 658 HA3 GLY 87 3HA GLY 87 6.550 3.429 -6.845 659 H VAL 88 H VAL 88 5.285 1.559 -5.768 660 HA VAL 88 HA VAL 88 5.331 2.002 -2.832 661 HB VAL 88 HB VAL 88 3.361 0.256 -4.412 662 HG11 VAL 88 1HG1 VAL 88 3.690 0.357 -1.391 663 HG12 VAL 88 2HG1 VAL 88 4.088 -1.013 -2.428 664 HG13 VAL 88 3HG1 VAL 88 2.409 -0.499 -2.257 665 HG21 VAL 88 3HG2 VAL 88 2.694 2.619 -4.273 666 HG22 VAL 88 1HG2 VAL 88 2.852 2.576 -2.515 667 HG23 VAL 88 2HG2 VAL 88 1.604 1.615 -3.314 668 H GLU 89 H GLU 89 6.286 0.210 -1.660 669 HA GLU 89 HA GLU 89 7.687 -1.846 -3.281 670 HB2 GLU 89 2HB GLU 89 9.272 -0.032 -2.712 671 HB3 GLU 89 3HB GLU 89 8.877 -0.191 -1.006 672 HG2 GLU 89 2HG GLU 89 9.891 -2.420 -0.948 673 HG3 GLU 89 3HG GLU 89 10.194 -2.355 -2.685 674 H GLN 90 H GLN 90 7.702 -3.888 -2.376 675 HA GLN 90 HA GLN 90 6.338 -4.397 0.153 676 HB2 GLN 90 2HB GLN 90 5.973 -5.979 -1.698 677 HB3 GLN 90 3HB GLN 90 7.704 -6.281 -1.825 678 HG2 GLN 90 2HG GLN 90 7.579 -7.149 0.597 679 HG3 GLN 90 3HG GLN 90 5.827 -7.107 0.413 680 HE21 GLN 90 1HE2 GLN 90 5.699 -9.354 0.708 681 HE22 GLN 90 2HE2 GLN 90 6.218 -10.474 -0.500 682 H VAL 91 H VAL 91 7.485 -4.091 1.966 683 HA VAL 91 HA VAL 91 10.284 -5.071 2.149 684 HB VAL 91 HB VAL 91 10.483 -3.511 4.157 685 HG11 VAL 91 1HG1 VAL 91 11.482 -2.899 1.993 686 HG12 VAL 91 2HG1 VAL 91 10.870 -1.463 2.813 687 HG13 VAL 91 3HG1 VAL 91 9.960 -2.169 1.475 688 HG21 VAL 91 3HG2 VAL 91 7.896 -2.321 3.085 689 HG22 VAL 91 1HG2 VAL 91 8.902 -1.611 4.352 690 HG23 VAL 91 2HG2 VAL 91 8.092 -3.155 4.628 691 H MET 92 H MET 92 10.725 -6.511 3.836 692 HA MET 92 HA MET 92 8.597 -7.157 5.757 693 HB2 MET 92 2HB MET 92 8.924 -9.639 5.322 694 HB3 MET 92 3HB MET 92 8.080 -8.760 4.060 695 HG2 MET 92 2HG MET 92 10.009 -8.818 2.620 696 HG3 MET 92 3HG MET 92 11.021 -9.463 3.911 697 HE1 MET 92 3HE MET 92 10.808 -11.946 4.878 698 HE2 MET 92 1HE MET 92 9.589 -13.095 4.329 699 HE3 MET 92 2HE MET 92 9.103 -11.668 5.242 700 H ASP 93 H ASP 93 9.778 -6.350 7.416 701 HA ASP 93 HA ASP 93 12.427 -7.247 8.073 702 HB2 ASP 93 2HB ASP 93 12.063 -6.099 10.239 703 HB3 ASP 93 3HB ASP 93 11.637 -5.060 8.891 704 H ASP 94 H ASP 94 12.490 -9.429 8.091 705 HA ASP 94 HA ASP 94 10.624 -11.101 9.508 706 HB2 ASP 94 2HB ASP 94 12.186 -12.970 8.881 707 HB3 ASP 94 3HB ASP 94 11.613 -12.032 7.515 708 H GLU 95 H GLU 95 10.572 -10.576 11.580 709 HA GLU 95 HA GLU 95 12.712 -9.690 13.213 710 HB2 GLU 95 2HB GLU 95 9.984 -10.770 14.042 711 HB3 GLU 95 3HB GLU 95 11.035 -9.747 15.021 712 HG2 GLU 95 2HG GLU 95 10.693 -7.851 13.580 713 HG3 GLU 95 3HG GLU 95 9.924 -8.848 12.346 714 H SER 96 H SER 96 11.507 -12.833 12.497 715 HA SER 96 HA SER 96 13.424 -14.159 14.283 716 HB2 SER 96 2HB SER 96 11.179 -13.974 15.469 717 HB3 SER 96 3HB SER 96 10.454 -14.898 14.158 718 HG SER 96 HG SER 96 11.908 -16.615 14.724 719 H ASP 97 H ASP 97 13.264 -13.616 11.402 720 HA ASP 97 HA ASP 97 13.386 -14.492 9.332 721 HB2 ASP 97 2HB ASP 97 14.154 -16.987 10.895 722 HB3 ASP 97 3HB ASP 97 14.210 -16.918 9.137 Start of MODEL 16 1 H1 MET 1 1H MET 1 -5.481 34.592 31.344 2 H2 MET 1 2H MET 1 -7.023 35.227 31.129 3 H3 MET 1 3H MET 1 -6.316 34.281 29.909 4 HA MET 1 HA MET 1 -7.075 33.362 32.607 5 HB2 MET 1 2HB MET 1 -8.332 32.821 29.885 6 HB3 MET 1 3HB MET 1 -8.748 31.947 31.354 7 HG2 MET 1 2HG MET 1 -9.492 34.099 32.376 8 HG3 MET 1 3HG MET 1 -9.180 34.895 30.832 9 HE1 MET 1 3HE MET 1 -12.422 31.638 31.429 10 HE2 MET 1 1HE MET 1 -11.368 32.220 32.724 11 HE3 MET 1 2HE MET 1 -10.700 31.256 31.404 12 H GLY 2 H GLY 2 -6.073 31.542 33.253 13 HA2 GLY 2 2HA GLY 2 -4.834 29.602 33.212 14 HA3 GLY 2 3HA GLY 2 -4.921 29.590 31.459 15 H HIS 3 H HIS 3 -3.034 30.482 34.220 16 HA HIS 3 HA HIS 3 -1.007 32.023 32.912 17 HB2 HIS 3 2HB HIS 3 -1.371 32.031 35.386 18 HB3 HIS 3 3HB HIS 3 -0.817 30.365 35.469 19 HD1 HIS 3 HD1 HIS 3 0.446 33.854 34.794 20 HD2 HIS 3 HD2 HIS 3 1.962 30.059 35.582 21 HE1 HIS 3 HE1 HIS 3 2.914 34.166 35.133 22 HE2 HIS 3 HE2 HIS 3 3.793 31.886 35.724 23 H HIS 4 H HIS 4 -1.756 28.690 33.031 24 HA HIS 4 HA HIS 4 0.750 27.900 31.690 25 HB2 HIS 4 2HB HIS 4 0.570 25.691 32.872 26 HB3 HIS 4 3HB HIS 4 0.862 27.035 33.966 27 HD1 HIS 4 HD1 HIS 4 -1.213 24.113 33.646 28 HD2 HIS 4 HD2 HIS 4 -1.724 27.909 35.248 29 HE1 HIS 4 HE1 HIS 4 -3.155 23.924 35.219 30 HE2 HIS 4 HE2 HIS 4 -3.306 26.178 36.325 31 H HIS 5 H HIS 5 0.314 27.258 29.698 32 HA HIS 5 HA HIS 5 -2.044 25.540 29.138 33 HB2 HIS 5 2HB HIS 5 -0.910 27.710 27.298 34 HB3 HIS 5 3HB HIS 5 -2.130 26.530 26.825 35 HD1 HIS 5 HD1 HIS 5 -4.538 26.879 27.780 36 HD2 HIS 5 HD2 HIS 5 -1.844 29.855 28.817 37 HE1 HIS 5 HE1 HIS 5 -5.932 28.752 28.706 38 HE2 HIS 5 HE2 HIS 5 -4.286 30.618 29.108 39 H HIS 6 H HIS 6 -1.196 23.561 28.827 40 HA HIS 6 HA HIS 6 1.574 23.272 27.839 41 HB2 HIS 6 2HB HIS 6 0.831 22.296 30.084 42 HB3 HIS 6 3HB HIS 6 -0.157 21.155 29.183 43 HD1 HIS 6 HD1 HIS 6 1.064 19.000 29.602 44 HD2 HIS 6 HD2 HIS 6 3.641 22.048 28.436 45 HE1 HIS 6 HE1 HIS 6 3.330 17.933 29.395 46 HE2 HIS 6 HE2 HIS 6 4.898 19.833 28.856 47 H HIS 7 H HIS 7 2.075 21.924 26.136 48 HA HIS 7 HA HIS 7 1.952 20.986 24.113 49 HB2 HIS 7 2HB HIS 7 0.800 19.138 25.309 50 HB3 HIS 7 3HB HIS 7 -0.749 19.924 25.028 51 HD1 HIS 7 HD1 HIS 7 -1.749 19.752 22.643 52 HD2 HIS 7 HD2 HIS 7 1.898 17.818 23.079 53 HE1 HIS 7 HE1 HIS 7 -1.500 18.319 20.602 54 HE2 HIS 7 HE2 HIS 7 0.763 17.237 20.835 55 H HIS 8 H HIS 8 1.954 22.957 23.026 56 HA HIS 8 HA HIS 8 -0.547 24.312 22.357 57 HB2 HIS 8 2HB HIS 8 2.346 24.966 21.639 58 HB3 HIS 8 3HB HIS 8 0.961 25.963 21.191 59 HD1 HIS 8 HD1 HIS 8 -0.108 27.403 23.044 60 HD2 HIS 8 HD2 HIS 8 3.081 25.095 24.383 61 HE1 HIS 8 HE1 HIS 8 0.434 28.266 25.335 62 HE2 HIS 8 HE2 HIS 8 2.240 26.734 26.191 63 H SER 9 H SER 9 -1.636 22.925 21.026 64 HA SER 9 HA SER 9 -0.586 21.527 18.784 65 HB2 SER 9 2HB SER 9 -2.673 20.842 19.924 66 HB3 SER 9 3HB SER 9 -3.455 22.353 19.459 67 HG SER 9 HG SER 9 -4.097 20.874 17.981 68 H HIS 10 H HIS 10 0.289 22.565 17.078 69 HA HIS 10 HA HIS 10 -1.037 24.971 15.945 70 HB2 HIS 10 2HB HIS 10 1.130 25.637 16.791 71 HB3 HIS 10 3HB HIS 10 1.914 24.242 16.057 72 HD1 HIS 10 HD1 HIS 10 2.611 24.425 13.612 73 HD2 HIS 10 HD2 HIS 10 0.463 27.733 14.938 74 HE1 HIS 10 HE1 HIS 10 2.801 26.132 11.781 75 HE2 HIS 10 HE2 HIS 10 1.377 28.070 12.539 76 H MET 11 H MET 11 -2.152 24.358 14.210 77 HA MET 11 HA MET 11 -0.761 22.916 12.056 78 HB2 MET 11 2HB MET 11 -2.235 21.258 13.198 79 HB3 MET 11 3HB MET 11 -3.622 22.305 12.912 80 HG2 MET 11 2HG MET 11 -3.505 20.448 11.293 81 HG3 MET 11 3HG MET 11 -3.384 22.022 10.498 82 HE1 MET 11 3HE MET 11 -2.565 19.200 9.120 83 HE2 MET 11 1HE MET 11 -1.070 19.659 8.306 84 HE3 MET 11 2HE MET 11 -2.458 20.746 8.278 85 H GLY 12 H GLY 12 -0.826 24.066 10.278 86 HA2 GLY 12 2HA GLY 12 -3.120 25.492 9.296 87 HA3 GLY 12 3HA GLY 12 -1.858 26.580 9.877 88 H SER 13 H SER 13 0.401 25.119 9.187 89 HA SER 13 HA SER 13 0.385 24.996 6.249 90 HB2 SER 13 2HB SER 13 2.247 26.204 7.346 91 HB3 SER 13 3HB SER 13 2.659 24.761 8.273 92 HG SER 13 HG SER 13 3.411 23.798 6.479 93 H GLU 14 H GLU 14 0.132 23.046 5.233 94 HA GLU 14 HA GLU 14 -0.261 20.643 6.706 95 HB2 GLU 14 2HB GLU 14 -0.354 19.500 4.485 96 HB3 GLU 14 3HB GLU 14 -1.441 20.871 4.627 97 HG2 GLU 14 2HG GLU 14 -0.077 22.226 3.202 98 HG3 GLU 14 3HG GLU 14 1.255 21.070 3.258 99 H GLU 15 H GLU 15 1.214 19.417 7.601 100 HA GLU 15 HA GLU 15 4.035 19.658 7.084 101 HB2 GLU 15 2HB GLU 15 4.256 17.980 8.895 102 HB3 GLU 15 3HB GLU 15 3.192 19.301 9.352 103 HG2 GLU 15 2HG GLU 15 1.229 17.835 8.786 104 HG3 GLU 15 3HG GLU 15 2.361 16.508 8.523 105 H ASP 16 H ASP 16 5.428 17.760 6.687 106 HA ASP 16 HA ASP 16 4.787 16.397 4.290 107 HB2 ASP 16 2HB ASP 16 7.097 16.948 4.932 108 HB3 ASP 16 3HB ASP 16 6.990 15.883 6.326 109 H ASP 17 H ASP 17 4.616 15.466 7.677 110 HA ASP 17 HA ASP 17 3.959 12.712 7.255 111 HB2 ASP 17 2HB ASP 17 4.967 13.660 9.379 112 HB3 ASP 17 3HB ASP 17 3.410 14.386 9.742 113 H GLY 18 H GLY 18 2.185 15.602 6.901 114 HA2 GLY 18 2HA GLY 18 -0.482 14.751 7.257 115 HA3 GLY 18 3HA GLY 18 0.056 16.012 6.151 116 H VAL 19 H VAL 19 1.672 14.670 4.434 117 HA VAL 19 HA VAL 19 0.026 13.282 2.601 118 HB VAL 19 HB VAL 19 3.084 13.304 2.852 119 HG11 VAL 19 1HG1 VAL 19 2.412 11.334 1.527 120 HG12 VAL 19 2HG1 VAL 19 3.165 12.537 0.482 121 HG13 VAL 19 3HG1 VAL 19 1.410 12.348 0.487 122 HG21 VAL 19 3HG2 VAL 19 2.102 15.537 2.458 123 HG22 VAL 19 1HG2 VAL 19 1.252 14.924 1.037 124 HG23 VAL 19 2HG2 VAL 19 3.015 14.996 1.050 125 H VAL 20 H VAL 20 2.478 12.159 4.884 126 HA VAL 20 HA VAL 20 2.406 9.401 4.424 127 HB VAL 20 HB VAL 20 3.156 11.023 6.889 128 HG11 VAL 20 1HG1 VAL 20 2.684 8.747 7.674 129 HG12 VAL 20 2HG1 VAL 20 4.421 9.059 7.722 130 HG13 VAL 20 3HG1 VAL 20 3.736 8.076 6.427 131 HG21 VAL 20 3HG2 VAL 20 5.484 10.666 6.115 132 HG22 VAL 20 1HG2 VAL 20 4.515 11.492 4.893 133 HG23 VAL 20 2HG2 VAL 20 4.885 9.775 4.716 134 H ALA 21 H ALA 21 0.414 11.399 6.552 135 HA ALA 21 HA ALA 21 -0.735 9.263 8.072 136 HB1 ALA 21 3HB ALA 21 -0.564 11.538 9.000 137 HB2 ALA 21 1HB ALA 21 -2.237 10.980 9.000 138 HB3 ALA 21 2HB ALA 21 -1.688 12.133 7.780 139 H MET 22 H MET 22 -1.829 11.222 5.285 140 HA MET 22 HA MET 22 -4.369 9.890 5.153 141 HB2 MET 22 2HB MET 22 -4.771 11.073 3.054 142 HB3 MET 22 3HB MET 22 -4.206 12.168 4.302 143 HG2 MET 22 2HG MET 22 -2.022 12.292 3.282 144 HG3 MET 22 3HG MET 22 -2.468 11.068 2.096 145 HE1 MET 22 3HE MET 22 -5.508 11.954 1.357 146 HE2 MET 22 1HE MET 22 -4.311 11.483 0.146 147 HE3 MET 22 2HE MET 22 -5.194 12.997 -0.030 148 H ILE 23 H ILE 23 -1.167 9.184 3.796 149 HA ILE 23 HA ILE 23 -1.996 7.151 1.979 150 HB ILE 23 HB ILE 23 0.589 7.245 3.615 151 HG12 ILE 23 2HG1 ILE 23 0.121 8.056 0.706 152 HG13 ILE 23 3HG1 ILE 23 0.297 9.180 2.044 153 HG21 ILE 23 1HG2 ILE 23 1.505 5.631 1.958 154 HG22 ILE 23 2HG2 ILE 23 -0.079 5.521 1.190 155 HG23 ILE 23 3HG2 ILE 23 0.140 4.951 2.844 156 HD11 ILE 23 3HD1 ILE 23 2.337 9.053 0.776 157 HD12 ILE 23 1HD1 ILE 23 2.417 7.305 0.996 158 HD13 ILE 23 2HD1 ILE 23 2.609 8.382 2.383 159 H LYS 24 H LYS 24 -1.117 7.078 5.442 160 HA LYS 24 HA LYS 24 -1.422 4.391 6.058 161 HB2 LYS 24 2HB LYS 24 -2.053 6.822 7.776 162 HB3 LYS 24 3HB LYS 24 -2.002 5.180 8.405 163 HG2 LYS 24 2HG LYS 24 0.383 5.020 7.852 164 HG3 LYS 24 3HG LYS 24 0.339 6.645 7.163 165 HD2 LYS 24 2HD LYS 24 -0.230 7.594 9.367 166 HD3 LYS 24 3HD LYS 24 -0.265 5.976 10.074 167 HE2 LYS 24 2HE LYS 24 2.142 5.720 9.627 168 HE3 LYS 24 3HE LYS 24 2.185 7.310 8.866 169 HZ1 LYS 24 3HZ LYS 24 2.982 7.346 11.151 170 HZ2 LYS 24 1HZ LYS 24 1.483 6.797 11.704 171 HZ3 LYS 24 2HZ LYS 24 1.606 8.308 10.965 172 H GLU 25 H GLU 25 -3.941 6.929 5.966 173 HA GLU 25 HA GLU 25 -5.977 5.167 6.989 174 HB2 GLU 25 2HB GLU 25 -7.464 6.989 6.964 175 HB3 GLU 25 3HB GLU 25 -5.905 7.713 7.317 176 HG2 GLU 25 2HG GLU 25 -5.727 8.341 4.881 177 HG3 GLU 25 3HG GLU 25 -7.384 7.762 4.668 178 H LEU 26 H LEU 26 -5.055 6.368 3.726 179 HA LEU 26 HA LEU 26 -7.302 5.352 2.304 180 HB2 LEU 26 2HB LEU 26 -4.467 5.959 1.400 181 HB3 LEU 26 3HB LEU 26 -5.717 5.426 0.284 182 HG LEU 26 HG LEU 26 -5.917 7.965 1.947 183 HD11 LEU 26 1HD1 LEU 26 -5.385 9.203 -0.099 184 HD12 LEU 26 2HD1 LEU 26 -5.087 7.686 -0.951 185 HD13 LEU 26 3HD1 LEU 26 -4.047 8.164 0.392 186 HD21 LEU 26 3HD2 LEU 26 -7.591 6.998 -0.396 187 HD22 LEU 26 1HD2 LEU 26 -7.752 8.561 0.410 188 HD23 LEU 26 2HD2 LEU 26 -8.107 7.077 1.290 189 H LEU 27 H LEU 27 -4.314 3.861 3.380 190 HA LEU 27 HA LEU 27 -4.739 1.332 2.074 191 HB2 LEU 27 2HB LEU 27 -3.084 2.066 4.517 192 HB3 LEU 27 3HB LEU 27 -2.997 0.530 3.665 193 HG LEU 27 HG LEU 27 -2.293 3.208 2.406 194 HD11 LEU 27 1HD1 LEU 27 -0.411 1.138 3.541 195 HD12 LEU 27 2HD1 LEU 27 -0.740 2.739 4.211 196 HD13 LEU 27 3HD1 LEU 27 0.049 2.588 2.644 197 HD21 LEU 27 3HD2 LEU 27 -1.794 0.388 1.402 198 HD22 LEU 27 1HD2 LEU 27 -1.265 1.879 0.618 199 HD23 LEU 27 2HD2 LEU 27 -2.984 1.522 0.761 200 H ASP 28 H ASP 28 -5.218 2.556 5.403 201 HA ASP 28 HA ASP 28 -6.111 0.119 6.525 202 HB2 ASP 28 2HB ASP 28 -5.106 1.984 7.809 203 HB3 ASP 28 3HB ASP 28 -6.542 2.960 7.521 204 H THR 29 H THR 29 -7.862 2.610 4.836 205 HA THR 29 HA THR 29 -10.500 1.642 5.642 206 HB THR 29 HB THR 29 -11.344 3.540 4.192 207 HG1 THR 29 HG1 THR 29 -9.111 4.939 3.902 208 HG21 THR 29 3HG2 THR 29 -9.265 4.394 6.237 209 HG22 THR 29 1HG2 THR 29 -10.933 3.937 6.602 210 HG23 THR 29 2HG2 THR 29 -10.603 5.380 5.645 211 H ARG 30 H ARG 30 -8.554 1.958 2.643 212 HA ARG 30 HA ARG 30 -10.678 0.682 1.072 213 HB2 ARG 30 2HB ARG 30 -8.057 1.910 0.122 214 HB3 ARG 30 3HB ARG 30 -9.407 1.418 -0.896 215 HG2 ARG 30 2HG ARG 30 -10.827 3.164 0.101 216 HG3 ARG 30 3HG ARG 30 -9.512 3.638 1.180 217 HD2 ARG 30 2HD ARG 30 -9.752 5.154 -0.787 218 HD3 ARG 30 3HD ARG 30 -8.167 4.383 -0.704 219 HE ARG 30 HE ARG 30 -8.702 3.049 -2.551 220 HH11 ARG 30 1HH1 ARG 30 -11.379 5.210 -1.800 221 HH12 ARG 30 2HH1 ARG 30 -12.145 4.974 -3.339 222 HH21 ARG 30 1HH2 ARG 30 -9.723 2.742 -4.530 223 HH22 ARG 30 2HH2 ARG 30 -11.202 3.572 -4.892 224 H ILE 31 H ILE 31 -7.214 0.095 1.801 225 HA ILE 31 HA ILE 31 -7.159 -2.212 -0.016 226 HB ILE 31 HB ILE 31 -4.876 -0.913 1.532 227 HG12 ILE 31 2HG1 ILE 31 -5.799 0.627 -0.164 228 HG13 ILE 31 3HG1 ILE 31 -4.202 0.077 -0.647 229 HG21 ILE 31 1HG2 ILE 31 -4.373 -3.271 1.031 230 HG22 ILE 31 2HG2 ILE 31 -3.356 -2.204 0.072 231 HG23 ILE 31 3HG2 ILE 31 -4.736 -3.011 -0.680 232 HD11 ILE 31 3HD1 ILE 31 -5.219 -1.463 -2.248 233 HD12 ILE 31 1HD1 ILE 31 -5.720 0.205 -2.529 234 HD13 ILE 31 2HD1 ILE 31 -6.824 -0.923 -1.745 235 H ARG 32 H ARG 32 -6.137 -1.621 3.404 236 HA ARG 32 HA ARG 32 -5.311 -4.153 4.040 237 HB2 ARG 32 2HB ARG 32 -6.616 -2.206 5.983 238 HB3 ARG 32 3HB ARG 32 -5.683 -3.623 6.439 239 HG2 ARG 32 2HG ARG 32 -3.704 -2.574 5.241 240 HG3 ARG 32 3HG ARG 32 -4.672 -1.105 5.096 241 HD2 ARG 32 2HD ARG 32 -3.203 -0.932 7.032 242 HD3 ARG 32 3HD ARG 32 -4.878 -1.046 7.593 243 HE ARG 32 HE ARG 32 -3.137 -3.436 7.460 244 HH11 ARG 32 1HH1 ARG 32 -5.135 -1.304 9.407 245 HH12 ARG 32 2HH1 ARG 32 -5.076 -2.346 10.791 246 HH21 ARG 32 1HH2 ARG 32 -3.108 -4.768 9.258 247 HH22 ARG 32 2HH2 ARG 32 -3.935 -4.294 10.711 248 HA PRO 33 HA PRO 33 -9.754 -5.387 5.868 249 HB2 PRO 33 2HB PRO 33 -11.551 -3.728 4.096 250 HB3 PRO 33 3HB PRO 33 -11.750 -4.157 5.810 251 HG2 PRO 33 2HG PRO 33 -11.040 -1.701 5.140 252 HG3 PRO 33 3HG PRO 33 -10.267 -2.500 6.534 253 HD2 PRO 33 2HD PRO 33 -9.193 -2.123 3.736 254 HD3 PRO 33 3HD PRO 33 -8.365 -1.909 5.297 255 H THR 34 H THR 34 -9.511 -4.421 2.463 256 HA THR 34 HA THR 34 -10.924 -6.552 1.263 257 HB THR 34 HB THR 34 -8.673 -4.828 0.121 258 HG1 THR 34 HG1 THR 34 -10.193 -3.354 -0.244 259 HG21 THR 34 3HG2 THR 34 -9.639 -5.308 -2.094 260 HG22 THR 34 1HG2 THR 34 -10.840 -6.378 -1.360 261 HG23 THR 34 2HG2 THR 34 -9.128 -6.805 -1.318 262 H VAL 35 H VAL 35 -7.433 -6.113 1.935 263 HA VAL 35 HA VAL 35 -6.637 -8.655 0.851 264 HB VAL 35 HB VAL 35 -4.988 -6.919 2.755 265 HG11 VAL 35 1HG1 VAL 35 -4.125 -8.930 0.628 266 HG12 VAL 35 2HG1 VAL 35 -4.056 -9.177 2.372 267 HG13 VAL 35 3HG1 VAL 35 -3.035 -7.955 1.617 268 HG21 VAL 35 3HG2 VAL 35 -5.766 -5.519 0.870 269 HG22 VAL 35 1HG2 VAL 35 -5.148 -6.704 -0.281 270 HG23 VAL 35 2HG2 VAL 35 -4.033 -5.812 0.757 271 H GLN 36 H GLN 36 -7.689 -7.535 4.012 272 HA GLN 36 HA GLN 36 -6.836 -9.828 5.504 273 HB2 GLN 36 2HB GLN 36 -8.832 -7.628 6.147 274 HB3 GLN 36 3HB GLN 36 -8.447 -8.933 7.271 275 HG2 GLN 36 2HG GLN 36 -6.097 -8.234 7.324 276 HG3 GLN 36 3HG GLN 36 -6.433 -6.951 6.161 277 HE21 GLN 36 1HE2 GLN 36 -5.722 -5.329 7.585 278 HE22 GLN 36 2HE2 GLN 36 -6.625 -4.857 8.979 279 H GLU 37 H GLU 37 -9.769 -9.024 3.695 280 HA GLU 37 HA GLU 37 -11.173 -11.459 4.403 281 HB2 GLU 37 2HB GLU 37 -11.634 -9.497 2.121 282 HB3 GLU 37 3HB GLU 37 -12.724 -10.809 2.543 283 HG2 GLU 37 2HG GLU 37 -12.039 -8.473 4.358 284 HG3 GLU 37 3HG GLU 37 -13.474 -8.566 3.348 285 H ASP 38 H ASP 38 -8.862 -10.443 1.953 286 HA ASP 38 HA ASP 38 -8.902 -12.819 0.338 287 HB2 ASP 38 2HB ASP 38 -7.973 -10.791 -0.593 288 HB3 ASP 38 3HB ASP 38 -6.883 -10.580 0.761 289 H GLY 39 H GLY 39 -7.499 -11.989 3.411 290 HA2 GLY 39 2HA GLY 39 -7.078 -13.873 4.929 291 HA3 GLY 39 3HA GLY 39 -6.233 -14.678 3.617 292 H GLY 40 H GLY 40 -5.016 -11.980 2.860 293 HA2 GLY 40 2HA GLY 40 -2.700 -12.091 4.680 294 HA3 GLY 40 3HA GLY 40 -2.780 -11.290 3.119 295 H ASP 41 H ASP 41 -1.826 -9.430 4.084 296 HA ASP 41 HA ASP 41 -3.674 -7.394 4.756 297 HB2 ASP 41 2HB ASP 41 -3.640 -8.449 7.012 298 HB3 ASP 41 3HB ASP 41 -1.882 -8.353 7.046 299 H VAL 42 H VAL 42 -2.579 -5.304 5.013 300 HA VAL 42 HA VAL 42 0.246 -5.203 4.148 301 HB VAL 42 HB VAL 42 -0.198 -3.260 2.699 302 HG11 VAL 42 1HG1 VAL 42 -1.422 -4.337 0.853 303 HG12 VAL 42 2HG1 VAL 42 -2.077 -5.537 1.971 304 HG13 VAL 42 3HG1 VAL 42 -0.345 -5.486 1.647 305 HG21 VAL 42 3HG2 VAL 42 -2.463 -2.468 2.143 306 HG22 VAL 42 1HG2 VAL 42 -2.133 -2.258 3.863 307 HG23 VAL 42 2HG2 VAL 42 -3.160 -3.586 3.317 308 H ILE 43 H ILE 43 1.445 -4.036 5.560 309 HA ILE 43 HA ILE 43 0.072 -2.202 7.461 310 HB ILE 43 HB ILE 43 2.691 -3.696 8.039 311 HG12 ILE 43 2HG1 ILE 43 1.187 -4.927 9.817 312 HG13 ILE 43 3HG1 ILE 43 -0.167 -4.440 8.806 313 HG21 ILE 43 1HG2 ILE 43 2.466 -1.562 9.243 314 HG22 ILE 43 2HG2 ILE 43 2.365 -2.915 10.367 315 HG23 ILE 43 3HG2 ILE 43 0.898 -2.060 9.882 316 HD11 ILE 43 3HD1 ILE 43 0.795 -5.698 6.941 317 HD12 ILE 43 1HD1 ILE 43 0.515 -6.709 8.358 318 HD13 ILE 43 2HD1 ILE 43 2.150 -6.177 7.967 319 H TYR 44 H TYR 44 0.707 -0.114 7.341 320 HA TYR 44 HA TYR 44 2.581 0.762 5.386 321 HB2 TYR 44 2HB TYR 44 0.609 2.114 6.028 322 HB3 TYR 44 3HB TYR 44 1.282 2.349 7.641 323 HD1 TYR 44 HD2 TYR 44 1.897 3.077 4.015 324 HD2 TYR 44 HD1 TYR 44 2.863 4.135 8.041 325 HE1 TYR 44 HE2 TYR 44 3.089 5.062 3.217 326 HE2 TYR 44 HE1 TYR 44 4.059 6.100 7.233 327 HH TYR 44 HH TYR 44 3.736 7.262 4.080 328 H LYS 45 H LYS 45 4.723 0.633 5.570 329 HA LYS 45 HA LYS 45 6.034 0.579 8.197 330 HB2 LYS 45 2HB LYS 45 7.008 -0.226 5.440 331 HB3 LYS 45 3HB LYS 45 8.038 -0.217 6.864 332 HG2 LYS 45 2HG LYS 45 5.537 -1.932 6.574 333 HG3 LYS 45 3HG LYS 45 7.177 -2.476 6.232 334 HD2 LYS 45 2HD LYS 45 6.941 -3.278 8.399 335 HD3 LYS 45 3HD LYS 45 7.641 -1.700 8.738 336 HE2 LYS 45 2HE LYS 45 5.253 -0.854 9.083 337 HE3 LYS 45 3HE LYS 45 4.733 -2.536 8.995 338 HZ1 LYS 45 3HZ LYS 45 6.596 -1.356 10.980 339 HZ2 LYS 45 1HZ LYS 45 6.204 -3.001 10.887 340 HZ3 LYS 45 2HZ LYS 45 5.007 -1.867 11.260 341 H GLY 46 H GLY 46 6.160 2.377 5.086 342 HA2 GLY 46 2HA GLY 46 7.184 4.727 6.332 343 HA3 GLY 46 3HA GLY 46 8.497 3.841 5.567 344 H PHE 47 H PHE 47 8.405 6.137 4.639 345 HA PHE 47 HA PHE 47 7.587 5.893 1.862 346 HB2 PHE 47 2HB PHE 47 5.594 6.951 2.962 347 HB3 PHE 47 3HB PHE 47 6.619 8.230 3.587 348 HD1 PHE 47 HD2 PHE 47 5.628 6.672 0.313 349 HD2 PHE 47 HD1 PHE 47 6.651 10.271 2.377 350 HE1 PHE 47 HE2 PHE 47 5.089 7.981 -1.692 351 HE2 PHE 47 HE1 PHE 47 6.106 11.576 0.363 352 HZ PHE 47 HZ PHE 47 5.325 10.432 -1.673 353 H GLU 48 H GLU 48 9.563 6.276 0.951 354 HA GLU 48 HA GLU 48 11.163 8.598 1.816 355 HB2 GLU 48 2HB GLU 48 12.305 5.794 1.439 356 HB3 GLU 48 3HB GLU 48 13.253 7.247 1.727 357 HG2 GLU 48 2HG GLU 48 12.134 7.467 3.956 358 HG3 GLU 48 3HG GLU 48 11.325 5.930 3.661 359 H ASP 49 H ASP 49 11.728 9.771 0.122 360 HA ASP 49 HA ASP 49 12.063 10.559 -1.966 361 HB2 ASP 49 2HB ASP 49 13.271 7.795 -2.419 362 HB3 ASP 49 3HB ASP 49 13.466 9.152 -3.522 363 H GLY 50 H GLY 50 9.502 9.434 -1.421 364 HA2 GLY 50 2HA GLY 50 7.545 9.494 -2.671 365 HA3 GLY 50 3HA GLY 50 8.470 9.281 -4.147 366 H ILE 51 H ILE 51 9.441 6.944 -1.935 367 HA ILE 51 HA ILE 51 7.824 4.879 -3.294 368 HB ILE 51 HB ILE 51 10.458 4.615 -1.773 369 HG12 ILE 51 2HG1 ILE 51 10.741 5.868 -3.905 370 HG13 ILE 51 3HG1 ILE 51 11.527 4.298 -3.989 371 HG21 ILE 51 1HG2 ILE 51 10.562 2.320 -2.721 372 HG22 ILE 51 2HG2 ILE 51 8.949 2.536 -3.404 373 HG23 ILE 51 3HG2 ILE 51 9.172 2.535 -1.655 374 HD11 ILE 51 3HD1 ILE 51 10.413 4.857 -6.069 375 HD12 ILE 51 1HD1 ILE 51 8.869 5.011 -5.230 376 HD13 ILE 51 2HD1 ILE 51 9.670 3.442 -5.328 377 H VAL 52 H VAL 52 6.129 4.164 -2.162 378 HA VAL 52 HA VAL 52 5.859 4.470 0.719 379 HB VAL 52 HB VAL 52 3.943 3.068 -1.210 380 HG11 VAL 52 1HG1 VAL 52 3.443 4.258 1.552 381 HG12 VAL 52 2HG1 VAL 52 3.521 2.539 1.161 382 HG13 VAL 52 3HG1 VAL 52 2.218 3.531 0.510 383 HG21 VAL 52 3HG2 VAL 52 4.314 5.391 -1.971 384 HG22 VAL 52 1HG2 VAL 52 3.887 5.994 -0.369 385 HG23 VAL 52 2HG2 VAL 52 2.675 5.177 -1.359 386 H GLN 53 H GLN 53 6.844 2.994 1.993 387 HA GLN 53 HA GLN 53 7.426 0.290 1.080 388 HB2 GLN 53 2HB GLN 53 8.177 1.891 3.561 389 HB3 GLN 53 3HB GLN 53 8.621 0.204 3.339 390 HG2 GLN 53 2HG GLN 53 9.902 0.775 1.323 391 HG3 GLN 53 3HG GLN 53 9.435 2.468 1.505 392 HE21 GLN 53 1HE2 GLN 53 11.627 3.027 1.572 393 HE22 GLN 53 2HE2 GLN 53 12.584 2.797 2.997 394 H LEU 54 H LEU 54 6.085 -1.385 1.503 395 HA LEU 54 HA LEU 54 4.153 -1.248 3.748 396 HB2 LEU 54 2HB LEU 54 3.578 -2.213 0.920 397 HB3 LEU 54 3HB LEU 54 2.463 -2.335 2.274 398 HG LEU 54 HG LEU 54 3.431 0.244 0.983 399 HD11 LEU 54 1HD1 LEU 54 1.816 -0.953 -0.394 400 HD12 LEU 54 2HD1 LEU 54 1.120 0.526 0.259 401 HD13 LEU 54 3HD1 LEU 54 0.691 -1.034 0.965 402 HD21 LEU 54 3HD2 LEU 54 1.847 1.398 2.481 403 HD22 LEU 54 1HD2 LEU 54 3.130 0.588 3.382 404 HD23 LEU 54 2HD2 LEU 54 1.518 -0.127 3.307 405 H LYS 55 H LYS 55 3.839 -3.080 4.845 406 HA LYS 55 HA LYS 55 5.574 -5.381 4.360 407 HB2 LYS 55 2HB LYS 55 5.475 -4.298 6.599 408 HB3 LYS 55 3HB LYS 55 3.762 -4.676 6.717 409 HG2 LYS 55 2HG LYS 55 4.316 -7.091 6.705 410 HG3 LYS 55 3HG LYS 55 6.034 -6.684 6.615 411 HD2 LYS 55 2HD LYS 55 5.859 -5.493 8.797 412 HD3 LYS 55 3HD LYS 55 4.149 -5.931 8.894 413 HE2 LYS 55 2HE LYS 55 4.804 -8.336 8.881 414 HE3 LYS 55 3HE LYS 55 6.502 -7.851 8.872 415 HZ1 LYS 55 3HZ LYS 55 5.732 -8.430 11.069 416 HZ2 LYS 55 1HZ LYS 55 4.536 -7.239 11.002 417 HZ3 LYS 55 2HZ LYS 55 6.172 -6.802 11.010 418 H LEU 56 H LEU 56 4.707 -6.915 3.027 419 HA LEU 56 HA LEU 56 1.801 -7.344 2.888 420 HB2 LEU 56 2HB LEU 56 3.996 -8.660 1.235 421 HB3 LEU 56 3HB LEU 56 2.269 -8.735 0.931 422 HG LEU 56 HG LEU 56 4.120 -6.357 0.542 423 HD11 LEU 56 1HD1 LEU 56 4.105 -7.963 -1.288 424 HD12 LEU 56 2HD1 LEU 56 3.354 -6.448 -1.784 425 HD13 LEU 56 3HD1 LEU 56 2.345 -7.848 -1.406 426 HD21 LEU 56 3HD2 LEU 56 2.170 -5.016 -0.149 427 HD22 LEU 56 1HD2 LEU 56 2.092 -5.457 1.557 428 HD23 LEU 56 2HD2 LEU 56 1.093 -6.311 0.380 429 H GLN 57 H GLN 57 0.813 -9.286 3.490 430 HA GLN 57 HA GLN 57 2.391 -10.986 5.337 431 HB2 GLN 57 2HB GLN 57 -0.580 -10.339 5.205 432 HB3 GLN 57 3HB GLN 57 0.072 -11.590 6.259 433 HG2 GLN 57 2HG GLN 57 0.936 -8.684 6.359 434 HG3 GLN 57 3HG GLN 57 -0.333 -9.373 7.370 435 HE21 GLN 57 1HE2 GLN 57 2.351 -8.200 8.031 436 HE22 GLN 57 2HE2 GLN 57 3.128 -9.391 9.005 437 H GLY 58 H GLY 58 1.590 -13.257 5.610 438 HA2 GLY 58 2HA GLY 58 2.172 -14.695 3.251 439 HA3 GLY 58 3HA GLY 58 1.692 -15.380 4.789 440 H SER 59 H SER 59 0.550 -14.079 1.758 441 HA SER 59 HA SER 59 -1.403 -15.958 1.165 442 HB2 SER 59 2HB SER 59 -2.786 -15.052 3.004 443 HB3 SER 59 3HB SER 59 -2.595 -13.422 2.375 444 HG SER 59 HG SER 59 -4.117 -13.786 0.957 445 H CYS 60 H CYS 60 -1.070 -12.422 1.073 446 HA CYS 60 HA CYS 60 -1.423 -12.163 -1.772 447 HB2 CYS 60 2HB CYS 60 -0.726 -9.785 -1.327 448 HB3 CYS 60 3HB CYS 60 -2.054 -10.330 -0.305 449 HG CYS 60 HG CYS 60 1.066 -10.628 0.964 450 H THR 61 H THR 61 1.126 -13.228 0.153 451 HA THR 61 HA THR 61 3.282 -12.400 -1.641 452 HB THR 61 HB THR 61 4.748 -13.422 0.168 453 HG1 THR 61 HG1 THR 61 3.833 -14.215 1.959 454 HG21 THR 61 3HG2 THR 61 2.855 -11.227 1.093 455 HG22 THR 61 1HG2 THR 61 4.324 -10.987 0.141 456 HG23 THR 61 2HG2 THR 61 4.431 -11.598 1.792 457 H SER 62 H SER 62 1.133 -14.924 -1.599 458 HA SER 62 HA SER 62 2.701 -17.258 -1.491 459 HB2 SER 62 2HB SER 62 0.022 -16.861 -2.859 460 HB3 SER 62 3HB SER 62 0.723 -18.418 -2.408 461 HG SER 62 HG SER 62 -0.852 -17.337 -0.911 462 H CYS 63 H CYS 63 2.230 -15.047 -4.145 463 HA CYS 63 HA CYS 63 4.250 -16.502 -5.679 464 HB2 CYS 63 2HB CYS 63 2.943 -16.220 -7.813 465 HB3 CYS 63 3HB CYS 63 2.167 -17.325 -6.683 466 HG CYS 63 HG CYS 63 0.485 -15.097 -5.737 467 HA PRO 64 HA PRO 64 5.870 -12.339 -6.148 468 HB2 PRO 64 2HB PRO 64 7.118 -12.505 -8.637 469 HB3 PRO 64 3HB PRO 64 7.813 -13.156 -7.141 470 HG2 PRO 64 2HG PRO 64 6.292 -14.591 -9.292 471 HG3 PRO 64 3HG PRO 64 7.765 -15.093 -8.426 472 HD2 PRO 64 2HD PRO 64 5.352 -16.093 -7.758 473 HD3 PRO 64 3HD PRO 64 6.577 -15.755 -6.516 474 H SER 65 H SER 65 3.926 -13.738 -8.733 475 HA SER 65 HA SER 65 3.209 -11.501 -10.223 476 HB2 SER 65 2HB SER 65 1.497 -13.922 -9.526 477 HB3 SER 65 3HB SER 65 1.197 -12.815 -10.865 478 HG SER 65 HG SER 65 3.039 -13.515 -11.857 479 H SER 66 H SER 66 1.517 -12.875 -7.358 480 HA SER 66 HA SER 66 -0.542 -10.907 -7.282 481 HB2 SER 66 2HB SER 66 -1.076 -11.913 -5.047 482 HB3 SER 66 3HB SER 66 -0.910 -13.111 -6.329 483 HG SER 66 HG SER 66 1.082 -12.432 -4.412 484 H ILE 67 H ILE 67 2.550 -11.232 -5.592 485 HA ILE 67 HA ILE 67 2.440 -9.174 -3.728 486 HB ILE 67 HB ILE 67 4.777 -10.174 -5.413 487 HG12 ILE 67 2HG1 ILE 67 3.996 -10.764 -2.525 488 HG13 ILE 67 3HG1 ILE 67 3.748 -11.844 -3.890 489 HG21 ILE 67 1HG2 ILE 67 4.959 -8.347 -2.988 490 HG22 ILE 67 2HG2 ILE 67 5.350 -7.913 -4.652 491 HG23 ILE 67 3HG2 ILE 67 6.325 -9.110 -3.805 492 HD11 ILE 67 3HD1 ILE 67 6.191 -12.037 -4.152 493 HD12 ILE 67 1HD1 ILE 67 5.624 -12.554 -2.563 494 HD13 ILE 67 2HD1 ILE 67 6.407 -10.986 -2.748 495 H ILE 68 H ILE 68 3.553 -9.030 -7.087 496 HA ILE 68 HA ILE 68 4.089 -6.228 -7.096 497 HB ILE 68 HB ILE 68 3.807 -8.177 -9.424 498 HG12 ILE 68 2HG1 ILE 68 6.360 -7.144 -8.090 499 HG13 ILE 68 3HG1 ILE 68 5.630 -8.706 -7.738 500 HG21 ILE 68 1HG2 ILE 68 5.034 -5.385 -9.427 501 HG22 ILE 68 2HG2 ILE 68 3.540 -5.867 -10.234 502 HG23 ILE 68 3HG2 ILE 68 5.083 -6.526 -10.772 503 HD11 ILE 68 3HD1 ILE 68 6.738 -7.840 -10.413 504 HD12 ILE 68 1HD1 ILE 68 6.015 -9.411 -10.054 505 HD13 ILE 68 2HD1 ILE 68 7.511 -8.924 -9.258 506 H THR 69 H THR 69 1.315 -8.187 -8.235 507 HA THR 69 HA THR 69 -0.068 -6.141 -9.616 508 HB THR 69 HB THR 69 -1.264 -8.629 -8.309 509 HG1 THR 69 HG1 THR 69 -0.250 -9.659 -9.819 510 HG21 THR 69 3HG2 THR 69 -3.010 -7.016 -8.994 511 HG22 THR 69 1HG2 THR 69 -3.029 -8.436 -10.040 512 HG23 THR 69 2HG2 THR 69 -2.313 -6.928 -10.614 513 H LEU 70 H LEU 70 -0.429 -7.352 -6.266 514 HA LEU 70 HA LEU 70 -2.421 -5.587 -5.363 515 HB2 LEU 70 2HB LEU 70 -1.764 -7.549 -4.065 516 HB3 LEU 70 3HB LEU 70 -0.138 -6.921 -3.863 517 HG LEU 70 HG LEU 70 -1.046 -5.065 -2.451 518 HD11 LEU 70 1HD1 LEU 70 -3.306 -4.899 -3.341 519 HD12 LEU 70 2HD1 LEU 70 -3.345 -5.139 -1.596 520 HD13 LEU 70 3HD1 LEU 70 -3.712 -6.486 -2.680 521 HD21 LEU 70 3HD2 LEU 70 -1.556 -6.414 -0.448 522 HD22 LEU 70 1HD2 LEU 70 -0.175 -7.048 -1.342 523 HD23 LEU 70 2HD2 LEU 70 -1.745 -7.846 -1.460 524 H LYS 71 H LYS 71 1.107 -5.365 -5.205 525 HA LYS 71 HA LYS 71 1.428 -2.880 -3.969 526 HB2 LYS 71 2HB LYS 71 3.188 -4.545 -4.168 527 HB3 LYS 71 3HB LYS 71 3.168 -4.453 -5.913 528 HG2 LYS 71 2HG LYS 71 3.923 -2.010 -4.340 529 HG3 LYS 71 3HG LYS 71 5.086 -3.319 -4.477 530 HD2 LYS 71 2HD LYS 71 3.816 -1.842 -6.822 531 HD3 LYS 71 3HD LYS 71 5.433 -1.547 -6.188 532 HE2 LYS 71 2HE LYS 71 6.081 -3.864 -6.801 533 HE3 LYS 71 3HE LYS 71 4.466 -4.132 -7.460 534 HZ1 LYS 71 3HZ LYS 71 4.873 -2.351 -9.038 535 HZ2 LYS 71 1HZ LYS 71 6.020 -3.586 -9.190 536 HZ3 LYS 71 2HZ LYS 71 6.435 -2.138 -8.420 537 H ASN 72 H ASN 72 0.843 -3.647 -7.376 538 HA ASN 72 HA ASN 72 1.379 -1.007 -8.396 539 HB2 ASN 72 2HB ASN 72 0.070 -3.440 -9.661 540 HB3 ASN 72 3HB ASN 72 0.272 -1.916 -10.521 541 HD21 ASN 72 1HD2 ASN 72 1.371 -4.445 -11.268 542 HD22 ASN 72 2HD2 ASN 72 3.087 -4.275 -11.265 543 H GLY 73 H GLY 73 -1.564 -2.833 -7.577 544 HA2 GLY 73 2HA GLY 73 -3.494 -0.949 -8.442 545 HA3 GLY 73 3HA GLY 73 -3.739 -2.188 -7.212 546 H ILE 74 H ILE 74 -1.886 -1.456 -5.337 547 HA ILE 74 HA ILE 74 -3.031 0.619 -3.827 548 HB ILE 74 HB ILE 74 -0.276 -0.686 -3.654 549 HG12 ILE 74 2HG1 ILE 74 -2.766 -1.147 -1.935 550 HG13 ILE 74 3HG1 ILE 74 -2.245 -2.199 -3.245 551 HG21 ILE 74 1HG2 ILE 74 -0.110 0.236 -1.347 552 HG22 ILE 74 2HG2 ILE 74 -1.564 1.188 -1.635 553 HG23 ILE 74 3HG2 ILE 74 -0.108 1.492 -2.582 554 HD11 ILE 74 3HD1 ILE 74 -1.635 -3.133 -1.106 555 HD12 ILE 74 1HD1 ILE 74 -0.747 -1.672 -0.677 556 HD13 ILE 74 2HD1 ILE 74 -0.177 -2.699 -1.997 557 H GLN 75 H GLN 75 -0.138 0.548 -5.923 558 HA GLN 75 HA GLN 75 0.826 3.132 -5.387 559 HB2 GLN 75 2HB GLN 75 2.091 1.299 -6.573 560 HB3 GLN 75 3HB GLN 75 1.138 1.626 -8.017 561 HG2 GLN 75 2HG GLN 75 2.030 3.997 -7.948 562 HG3 GLN 75 3HG GLN 75 3.098 3.492 -6.642 563 HE21 GLN 75 1HE2 GLN 75 3.591 0.834 -7.894 564 HE22 GLN 75 2HE2 GLN 75 4.651 1.146 -9.218 565 H ASN 76 H ASN 76 -1.336 1.995 -7.986 566 HA ASN 76 HA ASN 76 -1.711 4.447 -9.337 567 HB2 ASN 76 2HB ASN 76 -3.411 1.930 -9.194 568 HB3 ASN 76 3HB ASN 76 -3.885 3.311 -10.174 569 HD21 ASN 76 1HD2 ASN 76 -0.528 2.187 -9.801 570 HD22 ASN 76 2HD2 ASN 76 -0.354 1.671 -11.432 571 H MET 77 H MET 77 -3.491 2.933 -6.656 572 HA MET 77 HA MET 77 -5.607 4.786 -6.393 573 HB2 MET 77 2HB MET 77 -5.474 2.556 -5.243 574 HB3 MET 77 3HB MET 77 -4.218 3.191 -4.190 575 HG2 MET 77 2HG MET 77 -5.939 4.939 -3.439 576 HG3 MET 77 3HG MET 77 -7.140 3.960 -4.280 577 HE1 MET 77 3HE MET 77 -4.767 2.645 -0.544 578 HE2 MET 77 1HE MET 77 -4.716 4.258 -1.255 579 HE3 MET 77 2HE MET 77 -3.962 2.899 -2.094 580 H LEU 78 H LEU 78 -2.494 4.610 -4.641 581 HA LEU 78 HA LEU 78 -2.808 6.959 -3.114 582 HB2 LEU 78 2HB LEU 78 -0.321 5.399 -3.871 583 HB3 LEU 78 3HB LEU 78 -0.329 6.714 -2.710 584 HG LEU 78 HG LEU 78 -1.861 4.109 -2.388 585 HD11 LEU 78 1HD1 LEU 78 0.674 5.010 -0.995 586 HD12 LEU 78 2HD1 LEU 78 0.554 3.746 -2.225 587 HD13 LEU 78 3HD1 LEU 78 -0.238 3.533 -0.666 588 HD21 LEU 78 3HD2 LEU 78 -2.278 4.860 -0.075 589 HD22 LEU 78 1HD2 LEU 78 -2.996 5.962 -1.248 590 HD23 LEU 78 2HD2 LEU 78 -1.497 6.403 -0.426 591 H GLN 79 H GLN 79 -1.423 6.434 -6.339 592 HA GLN 79 HA GLN 79 -0.178 8.991 -6.629 593 HB2 GLN 79 2HB GLN 79 -1.031 6.896 -8.646 594 HB3 GLN 79 3HB GLN 79 -0.411 8.457 -9.174 595 HG2 GLN 79 2HG GLN 79 1.665 7.954 -7.773 596 HG3 GLN 79 3HG GLN 79 1.049 6.305 -7.632 597 HE21 GLN 79 1HE2 GLN 79 2.897 5.524 -8.763 598 HE22 GLN 79 2HE2 GLN 79 3.068 5.715 -10.469 599 H PHE 80 H PHE 80 -3.444 7.816 -7.178 600 HA PHE 80 HA PHE 80 -4.454 9.982 -8.703 601 HB2 PHE 80 2HB PHE 80 -5.648 7.851 -8.594 602 HB3 PHE 80 3HB PHE 80 -5.862 8.007 -6.854 603 HD1 PHE 80 HD1 PHE 80 -6.757 9.718 -10.084 604 HD2 PHE 80 HD2 PHE 80 -7.884 8.953 -6.020 605 HE1 PHE 80 HE1 PHE 80 -8.916 10.832 -10.464 606 HE2 PHE 80 HE2 PHE 80 -10.038 10.069 -6.412 607 HZ PHE 80 HZ PHE 80 -10.557 11.011 -8.631 608 H TYR 81 H TYR 81 -4.393 9.350 -5.207 609 HA TYR 81 HA TYR 81 -5.707 11.857 -4.517 610 HB2 TYR 81 2HB TYR 81 -4.431 9.735 -2.735 611 HB3 TYR 81 3HB TYR 81 -5.400 11.091 -2.168 612 HD1 TYR 81 HD1 TYR 81 -7.880 11.182 -2.829 613 HD2 TYR 81 HD2 TYR 81 -5.488 7.693 -3.419 614 HE1 TYR 81 HE1 TYR 81 -9.912 9.816 -3.010 615 HE2 TYR 81 HE2 TYR 81 -7.513 6.333 -3.607 616 HH TYR 81 HH TYR 81 -10.639 7.689 -3.936 617 H ILE 82 H ILE 82 -2.431 10.698 -4.892 618 HA ILE 82 HA ILE 82 -1.246 13.104 -3.659 619 HB ILE 82 HB ILE 82 -0.458 10.239 -2.927 620 HG12 ILE 82 2HG1 ILE 82 -1.605 12.396 -1.088 621 HG13 ILE 82 3HG1 ILE 82 -2.538 11.066 -1.767 622 HG21 ILE 82 1HG2 ILE 82 1.525 11.670 -3.074 623 HG22 ILE 82 2HG2 ILE 82 1.214 11.208 -1.402 624 HG23 ILE 82 3HG2 ILE 82 0.801 12.831 -1.960 625 HD11 ILE 82 3HD1 ILE 82 -1.972 10.527 0.462 626 HD12 ILE 82 1HD1 ILE 82 -0.270 10.889 0.192 627 HD13 ILE 82 2HD1 ILE 82 -1.013 9.490 -0.588 628 HA PRO 83 HA PRO 83 1.138 12.266 -7.526 629 HB2 PRO 83 2HB PRO 83 2.252 14.739 -7.807 630 HB3 PRO 83 3HB PRO 83 0.547 14.432 -8.196 631 HG2 PRO 83 2HG PRO 83 1.712 15.639 -5.697 632 HG3 PRO 83 3HG PRO 83 0.311 16.172 -6.659 633 HD2 PRO 83 2HD PRO 83 0.033 14.696 -4.372 634 HD3 PRO 83 3HD PRO 83 -1.113 14.592 -5.724 635 H GLU 84 H GLU 84 2.214 13.043 -4.355 636 HA GLU 84 HA GLU 84 5.039 13.118 -4.728 637 HB2 GLU 84 2HB GLU 84 3.572 12.281 -2.189 638 HB3 GLU 84 3HB GLU 84 5.216 12.890 -2.305 639 HG2 GLU 84 2HG GLU 84 2.647 14.435 -2.736 640 HG3 GLU 84 3HG GLU 84 3.812 14.637 -1.429 641 H VAL 85 H VAL 85 2.715 10.517 -4.372 642 HA VAL 85 HA VAL 85 4.588 8.405 -3.856 643 HB VAL 85 HB VAL 85 1.726 8.284 -4.930 644 HG11 VAL 85 1HG1 VAL 85 3.468 6.016 -3.848 645 HG12 VAL 85 2HG1 VAL 85 2.928 6.201 -5.518 646 HG13 VAL 85 3HG1 VAL 85 1.753 5.883 -4.243 647 HG21 VAL 85 3HG2 VAL 85 1.874 9.287 -2.673 648 HG22 VAL 85 1HG2 VAL 85 2.810 7.905 -2.097 649 HG23 VAL 85 2HG2 VAL 85 1.130 7.697 -2.583 650 H GLU 86 H GLU 86 6.175 8.171 -5.289 651 HA GLU 86 HA GLU 86 5.778 8.234 -8.181 652 HB2 GLU 86 2HB GLU 86 8.282 7.837 -6.490 653 HB3 GLU 86 3HB GLU 86 8.260 7.991 -8.245 654 HG2 GLU 86 2HG GLU 86 7.397 10.282 -8.055 655 HG3 GLU 86 3HG GLU 86 7.372 10.140 -6.294 656 H GLY 87 H GLY 87 6.351 5.957 -5.561 657 HA2 GLY 87 2HA GLY 87 5.605 3.689 -7.197 658 HA3 GLY 87 3HA GLY 87 7.298 3.675 -6.711 659 H VAL 88 H VAL 88 5.855 1.610 -5.908 660 HA VAL 88 HA VAL 88 5.749 1.978 -2.970 661 HB VAL 88 HB VAL 88 3.830 0.239 -4.616 662 HG11 VAL 88 1HG1 VAL 88 4.026 0.437 -1.573 663 HG12 VAL 88 2HG1 VAL 88 4.449 -0.969 -2.551 664 HG13 VAL 88 3HG1 VAL 88 2.773 -0.431 -2.468 665 HG21 VAL 88 3HG2 VAL 88 3.158 2.610 -4.577 666 HG22 VAL 88 1HG2 VAL 88 3.237 2.629 -2.814 667 HG23 VAL 88 2HG2 VAL 88 2.029 1.639 -3.636 668 H GLU 89 H GLU 89 6.740 0.322 -1.819 669 HA GLU 89 HA GLU 89 8.152 -1.815 -3.312 670 HB2 GLU 89 2HB GLU 89 9.734 -0.025 -2.679 671 HB3 GLU 89 3HB GLU 89 9.189 -0.086 -1.009 672 HG2 GLU 89 2HG GLU 89 10.107 -2.373 -0.807 673 HG3 GLU 89 3HG GLU 89 10.648 -2.301 -2.481 674 H GLN 90 H GLN 90 8.101 -3.843 -2.362 675 HA GLN 90 HA GLN 90 6.493 -4.294 0.037 676 HB2 GLN 90 2HB GLN 90 6.325 -5.956 -1.778 677 HB3 GLN 90 3HB GLN 90 8.066 -6.230 -1.733 678 HG2 GLN 90 2HG GLN 90 7.773 -7.066 0.653 679 HG3 GLN 90 3HG GLN 90 6.031 -6.984 0.396 680 HE21 GLN 90 1HE2 GLN 90 5.825 -9.225 0.733 681 HE22 GLN 90 2HE2 GLN 90 6.350 -10.383 -0.435 682 H VAL 91 H VAL 91 7.374 -4.218 2.010 683 HA VAL 91 HA VAL 91 10.100 -5.215 2.496 684 HB VAL 91 HB VAL 91 10.262 -3.449 4.372 685 HG11 VAL 91 1HG1 VAL 91 11.591 -3.233 2.301 686 HG12 VAL 91 2HG1 VAL 91 11.082 -1.648 2.880 687 HG13 VAL 91 3HG1 VAL 91 10.252 -2.396 1.513 688 HG21 VAL 91 3HG2 VAL 91 8.022 -2.106 2.805 689 HG22 VAL 91 1HG2 VAL 91 8.925 -1.387 4.143 690 HG23 VAL 91 2HG2 VAL 91 7.881 -2.777 4.429 691 H MET 92 H MET 92 9.621 -7.107 3.484 692 HA MET 92 HA MET 92 7.441 -7.274 5.446 693 HB2 MET 92 2HB MET 92 9.263 -9.414 4.273 694 HB3 MET 92 3HB MET 92 8.027 -9.721 5.487 695 HG2 MET 92 2HG MET 92 6.307 -8.874 3.879 696 HG3 MET 92 3HG MET 92 7.577 -8.726 2.664 697 HE1 MET 92 3HE MET 92 6.247 -12.767 4.493 698 HE2 MET 92 1HE MET 92 5.566 -11.212 4.971 699 HE3 MET 92 2HE MET 92 7.236 -11.612 5.382 700 H ASP 93 H ASP 93 8.139 -6.136 7.162 701 HA ASP 93 HA ASP 93 10.659 -6.062 8.357 702 HB2 ASP 93 2HB ASP 93 8.971 -4.386 8.904 703 HB3 ASP 93 3HB ASP 93 7.897 -5.607 9.571 704 H ASP 94 H ASP 94 11.586 -7.170 10.064 705 HA ASP 94 HA ASP 94 11.530 -9.917 9.909 706 HB2 ASP 94 2HB ASP 94 12.596 -8.174 12.159 707 HB3 ASP 94 3HB ASP 94 12.982 -9.872 11.964 708 H GLU 95 H GLU 95 9.709 -11.015 10.267 709 HA GLU 95 HA GLU 95 8.348 -10.906 12.896 710 HB2 GLU 95 2HB GLU 95 6.226 -11.331 11.704 711 HB3 GLU 95 3HB GLU 95 6.977 -9.857 11.111 712 HG2 GLU 95 2HG GLU 95 7.848 -11.143 9.140 713 HG3 GLU 95 3HG GLU 95 6.971 -12.558 9.716 714 H SER 96 H SER 96 9.761 -12.835 10.371 715 HA SER 96 HA SER 96 8.612 -15.368 11.407 716 HB2 SER 96 2HB SER 96 7.980 -14.819 9.072 717 HB3 SER 96 3HB SER 96 9.678 -14.699 8.625 718 HG SER 96 HG SER 96 9.896 -16.864 8.822 719 H ASP 97 H ASP 97 10.072 -16.188 12.801 720 HA ASP 97 HA ASP 97 12.851 -16.632 11.877 721 HB2 ASP 97 2HB ASP 97 12.895 -14.767 13.516 722 HB3 ASP 97 3HB ASP 97 12.032 -15.754 14.693 Start of MODEL 17 1 H1 MET 1 1H MET 1 34.710 9.619 16.674 2 H2 MET 1 2H MET 1 33.284 8.938 17.277 3 H3 MET 1 3H MET 1 33.678 10.537 17.646 4 HA MET 1 HA MET 1 33.461 11.191 15.373 5 HB2 MET 1 2HB MET 1 32.670 9.630 13.659 6 HB3 MET 1 3HB MET 1 34.148 9.017 14.383 7 HG2 MET 1 2HG MET 1 32.763 7.480 15.794 8 HG3 MET 1 3HG MET 1 31.334 8.046 14.928 9 HE1 MET 1 3HE MET 1 34.987 7.311 13.553 10 HE2 MET 1 1HE MET 1 34.778 5.671 12.944 11 HE3 MET 1 2HE MET 1 34.700 5.981 14.677 12 H GLY 2 H GLY 2 31.310 11.564 14.290 13 HA2 GLY 2 2HA GLY 2 29.023 11.821 14.241 14 HA3 GLY 2 3HA GLY 2 28.888 10.674 15.564 15 H HIS 3 H HIS 3 29.504 14.065 14.747 16 HA HIS 3 HA HIS 3 29.316 15.162 17.372 17 HB2 HIS 3 2HB HIS 3 30.268 16.386 15.421 18 HB3 HIS 3 3HB HIS 3 28.673 16.481 14.691 19 HD1 HIS 3 HD1 HIS 3 26.985 18.166 15.720 20 HD2 HIS 3 HD2 HIS 3 30.739 18.235 17.500 21 HE1 HIS 3 HE1 HIS 3 27.045 20.262 17.099 22 HE2 HIS 3 HE2 HIS 3 29.384 20.357 18.019 23 H HIS 4 H HIS 4 27.034 13.990 15.112 24 HA HIS 4 HA HIS 4 24.589 14.999 16.146 25 HB2 HIS 4 2HB HIS 4 24.808 14.197 13.841 26 HB3 HIS 4 3HB HIS 4 25.291 12.605 14.393 27 HD1 HIS 4 HD1 HIS 4 23.517 10.919 14.360 28 HD2 HIS 4 HD2 HIS 4 21.938 14.755 14.605 29 HE1 HIS 4 HE1 HIS 4 21.030 10.638 14.182 30 HE2 HIS 4 HE2 HIS 4 20.129 12.976 14.138 31 H HIS 5 H HIS 5 26.733 13.179 17.802 32 HA HIS 5 HA HIS 5 25.596 10.988 18.954 33 HB2 HIS 5 2HB HIS 5 27.880 11.851 19.456 34 HB3 HIS 5 3HB HIS 5 27.190 13.147 20.418 35 HD1 HIS 5 HD1 HIS 5 28.416 9.719 20.645 36 HD2 HIS 5 HD2 HIS 5 25.928 12.170 22.891 37 HE1 HIS 5 HE1 HIS 5 28.239 8.627 22.893 38 HE2 HIS 5 HE2 HIS 5 26.680 10.091 24.214 39 H HIS 6 H HIS 6 25.195 14.321 20.240 40 HA HIS 6 HA HIS 6 22.980 13.537 21.933 41 HB2 HIS 6 2HB HIS 6 22.852 15.856 22.635 42 HB3 HIS 6 3HB HIS 6 24.542 15.401 22.575 43 HD1 HIS 6 HD1 HIS 6 22.417 18.105 21.739 44 HD2 HIS 6 HD2 HIS 6 25.689 16.369 19.866 45 HE1 HIS 6 HE1 HIS 6 23.271 19.837 20.148 46 HE2 HIS 6 HE2 HIS 6 25.061 18.644 18.842 47 H HIS 7 H HIS 7 21.134 12.892 20.914 48 HA HIS 7 HA HIS 7 19.654 14.747 19.268 49 HB2 HIS 7 2HB HIS 7 19.442 13.376 17.270 50 HB3 HIS 7 3HB HIS 7 21.158 13.594 17.583 51 HD1 HIS 7 HD1 HIS 7 22.424 11.439 18.645 52 HD2 HIS 7 HD2 HIS 7 18.644 10.732 17.061 53 HE1 HIS 7 HE1 HIS 7 22.282 8.956 18.289 54 HE2 HIS 7 HE2 HIS 7 20.032 8.569 17.240 55 H HIS 8 H HIS 8 17.525 14.462 19.581 56 HA HIS 8 HA HIS 8 16.418 12.039 20.774 57 HB2 HIS 8 2HB HIS 8 15.464 14.320 21.292 58 HB3 HIS 8 3HB HIS 8 14.998 14.498 19.607 59 HD1 HIS 8 HD1 HIS 8 12.847 13.308 18.848 60 HD2 HIS 8 HD2 HIS 8 13.886 12.447 22.779 61 HE1 HIS 8 HE1 HIS 8 10.875 12.097 19.821 62 HE2 HIS 8 HE2 HIS 8 11.508 11.649 22.219 63 H SER 9 H SER 9 14.821 10.723 19.551 64 HA SER 9 HA SER 9 15.419 10.095 16.872 65 HB2 SER 9 2HB SER 9 12.824 9.578 18.407 66 HB3 SER 9 3HB SER 9 13.352 8.726 16.953 67 HG SER 9 HG SER 9 13.913 7.471 18.666 68 H HIS 10 H HIS 10 15.201 11.496 15.241 69 HA HIS 10 HA HIS 10 14.211 14.059 15.607 70 HB2 HIS 10 2HB HIS 10 14.849 14.522 13.300 71 HB3 HIS 10 3HB HIS 10 16.057 13.468 14.015 72 HD1 HIS 10 HD1 HIS 10 14.034 13.863 11.057 73 HD2 HIS 10 HD2 HIS 10 15.666 10.641 13.119 74 HE1 HIS 10 HE1 HIS 10 13.997 11.930 9.449 75 HE2 HIS 10 HE2 HIS 10 14.832 9.971 10.782 76 H MET 11 H MET 11 12.710 11.348 13.982 77 HA MET 11 HA MET 11 10.647 10.744 13.528 78 HB2 MET 11 2HB MET 11 8.787 11.488 14.686 79 HB3 MET 11 3HB MET 11 10.095 11.981 15.738 80 HG2 MET 11 2HG MET 11 9.851 14.319 14.899 81 HG3 MET 11 3HG MET 11 8.509 13.791 13.883 82 HE1 MET 11 3HE MET 11 9.833 14.180 17.573 83 HE2 MET 11 1HE MET 11 9.329 12.489 17.528 84 HE3 MET 11 2HE MET 11 8.433 13.649 18.505 85 H GLY 12 H GLY 12 11.216 14.142 12.649 86 HA2 GLY 12 2HA GLY 12 9.356 14.185 10.466 87 HA3 GLY 12 3HA GLY 12 10.654 15.335 10.764 88 H SER 13 H SER 13 9.973 12.105 9.539 89 HA SER 13 HA SER 13 12.394 11.652 8.162 90 HB2 SER 13 2HB SER 13 10.964 9.935 6.899 91 HB3 SER 13 3HB SER 13 11.006 9.765 8.656 92 HG SER 13 HG SER 13 8.943 10.940 7.087 93 H GLU 14 H GLU 14 13.119 12.995 6.656 94 HA GLU 14 HA GLU 14 13.413 14.239 4.825 95 HB2 GLU 14 2HB GLU 14 10.603 13.430 3.997 96 HB3 GLU 14 3HB GLU 14 11.790 14.214 2.952 97 HG2 GLU 14 2HG GLU 14 13.258 12.267 3.091 98 HG3 GLU 14 3HG GLU 14 12.174 11.488 4.243 99 H GLU 15 H GLU 15 9.954 14.756 5.687 100 HA GLU 15 HA GLU 15 10.567 17.512 6.500 101 HB2 GLU 15 2HB GLU 15 9.857 17.614 4.117 102 HB3 GLU 15 3HB GLU 15 8.360 16.784 4.527 103 HG2 GLU 15 2HG GLU 15 7.984 19.194 4.254 104 HG3 GLU 15 3HG GLU 15 7.647 18.684 5.906 105 H ASP 16 H ASP 16 7.433 15.867 6.036 106 HA ASP 16 HA ASP 16 6.973 15.922 8.960 107 HB2 ASP 16 2HB ASP 16 5.311 17.276 6.811 108 HB3 ASP 16 3HB ASP 16 4.547 16.753 8.305 109 H ASP 17 H ASP 17 4.837 14.921 9.494 110 HA ASP 17 HA ASP 17 4.538 12.297 8.246 111 HB2 ASP 17 2HB ASP 17 4.698 12.573 10.752 112 HB3 ASP 17 3HB ASP 17 3.210 13.505 10.725 113 H GLY 18 H GLY 18 3.373 15.231 7.378 114 HA2 GLY 18 2HA GLY 18 0.563 15.131 7.545 115 HA3 GLY 18 3HA GLY 18 1.483 16.118 6.428 116 H VAL 19 H VAL 19 2.568 14.565 4.593 117 HA VAL 19 HA VAL 19 0.449 13.521 3.020 118 HB VAL 19 HB VAL 19 3.454 13.037 2.676 119 HG11 VAL 19 1HG1 VAL 19 2.146 11.377 1.408 120 HG12 VAL 19 2HG1 VAL 19 2.925 12.518 0.311 121 HG13 VAL 19 3HG1 VAL 19 1.201 12.670 0.662 122 HG21 VAL 19 3HG2 VAL 19 2.883 15.436 2.642 123 HG22 VAL 19 1HG2 VAL 19 1.669 15.138 1.393 124 HG23 VAL 19 2HG2 VAL 19 3.381 14.885 1.040 125 H VAL 20 H VAL 20 2.854 12.021 5.125 126 HA VAL 20 HA VAL 20 2.444 9.295 4.584 127 HB VAL 20 HB VAL 20 3.242 10.597 7.240 128 HG11 VAL 20 1HG1 VAL 20 4.338 8.446 7.801 129 HG12 VAL 20 2HG1 VAL 20 3.698 7.738 6.314 130 HG13 VAL 20 3HG1 VAL 20 2.595 8.250 7.590 131 HG21 VAL 20 3HG2 VAL 20 5.588 10.218 6.524 132 HG22 VAL 20 1HG2 VAL 20 4.731 11.280 5.404 133 HG23 VAL 20 2HG2 VAL 20 5.009 9.592 4.977 134 H ALA 21 H ALA 21 0.690 11.547 6.651 135 HA ALA 21 HA ALA 21 -0.791 9.705 8.215 136 HB1 ALA 21 3HB ALA 21 -1.420 12.617 7.618 137 HB2 ALA 21 1HB ALA 21 -0.388 12.025 8.921 138 HB3 ALA 21 2HB ALA 21 -2.113 11.652 8.926 139 H MET 22 H MET 22 -1.644 11.501 5.239 140 HA MET 22 HA MET 22 -4.318 10.454 5.138 141 HB2 MET 22 2HB MET 22 -4.486 11.491 2.927 142 HB3 MET 22 3HB MET 22 -3.811 12.611 4.097 143 HG2 MET 22 2HG MET 22 -1.589 12.310 3.175 144 HG3 MET 22 3HG MET 22 -2.178 11.067 2.069 145 HE1 MET 22 3HE MET 22 -4.541 13.186 -0.274 146 HE2 MET 22 1HE MET 22 -5.047 12.414 1.229 147 HE3 MET 22 2HE MET 22 -3.959 11.572 0.126 148 H ILE 23 H ILE 23 -1.207 9.351 3.882 149 HA ILE 23 HA ILE 23 -2.198 7.321 2.147 150 HB ILE 23 HB ILE 23 0.448 7.340 3.686 151 HG12 ILE 23 2HG1 ILE 23 -0.152 8.235 0.834 152 HG13 ILE 23 3HG1 ILE 23 0.179 9.306 2.184 153 HG21 ILE 23 1HG2 ILE 23 -0.118 5.073 2.902 154 HG22 ILE 23 2HG2 ILE 23 1.245 5.716 1.990 155 HG23 ILE 23 3HG2 ILE 23 -0.363 5.683 1.265 156 HD11 ILE 23 3HD1 ILE 23 2.107 9.126 0.757 157 HD12 ILE 23 1HD1 ILE 23 2.120 7.369 0.923 158 HD13 ILE 23 2HD1 ILE 23 2.460 8.393 2.321 159 H LYS 24 H LYS 24 -1.473 7.409 5.651 160 HA LYS 24 HA LYS 24 -1.785 4.755 6.403 161 HB2 LYS 24 2HB LYS 24 -2.795 7.170 7.969 162 HB3 LYS 24 3HB LYS 24 -2.495 5.567 8.640 163 HG2 LYS 24 2HG LYS 24 -0.112 5.795 8.216 164 HG3 LYS 24 3HG LYS 24 -0.376 7.354 7.431 165 HD2 LYS 24 2HD LYS 24 -1.331 8.199 9.640 166 HD3 LYS 24 3HD LYS 24 -0.802 6.678 10.369 167 HE2 LYS 24 2HE LYS 24 1.519 7.186 9.818 168 HE3 LYS 24 3HE LYS 24 1.028 8.658 8.977 169 HZ1 LYS 24 3HZ LYS 24 1.828 9.195 11.147 170 HZ2 LYS 24 1HZ LYS 24 0.751 8.115 11.882 171 HZ3 LYS 24 2HZ LYS 24 0.168 9.494 11.095 172 H GLU 25 H GLU 25 -4.347 7.223 5.953 173 HA GLU 25 HA GLU 25 -6.454 5.484 6.821 174 HB2 GLU 25 2HB GLU 25 -7.986 7.245 6.389 175 HB3 GLU 25 3HB GLU 25 -6.528 8.030 6.978 176 HG2 GLU 25 2HG GLU 25 -5.936 8.604 4.627 177 HG3 GLU 25 3HG GLU 25 -7.454 7.873 4.091 178 H LEU 26 H LEU 26 -5.254 6.584 3.601 179 HA LEU 26 HA LEU 26 -7.292 5.430 2.028 180 HB2 LEU 26 2HB LEU 26 -4.405 6.073 1.338 181 HB3 LEU 26 3HB LEU 26 -5.595 5.587 0.138 182 HG LEU 26 HG LEU 26 -5.740 8.106 1.848 183 HD11 LEU 26 1HD1 LEU 26 -5.114 7.808 -1.100 184 HD12 LEU 26 2HD1 LEU 26 -3.967 8.231 0.178 185 HD13 LEU 26 3HD1 LEU 26 -5.290 9.326 -0.210 186 HD21 LEU 26 3HD2 LEU 26 -7.974 7.267 1.332 187 HD22 LEU 26 1HD2 LEU 26 -7.575 7.193 -0.389 188 HD23 LEU 26 2HD2 LEU 26 -7.638 8.750 0.444 189 H LEU 27 H LEU 27 -4.323 4.038 3.339 190 HA LEU 27 HA LEU 27 -4.506 1.509 2.003 191 HB2 LEU 27 2HB LEU 27 -3.112 2.279 4.596 192 HB3 LEU 27 3HB LEU 27 -2.887 0.747 3.762 193 HG LEU 27 HG LEU 27 -2.150 3.466 2.607 194 HD11 LEU 27 1HD1 LEU 27 -0.746 2.938 4.524 195 HD12 LEU 27 2HD1 LEU 27 0.170 2.863 3.021 196 HD13 LEU 27 3HD1 LEU 27 -0.340 1.371 3.817 197 HD21 LEU 27 3HD2 LEU 27 -0.982 2.203 0.870 198 HD22 LEU 27 1HD2 LEU 27 -2.702 1.818 0.877 199 HD23 LEU 27 2HD2 LEU 27 -1.541 0.682 1.573 200 H ASP 28 H ASP 28 -5.369 2.658 5.277 201 HA ASP 28 HA ASP 28 -6.181 0.118 6.264 202 HB2 ASP 28 2HB ASP 28 -5.320 2.030 7.665 203 HB3 ASP 28 3HB ASP 28 -6.843 2.870 7.396 204 H THR 29 H THR 29 -7.882 2.581 4.517 205 HA THR 29 HA THR 29 -10.545 1.612 5.231 206 HB THR 29 HB THR 29 -11.338 3.524 3.797 207 HG1 THR 29 HG1 THR 29 -9.382 5.028 3.377 208 HG21 THR 29 3HG2 THR 29 -10.984 3.894 6.213 209 HG22 THR 29 1HG2 THR 29 -10.594 5.344 5.282 210 HG23 THR 29 2HG2 THR 29 -9.297 4.319 5.903 211 H ARG 30 H ARG 30 -8.570 2.025 2.236 212 HA ARG 30 HA ARG 30 -10.574 0.599 0.657 213 HB2 ARG 30 2HB ARG 30 -7.985 1.955 -0.171 214 HB3 ARG 30 3HB ARG 30 -9.131 1.209 -1.283 215 HG2 ARG 30 2HG ARG 30 -10.873 2.868 -0.376 216 HG3 ARG 30 3HG ARG 30 -9.525 3.713 0.393 217 HD2 ARG 30 2HD ARG 30 -10.123 4.717 -1.798 218 HD3 ARG 30 3HD ARG 30 -8.480 4.066 -1.806 219 HE ARG 30 HE ARG 30 -10.032 2.001 -2.726 220 HH11 ARG 30 1HH1 ARG 30 -9.544 5.308 -3.864 221 HH12 ARG 30 2HH1 ARG 30 -9.854 4.886 -5.518 222 HH21 ARG 30 1HH2 ARG 30 -10.402 1.484 -4.868 223 HH22 ARG 30 2HH2 ARG 30 -10.341 2.717 -6.090 224 H ILE 31 H ILE 31 -7.119 0.149 1.560 225 HA ILE 31 HA ILE 31 -6.922 -2.173 -0.210 226 HB ILE 31 HB ILE 31 -4.786 -0.774 1.437 227 HG12 ILE 31 2HG1 ILE 31 -5.603 0.658 -0.375 228 HG13 ILE 31 3HG1 ILE 31 -3.979 0.105 -0.760 229 HG21 ILE 31 1HG2 ILE 31 -4.174 -3.118 1.101 230 HG22 ILE 31 2HG2 ILE 31 -3.125 -2.075 0.142 231 HG23 ILE 31 3HG2 ILE 31 -4.439 -2.966 -0.635 232 HD11 ILE 31 3HD1 ILE 31 -5.425 0.119 -2.707 233 HD12 ILE 31 1HD1 ILE 31 -6.542 -0.998 -1.924 234 HD13 ILE 31 2HD1 ILE 31 -4.904 -1.525 -2.337 235 H ARG 32 H ARG 32 -5.990 -1.589 3.245 236 HA ARG 32 HA ARG 32 -5.254 -4.087 3.962 237 HB2 ARG 32 2HB ARG 32 -6.677 -2.087 5.738 238 HB3 ARG 32 3HB ARG 32 -5.947 -3.570 6.345 239 HG2 ARG 32 2HG ARG 32 -3.750 -2.698 5.328 240 HG3 ARG 32 3HG ARG 32 -4.567 -1.138 5.185 241 HD2 ARG 32 2HD ARG 32 -3.263 -1.231 7.259 242 HD3 ARG 32 3HD ARG 32 -4.989 -1.180 7.651 243 HE ARG 32 HE ARG 32 -3.571 -3.771 7.510 244 HH11 ARG 32 1HH1 ARG 32 -5.309 -1.439 9.539 245 HH12 ARG 32 2HH1 ARG 32 -5.463 -2.554 10.860 246 HH21 ARG 32 1HH2 ARG 32 -3.853 -5.200 9.214 247 HH22 ARG 32 2HH2 ARG 32 -4.639 -4.684 10.676 248 HA PRO 33 HA PRO 33 -9.790 -5.368 5.564 249 HB2 PRO 33 2HB PRO 33 -11.515 -3.788 3.657 250 HB3 PRO 33 3HB PRO 33 -11.783 -4.174 5.373 251 HG2 PRO 33 2HG PRO 33 -11.081 -1.719 4.680 252 HG3 PRO 33 3HG PRO 33 -10.365 -2.474 6.126 253 HD2 PRO 33 2HD PRO 33 -9.155 -2.161 3.377 254 HD3 PRO 33 3HD PRO 33 -8.422 -1.879 4.968 255 H THR 34 H THR 34 -9.441 -4.472 2.125 256 HA THR 34 HA THR 34 -10.785 -6.682 0.975 257 HB THR 34 HB THR 34 -8.605 -4.941 -0.270 258 HG1 THR 34 HG1 THR 34 -10.063 -3.414 -0.400 259 HG21 THR 34 3HG2 THR 34 -9.176 -6.958 -1.630 260 HG22 THR 34 1HG2 THR 34 -9.669 -5.456 -2.421 261 HG23 THR 34 2HG2 THR 34 -10.871 -6.467 -1.615 262 H VAL 35 H VAL 35 -7.351 -6.048 1.689 263 HA VAL 35 HA VAL 35 -6.339 -8.492 0.591 264 HB VAL 35 HB VAL 35 -4.931 -6.767 2.680 265 HG11 VAL 35 1HG1 VAL 35 -3.838 -8.933 2.215 266 HG12 VAL 35 2HG1 VAL 35 -2.852 -7.596 1.625 267 HG13 VAL 35 3HG1 VAL 35 -3.802 -8.561 0.493 268 HG21 VAL 35 3HG2 VAL 35 -5.716 -5.328 0.832 269 HG22 VAL 35 1HG2 VAL 35 -4.903 -6.376 -0.329 270 HG23 VAL 35 2HG2 VAL 35 -3.957 -5.456 0.846 271 H GLN 36 H GLN 36 -7.524 -7.518 3.752 272 HA GLN 36 HA GLN 36 -6.670 -9.765 5.275 273 HB2 GLN 36 2HB GLN 36 -8.889 -7.719 5.694 274 HB3 GLN 36 3HB GLN 36 -8.571 -9.003 6.858 275 HG2 GLN 36 2HG GLN 36 -6.386 -8.154 7.338 276 HG3 GLN 36 3HG GLN 36 -6.447 -7.036 5.977 277 HE21 GLN 36 1HE2 GLN 36 -5.996 -5.265 7.316 278 HE22 GLN 36 2HE2 GLN 36 -7.167 -4.610 8.401 279 H GLU 37 H GLU 37 -9.583 -9.085 3.372 280 HA GLU 37 HA GLU 37 -10.920 -11.574 3.887 281 HB2 GLU 37 2HB GLU 37 -11.221 -9.558 1.615 282 HB3 GLU 37 3HB GLU 37 -12.331 -10.894 1.921 283 HG2 GLU 37 2HG GLU 37 -13.044 -9.933 4.015 284 HG3 GLU 37 3HG GLU 37 -11.786 -8.699 3.947 285 H ASP 38 H ASP 38 -8.503 -10.472 1.614 286 HA ASP 38 HA ASP 38 -8.552 -12.723 -0.166 287 HB2 ASP 38 2HB ASP 38 -7.748 -10.571 -0.962 288 HB3 ASP 38 3HB ASP 38 -6.562 -10.468 0.327 289 H GLY 39 H GLY 39 -7.032 -12.075 2.924 290 HA2 GLY 39 2HA GLY 39 -6.497 -14.028 4.275 291 HA3 GLY 39 3HA GLY 39 -5.770 -14.774 2.862 292 H GLY 40 H GLY 40 -4.784 -11.702 2.563 293 HA2 GLY 40 2HA GLY 40 -2.359 -12.003 4.274 294 HA3 GLY 40 3HA GLY 40 -2.449 -11.090 2.768 295 H ASP 41 H ASP 41 -1.604 -9.273 3.898 296 HA ASP 41 HA ASP 41 -3.559 -7.342 4.430 297 HB2 ASP 41 2HB ASP 41 -3.650 -8.387 6.706 298 HB3 ASP 41 3HB ASP 41 -1.923 -8.102 6.902 299 H VAL 42 H VAL 42 -2.527 -5.198 4.874 300 HA VAL 42 HA VAL 42 0.325 -5.062 4.089 301 HB VAL 42 HB VAL 42 -0.075 -3.068 2.736 302 HG11 VAL 42 1HG1 VAL 42 -0.321 -5.237 1.586 303 HG12 VAL 42 2HG1 VAL 42 -1.352 -4.009 0.852 304 HG13 VAL 42 3HG1 VAL 42 -2.054 -5.228 1.920 305 HG21 VAL 42 3HG2 VAL 42 -1.943 -2.044 3.965 306 HG22 VAL 42 1HG2 VAL 42 -3.030 -3.312 3.396 307 HG23 VAL 42 2HG2 VAL 42 -2.324 -2.171 2.247 308 H ILE 43 H ILE 43 1.513 -3.942 5.558 309 HA ILE 43 HA ILE 43 0.125 -2.228 7.548 310 HB ILE 43 HB ILE 43 2.697 -3.796 8.092 311 HG12 ILE 43 2HG1 ILE 43 1.147 -5.118 9.762 312 HG13 ILE 43 3HG1 ILE 43 -0.182 -4.544 8.764 313 HG21 ILE 43 1HG2 ILE 43 0.883 -2.226 9.956 314 HG22 ILE 43 2HG2 ILE 43 2.487 -1.736 9.409 315 HG23 ILE 43 3HG2 ILE 43 2.307 -3.147 10.453 316 HD11 ILE 43 3HD1 ILE 43 0.777 -5.715 6.838 317 HD12 ILE 43 1HD1 ILE 43 0.471 -6.807 8.188 318 HD13 ILE 43 2HD1 ILE 43 2.115 -6.269 7.847 319 H TYR 44 H TYR 44 0.860 -0.182 7.656 320 HA TYR 44 HA TYR 44 2.694 0.737 5.661 321 HB2 TYR 44 2HB TYR 44 0.560 1.923 6.483 322 HB3 TYR 44 3HB TYR 44 1.481 2.405 7.903 323 HD1 TYR 44 HD2 TYR 44 3.542 2.370 4.914 324 HD2 TYR 44 HD1 TYR 44 0.672 4.688 7.055 325 HE1 TYR 44 HE2 TYR 44 4.236 4.363 3.688 326 HE2 TYR 44 HE1 TYR 44 1.369 6.676 5.818 327 HH TYR 44 HH TYR 44 3.353 7.490 4.596 328 H LYS 45 H LYS 45 4.834 1.083 5.890 329 HA LYS 45 HA LYS 45 6.074 0.798 8.578 330 HB2 LYS 45 2HB LYS 45 7.125 -0.135 5.882 331 HB3 LYS 45 3HB LYS 45 7.964 -0.325 7.417 332 HG2 LYS 45 2HG LYS 45 5.230 -1.531 6.992 333 HG3 LYS 45 3HG LYS 45 6.671 -2.332 6.385 334 HD2 LYS 45 2HD LYS 45 6.518 -3.397 8.404 335 HD3 LYS 45 3HD LYS 45 7.489 -2.030 8.920 336 HE2 LYS 45 2HE LYS 45 4.476 -2.116 9.201 337 HE3 LYS 45 3HE LYS 45 5.575 -2.723 10.433 338 HZ1 LYS 45 3HZ LYS 45 6.578 -0.418 10.404 339 HZ2 LYS 45 1HZ LYS 45 5.040 -0.575 11.086 340 HZ3 LYS 45 2HZ LYS 45 5.210 0.065 9.540 341 H GLY 46 H GLY 46 6.226 2.501 5.448 342 HA2 GLY 46 2HA GLY 46 7.333 4.848 6.590 343 HA3 GLY 46 3HA GLY 46 8.625 3.928 5.829 344 H PHE 47 H PHE 47 8.359 6.281 4.832 345 HA PHE 47 HA PHE 47 7.363 5.909 2.112 346 HB2 PHE 47 2HB PHE 47 5.390 6.874 3.271 347 HB3 PHE 47 3HB PHE 47 6.371 8.170 3.936 348 HD1 PHE 47 HD2 PHE 47 5.827 6.751 0.477 349 HD2 PHE 47 HD1 PHE 47 5.822 10.228 2.976 350 HE1 PHE 47 HE2 PHE 47 5.195 8.146 -1.449 351 HE2 PHE 47 HE1 PHE 47 5.184 11.605 1.046 352 HZ PHE 47 HZ PHE 47 4.874 10.569 -1.167 353 H GLU 48 H GLU 48 9.189 6.396 0.991 354 HA GLU 48 HA GLU 48 10.881 8.688 1.783 355 HB2 GLU 48 2HB GLU 48 11.973 5.873 1.311 356 HB3 GLU 48 3HB GLU 48 12.944 7.323 1.562 357 HG2 GLU 48 2HG GLU 48 11.893 7.532 3.848 358 HG3 GLU 48 3HG GLU 48 11.132 5.962 3.574 359 H ASP 49 H ASP 49 11.182 9.887 0.030 360 HA ASP 49 HA ASP 49 11.704 10.643 -2.027 361 HB2 ASP 49 2HB ASP 49 12.706 7.802 -2.522 362 HB3 ASP 49 3HB ASP 49 13.054 9.185 -3.555 363 H GLY 50 H GLY 50 9.109 9.279 -1.417 364 HA2 GLY 50 2HA GLY 50 7.139 9.480 -2.697 365 HA3 GLY 50 3HA GLY 50 8.053 9.184 -4.168 366 H ILE 51 H ILE 51 9.132 6.969 -1.988 367 HA ILE 51 HA ILE 51 7.488 4.857 -3.185 368 HB ILE 51 HB ILE 51 10.094 4.594 -1.615 369 HG12 ILE 51 2HG1 ILE 51 10.534 5.867 -3.665 370 HG13 ILE 51 3HG1 ILE 51 11.185 4.245 -3.855 371 HG21 ILE 51 1HG2 ILE 51 8.765 2.537 -1.584 372 HG22 ILE 51 2HG2 ILE 51 10.198 2.326 -2.592 373 HG23 ILE 51 3HG2 ILE 51 8.621 2.579 -3.345 374 HD11 ILE 51 3HD1 ILE 51 9.201 3.661 -5.222 375 HD12 ILE 51 1HD1 ILE 51 10.169 4.979 -5.883 376 HD13 ILE 51 2HD1 ILE 51 8.649 5.335 -5.066 377 H VAL 52 H VAL 52 5.751 4.364 -2.032 378 HA VAL 52 HA VAL 52 5.531 4.631 0.831 379 HB VAL 52 HB VAL 52 3.589 3.304 -1.121 380 HG11 VAL 52 1HG1 VAL 52 3.118 4.321 1.702 381 HG12 VAL 52 2HG1 VAL 52 3.190 2.628 1.211 382 HG13 VAL 52 3HG1 VAL 52 1.883 3.660 0.626 383 HG21 VAL 52 3HG2 VAL 52 2.345 5.428 -1.120 384 HG22 VAL 52 1HG2 VAL 52 3.978 5.653 -1.752 385 HG23 VAL 52 2HG2 VAL 52 3.587 6.169 -0.108 386 H GLN 53 H GLN 53 6.566 3.173 2.044 387 HA GLN 53 HA GLN 53 7.200 0.504 1.045 388 HB2 GLN 53 2HB GLN 53 8.244 2.131 3.398 389 HB3 GLN 53 3HB GLN 53 8.809 0.509 2.992 390 HG2 GLN 53 2HG GLN 53 9.678 1.285 0.855 391 HG3 GLN 53 3HG GLN 53 8.970 2.880 1.101 392 HE21 GLN 53 1HE2 GLN 53 11.008 3.841 0.806 393 HE22 GLN 53 2HE2 GLN 53 12.212 3.809 2.044 394 H LEU 54 H LEU 54 5.987 -1.155 1.621 395 HA LEU 54 HA LEU 54 4.293 -1.100 4.044 396 HB2 LEU 54 2HB LEU 54 3.530 -2.212 1.306 397 HB3 LEU 54 3HB LEU 54 2.523 -2.245 2.748 398 HG LEU 54 HG LEU 54 3.343 0.235 1.186 399 HD11 LEU 54 1HD1 LEU 54 1.667 -1.088 0.024 400 HD12 LEU 54 2HD1 LEU 54 0.969 0.411 0.627 401 HD13 LEU 54 3HD1 LEU 54 0.642 -1.111 1.463 402 HD21 LEU 54 3HD2 LEU 54 1.628 0.007 3.676 403 HD22 LEU 54 1HD2 LEU 54 1.826 1.461 2.688 404 HD23 LEU 54 2HD2 LEU 54 3.210 0.785 3.540 405 H LYS 55 H LYS 55 4.299 -2.939 5.207 406 HA LYS 55 HA LYS 55 5.906 -5.235 4.434 407 HB2 LYS 55 2HB LYS 55 5.943 -4.360 6.770 408 HB3 LYS 55 3HB LYS 55 4.228 -4.713 6.938 409 HG2 LYS 55 2HG LYS 55 4.744 -7.140 6.634 410 HG3 LYS 55 3HG LYS 55 6.465 -6.733 6.568 411 HD2 LYS 55 2HD LYS 55 6.289 -5.766 8.870 412 HD3 LYS 55 3HD LYS 55 4.593 -6.255 8.929 413 HE2 LYS 55 2HE LYS 55 5.308 -8.624 8.675 414 HE3 LYS 55 3HE LYS 55 6.994 -8.099 8.699 415 HZ1 LYS 55 3HZ LYS 55 5.013 -7.803 10.898 416 HZ2 LYS 55 1HZ LYS 55 6.591 -7.188 10.939 417 HZ3 LYS 55 2HZ LYS 55 6.334 -8.861 10.870 418 H LEU 56 H LEU 56 4.940 -6.752 3.151 419 HA LEU 56 HA LEU 56 2.003 -7.029 3.116 420 HB2 LEU 56 2HB LEU 56 4.028 -8.374 1.282 421 HB3 LEU 56 3HB LEU 56 2.287 -8.293 1.054 422 HG LEU 56 HG LEU 56 4.290 -6.016 0.795 423 HD11 LEU 56 1HD1 LEU 56 2.446 -7.268 -1.256 424 HD12 LEU 56 2HD1 LEU 56 4.193 -7.498 -1.133 425 HD13 LEU 56 3HD1 LEU 56 3.543 -5.909 -1.525 426 HD21 LEU 56 3HD2 LEU 56 1.267 -5.828 0.668 427 HD22 LEU 56 1HD2 LEU 56 2.396 -4.552 0.194 428 HD23 LEU 56 2HD2 LEU 56 2.331 -5.088 1.868 429 H GLN 57 H GLN 57 0.974 -8.883 3.759 430 HA GLN 57 HA GLN 57 2.510 -10.802 5.385 431 HB2 GLN 57 2HB GLN 57 -0.439 -10.054 5.309 432 HB3 GLN 57 3HB GLN 57 0.170 -11.411 6.252 433 HG2 GLN 57 2HG GLN 57 1.047 -8.533 6.602 434 HG3 GLN 57 3HG GLN 57 -0.155 -9.357 7.595 435 HE21 GLN 57 1HE2 GLN 57 2.451 -8.175 8.346 436 HE22 GLN 57 2HE2 GLN 57 3.320 -9.447 9.128 437 H GLY 58 H GLY 58 1.565 -13.056 5.478 438 HA2 GLY 58 2HA GLY 58 2.191 -14.411 3.136 439 HA3 GLY 58 3HA GLY 58 1.398 -15.114 4.532 440 H SER 59 H SER 59 0.830 -16.207 2.223 441 HA SER 59 HA SER 59 -0.777 -16.963 0.872 442 HB2 SER 59 2HB SER 59 -2.659 -14.870 2.055 443 HB3 SER 59 3HB SER 59 -3.137 -16.192 0.983 444 HG SER 59 HG SER 59 -1.718 -17.199 3.018 445 H CYS 60 H CYS 60 -1.100 -13.376 0.973 446 HA CYS 60 HA CYS 60 -1.317 -13.029 -1.851 447 HB2 CYS 60 2HB CYS 60 -2.105 -11.335 -0.170 448 HB3 CYS 60 3HB CYS 60 -0.422 -10.965 0.198 449 HG CYS 60 HG CYS 60 -0.183 -10.534 -2.811 450 H THR 61 H THR 61 1.401 -13.170 0.385 451 HA THR 61 HA THR 61 3.387 -12.307 -1.541 452 HB THR 61 HB THR 61 5.021 -12.915 0.271 453 HG1 THR 61 HG1 THR 61 4.380 -14.091 1.910 454 HG21 THR 61 3HG2 THR 61 4.054 -10.642 0.230 455 HG22 THR 61 1HG2 THR 61 4.316 -11.183 1.890 456 HG23 THR 61 2HG2 THR 61 2.691 -11.196 1.205 457 H SER 62 H SER 62 1.944 -15.304 -0.572 458 HA SER 62 HA SER 62 4.013 -17.131 -1.166 459 HB2 SER 62 2HB SER 62 1.011 -17.660 -1.293 460 HB3 SER 62 3HB SER 62 2.288 -18.846 -1.003 461 HG SER 62 HG SER 62 2.789 -17.506 0.910 462 H CYS 63 H CYS 63 1.816 -15.390 -3.191 463 HA CYS 63 HA CYS 63 2.689 -16.855 -5.615 464 HB2 CYS 63 2HB CYS 63 0.178 -15.173 -5.229 465 HB3 CYS 63 3HB CYS 63 0.589 -16.140 -6.646 466 HG CYS 63 HG CYS 63 0.644 -18.101 -4.023 467 HA PRO 64 HA PRO 64 5.112 -13.005 -6.012 468 HB2 PRO 64 2HB PRO 64 6.203 -13.524 -8.526 469 HB3 PRO 64 3HB PRO 64 6.815 -14.214 -7.007 470 HG2 PRO 64 2HG PRO 64 4.959 -15.457 -9.016 471 HG3 PRO 64 3HG PRO 64 6.360 -16.172 -8.185 472 HD2 PRO 64 2HD PRO 64 3.855 -16.693 -7.345 473 HD3 PRO 64 3HD PRO 64 5.179 -16.495 -6.174 474 H SER 65 H SER 65 2.958 -14.099 -8.619 475 HA SER 65 HA SER 65 2.739 -11.585 -9.944 476 HB2 SER 65 2HB SER 65 2.241 -13.670 -11.119 477 HB3 SER 65 3HB SER 65 0.934 -14.032 -9.997 478 HG SER 65 HG SER 65 0.517 -12.959 -12.171 479 H SER 66 H SER 66 0.997 -13.089 -7.237 480 HA SER 66 HA SER 66 -1.107 -11.166 -7.077 481 HB2 SER 66 2HB SER 66 0.004 -13.081 -4.998 482 HB3 SER 66 3HB SER 66 -1.438 -12.093 -4.761 483 HG SER 66 HG SER 66 -1.657 -13.394 -7.086 484 H ILE 67 H ILE 67 2.180 -11.318 -5.725 485 HA ILE 67 HA ILE 67 2.049 -9.074 -4.015 486 HB ILE 67 HB ILE 67 4.512 -9.926 -5.618 487 HG12 ILE 67 2HG1 ILE 67 3.610 -10.958 -2.886 488 HG13 ILE 67 3HG1 ILE 67 3.594 -11.879 -4.385 489 HG21 ILE 67 1HG2 ILE 67 4.304 -8.449 -2.964 490 HG22 ILE 67 2HG2 ILE 67 4.720 -7.720 -4.514 491 HG23 ILE 67 3HG2 ILE 67 5.805 -8.902 -3.782 492 HD11 ILE 67 3HD1 ILE 67 6.059 -10.837 -2.980 493 HD12 ILE 67 1HD1 ILE 67 6.040 -11.742 -4.497 494 HD13 ILE 67 2HD1 ILE 67 5.483 -12.503 -3.009 495 H ILE 68 H ILE 68 2.824 -9.412 -7.479 496 HA ILE 68 HA ILE 68 3.442 -6.747 -8.114 497 HB ILE 68 HB ILE 68 2.193 -8.886 -9.900 498 HG12 ILE 68 2HG1 ILE 68 5.129 -8.090 -9.590 499 HG13 ILE 68 3HG1 ILE 68 4.395 -9.540 -8.915 500 HG21 ILE 68 1HG2 ILE 68 3.045 -7.571 -11.824 501 HG22 ILE 68 2HG2 ILE 68 3.567 -6.302 -10.716 502 HG23 ILE 68 3HG2 ILE 68 1.850 -6.668 -10.890 503 HD11 ILE 68 3HD1 ILE 68 5.634 -10.081 -10.909 504 HD12 ILE 68 1HD1 ILE 68 4.708 -8.913 -11.852 505 HD13 ILE 68 2HD1 ILE 68 3.914 -10.343 -11.189 506 H THR 69 H THR 69 0.320 -8.497 -8.510 507 HA THR 69 HA THR 69 -1.187 -6.368 -9.540 508 HB THR 69 HB THR 69 -2.257 -8.733 -7.928 509 HG1 THR 69 HG1 THR 69 -1.553 -9.891 -9.532 510 HG21 THR 69 3HG2 THR 69 -4.284 -8.468 -9.314 511 HG22 THR 69 1HG2 THR 69 -3.571 -7.061 -10.105 512 HG23 THR 69 2HG2 THR 69 -3.969 -6.999 -8.384 513 H LEU 70 H LEU 70 -0.700 -7.479 -6.188 514 HA LEU 70 HA LEU 70 -2.500 -5.762 -4.878 515 HB2 LEU 70 2HB LEU 70 -1.534 -7.701 -3.747 516 HB3 LEU 70 3HB LEU 70 0.084 -7.049 -3.929 517 HG LEU 70 HG LEU 70 -0.493 -5.197 -2.344 518 HD11 LEU 70 1HD1 LEU 70 -2.883 -5.067 -2.715 519 HD12 LEU 70 2HD1 LEU 70 -2.529 -5.304 -1.007 520 HD13 LEU 70 3HD1 LEU 70 -3.114 -6.657 -1.981 521 HD21 LEU 70 3HD2 LEU 70 0.611 -7.228 -1.513 522 HD22 LEU 70 1HD2 LEU 70 -0.964 -7.954 -1.182 523 HD23 LEU 70 2HD2 LEU 70 -0.449 -6.514 -0.300 524 H LYS 71 H LYS 71 1.050 -5.461 -5.220 525 HA LYS 71 HA LYS 71 1.336 -2.968 -3.975 526 HB2 LYS 71 2HB LYS 71 3.166 -4.586 -4.270 527 HB3 LYS 71 3HB LYS 71 3.135 -4.362 -6.011 528 HG2 LYS 71 2HG LYS 71 3.677 -1.979 -4.256 529 HG3 LYS 71 3HG LYS 71 4.959 -3.164 -4.470 530 HD2 LYS 71 2HD LYS 71 3.547 -1.759 -6.768 531 HD3 LYS 71 3HD LYS 71 5.037 -1.177 -6.027 532 HE2 LYS 71 2HE LYS 71 4.707 -3.879 -7.369 533 HE3 LYS 71 3HE LYS 71 5.457 -2.455 -8.094 534 HZ1 LYS 71 3HZ LYS 71 7.146 -3.894 -7.217 535 HZ2 LYS 71 1HZ LYS 71 6.423 -3.905 -5.690 536 HZ3 LYS 71 2HZ LYS 71 7.104 -2.484 -6.291 537 H ASN 72 H ASN 72 0.944 -3.764 -7.407 538 HA ASN 72 HA ASN 72 1.257 -1.163 -8.473 539 HB2 ASN 72 2HB ASN 72 -0.022 -3.696 -9.565 540 HB3 ASN 72 3HB ASN 72 -0.020 -2.206 -10.496 541 HD21 ASN 72 1HD2 ASN 72 1.260 -3.069 -12.126 542 HD22 ASN 72 2HD2 ASN 72 2.934 -3.436 -11.909 543 H GLY 73 H GLY 73 -1.612 -2.955 -7.399 544 HA2 GLY 73 2HA GLY 73 -3.572 -1.094 -8.259 545 HA3 GLY 73 3HA GLY 73 -3.771 -2.317 -7.016 546 H ILE 74 H ILE 74 -1.949 -1.583 -5.147 547 HA ILE 74 HA ILE 74 -3.054 0.476 -3.610 548 HB ILE 74 HB ILE 74 -0.200 -0.637 -3.538 549 HG12 ILE 74 2HG1 ILE 74 -2.610 -1.477 -1.865 550 HG13 ILE 74 3HG1 ILE 74 -1.955 -2.382 -3.223 551 HG21 ILE 74 1HG2 ILE 74 -0.092 0.173 -1.208 552 HG22 ILE 74 2HG2 ILE 74 -1.677 0.925 -1.394 553 HG23 ILE 74 3HG2 ILE 74 -0.307 1.497 -2.350 554 HD11 ILE 74 3HD1 ILE 74 -1.223 -3.351 -1.140 555 HD12 ILE 74 1HD1 ILE 74 -0.522 -1.816 -0.626 556 HD13 ILE 74 2HD1 ILE 74 0.156 -2.682 -2.008 557 H GLN 75 H GLN 75 -0.272 0.392 -5.782 558 HA GLN 75 HA GLN 75 0.832 2.915 -5.304 559 HB2 GLN 75 2HB GLN 75 1.995 1.030 -6.444 560 HB3 GLN 75 3HB GLN 75 0.951 1.245 -7.845 561 HG2 GLN 75 2HG GLN 75 1.898 3.513 -8.179 562 HG3 GLN 75 3HG GLN 75 2.950 3.266 -6.790 563 HE21 GLN 75 1HE2 GLN 75 3.478 0.434 -7.496 564 HE22 GLN 75 2HE2 GLN 75 4.574 0.513 -8.820 565 H ASN 76 H ASN 76 -1.246 1.855 -8.022 566 HA ASN 76 HA ASN 76 -1.477 4.372 -9.260 567 HB2 ASN 76 2HB ASN 76 -3.356 1.981 -9.427 568 HB3 ASN 76 3HB ASN 76 -3.354 3.341 -10.545 569 HD21 ASN 76 1HD2 ASN 76 -0.354 3.482 -10.590 570 HD22 ASN 76 2HD2 ASN 76 0.120 2.132 -11.553 571 H MET 77 H MET 77 -3.414 2.819 -6.741 572 HA MET 77 HA MET 77 -5.596 4.618 -6.614 573 HB2 MET 77 2HB MET 77 -5.463 2.388 -5.436 574 HB3 MET 77 3HB MET 77 -4.293 3.080 -4.324 575 HG2 MET 77 2HG MET 77 -6.129 4.796 -3.730 576 HG3 MET 77 3HG MET 77 -7.234 3.710 -4.571 577 HE1 MET 77 3HE MET 77 -4.096 3.019 -2.208 578 HE2 MET 77 1HE MET 77 -4.947 2.742 -0.688 579 HE3 MET 77 2HE MET 77 -5.006 4.329 -1.451 580 H LEU 78 H LEU 78 -2.545 4.506 -4.746 581 HA LEU 78 HA LEU 78 -2.946 6.900 -3.274 582 HB2 LEU 78 2HB LEU 78 -0.445 5.275 -3.854 583 HB3 LEU 78 3HB LEU 78 -0.455 6.652 -2.766 584 HG LEU 78 HG LEU 78 -2.081 4.113 -2.350 585 HD11 LEU 78 1HD1 LEU 78 0.314 3.666 -2.151 586 HD12 LEU 78 2HD1 LEU 78 -0.490 3.551 -0.587 587 HD13 LEU 78 3HD1 LEU 78 0.479 4.976 -0.979 588 HD21 LEU 78 3HD2 LEU 78 -2.491 4.985 -0.097 589 HD22 LEU 78 1HD2 LEU 78 -3.138 6.064 -1.331 590 HD23 LEU 78 2HD2 LEU 78 -1.633 6.477 -0.502 591 H GLN 79 H GLN 79 -1.540 6.243 -6.427 592 HA GLN 79 HA GLN 79 -0.161 8.734 -6.771 593 HB2 GLN 79 2HB GLN 79 -1.041 6.586 -8.741 594 HB3 GLN 79 3HB GLN 79 -0.216 8.054 -9.263 595 HG2 GLN 79 2HG GLN 79 1.738 7.479 -7.941 596 HG3 GLN 79 3HG GLN 79 0.930 6.052 -7.295 597 HE21 GLN 79 1HE2 GLN 79 3.425 6.259 -8.820 598 HE22 GLN 79 2HE2 GLN 79 3.215 5.252 -10.209 599 H PHE 80 H PHE 80 -3.439 7.594 -7.374 600 HA PHE 80 HA PHE 80 -4.342 9.681 -9.060 601 HB2 PHE 80 2HB PHE 80 -5.561 7.528 -8.762 602 HB3 PHE 80 3HB PHE 80 -5.936 7.968 -7.100 603 HD1 PHE 80 HD1 PHE 80 -6.594 8.819 -10.661 604 HD2 PHE 80 HD2 PHE 80 -7.815 9.436 -6.599 605 HE1 PHE 80 HE1 PHE 80 -8.641 9.945 -11.436 606 HE2 PHE 80 HE2 PHE 80 -9.855 10.562 -7.391 607 HZ PHE 80 HZ PHE 80 -10.268 10.817 -9.804 608 H TYR 81 H TYR 81 -4.482 9.217 -5.544 609 HA TYR 81 HA TYR 81 -5.784 11.744 -5.024 610 HB2 TYR 81 2HB TYR 81 -4.530 9.699 -3.141 611 HB3 TYR 81 3HB TYR 81 -5.497 11.078 -2.627 612 HD1 TYR 81 HD1 TYR 81 -7.915 11.201 -3.801 613 HD2 TYR 81 HD2 TYR 81 -5.627 7.627 -3.290 614 HE1 TYR 81 HE1 TYR 81 -9.963 9.870 -3.949 615 HE2 TYR 81 HE2 TYR 81 -7.682 6.286 -3.447 616 HH TYR 81 HH TYR 81 -10.639 7.571 -4.527 617 H ILE 82 H ILE 82 -2.496 10.477 -4.974 618 HA ILE 82 HA ILE 82 -1.426 12.951 -3.721 619 HB ILE 82 HB ILE 82 -0.405 10.131 -3.147 620 HG12 ILE 82 2HG1 ILE 82 -2.185 11.820 -1.329 621 HG13 ILE 82 3HG1 ILE 82 -2.748 10.456 -2.283 622 HG21 ILE 82 1HG2 ILE 82 0.174 12.767 -1.762 623 HG22 ILE 82 2HG2 ILE 82 1.261 11.912 -2.858 624 HG23 ILE 82 3HG2 ILE 82 0.834 11.195 -1.303 625 HD11 ILE 82 3HD1 ILE 82 -0.744 10.335 -0.042 626 HD12 ILE 82 1HD1 ILE 82 -1.289 8.970 -1.021 627 HD13 ILE 82 2HD1 ILE 82 -2.433 9.827 0.010 628 HA PRO 83 HA PRO 83 1.122 12.506 -7.529 629 HB2 PRO 83 2HB PRO 83 2.110 15.226 -6.942 630 HB3 PRO 83 3HB PRO 83 1.110 14.678 -8.300 631 HG2 PRO 83 2HG PRO 83 0.144 16.295 -6.335 632 HG3 PRO 83 3HG PRO 83 -0.869 15.133 -7.221 633 HD2 PRO 83 2HD PRO 83 0.354 14.855 -4.480 634 HD3 PRO 83 3HD PRO 83 -1.282 14.427 -5.037 635 H GLU 84 H GLU 84 2.044 12.857 -4.277 636 HA GLU 84 HA GLU 84 4.875 13.145 -4.580 637 HB2 GLU 84 2HB GLU 84 3.455 11.998 -2.141 638 HB3 GLU 84 3HB GLU 84 4.999 12.844 -2.194 639 HG2 GLU 84 2HG GLU 84 2.248 14.049 -2.632 640 HG3 GLU 84 3HG GLU 84 3.272 14.268 -1.217 641 H VAL 85 H VAL 85 2.656 10.452 -4.552 642 HA VAL 85 HA VAL 85 4.518 8.393 -3.844 643 HB VAL 85 HB VAL 85 1.728 8.200 -5.059 644 HG11 VAL 85 1HG1 VAL 85 1.726 5.850 -4.255 645 HG12 VAL 85 2HG1 VAL 85 3.414 6.022 -3.766 646 HG13 VAL 85 3HG1 VAL 85 2.977 6.122 -5.473 647 HG21 VAL 85 3HG2 VAL 85 0.974 7.744 -2.749 648 HG22 VAL 85 1HG2 VAL 85 1.748 9.327 -2.858 649 HG23 VAL 85 2HG2 VAL 85 2.621 7.961 -2.159 650 H GLU 86 H GLU 86 6.226 8.349 -5.254 651 HA GLU 86 HA GLU 86 6.032 8.137 -8.097 652 HB2 GLU 86 2HB GLU 86 8.292 7.381 -6.192 653 HB3 GLU 86 3HB GLU 86 8.439 7.408 -7.948 654 HG2 GLU 86 2HG GLU 86 7.854 9.796 -6.166 655 HG3 GLU 86 3HG GLU 86 9.394 9.438 -6.949 656 H GLY 87 H GLY 87 6.165 5.846 -5.426 657 HA2 GLY 87 2HA GLY 87 5.033 3.707 -6.973 658 HA3 GLY 87 3HA GLY 87 6.752 3.462 -6.665 659 H VAL 88 H VAL 88 5.475 1.556 -5.682 660 HA VAL 88 HA VAL 88 5.390 1.978 -2.748 661 HB VAL 88 HB VAL 88 3.509 0.168 -4.366 662 HG11 VAL 88 1HG1 VAL 88 3.733 0.373 -1.341 663 HG12 VAL 88 2HG1 VAL 88 4.194 -1.021 -2.319 664 HG13 VAL 88 3HG1 VAL 88 2.498 -0.538 -2.218 665 HG21 VAL 88 3HG2 VAL 88 2.800 2.523 -4.331 666 HG22 VAL 88 1HG2 VAL 88 2.882 2.534 -2.567 667 HG23 VAL 88 2HG2 VAL 88 1.685 1.526 -3.388 668 H GLU 89 H GLU 89 6.375 0.244 -1.570 669 HA GLU 89 HA GLU 89 7.811 -1.836 -3.112 670 HB2 GLU 89 2HB GLU 89 9.351 0.068 -2.788 671 HB3 GLU 89 3HB GLU 89 9.061 0.044 -1.052 672 HG2 GLU 89 2HG GLU 89 10.109 -2.194 -0.914 673 HG3 GLU 89 3HG GLU 89 10.391 -2.167 -2.659 674 H GLN 90 H GLN 90 7.959 -3.778 -2.050 675 HA GLN 90 HA GLN 90 6.582 -4.152 0.485 676 HB2 GLN 90 2HB GLN 90 6.270 -5.844 -1.251 677 HB3 GLN 90 3HB GLN 90 8.007 -6.103 -1.376 678 HG2 GLN 90 2HG GLN 90 8.044 -7.007 0.917 679 HG3 GLN 90 3HG GLN 90 6.308 -6.722 1.060 680 HE21 GLN 90 1HE2 GLN 90 6.041 -8.944 1.517 681 HE22 GLN 90 2HE2 GLN 90 6.106 -10.137 0.267 682 H VAL 91 H VAL 91 7.606 -3.989 2.375 683 HA VAL 91 HA VAL 91 10.511 -4.478 2.611 684 HB VAL 91 HB VAL 91 10.449 -2.747 4.505 685 HG11 VAL 91 1HG1 VAL 91 9.965 -1.723 1.680 686 HG12 VAL 91 2HG1 VAL 91 11.515 -2.250 2.343 687 HG13 VAL 91 3HG1 VAL 91 10.726 -0.810 2.989 688 HG21 VAL 91 3HG2 VAL 91 8.701 -1.003 4.427 689 HG22 VAL 91 1HG2 VAL 91 8.031 -2.587 4.827 690 HG23 VAL 91 2HG2 VAL 91 7.834 -1.931 3.199 691 H MET 92 H MET 92 10.917 -6.123 3.954 692 HA MET 92 HA MET 92 8.909 -7.078 5.853 693 HB2 MET 92 2HB MET 92 10.564 -8.974 6.209 694 HB3 MET 92 3HB MET 92 9.906 -8.849 4.586 695 HG2 MET 92 2HG MET 92 11.938 -8.106 3.680 696 HG3 MET 92 3HG MET 92 12.583 -7.618 5.247 697 HE1 MET 92 3HE MET 92 13.564 -9.267 7.051 698 HE2 MET 92 1HE MET 92 13.477 -11.023 6.917 699 HE3 MET 92 2HE MET 92 12.002 -10.087 7.145 700 H ASP 93 H ASP 93 9.048 -5.144 7.258 701 HA ASP 93 HA ASP 93 11.328 -5.061 9.065 702 HB2 ASP 93 2HB ASP 93 8.568 -3.803 9.247 703 HB3 ASP 93 3HB ASP 93 9.774 -3.658 10.520 704 H ASP 94 H ASP 94 11.473 -7.191 9.359 705 HA ASP 94 HA ASP 94 10.133 -8.367 11.618 706 HB2 ASP 94 2HB ASP 94 8.704 -8.936 9.478 707 HB3 ASP 94 3HB ASP 94 10.053 -9.958 9.003 708 H GLU 95 H GLU 95 11.439 -10.218 12.371 709 HA GLU 95 HA GLU 95 14.235 -9.621 11.780 710 HB2 GLU 95 2HB GLU 95 13.093 -11.427 13.938 711 HB3 GLU 95 3HB GLU 95 14.727 -10.772 13.855 712 HG2 GLU 95 2HG GLU 95 12.153 -9.229 14.357 713 HG3 GLU 95 3HG GLU 95 13.466 -9.511 15.494 714 H SER 96 H SER 96 11.957 -12.110 11.067 715 HA SER 96 HA SER 96 13.738 -13.247 9.136 716 HB2 SER 96 2HB SER 96 14.524 -14.595 11.042 717 HB3 SER 96 3HB SER 96 12.869 -15.022 11.478 718 HG SER 96 HG SER 96 14.440 -15.903 9.303 719 H ASP 97 H ASP 97 12.361 -13.207 7.457 720 HA ASP 97 HA ASP 97 9.511 -13.523 7.714 721 HB2 ASP 97 2HB ASP 97 9.443 -13.202 5.287 722 HB3 ASP 97 3HB ASP 97 10.484 -11.998 6.031 Start of MODEL 18 1 H1 MET 1 1H MET 1 18.503 19.639 26.808 2 H2 MET 1 2H MET 1 19.753 19.284 25.723 3 H3 MET 1 3H MET 1 19.057 20.823 25.740 4 HA MET 1 HA MET 1 19.884 21.242 27.932 5 HB2 MET 1 2HB MET 1 21.093 18.458 27.648 6 HB3 MET 1 3HB MET 1 21.559 19.601 28.904 7 HG2 MET 1 2HG MET 1 18.776 18.456 28.534 8 HG3 MET 1 3HG MET 1 19.959 17.918 29.730 9 HE1 MET 1 3HE MET 1 20.228 21.083 32.064 10 HE2 MET 1 1HE MET 1 21.271 20.695 30.700 11 HE3 MET 1 2HE MET 1 20.769 19.423 31.815 12 H GLY 2 H GLY 2 21.455 22.720 27.722 13 HA2 GLY 2 2HA GLY 2 23.416 23.758 27.182 14 HA3 GLY 2 3HA GLY 2 24.023 22.234 26.561 15 H HIS 3 H HIS 3 23.430 21.616 24.400 16 HA HIS 3 HA HIS 3 23.858 23.697 22.523 17 HB2 HIS 3 2HB HIS 3 24.741 21.432 22.182 18 HB3 HIS 3 3HB HIS 3 23.109 20.778 22.108 19 HD1 HIS 3 HD1 HIS 3 22.190 20.513 19.811 20 HD2 HIS 3 HD2 HIS 3 25.271 23.292 19.902 21 HE1 HIS 3 HE1 HIS 3 22.582 21.158 17.424 22 HE2 HIS 3 HE2 HIS 3 24.310 22.991 17.532 23 H HIS 4 H HIS 4 22.353 25.107 21.914 24 HA HIS 4 HA HIS 4 19.522 24.631 21.892 25 HB2 HIS 4 2HB HIS 4 21.134 26.932 20.679 26 HB3 HIS 4 3HB HIS 4 19.382 26.901 20.859 27 HD1 HIS 4 HD1 HIS 4 18.431 27.590 23.105 28 HD2 HIS 4 HD2 HIS 4 22.564 27.194 23.157 29 HE1 HIS 4 HE1 HIS 4 19.171 28.516 25.322 30 HE2 HIS 4 HE2 HIS 4 21.687 28.432 25.238 31 H HIS 5 H HIS 5 18.355 23.781 20.280 32 HA HIS 5 HA HIS 5 19.052 23.980 17.480 33 HB2 HIS 5 2HB HIS 5 20.430 22.019 18.204 34 HB3 HIS 5 3HB HIS 5 18.985 21.235 18.827 35 HD1 HIS 5 HD1 HIS 5 17.497 20.013 17.133 36 HD2 HIS 5 HD2 HIS 5 20.621 22.084 15.350 37 HE1 HIS 5 HE1 HIS 5 17.556 19.225 14.756 38 HE2 HIS 5 HE2 HIS 5 19.296 20.668 13.651 39 H HIS 6 H HIS 6 17.110 24.560 16.657 40 HA HIS 6 HA HIS 6 14.601 23.888 17.870 41 HB2 HIS 6 2HB HIS 6 13.531 25.021 15.975 42 HB3 HIS 6 3HB HIS 6 14.855 25.989 16.592 43 HD1 HIS 6 HD1 HIS 6 16.577 26.739 14.918 44 HD2 HIS 6 HD2 HIS 6 14.127 23.756 13.389 45 HE1 HIS 6 HE1 HIS 6 17.148 26.577 12.485 46 HE2 HIS 6 HE2 HIS 6 15.570 24.840 11.561 47 H HIS 7 H HIS 7 12.921 22.623 16.992 48 HA HIS 7 HA HIS 7 13.673 20.187 15.614 49 HB2 HIS 7 2HB HIS 7 10.882 21.217 16.350 50 HB3 HIS 7 3HB HIS 7 11.288 19.576 15.847 51 HD1 HIS 7 HD1 HIS 7 12.137 17.986 17.643 52 HD2 HIS 7 HD2 HIS 7 11.754 21.898 18.988 53 HE1 HIS 7 HE1 HIS 7 12.401 17.873 20.136 54 HE2 HIS 7 HE2 HIS 7 11.962 20.220 20.938 55 H HIS 8 H HIS 8 13.174 19.655 13.456 56 HA HIS 8 HA HIS 8 12.883 21.682 11.530 57 HB2 HIS 8 2HB HIS 8 12.486 19.887 9.881 58 HB3 HIS 8 3HB HIS 8 13.834 19.507 10.934 59 HD1 HIS 8 HD1 HIS 8 10.996 17.948 9.456 60 HD2 HIS 8 HD2 HIS 8 12.918 17.626 13.127 61 HE1 HIS 8 HE1 HIS 8 10.345 15.714 10.370 62 HE2 HIS 8 HE2 HIS 8 11.655 15.467 12.503 63 H SER 9 H SER 9 11.158 22.802 10.846 64 HA SER 9 HA SER 9 8.981 23.069 12.518 65 HB2 SER 9 2HB SER 9 9.280 24.087 9.658 66 HB3 SER 9 3HB SER 9 8.129 24.704 10.849 67 HG SER 9 HG SER 9 10.881 25.064 10.674 68 H HIS 10 H HIS 10 7.553 21.480 12.822 69 HA HIS 10 HA HIS 10 6.427 19.830 10.765 70 HB2 HIS 10 2HB HIS 10 5.602 20.214 13.684 71 HB3 HIS 10 3HB HIS 10 5.014 18.939 12.622 72 HD1 HIS 10 HD1 HIS 10 7.360 19.335 15.234 73 HD2 HIS 10 HD2 HIS 10 7.494 17.430 11.551 74 HE1 HIS 10 HE1 HIS 10 9.242 17.681 15.396 75 HE2 HIS 10 HE2 HIS 10 9.098 16.357 13.257 76 H MET 11 H MET 11 5.592 21.265 9.298 77 HA MET 11 HA MET 11 3.213 22.890 9.997 78 HB2 MET 11 2HB MET 11 5.205 24.358 9.727 79 HB3 MET 11 3HB MET 11 5.527 23.665 8.145 80 HG2 MET 11 2HG MET 11 4.486 25.870 7.941 81 HG3 MET 11 3HG MET 11 3.416 24.619 7.299 82 HE1 MET 11 3HE MET 11 2.337 27.533 7.931 83 HE2 MET 11 1HE MET 11 0.846 27.191 8.815 84 HE3 MET 11 2HE MET 11 1.265 26.240 7.391 85 H GLY 12 H GLY 12 1.618 22.999 8.341 86 HA2 GLY 12 2HA GLY 12 1.118 20.742 6.802 87 HA3 GLY 12 3HA GLY 12 0.363 22.304 6.557 88 H SER 13 H SER 13 2.610 20.025 5.380 89 HA SER 13 HA SER 13 3.270 21.563 2.993 90 HB2 SER 13 2HB SER 13 5.041 22.212 4.597 91 HB3 SER 13 3HB SER 13 5.387 20.520 4.941 92 HG SER 13 HG SER 13 6.371 22.075 3.009 93 H GLU 14 H GLU 14 4.629 20.193 1.495 94 HA GLU 14 HA GLU 14 3.588 17.542 1.105 95 HB2 GLU 14 2HB GLU 14 5.963 18.937 -0.203 96 HB3 GLU 14 3HB GLU 14 5.133 17.514 -0.836 97 HG2 GLU 14 2HG GLU 14 3.149 18.790 -1.311 98 HG3 GLU 14 3HG GLU 14 3.756 20.192 -0.435 99 H GLU 15 H GLU 15 6.413 18.964 2.569 100 HA GLU 15 HA GLU 15 8.051 16.662 2.918 101 HB2 GLU 15 2HB GLU 15 8.877 19.014 3.032 102 HB3 GLU 15 3HB GLU 15 7.916 19.280 4.477 103 HG2 GLU 15 2HG GLU 15 10.281 18.972 5.029 104 HG3 GLU 15 3HG GLU 15 9.292 17.687 5.731 105 H ASP 16 H ASP 16 5.321 17.948 4.587 106 HA ASP 16 HA ASP 16 5.838 16.944 7.207 107 HB2 ASP 16 2HB ASP 16 4.431 18.988 6.574 108 HB3 ASP 16 3HB ASP 16 3.169 17.873 6.070 109 H ASP 17 H ASP 17 4.546 15.391 8.361 110 HA ASP 17 HA ASP 17 4.168 12.922 6.909 111 HB2 ASP 17 2HB ASP 17 3.913 11.893 9.100 112 HB3 ASP 17 3HB ASP 17 5.281 13.001 9.133 113 H GLY 18 H GLY 18 2.113 15.496 7.354 114 HA2 GLY 18 2HA GLY 18 -0.421 14.362 7.680 115 HA3 GLY 18 3HA GLY 18 -0.056 15.782 6.710 116 H VAL 19 H VAL 19 1.656 14.572 4.818 117 HA VAL 19 HA VAL 19 -0.024 13.352 2.915 118 HB VAL 19 HB VAL 19 3.032 13.259 3.110 119 HG11 VAL 19 1HG1 VAL 19 1.243 12.714 0.701 120 HG12 VAL 19 2HG1 VAL 19 2.217 11.519 1.561 121 HG13 VAL 19 3HG1 VAL 19 3.005 12.816 0.663 122 HG21 VAL 19 3HG2 VAL 19 2.186 15.576 3.030 123 HG22 VAL 19 1HG2 VAL 19 1.238 15.197 1.586 124 HG23 VAL 19 2HG2 VAL 19 3.004 15.161 1.523 125 H VAL 20 H VAL 20 2.458 11.981 5.058 126 HA VAL 20 HA VAL 20 2.168 9.246 4.460 127 HB VAL 20 HB VAL 20 3.060 10.562 7.071 128 HG11 VAL 20 1HG1 VAL 20 3.600 7.729 6.109 129 HG12 VAL 20 2HG1 VAL 20 2.550 8.182 7.451 130 HG13 VAL 20 3HG1 VAL 20 4.287 8.469 7.559 131 HG21 VAL 20 3HG2 VAL 20 5.369 10.286 6.200 132 HG22 VAL 20 1HG2 VAL 20 4.399 11.321 5.148 133 HG23 VAL 20 2HG2 VAL 20 4.723 9.649 4.686 134 H ALA 21 H ALA 21 0.352 11.341 6.621 135 HA ALA 21 HA ALA 21 -1.016 9.358 8.135 136 HB1 ALA 21 3HB ALA 21 -2.422 11.218 8.925 137 HB2 ALA 21 1HB ALA 21 -1.758 12.263 7.666 138 HB3 ALA 21 2HB ALA 21 -0.711 11.660 8.951 139 H MET 22 H MET 22 -1.955 11.326 5.287 140 HA MET 22 HA MET 22 -4.555 10.124 5.073 141 HB2 MET 22 2HB MET 22 -4.785 11.318 2.947 142 HB3 MET 22 3HB MET 22 -4.197 12.386 4.209 143 HG2 MET 22 2HG MET 22 -1.937 12.259 3.293 144 HG3 MET 22 3HG MET 22 -2.484 11.135 2.051 145 HE1 MET 22 3HE MET 22 -5.379 12.467 1.249 146 HE2 MET 22 1HE MET 22 -4.200 11.798 0.118 147 HE3 MET 22 2HE MET 22 -4.829 13.426 -0.126 148 H ILE 23 H ILE 23 -1.361 9.268 3.824 149 HA ILE 23 HA ILE 23 -2.219 7.244 1.999 150 HB ILE 23 HB ILE 23 0.388 7.412 3.593 151 HG12 ILE 23 2HG1 ILE 23 -0.132 8.118 0.665 152 HG13 ILE 23 3HG1 ILE 23 0.020 9.290 1.963 153 HG21 ILE 23 1HG2 ILE 23 -0.019 5.084 2.903 154 HG22 ILE 23 2HG2 ILE 23 1.323 5.763 1.986 155 HG23 ILE 23 3HG2 ILE 23 -0.263 5.598 1.233 156 HD11 ILE 23 3HD1 ILE 23 2.363 8.570 2.304 157 HD12 ILE 23 1HD1 ILE 23 2.052 9.196 0.685 158 HD13 ILE 23 2HD1 ILE 23 2.192 7.458 0.942 159 H LYS 24 H LYS 24 -1.373 7.189 5.498 160 HA LYS 24 HA LYS 24 -1.831 4.502 6.102 161 HB2 LYS 24 2HB LYS 24 -2.327 6.975 7.813 162 HB3 LYS 24 3HB LYS 24 -2.473 5.334 8.441 163 HG2 LYS 24 2HG LYS 24 -0.114 4.922 7.981 164 HG3 LYS 24 3HG LYS 24 0.048 6.530 7.271 165 HD2 LYS 24 2HD LYS 24 -0.476 7.551 9.473 166 HD3 LYS 24 3HD LYS 24 -0.631 5.937 10.182 167 HE2 LYS 24 2HE LYS 24 1.731 5.479 9.724 168 HE3 LYS 24 3HE LYS 24 1.899 7.027 8.892 169 HZ1 LYS 24 3HZ LYS 24 2.775 7.123 11.128 170 HZ2 LYS 24 1HZ LYS 24 1.278 6.668 11.773 171 HZ3 LYS 24 2HZ LYS 24 1.439 8.148 10.975 172 H GLU 25 H GLU 25 -4.136 7.182 5.866 173 HA GLU 25 HA GLU 25 -6.435 5.840 6.813 174 HB2 GLU 25 2HB GLU 25 -6.239 8.304 6.727 175 HB3 GLU 25 3HB GLU 25 -6.195 8.245 4.966 176 HG2 GLU 25 2HG GLU 25 -8.499 7.210 5.030 177 HG3 GLU 25 3HG GLU 25 -8.524 7.516 6.759 178 H LEU 26 H LEU 26 -5.338 6.593 3.485 179 HA LEU 26 HA LEU 26 -7.455 5.399 2.068 180 HB2 LEU 26 2HB LEU 26 -4.573 5.939 1.255 181 HB3 LEU 26 3HB LEU 26 -5.784 5.346 0.126 182 HG LEU 26 HG LEU 26 -5.931 8.020 1.582 183 HD11 LEU 26 1HD1 LEU 26 -4.108 7.995 -0.064 184 HD12 LEU 26 2HD1 LEU 26 -5.424 9.052 -0.574 185 HD13 LEU 26 3HD1 LEU 26 -5.235 7.461 -1.317 186 HD21 LEU 26 3HD2 LEU 26 -7.704 6.877 -0.605 187 HD22 LEU 26 1HD2 LEU 26 -7.798 8.515 0.049 188 HD23 LEU 26 2HD2 LEU 26 -8.160 7.136 1.081 189 H LEU 27 H LEU 27 -4.397 4.038 3.236 190 HA LEU 27 HA LEU 27 -4.682 1.461 2.051 191 HB2 LEU 27 2HB LEU 27 -3.118 2.381 4.489 192 HB3 LEU 27 3HB LEU 27 -3.000 0.763 3.805 193 HG LEU 27 HG LEU 27 -2.249 3.322 2.334 194 HD11 LEU 27 1HD1 LEU 27 -0.438 1.270 3.605 195 HD12 LEU 27 2HD1 LEU 27 -0.712 2.922 4.168 196 HD13 LEU 27 3HD1 LEU 27 0.068 2.643 2.614 197 HD21 LEU 27 3HD2 LEU 27 -1.257 1.836 0.651 198 HD22 LEU 27 1HD2 LEU 27 -2.991 1.556 0.805 199 HD23 LEU 27 2HD2 LEU 27 -1.848 0.423 1.532 200 H ASP 28 H ASP 28 -5.541 2.812 5.236 201 HA ASP 28 HA ASP 28 -6.153 0.332 6.454 202 HB2 ASP 28 2HB ASP 28 -5.449 2.397 7.677 203 HB3 ASP 28 3HB ASP 28 -7.025 3.103 7.347 204 H THR 29 H THR 29 -8.138 2.662 4.742 205 HA THR 29 HA THR 29 -10.656 1.418 5.540 206 HB THR 29 HB THR 29 -11.680 3.214 4.094 207 HG1 THR 29 HG1 THR 29 -9.491 4.763 3.809 208 HG21 THR 29 3HG2 THR 29 -11.259 3.676 6.501 209 HG22 THR 29 1HG2 THR 29 -11.062 5.134 5.521 210 HG23 THR 29 2HG2 THR 29 -9.642 4.259 6.100 211 H ARG 30 H ARG 30 -8.709 1.794 2.579 212 HA ARG 30 HA ARG 30 -10.739 0.494 0.920 213 HB2 ARG 30 2HB ARG 30 -8.040 1.660 0.153 214 HB3 ARG 30 3HB ARG 30 -9.319 1.194 -0.968 215 HG2 ARG 30 2HG ARG 30 -10.730 3.004 -0.221 216 HG3 ARG 30 3HG ARG 30 -9.645 3.385 1.119 217 HD2 ARG 30 2HD ARG 30 -9.397 4.991 -0.728 218 HD3 ARG 30 3HD ARG 30 -7.911 4.086 -0.453 219 HE ARG 30 HE ARG 30 -8.386 2.781 -2.419 220 HH11 ARG 30 1HH1 ARG 30 -10.373 5.652 -2.071 221 HH12 ARG 30 2HH1 ARG 30 -10.756 5.736 -3.759 222 HH21 ARG 30 1HH2 ARG 30 -8.890 2.899 -4.618 223 HH22 ARG 30 2HH2 ARG 30 -9.914 4.166 -5.207 224 H ILE 31 H ILE 31 -7.302 -0.041 1.779 225 HA ILE 31 HA ILE 31 -7.182 -2.356 -0.016 226 HB ILE 31 HB ILE 31 -4.943 -1.023 1.559 227 HG12 ILE 31 2HG1 ILE 31 -5.899 0.552 -0.095 228 HG13 ILE 31 3HG1 ILE 31 -4.283 0.056 -0.574 229 HG21 ILE 31 1HG2 ILE 31 -4.415 -3.355 0.971 230 HG22 ILE 31 2HG2 ILE 31 -3.402 -2.239 0.060 231 HG23 ILE 31 3HG2 ILE 31 -4.773 -3.028 -0.728 232 HD11 ILE 31 3HD1 ILE 31 -5.232 -1.448 -2.248 233 HD12 ILE 31 1HD1 ILE 31 -5.806 0.205 -2.467 234 HD13 ILE 31 2HD1 ILE 31 -6.864 -1.003 -1.736 235 H ARG 32 H ARG 32 -6.325 -1.656 3.411 236 HA ARG 32 HA ARG 32 -5.359 -4.121 4.118 237 HB2 ARG 32 2HB ARG 32 -6.757 -2.170 5.972 238 HB3 ARG 32 3HB ARG 32 -5.798 -3.553 6.499 239 HG2 ARG 32 2HG ARG 32 -3.816 -2.512 5.340 240 HG3 ARG 32 3HG ARG 32 -4.813 -1.085 5.040 241 HD2 ARG 32 2HD ARG 32 -3.503 -0.649 7.006 242 HD3 ARG 32 3HD ARG 32 -5.165 -0.916 7.546 243 HE ARG 32 HE ARG 32 -3.462 -3.274 7.568 244 HH11 ARG 32 1HH1 ARG 32 -4.660 -0.577 9.515 245 HH12 ARG 32 2HH1 ARG 32 -4.292 -1.364 11.017 246 HH21 ARG 32 1HH2 ARG 32 -2.982 -4.244 9.528 247 HH22 ARG 32 2HH2 ARG 32 -3.344 -3.436 11.023 248 HA PRO 33 HA PRO 33 -9.699 -5.474 6.014 249 HB2 PRO 33 2HB PRO 33 -11.676 -4.008 4.289 250 HB3 PRO 33 3HB PRO 33 -11.710 -4.289 6.043 251 HG2 PRO 33 2HG PRO 33 -11.171 -1.868 5.077 252 HG3 PRO 33 3HG PRO 33 -10.295 -2.495 6.494 253 HD2 PRO 33 2HD PRO 33 -9.376 -2.368 3.622 254 HD3 PRO 33 3HD PRO 33 -8.494 -1.948 5.106 255 H THR 34 H THR 34 -9.648 -4.617 2.569 256 HA THR 34 HA THR 34 -10.998 -6.833 1.482 257 HB THR 34 HB THR 34 -8.764 -5.136 0.243 258 HG1 THR 34 HG1 THR 34 -10.237 -3.644 -0.090 259 HG21 THR 34 3HG2 THR 34 -9.738 -5.693 -1.939 260 HG22 THR 34 1HG2 THR 34 -10.943 -6.736 -1.165 261 HG23 THR 34 2HG2 THR 34 -9.232 -7.165 -1.112 262 H VAL 35 H VAL 35 -7.521 -6.257 2.065 263 HA VAL 35 HA VAL 35 -6.627 -8.790 1.052 264 HB VAL 35 HB VAL 35 -5.111 -6.815 2.832 265 HG11 VAL 35 1HG1 VAL 35 -3.060 -7.816 1.859 266 HG12 VAL 35 2HG1 VAL 35 -4.051 -8.976 0.969 267 HG13 VAL 35 3HG1 VAL 35 -4.012 -9.020 2.729 268 HG21 VAL 35 3HG2 VAL 35 -5.184 -6.961 -0.211 269 HG22 VAL 35 1HG2 VAL 35 -4.174 -5.871 0.747 270 HG23 VAL 35 2HG2 VAL 35 -5.929 -5.705 0.778 271 H GLN 36 H GLN 36 -7.614 -7.596 4.214 272 HA GLN 36 HA GLN 36 -6.591 -9.700 5.822 273 HB2 GLN 36 2HB GLN 36 -8.789 -7.670 6.295 274 HB3 GLN 36 3HB GLN 36 -8.372 -8.878 7.507 275 HG2 GLN 36 2HG GLN 36 -6.133 -7.983 7.718 276 HG3 GLN 36 3HG GLN 36 -6.392 -6.879 6.370 277 HE21 GLN 36 1HE2 GLN 36 -5.893 -5.082 7.638 278 HE22 GLN 36 2HE2 GLN 36 -6.962 -4.466 8.844 279 H GLU 37 H GLU 37 -9.705 -9.226 4.183 280 HA GLU 37 HA GLU 37 -10.905 -11.669 5.080 281 HB2 GLU 37 2HB GLU 37 -11.553 -10.021 2.601 282 HB3 GLU 37 3HB GLU 37 -12.584 -11.264 3.316 283 HG2 GLU 37 2HG GLU 37 -12.730 -9.863 5.381 284 HG3 GLU 37 3HG GLU 37 -11.804 -8.616 4.575 285 H ASP 38 H ASP 38 -8.871 -10.719 2.380 286 HA ASP 38 HA ASP 38 -8.955 -13.166 0.905 287 HB2 ASP 38 2HB ASP 38 -8.298 -11.052 -0.152 288 HB3 ASP 38 3HB ASP 38 -6.938 -10.878 0.952 289 H GLY 39 H GLY 39 -7.229 -12.137 3.758 290 HA2 GLY 39 2HA GLY 39 -6.688 -14.029 5.248 291 HA3 GLY 39 3HA GLY 39 -5.875 -14.787 3.891 292 H GLY 40 H GLY 40 -4.997 -11.808 3.314 293 HA2 GLY 40 2HA GLY 40 -2.570 -11.900 5.006 294 HA3 GLY 40 3HA GLY 40 -2.725 -11.089 3.456 295 H ASP 41 H ASP 41 -1.967 -9.155 4.210 296 HA ASP 41 HA ASP 41 -3.806 -7.190 4.930 297 HB2 ASP 41 2HB ASP 41 -3.673 -8.173 7.245 298 HB3 ASP 41 3HB ASP 41 -1.931 -7.915 7.241 299 H VAL 42 H VAL 42 -2.720 -5.034 5.064 300 HA VAL 42 HA VAL 42 0.102 -5.019 4.172 301 HB VAL 42 HB VAL 42 -0.293 -3.053 2.733 302 HG11 VAL 42 1HG1 VAL 42 -2.146 -5.346 1.983 303 HG12 VAL 42 2HG1 VAL 42 -0.408 -5.281 1.684 304 HG13 VAL 42 3HG1 VAL 42 -1.483 -4.144 0.870 305 HG21 VAL 42 3HG2 VAL 42 -2.544 -2.264 2.136 306 HG22 VAL 42 1HG2 VAL 42 -2.246 -2.054 3.862 307 HG23 VAL 42 2HG2 VAL 42 -3.261 -3.383 3.299 308 H ILE 43 H ILE 43 1.359 -4.000 5.598 309 HA ILE 43 HA ILE 43 0.155 -2.041 7.478 310 HB ILE 43 HB ILE 43 2.649 -3.739 7.988 311 HG12 ILE 43 2HG1 ILE 43 1.142 -4.775 9.862 312 HG13 ILE 43 3HG1 ILE 43 -0.220 -4.114 8.967 313 HG21 ILE 43 1HG2 ILE 43 2.542 -2.847 10.301 314 HG22 ILE 43 2HG2 ILE 43 1.167 -1.840 9.848 315 HG23 ILE 43 3HG2 ILE 43 2.746 -1.556 9.115 316 HD11 ILE 43 3HD1 ILE 43 0.130 -6.470 8.496 317 HD12 ILE 43 1HD1 ILE 43 1.766 -6.139 7.931 318 HD13 ILE 43 2HD1 ILE 43 0.379 -5.504 7.043 319 H TYR 44 H TYR 44 0.836 -0.017 7.179 320 HA TYR 44 HA TYR 44 2.789 0.668 5.223 321 HB2 TYR 44 2HB TYR 44 0.690 1.953 5.719 322 HB3 TYR 44 3HB TYR 44 1.399 2.461 7.243 323 HD1 TYR 44 HD2 TYR 44 3.817 2.381 4.488 324 HD2 TYR 44 HD1 TYR 44 0.790 4.727 6.338 325 HE1 TYR 44 HE2 TYR 44 4.681 4.388 3.384 326 HE2 TYR 44 HE1 TYR 44 1.650 6.716 5.247 327 HH TYR 44 HH TYR 44 3.843 6.609 2.697 328 H LYS 45 H LYS 45 4.908 0.582 5.572 329 HA LYS 45 HA LYS 45 5.995 0.629 8.304 330 HB2 LYS 45 2HB LYS 45 7.011 -0.485 5.674 331 HB3 LYS 45 3HB LYS 45 8.070 -0.338 7.075 332 HG2 LYS 45 2HG LYS 45 5.471 -1.930 7.012 333 HG3 LYS 45 3HG LYS 45 7.096 -2.617 6.840 334 HD2 LYS 45 2HD LYS 45 7.692 -1.862 9.112 335 HD3 LYS 45 3HD LYS 45 6.129 -1.059 9.288 336 HE2 LYS 45 2HE LYS 45 4.982 -3.215 9.200 337 HE3 LYS 45 3HE LYS 45 6.513 -4.047 8.934 338 HZ1 LYS 45 3HZ LYS 45 7.234 -3.205 11.121 339 HZ2 LYS 45 1HZ LYS 45 5.910 -4.253 11.207 340 HZ3 LYS 45 2HZ LYS 45 5.683 -2.585 11.374 341 H GLY 46 H GLY 46 6.509 2.196 5.112 342 HA2 GLY 46 2HA GLY 46 7.662 4.525 6.413 343 HA3 GLY 46 3HA GLY 46 8.862 3.548 5.580 344 H PHE 47 H PHE 47 8.559 6.112 4.924 345 HA PHE 47 HA PHE 47 7.702 6.021 2.131 346 HB2 PHE 47 2HB PHE 47 5.774 6.958 3.465 347 HB3 PHE 47 3HB PHE 47 6.824 8.237 4.050 348 HD1 PHE 47 HD2 PHE 47 5.899 6.738 0.715 349 HD2 PHE 47 HD1 PHE 47 6.482 10.309 2.997 350 HE1 PHE 47 HE2 PHE 47 5.251 8.093 -1.225 351 HE2 PHE 47 HE1 PHE 47 5.825 11.654 1.049 352 HZ PHE 47 HZ PHE 47 5.216 10.548 -1.070 353 H GLU 48 H GLU 48 9.567 6.509 1.133 354 HA GLU 48 HA GLU 48 11.075 8.902 1.878 355 HB2 GLU 48 2HB GLU 48 13.260 7.640 1.753 356 HB3 GLU 48 3HB GLU 48 12.271 7.249 3.155 357 HG2 GLU 48 2HG GLU 48 11.507 5.166 1.998 358 HG3 GLU 48 3HG GLU 48 12.591 5.548 0.656 359 H ASP 49 H ASP 49 11.417 10.040 0.117 360 HA ASP 49 HA ASP 49 11.840 10.752 -1.975 361 HB2 ASP 49 2HB ASP 49 12.825 7.911 -2.498 362 HB3 ASP 49 3HB ASP 49 13.123 9.287 -3.554 363 H GLY 50 H GLY 50 9.245 9.398 -1.238 364 HA2 GLY 50 2HA GLY 50 7.212 9.357 -2.419 365 HA3 GLY 50 3HA GLY 50 8.084 9.228 -3.937 366 H ILE 51 H ILE 51 9.461 7.022 -1.880 367 HA ILE 51 HA ILE 51 8.028 4.783 -3.114 368 HB ILE 51 HB ILE 51 10.640 4.846 -1.542 369 HG12 ILE 51 2HG1 ILE 51 10.909 5.937 -3.716 370 HG13 ILE 51 3HG1 ILE 51 11.710 4.374 -3.774 371 HG21 ILE 51 1HG2 ILE 51 10.983 2.505 -2.289 372 HG22 ILE 51 2HG2 ILE 51 9.365 2.504 -2.994 373 HG23 ILE 51 3HG2 ILE 51 9.564 2.668 -1.249 374 HD11 ILE 51 3HD1 ILE 51 10.557 4.798 -5.835 375 HD12 ILE 51 1HD1 ILE 51 9.033 5.068 -4.987 376 HD13 ILE 51 2HD1 ILE 51 9.769 3.460 -5.002 377 H VAL 52 H VAL 52 6.385 4.027 -2.042 378 HA VAL 52 HA VAL 52 6.019 4.332 0.836 379 HB VAL 52 HB VAL 52 4.157 3.157 -1.286 380 HG11 VAL 52 1HG1 VAL 52 3.585 2.395 0.991 381 HG12 VAL 52 2HG1 VAL 52 2.345 3.476 0.357 382 HG13 VAL 52 3HG1 VAL 52 3.512 4.071 1.539 383 HG21 VAL 52 3HG2 VAL 52 2.963 5.316 -1.260 384 HG22 VAL 52 1HG2 VAL 52 4.643 5.538 -1.755 385 HG23 VAL 52 2HG2 VAL 52 4.141 5.968 -0.118 386 H GLN 53 H GLN 53 7.241 2.806 1.912 387 HA GLN 53 HA GLN 53 7.566 0.092 0.952 388 HB2 GLN 53 2HB GLN 53 8.517 1.486 3.492 389 HB3 GLN 53 3HB GLN 53 8.900 -0.185 3.082 390 HG2 GLN 53 2HG GLN 53 10.044 0.621 1.013 391 HG3 GLN 53 3HG GLN 53 9.737 2.285 1.518 392 HE21 GLN 53 1HE2 GLN 53 12.015 2.677 1.528 393 HE22 GLN 53 2HE2 GLN 53 13.024 2.087 2.801 394 H LEU 54 H LEU 54 6.064 -1.412 1.298 395 HA LEU 54 HA LEU 54 4.218 -1.235 3.612 396 HB2 LEU 54 2HB LEU 54 3.653 -2.219 0.786 397 HB3 LEU 54 3HB LEU 54 2.534 -2.375 2.135 398 HG LEU 54 HG LEU 54 3.472 0.242 0.887 399 HD11 LEU 54 1HD1 LEU 54 0.761 -1.100 0.825 400 HD12 LEU 54 2HD1 LEU 54 1.890 -0.965 -0.524 401 HD13 LEU 54 3HD1 LEU 54 1.153 0.486 0.151 402 HD21 LEU 54 3HD2 LEU 54 1.537 -0.216 3.182 403 HD22 LEU 54 1HD2 LEU 54 1.823 1.330 2.373 404 HD23 LEU 54 2HD2 LEU 54 3.122 0.558 3.280 405 H LYS 55 H LYS 55 3.819 -3.039 4.724 406 HA LYS 55 HA LYS 55 5.444 -5.419 4.328 407 HB2 LYS 55 2HB LYS 55 5.466 -4.494 6.549 408 HB3 LYS 55 3HB LYS 55 3.714 -4.387 6.596 409 HG2 LYS 55 2HG LYS 55 3.563 -6.855 6.687 410 HG3 LYS 55 3HG LYS 55 5.333 -6.958 6.653 411 HD2 LYS 55 2HD LYS 55 5.512 -5.843 8.792 412 HD3 LYS 55 3HD LYS 55 3.797 -5.424 8.796 413 HE2 LYS 55 2HE LYS 55 3.193 -7.745 9.088 414 HE3 LYS 55 3HE LYS 55 4.867 -8.255 8.901 415 HZ1 LYS 55 3HZ LYS 55 5.405 -7.055 10.937 416 HZ2 LYS 55 1HZ LYS 55 4.230 -8.243 11.205 417 HZ3 LYS 55 2HZ LYS 55 3.780 -6.614 11.117 418 H LEU 56 H LEU 56 4.590 -6.860 2.942 419 HA LEU 56 HA LEU 56 1.685 -7.218 2.705 420 HB2 LEU 56 2HB LEU 56 3.901 -8.581 1.118 421 HB3 LEU 56 3HB LEU 56 2.181 -8.593 0.753 422 HG LEU 56 HG LEU 56 4.104 -6.249 0.500 423 HD11 LEU 56 1HD1 LEU 56 2.464 -7.717 -1.581 424 HD12 LEU 56 2HD1 LEU 56 4.206 -7.866 -1.324 425 HD13 LEU 56 3HD1 LEU 56 3.527 -6.335 -1.874 426 HD21 LEU 56 3HD2 LEU 56 1.995 -5.360 1.368 427 HD22 LEU 56 1HD2 LEU 56 1.093 -6.195 0.101 428 HD23 LEU 56 2HD2 LEU 56 2.211 -4.895 -0.315 429 H GLN 57 H GLN 57 0.648 -8.910 3.601 430 HA GLN 57 HA GLN 57 2.146 -11.016 5.022 431 HB2 GLN 57 2HB GLN 57 -0.797 -10.237 5.036 432 HB3 GLN 57 3HB GLN 57 -0.169 -11.636 5.895 433 HG2 GLN 57 2HG GLN 57 0.619 -8.765 6.413 434 HG3 GLN 57 3HG GLN 57 -0.556 -9.691 7.349 435 HE21 GLN 57 1HE2 GLN 57 1.721 -8.489 8.403 436 HE22 GLN 57 2HE2 GLN 57 2.748 -9.730 9.031 437 H GLY 58 H GLY 58 0.905 -13.219 4.977 438 HA2 GLY 58 2HA GLY 58 1.319 -14.483 2.535 439 HA3 GLY 58 3HA GLY 58 0.386 -15.140 3.866 440 H SER 59 H SER 59 -0.383 -15.941 1.485 441 HA SER 59 HA SER 59 -2.004 -16.146 -0.050 442 HB2 SER 59 2HB SER 59 -3.684 -15.533 1.691 443 HB3 SER 59 3HB SER 59 -3.457 -13.831 1.300 444 HG SER 59 HG SER 59 -5.020 -14.187 -0.048 445 H CYS 60 H CYS 60 -1.353 -12.649 0.515 446 HA CYS 60 HA CYS 60 -1.308 -12.043 -2.311 447 HB2 CYS 60 2HB CYS 60 -0.592 -10.376 0.125 448 HB3 CYS 60 3HB CYS 60 -0.728 -9.753 -1.522 449 HG CYS 60 HG CYS 60 -3.441 -11.405 -0.489 450 H THR 61 H THR 61 1.124 -12.178 0.331 451 HA THR 61 HA THR 61 3.329 -11.510 -1.402 452 HB THR 61 HB THR 61 3.164 -10.955 1.122 453 HG1 THR 61 HG1 THR 61 5.635 -12.150 0.523 454 HG21 THR 61 3HG2 THR 61 2.723 -13.268 1.963 455 HG22 THR 61 1HG2 THR 61 4.162 -12.552 2.689 456 HG23 THR 61 2HG2 THR 61 4.326 -13.754 1.410 457 H SER 62 H SER 62 1.663 -14.370 -0.771 458 HA SER 62 HA SER 62 3.733 -16.305 -0.733 459 HB2 SER 62 2HB SER 62 0.789 -16.631 -1.450 460 HB3 SER 62 3HB SER 62 1.897 -17.919 -0.960 461 HG SER 62 HG SER 62 1.533 -17.401 1.031 462 H CYS 63 H CYS 63 2.158 -14.587 -3.340 463 HA CYS 63 HA CYS 63 3.654 -16.180 -5.338 464 HB2 CYS 63 2HB CYS 63 0.860 -15.002 -5.659 465 HB3 CYS 63 3HB CYS 63 1.789 -15.757 -6.952 466 HG CYS 63 HG CYS 63 -0.413 -17.244 -5.418 467 HA PRO 64 HA PRO 64 5.515 -12.063 -5.966 468 HB2 PRO 64 2HB PRO 64 6.935 -12.716 -8.277 469 HB3 PRO 64 3HB PRO 64 7.489 -13.067 -6.627 470 HG2 PRO 64 2HG PRO 64 6.087 -14.876 -8.574 471 HG3 PRO 64 3HG PRO 64 7.481 -15.215 -7.517 472 HD2 PRO 64 2HD PRO 64 5.023 -16.039 -6.829 473 HD3 PRO 64 3HD PRO 64 6.151 -15.436 -5.596 474 H SER 65 H SER 65 3.635 -13.807 -8.336 475 HA SER 65 HA SER 65 3.084 -11.769 -10.192 476 HB2 SER 65 2HB SER 65 0.978 -13.183 -10.601 477 HB3 SER 65 3HB SER 65 2.510 -14.045 -10.741 478 HG SER 65 HG SER 65 0.826 -15.107 -9.470 479 H SER 66 H SER 66 1.312 -12.835 -7.277 480 HA SER 66 HA SER 66 -0.673 -10.790 -7.356 481 HB2 SER 66 2HB SER 66 0.167 -12.611 -5.066 482 HB3 SER 66 3HB SER 66 -1.328 -11.667 -5.135 483 HG SER 66 HG SER 66 -1.685 -12.890 -7.183 484 H ILE 67 H ILE 67 2.518 -11.013 -5.847 485 HA ILE 67 HA ILE 67 2.408 -8.796 -4.112 486 HB ILE 67 HB ILE 67 4.767 -9.915 -5.693 487 HG12 ILE 67 2HG1 ILE 67 3.998 -10.302 -2.761 488 HG13 ILE 67 3HG1 ILE 67 3.734 -11.480 -4.041 489 HG21 ILE 67 1HG2 ILE 67 4.861 -7.902 -3.408 490 HG22 ILE 67 2HG2 ILE 67 5.277 -7.590 -5.092 491 HG23 ILE 67 3HG2 ILE 67 6.265 -8.690 -4.133 492 HD11 ILE 67 3HD1 ILE 67 5.644 -12.090 -2.719 493 HD12 ILE 67 1HD1 ILE 67 6.402 -10.526 -3.004 494 HD13 ILE 67 2HD1 ILE 67 6.182 -11.656 -4.340 495 H ILE 68 H ILE 68 3.451 -9.002 -7.533 496 HA ILE 68 HA ILE 68 3.954 -6.241 -7.900 497 HB ILE 68 HB ILE 68 3.334 -8.417 -9.947 498 HG12 ILE 68 2HG1 ILE 68 5.991 -7.154 -9.089 499 HG13 ILE 68 3HG1 ILE 68 5.435 -8.767 -8.659 500 HG21 ILE 68 1HG2 ILE 68 2.781 -6.242 -10.946 501 HG22 ILE 68 2HG2 ILE 68 4.245 -6.889 -11.683 502 HG23 ILE 68 3HG2 ILE 68 4.359 -5.599 -10.484 503 HD11 ILE 68 3HD1 ILE 68 7.098 -8.882 -10.399 504 HD12 ILE 68 1HD1 ILE 68 6.161 -7.800 -11.429 505 HD13 ILE 68 2HD1 ILE 68 5.545 -9.410 -11.045 506 H THR 69 H THR 69 1.052 -8.221 -8.578 507 HA THR 69 HA THR 69 -0.478 -6.223 -9.851 508 HB THR 69 HB THR 69 -1.527 -8.633 -8.304 509 HG1 THR 69 HG1 THR 69 -0.568 -9.729 -9.824 510 HG21 THR 69 3HG2 THR 69 -2.772 -7.069 -10.604 511 HG22 THR 69 1HG2 THR 69 -3.313 -7.022 -8.923 512 HG23 THR 69 2HG2 THR 69 -3.451 -8.513 -9.853 513 H LEU 70 H LEU 70 -0.396 -7.274 -6.424 514 HA LEU 70 HA LEU 70 -2.368 -5.482 -5.454 515 HB2 LEU 70 2HB LEU 70 -1.606 -7.492 -4.203 516 HB3 LEU 70 3HB LEU 70 -0.038 -6.746 -3.964 517 HG LEU 70 HG LEU 70 -1.115 -4.954 -2.582 518 HD11 LEU 70 1HD1 LEU 70 -3.358 -4.961 -3.533 519 HD12 LEU 70 2HD1 LEU 70 -3.427 -5.204 -1.791 520 HD13 LEU 70 3HD1 LEU 70 -3.660 -6.575 -2.880 521 HD21 LEU 70 3HD2 LEU 70 -0.131 -6.905 -1.473 522 HD22 LEU 70 1HD2 LEU 70 -1.669 -7.766 -1.587 523 HD23 LEU 70 2HD2 LEU 70 -1.534 -6.317 -0.587 524 H LYS 71 H LYS 71 1.177 -5.305 -5.591 525 HA LYS 71 HA LYS 71 1.641 -2.853 -4.357 526 HB2 LYS 71 2HB LYS 71 3.414 -4.486 -4.927 527 HB3 LYS 71 3HB LYS 71 3.188 -4.145 -6.635 528 HG2 LYS 71 2HG LYS 71 3.728 -1.635 -5.366 529 HG3 LYS 71 3HG LYS 71 4.883 -2.788 -4.704 530 HD2 LYS 71 2HD LYS 71 4.452 -2.155 -7.655 531 HD3 LYS 71 3HD LYS 71 5.804 -1.622 -6.653 532 HE2 LYS 71 2HE LYS 71 6.399 -4.068 -6.328 533 HE3 LYS 71 3HE LYS 71 5.167 -4.461 -7.529 534 HZ1 LYS 71 3HZ LYS 71 7.634 -2.861 -7.940 535 HZ2 LYS 71 1HZ LYS 71 6.398 -2.991 -9.090 536 HZ3 LYS 71 2HZ LYS 71 7.252 -4.361 -8.608 537 H ASN 72 H ASN 72 0.967 -3.570 -7.758 538 HA ASN 72 HA ASN 72 1.294 -0.959 -8.805 539 HB2 ASN 72 2HB ASN 72 -0.040 -3.459 -9.886 540 HB3 ASN 72 3HB ASN 72 -0.066 -1.949 -10.792 541 HD21 ASN 72 1HD2 ASN 72 1.073 -3.062 -12.465 542 HD22 ASN 72 2HD2 ASN 72 2.774 -3.335 -12.343 543 H GLY 73 H GLY 73 -1.545 -2.794 -7.722 544 HA2 GLY 73 2HA GLY 73 -3.559 -0.964 -8.443 545 HA3 GLY 73 3HA GLY 73 -3.678 -2.175 -7.178 546 H ILE 74 H ILE 74 -1.820 -1.408 -5.378 547 HA ILE 74 HA ILE 74 -2.968 0.736 -3.924 548 HB ILE 74 HB ILE 74 -0.242 -0.613 -3.570 549 HG12 ILE 74 2HG1 ILE 74 -2.856 -1.184 -2.080 550 HG13 ILE 74 3HG1 ILE 74 -2.209 -2.181 -3.378 551 HG21 ILE 74 1HG2 ILE 74 -1.782 1.161 -1.633 552 HG22 ILE 74 2HG2 ILE 74 -0.255 1.544 -2.429 553 HG23 ILE 74 3HG2 ILE 74 -0.320 0.254 -1.235 554 HD11 ILE 74 3HD1 ILE 74 -1.735 -3.174 -1.228 555 HD12 ILE 74 1HD1 ILE 74 -0.916 -1.708 -0.686 556 HD13 ILE 74 2HD1 ILE 74 -0.228 -2.675 -1.994 557 H GLN 75 H GLN 75 -0.099 0.460 -5.987 558 HA GLN 75 HA GLN 75 1.152 2.900 -5.434 559 HB2 GLN 75 2HB GLN 75 2.206 1.001 -6.663 560 HB3 GLN 75 3HB GLN 75 1.198 1.359 -8.060 561 HG2 GLN 75 2HG GLN 75 2.295 3.560 -8.284 562 HG3 GLN 75 3HG GLN 75 3.283 3.213 -6.866 563 HE21 GLN 75 1HE2 GLN 75 3.729 0.396 -7.623 564 HE22 GLN 75 2HE2 GLN 75 4.857 0.439 -8.923 565 H ASN 76 H ASN 76 -0.991 2.067 -8.177 566 HA ASN 76 HA ASN 76 -1.190 4.692 -9.202 567 HB2 ASN 76 2HB ASN 76 -2.919 2.236 -9.644 568 HB3 ASN 76 3HB ASN 76 -3.228 3.768 -10.460 569 HD21 ASN 76 1HD2 ASN 76 -1.399 0.884 -10.509 570 HD22 ASN 76 2HD2 ASN 76 -0.382 1.284 -11.845 571 H MET 77 H MET 77 -3.055 2.977 -6.723 572 HA MET 77 HA MET 77 -5.233 4.809 -6.566 573 HB2 MET 77 2HB MET 77 -5.300 2.510 -5.636 574 HB3 MET 77 3HB MET 77 -4.105 2.957 -4.429 575 HG2 MET 77 2HG MET 77 -6.742 4.406 -4.595 576 HG3 MET 77 3HG MET 77 -6.602 2.873 -3.744 577 HE1 MET 77 3HE MET 77 -5.326 2.509 -1.511 578 HE2 MET 77 1HE MET 77 -4.273 3.708 -0.760 579 HE3 MET 77 2HE MET 77 -3.805 2.960 -2.286 580 H LEU 78 H LEU 78 -2.210 4.557 -4.685 581 HA LEU 78 HA LEU 78 -2.589 6.846 -3.069 582 HB2 LEU 78 2HB LEU 78 -0.081 5.322 -3.837 583 HB3 LEU 78 3HB LEU 78 -0.080 6.643 -2.677 584 HG LEU 78 HG LEU 78 -1.591 4.018 -2.350 585 HD11 LEU 78 1HD1 LEU 78 0.926 4.996 -0.978 586 HD12 LEU 78 2HD1 LEU 78 0.810 3.675 -2.145 587 HD13 LEU 78 3HD1 LEU 78 0.032 3.527 -0.571 588 HD21 LEU 78 3HD2 LEU 78 -2.786 5.845 -1.255 589 HD22 LEU 78 1HD2 LEU 78 -1.307 6.361 -0.439 590 HD23 LEU 78 2HD2 LEU 78 -2.041 4.803 -0.045 591 H GLN 79 H GLN 79 -1.085 6.374 -6.232 592 HA GLN 79 HA GLN 79 0.003 9.013 -6.492 593 HB2 GLN 79 2HB GLN 79 -0.566 6.861 -8.557 594 HB3 GLN 79 3HB GLN 79 0.234 8.388 -8.934 595 HG2 GLN 79 2HG GLN 79 2.089 7.823 -7.465 596 HG3 GLN 79 3HG GLN 79 1.275 6.350 -6.945 597 HE21 GLN 79 1HE2 GLN 79 3.895 6.717 -8.218 598 HE22 GLN 79 2HE2 GLN 79 3.871 5.749 -9.649 599 H PHE 80 H PHE 80 -3.095 7.544 -7.119 600 HA PHE 80 HA PHE 80 -4.181 9.373 -8.981 601 HB2 PHE 80 2HB PHE 80 -5.092 7.087 -8.494 602 HB3 PHE 80 3HB PHE 80 -5.634 7.654 -6.923 603 HD1 PHE 80 HD1 PHE 80 -6.033 8.373 -10.584 604 HD2 PHE 80 HD2 PHE 80 -7.865 8.458 -6.716 605 HE1 PHE 80 HE1 PHE 80 -8.175 9.006 -11.605 606 HE2 PHE 80 HE2 PHE 80 -9.998 9.092 -7.749 607 HZ PHE 80 HZ PHE 80 -10.159 9.369 -10.190 608 H TYR 81 H TYR 81 -4.318 9.208 -5.439 609 HA TYR 81 HA TYR 81 -5.741 11.759 -5.231 610 HB2 TYR 81 2HB TYR 81 -4.824 9.806 -3.077 611 HB3 TYR 81 3HB TYR 81 -5.797 11.247 -2.782 612 HD1 TYR 81 HD1 TYR 81 -8.105 11.396 -3.935 613 HD2 TYR 81 HD2 TYR 81 -5.911 7.735 -3.665 614 HE1 TYR 81 HE1 TYR 81 -10.152 10.134 -4.417 615 HE2 TYR 81 HE2 TYR 81 -7.957 6.470 -4.149 616 HH TYR 81 HH TYR 81 -10.766 7.915 -5.375 617 H ILE 82 H ILE 82 -2.500 10.464 -4.747 618 HA ILE 82 HA ILE 82 -1.513 13.080 -3.750 619 HB ILE 82 HB ILE 82 -0.437 10.350 -2.912 620 HG12 ILE 82 2HG1 ILE 82 -2.127 12.238 -1.201 621 HG13 ILE 82 3HG1 ILE 82 -2.782 10.837 -2.039 622 HG21 ILE 82 1HG2 ILE 82 0.841 11.607 -1.208 623 HG22 ILE 82 2HG2 ILE 82 0.194 13.127 -1.832 624 HG23 ILE 82 3HG2 ILE 82 1.250 12.137 -2.840 625 HD11 ILE 82 3HD1 ILE 82 -2.410 10.343 0.275 626 HD12 ILE 82 1HD1 ILE 82 -0.713 10.800 0.143 627 HD13 ILE 82 2HD1 ILE 82 -1.316 9.381 -0.718 628 HA PRO 83 HA PRO 83 0.920 12.331 -7.593 629 HB2 PRO 83 2HB PRO 83 1.853 14.891 -7.877 630 HB3 PRO 83 3HB PRO 83 0.174 14.454 -8.272 631 HG2 PRO 83 2HG PRO 83 1.247 15.692 -5.737 632 HG3 PRO 83 3HG PRO 83 -0.150 16.191 -6.724 633 HD2 PRO 83 2HD PRO 83 -0.485 14.697 -4.499 634 HD3 PRO 83 3HD PRO 83 -1.512 14.464 -5.930 635 H GLU 84 H GLU 84 1.957 13.172 -4.445 636 HA GLU 84 HA GLU 84 4.749 13.516 -4.853 637 HB2 GLU 84 2HB GLU 84 3.276 12.684 -2.316 638 HB3 GLU 84 3HB GLU 84 4.934 13.288 -2.392 639 HG2 GLU 84 2HG GLU 84 2.409 14.839 -3.081 640 HG3 GLU 84 3HG GLU 84 3.398 15.041 -1.637 641 H VAL 85 H VAL 85 2.726 10.693 -4.520 642 HA VAL 85 HA VAL 85 4.776 8.817 -3.777 643 HB VAL 85 HB VAL 85 2.020 8.331 -4.996 644 HG11 VAL 85 1HG1 VAL 85 3.882 6.360 -3.608 645 HG12 VAL 85 2HG1 VAL 85 3.455 6.356 -5.319 646 HG13 VAL 85 3HG1 VAL 85 2.222 6.011 -4.105 647 HG21 VAL 85 3HG2 VAL 85 2.892 8.286 -2.074 648 HG22 VAL 85 1HG2 VAL 85 1.284 7.859 -2.668 649 HG23 VAL 85 2HG2 VAL 85 1.875 9.514 -2.830 650 H GLU 86 H GLU 86 6.328 8.115 -5.087 651 HA GLU 86 HA GLU 86 6.122 8.214 -8.010 652 HB2 GLU 86 2HB GLU 86 8.448 7.730 -6.114 653 HB3 GLU 86 3HB GLU 86 8.600 7.613 -7.868 654 HG2 GLU 86 2HG GLU 86 7.739 10.110 -6.355 655 HG3 GLU 86 3HG GLU 86 9.376 9.799 -6.934 656 H GLY 87 H GLY 87 6.294 5.924 -5.347 657 HA2 GLY 87 2HA GLY 87 5.376 3.742 -6.934 658 HA3 GLY 87 3HA GLY 87 7.098 3.599 -6.600 659 H VAL 88 H VAL 88 5.854 1.607 -5.731 660 HA VAL 88 HA VAL 88 5.712 1.882 -2.794 661 HB VAL 88 HB VAL 88 3.915 0.153 -4.564 662 HG11 VAL 88 1HG1 VAL 88 4.591 -1.198 -2.629 663 HG12 VAL 88 2HG1 VAL 88 2.892 -0.751 -2.484 664 HG13 VAL 88 3HG1 VAL 88 4.111 0.097 -1.528 665 HG21 VAL 88 3HG2 VAL 88 2.028 1.358 -3.484 666 HG22 VAL 88 1HG2 VAL 88 3.105 2.466 -4.337 667 HG23 VAL 88 2HG2 VAL 88 3.180 2.345 -2.578 668 H GLU 89 H GLU 89 7.064 0.440 -1.758 669 HA GLU 89 HA GLU 89 8.370 -1.721 -3.319 670 HB2 GLU 89 2HB GLU 89 9.972 0.012 -2.624 671 HB3 GLU 89 3HB GLU 89 9.439 -0.115 -0.952 672 HG2 GLU 89 2HG GLU 89 10.332 -2.395 -0.806 673 HG3 GLU 89 3HG GLU 89 10.797 -2.343 -2.512 674 H GLN 90 H GLN 90 8.389 -3.779 -2.438 675 HA GLN 90 HA GLN 90 6.642 -4.356 -0.172 676 HB2 GLN 90 2HB GLN 90 6.522 -5.840 -2.112 677 HB3 GLN 90 3HB GLN 90 8.253 -6.158 -2.031 678 HG2 GLN 90 2HG GLN 90 7.833 -7.186 0.270 679 HG3 GLN 90 3HG GLN 90 6.111 -7.064 -0.081 680 HE21 GLN 90 1HE2 GLN 90 5.865 -9.288 0.049 681 HE22 GLN 90 2HE2 GLN 90 6.469 -10.374 -1.145 682 H VAL 91 H VAL 91 7.414 -4.455 1.873 683 HA VAL 91 HA VAL 91 10.098 -5.555 2.394 684 HB VAL 91 HB VAL 91 10.214 -4.012 4.439 685 HG11 VAL 91 1HG1 VAL 91 10.250 -2.623 1.731 686 HG12 VAL 91 2HG1 VAL 91 11.580 -3.539 2.443 687 HG13 VAL 91 3HG1 VAL 91 11.043 -2.035 3.196 688 HG21 VAL 91 3HG2 VAL 91 7.842 -3.340 4.576 689 HG22 VAL 91 1HG2 VAL 91 7.974 -2.505 3.026 690 HG23 VAL 91 2HG2 VAL 91 8.877 -1.920 4.427 691 H MET 92 H MET 92 9.733 -7.527 3.319 692 HA MET 92 HA MET 92 7.176 -8.050 4.674 693 HB2 MET 92 2HB MET 92 9.340 -9.997 3.751 694 HB3 MET 92 3HB MET 92 7.826 -10.465 4.512 695 HG2 MET 92 2HG MET 92 6.598 -9.437 2.602 696 HG3 MET 92 3HG MET 92 8.148 -9.127 1.818 697 HE1 MET 92 3HE MET 92 9.812 -11.099 1.013 698 HE2 MET 92 1HE MET 92 9.455 -12.811 1.224 699 HE3 MET 92 2HE MET 92 9.803 -11.806 2.630 700 H ASP 93 H ASP 93 7.520 -7.046 6.657 701 HA ASP 93 HA ASP 93 9.631 -7.871 8.473 702 HB2 ASP 93 2HB ASP 93 8.924 -5.591 8.685 703 HB3 ASP 93 3HB ASP 93 7.226 -6.031 8.718 704 H ASP 94 H ASP 94 9.042 -10.174 8.113 705 HA ASP 94 HA ASP 94 7.457 -11.120 10.361 706 HB2 ASP 94 2HB ASP 94 5.877 -11.069 8.344 707 HB3 ASP 94 3HB ASP 94 6.924 -12.252 7.572 708 H GLU 95 H GLU 95 8.671 -12.544 11.376 709 HA GLU 95 HA GLU 95 10.532 -13.570 12.058 710 HB2 GLU 95 2HB GLU 95 11.011 -15.733 11.124 711 HB3 GLU 95 3HB GLU 95 9.279 -15.475 11.012 712 HG2 GLU 95 2HG GLU 95 9.490 -15.036 8.606 713 HG3 GLU 95 3HG GLU 95 11.238 -15.206 8.708 714 H SER 96 H SER 96 11.047 -11.194 10.509 715 HA SER 96 HA SER 96 13.700 -11.755 9.318 716 HB2 SER 96 2HB SER 96 11.937 -11.434 7.556 717 HB3 SER 96 3HB SER 96 11.621 -9.825 8.204 718 HG SER 96 HG SER 96 14.253 -10.500 7.491 719 H ASP 97 H ASP 97 12.174 -10.205 11.790 720 HA ASP 97 HA ASP 97 14.438 -8.472 12.273 721 HB2 ASP 97 2HB ASP 97 13.053 -6.975 10.866 722 HB3 ASP 97 3HB ASP 97 11.675 -7.206 11.943 Start of MODEL 19 1 H1 MET 1 1H MET 1 0.308 -7.637 22.212 2 H2 MET 1 2H MET 1 0.829 -7.678 20.614 3 H3 MET 1 3H MET 1 -0.625 -6.912 20.998 4 HA MET 1 HA MET 1 1.079 -5.290 20.586 5 HB2 MET 1 2HB MET 1 0.509 -5.474 23.585 6 HB3 MET 1 3HB MET 1 0.961 -4.016 22.705 7 HG2 MET 1 2HG MET 1 -1.401 -3.932 23.136 8 HG3 MET 1 3HG MET 1 -1.181 -4.218 21.409 9 HE1 MET 1 3HE MET 1 -0.797 -6.866 24.361 10 HE2 MET 1 1HE MET 1 -2.434 -7.527 24.403 11 HE3 MET 1 2HE MET 1 -2.149 -5.855 24.881 12 H GLY 2 H GLY 2 3.250 -5.222 20.287 13 HA2 GLY 2 2HA GLY 2 5.119 -6.817 21.801 14 HA3 GLY 2 3HA GLY 2 5.504 -5.632 20.557 15 H HIS 3 H HIS 3 6.542 -3.870 21.268 16 HA HIS 3 HA HIS 3 6.757 -3.145 24.042 17 HB2 HIS 3 2HB HIS 3 8.564 -2.796 22.308 18 HB3 HIS 3 3HB HIS 3 7.571 -1.554 21.559 19 HD1 HIS 3 HD1 HIS 3 8.464 0.636 22.124 20 HD2 HIS 3 HD2 HIS 3 8.901 -1.991 25.297 21 HE1 HIS 3 HE1 HIS 3 9.580 1.955 23.923 22 HE2 HIS 3 HE2 HIS 3 10.037 0.278 25.744 23 H HIS 4 H HIS 4 5.609 -1.550 25.169 24 HA HIS 4 HA HIS 4 2.959 -1.083 24.425 25 HB2 HIS 4 2HB HIS 4 4.616 0.373 26.516 26 HB3 HIS 4 3HB HIS 4 2.875 0.562 26.340 27 HD1 HIS 4 HD1 HIS 4 4.252 -0.538 28.931 28 HD2 HIS 4 HD2 HIS 4 2.538 -2.864 25.950 29 HE1 HIS 4 HE1 HIS 4 3.629 -2.702 30.036 30 HE2 HIS 4 HE2 HIS 4 2.735 -4.143 28.171 31 H HIS 5 H HIS 5 5.594 1.385 24.596 32 HA HIS 5 HA HIS 5 4.191 3.096 22.688 33 HB2 HIS 5 2HB HIS 5 5.656 4.011 24.592 34 HB3 HIS 5 3HB HIS 5 7.051 3.451 23.678 35 HD1 HIS 5 HD1 HIS 5 8.000 5.168 22.118 36 HD2 HIS 5 HD2 HIS 5 4.031 5.925 23.030 37 HE1 HIS 5 HE1 HIS 5 7.461 7.338 20.998 38 HE2 HIS 5 HE2 HIS 5 5.142 7.888 21.804 39 H HIS 6 H HIS 6 4.008 1.698 21.002 40 HA HIS 6 HA HIS 6 5.829 -0.130 19.986 41 HB2 HIS 6 2HB HIS 6 3.400 -0.182 19.600 42 HB3 HIS 6 3HB HIS 6 3.493 1.286 18.646 43 HD1 HIS 6 HD1 HIS 6 4.267 1.067 16.197 44 HD2 HIS 6 HD2 HIS 6 4.175 -2.547 18.250 45 HE1 HIS 6 HE1 HIS 6 4.460 -0.712 14.443 46 HE2 HIS 6 HE2 HIS 6 4.581 -2.869 15.728 47 H HIS 7 H HIS 7 6.933 -0.186 17.851 48 HA HIS 7 HA HIS 7 8.528 2.076 17.244 49 HB2 HIS 7 2HB HIS 7 9.256 -0.212 16.702 50 HB3 HIS 7 3HB HIS 7 7.963 -0.366 15.515 51 HD1 HIS 7 HD1 HIS 7 9.343 -0.508 13.364 52 HD2 HIS 7 HD2 HIS 7 10.435 2.722 15.716 53 HE1 HIS 7 HE1 HIS 7 10.934 0.827 11.972 54 HE2 HIS 7 HE2 HIS 7 11.401 2.875 13.343 55 H HIS 8 H HIS 8 7.189 3.772 16.975 56 HA HIS 8 HA HIS 8 5.293 3.899 14.733 57 HB2 HIS 8 2HB HIS 8 4.383 4.508 16.931 58 HB3 HIS 8 3HB HIS 8 5.690 5.650 17.215 59 HD1 HIS 8 HD1 HIS 8 5.244 8.015 16.553 60 HD2 HIS 8 HD2 HIS 8 2.561 5.373 14.799 61 HE1 HIS 8 HE1 HIS 8 3.496 9.446 15.470 62 HE2 HIS 8 HE2 HIS 8 1.957 7.828 14.321 63 H SER 9 H SER 9 7.380 6.301 16.330 64 HA SER 9 HA SER 9 9.298 6.709 14.399 65 HB2 SER 9 2HB SER 9 8.495 8.947 13.416 66 HB3 SER 9 3HB SER 9 7.636 7.525 12.832 67 HG SER 9 HG SER 9 5.866 8.262 13.660 68 H HIS 10 H HIS 10 10.860 7.896 15.344 69 HA HIS 10 HA HIS 10 10.166 9.730 17.568 70 HB2 HIS 10 2HB HIS 10 12.793 8.289 16.962 71 HB3 HIS 10 3HB HIS 10 12.591 9.503 18.219 72 HD1 HIS 10 HD1 HIS 10 11.955 8.607 20.496 73 HD2 HIS 10 HD2 HIS 10 11.100 5.928 17.443 74 HE1 HIS 10 HE1 HIS 10 11.180 6.503 21.632 75 HE2 HIS 10 HE2 HIS 10 10.846 4.852 19.760 76 H MET 11 H MET 11 10.697 11.862 17.394 77 HA MET 11 HA MET 11 10.915 13.867 16.422 78 HB2 MET 11 2HB MET 11 13.066 12.549 14.717 79 HB3 MET 11 3HB MET 11 12.757 14.280 14.754 80 HG2 MET 11 2HG MET 11 14.632 13.967 16.156 81 HG3 MET 11 3HG MET 11 13.283 14.142 17.278 82 HE1 MET 11 3HE MET 11 15.421 10.160 16.281 83 HE2 MET 11 1HE MET 11 15.921 11.742 15.676 84 HE3 MET 11 2HE MET 11 14.438 10.992 15.079 85 H GLY 12 H GLY 12 11.496 11.773 13.565 86 HA2 GLY 12 2HA GLY 12 9.009 11.436 12.550 87 HA3 GLY 12 3HA GLY 12 9.455 13.046 11.978 88 H SER 13 H SER 13 9.028 10.600 10.437 89 HA SER 13 HA SER 13 11.522 9.851 9.260 90 HB2 SER 13 2HB SER 13 9.963 9.077 7.359 91 HB3 SER 13 3HB SER 13 9.653 8.370 8.944 92 HG SER 13 HG SER 13 8.001 9.812 7.399 93 H GLU 14 H GLU 14 8.943 12.111 8.316 94 HA GLU 14 HA GLU 14 10.788 14.157 7.496 95 HB2 GLU 14 2HB GLU 14 10.021 14.379 5.171 96 HB3 GLU 14 3HB GLU 14 10.727 12.785 5.420 97 HG2 GLU 14 2HG GLU 14 8.423 11.844 5.636 98 HG3 GLU 14 3HG GLU 14 7.764 13.436 5.256 99 H GLU 15 H GLU 15 9.683 16.205 7.183 100 HA GLU 15 HA GLU 15 7.189 16.454 8.625 101 HB2 GLU 15 2HB GLU 15 8.975 18.519 7.286 102 HB3 GLU 15 3HB GLU 15 7.456 18.937 8.078 103 HG2 GLU 15 2HG GLU 15 8.370 17.890 10.203 104 HG3 GLU 15 3HG GLU 15 9.926 17.737 9.378 105 H ASP 16 H ASP 16 5.655 18.303 7.469 106 HA ASP 16 HA ASP 16 3.653 18.144 6.422 107 HB2 ASP 16 2HB ASP 16 5.474 17.509 4.065 108 HB3 ASP 16 3HB ASP 16 3.736 17.700 3.884 109 H ASP 17 H ASP 17 4.092 16.135 7.988 110 HA ASP 17 HA ASP 17 4.015 13.522 6.846 111 HB2 ASP 17 2HB ASP 17 3.700 12.702 9.105 112 HB3 ASP 17 3HB ASP 17 4.893 13.992 9.150 113 H GLY 18 H GLY 18 1.636 15.903 6.964 114 HA2 GLY 18 2HA GLY 18 -0.767 14.544 7.182 115 HA3 GLY 18 3HA GLY 18 -0.468 15.901 6.104 116 H VAL 19 H VAL 19 1.441 14.714 4.389 117 HA VAL 19 HA VAL 19 -0.024 13.182 2.542 118 HB VAL 19 HB VAL 19 3.016 13.393 2.895 119 HG11 VAL 19 1HG1 VAL 19 2.503 11.349 1.603 120 HG12 VAL 19 2HG1 VAL 19 3.204 12.574 0.545 121 HG13 VAL 19 3HG1 VAL 19 1.465 12.277 0.515 122 HG21 VAL 19 3HG2 VAL 19 2.911 15.006 1.022 123 HG22 VAL 19 1HG2 VAL 19 1.925 15.557 2.381 124 HG23 VAL 19 2HG2 VAL 19 1.156 14.838 0.964 125 H VAL 20 H VAL 20 2.445 12.241 4.875 126 HA VAL 20 HA VAL 20 2.473 9.458 4.490 127 HB VAL 20 HB VAL 20 3.194 11.119 6.961 128 HG11 VAL 20 1HG1 VAL 20 2.942 8.757 7.597 129 HG12 VAL 20 2HG1 VAL 20 4.646 9.211 7.628 130 HG13 VAL 20 3HG1 VAL 20 4.006 8.270 6.282 131 HG21 VAL 20 3HG2 VAL 20 5.525 11.016 6.111 132 HG22 VAL 20 1HG2 VAL 20 4.461 11.792 4.933 133 HG23 VAL 20 2HG2 VAL 20 4.977 10.122 4.692 134 H ALA 21 H ALA 21 0.411 11.539 6.401 135 HA ALA 21 HA ALA 21 -0.699 9.532 8.133 136 HB1 ALA 21 3HB ALA 21 -0.519 11.881 8.876 137 HB2 ALA 21 1HB ALA 21 -2.197 11.328 8.920 138 HB3 ALA 21 2HB ALA 21 -1.642 12.377 7.610 139 H MET 22 H MET 22 -1.749 11.268 5.202 140 HA MET 22 HA MET 22 -4.339 10.067 5.139 141 HB2 MET 22 2HB MET 22 -4.673 11.122 3.007 142 HB3 MET 22 3HB MET 22 -3.839 12.265 4.047 143 HG2 MET 22 2HG MET 22 -1.731 11.772 2.894 144 HG3 MET 22 3HG MET 22 -2.565 10.611 1.862 145 HE1 MET 22 3HE MET 22 -3.661 14.259 3.104 146 HE2 MET 22 1HE MET 22 -3.156 15.196 1.698 147 HE3 MET 22 2HE MET 22 -1.948 14.386 2.696 148 H ILE 23 H ILE 23 -1.167 9.205 3.771 149 HA ILE 23 HA ILE 23 -1.942 7.052 2.133 150 HB ILE 23 HB ILE 23 0.591 7.331 3.827 151 HG12 ILE 23 2HG1 ILE 23 0.206 7.798 0.833 152 HG13 ILE 23 3HG1 ILE 23 0.276 9.075 2.035 153 HG21 ILE 23 1HG2 ILE 23 0.214 4.962 3.297 154 HG22 ILE 23 2HG2 ILE 23 1.584 5.574 2.376 155 HG23 ILE 23 3HG2 ILE 23 0.022 5.350 1.585 156 HD11 ILE 23 3HD1 ILE 23 2.382 8.904 0.891 157 HD12 ILE 23 1HD1 ILE 23 2.520 7.193 1.297 158 HD13 ILE 23 2HD1 ILE 23 2.599 8.414 2.571 159 H LYS 24 H LYS 24 -1.111 7.149 5.616 160 HA LYS 24 HA LYS 24 -1.490 4.474 6.293 161 HB2 LYS 24 2HB LYS 24 -1.976 6.975 7.951 162 HB3 LYS 24 3HB LYS 24 -1.945 5.346 8.630 163 HG2 LYS 24 2HG LYS 24 0.382 5.069 8.033 164 HG3 LYS 24 3HG LYS 24 0.383 6.597 7.142 165 HD2 LYS 24 2HD LYS 24 -0.053 7.829 9.251 166 HD3 LYS 24 3HD LYS 24 -0.054 6.303 10.143 167 HE2 LYS 24 2HE LYS 24 2.296 5.953 9.622 168 HE3 LYS 24 3HE LYS 24 2.317 7.380 8.587 169 HZ1 LYS 24 3HZ LYS 24 1.879 7.354 11.517 170 HZ2 LYS 24 1HZ LYS 24 1.829 8.734 10.540 171 HZ3 LYS 24 2HZ LYS 24 3.275 7.876 10.722 172 H GLU 25 H GLU 25 -3.979 7.060 6.087 173 HA GLU 25 HA GLU 25 -6.029 5.394 7.231 174 HB2 GLU 25 2HB GLU 25 -7.540 7.184 6.999 175 HB3 GLU 25 3HB GLU 25 -5.999 7.979 7.285 176 HG2 GLU 25 2HG GLU 25 -5.802 8.521 4.917 177 HG3 GLU 25 3HG GLU 25 -7.276 7.620 4.556 178 H LEU 26 H LEU 26 -5.105 6.369 3.913 179 HA LEU 26 HA LEU 26 -7.296 5.262 2.516 180 HB2 LEU 26 2HB LEU 26 -4.452 5.845 1.628 181 HB3 LEU 26 3HB LEU 26 -5.729 5.359 0.519 182 HG LEU 26 HG LEU 26 -5.867 7.875 2.227 183 HD11 LEU 26 1HD1 LEU 26 -5.325 9.130 0.204 184 HD12 LEU 26 2HD1 LEU 26 -5.041 7.622 -0.670 185 HD13 LEU 26 3HD1 LEU 26 -3.998 8.075 0.684 186 HD21 LEU 26 3HD2 LEU 26 -8.056 7.018 1.550 187 HD22 LEU 26 1HD2 LEU 26 -7.534 6.977 -0.139 188 HD23 LEU 26 2HD2 LEU 26 -7.679 8.520 0.710 189 H LEU 27 H LEU 27 -4.205 3.896 3.561 190 HA LEU 27 HA LEU 27 -4.457 1.340 2.370 191 HB2 LEU 27 2HB LEU 27 -3.056 2.185 4.932 192 HB3 LEU 27 3HB LEU 27 -2.873 0.605 4.179 193 HG LEU 27 HG LEU 27 -2.028 3.250 2.921 194 HD11 LEU 27 1HD1 LEU 27 0.264 2.533 3.335 195 HD12 LEU 27 2HD1 LEU 27 -0.319 1.097 4.181 196 HD13 LEU 27 3HD1 LEU 27 -0.634 2.705 4.843 197 HD21 LEU 27 3HD2 LEU 27 -2.649 1.591 1.233 198 HD22 LEU 27 1HD2 LEU 27 -1.569 0.407 1.973 199 HD23 LEU 27 2HD2 LEU 27 -0.910 1.868 1.226 200 H ASP 28 H ASP 28 -5.302 2.577 5.622 201 HA ASP 28 HA ASP 28 -6.109 0.054 6.641 202 HB2 ASP 28 2HB ASP 28 -5.292 1.990 8.007 203 HB3 ASP 28 3HB ASP 28 -6.823 2.815 7.696 204 H THR 29 H THR 29 -7.874 2.575 4.989 205 HA THR 29 HA THR 29 -10.503 1.573 5.742 206 HB THR 29 HB THR 29 -11.340 3.569 4.454 207 HG1 THR 29 HG1 THR 29 -9.050 4.912 4.201 208 HG21 THR 29 3HG2 THR 29 -10.486 5.295 5.998 209 HG22 THR 29 1HG2 THR 29 -9.177 4.216 6.488 210 HG23 THR 29 2HG2 THR 29 -10.853 3.803 6.866 211 H ARG 30 H ARG 30 -8.509 1.900 2.788 212 HA ARG 30 HA ARG 30 -10.632 0.593 1.203 213 HB2 ARG 30 2HB ARG 30 -8.089 1.921 0.200 214 HB3 ARG 30 3HB ARG 30 -9.438 1.347 -0.782 215 HG2 ARG 30 2HG ARG 30 -10.888 3.065 0.451 216 HG3 ARG 30 3HG ARG 30 -9.387 3.734 1.102 217 HD2 ARG 30 2HD ARG 30 -10.039 5.009 -0.863 218 HD3 ARG 30 3HD ARG 30 -8.587 4.078 -1.249 219 HE ARG 30 HE ARG 30 -10.845 2.561 -1.968 220 HH11 ARG 30 1HH1 ARG 30 -9.187 5.464 -3.042 221 HH12 ARG 30 2HH1 ARG 30 -9.711 5.290 -4.681 222 HH21 ARG 30 1HH2 ARG 30 -11.548 2.367 -4.092 223 HH22 ARG 30 2HH2 ARG 30 -11.055 3.529 -5.284 224 H ILE 31 H ILE 31 -7.113 0.294 1.838 225 HA ILE 31 HA ILE 31 -6.860 -1.933 0.002 226 HB ILE 31 HB ILE 31 -4.802 -0.704 1.881 227 HG12 ILE 31 2HG1 ILE 31 -5.564 0.920 0.175 228 HG13 ILE 31 3HG1 ILE 31 -3.902 0.438 -0.135 229 HG21 ILE 31 1HG2 ILE 31 -4.168 -2.997 1.311 230 HG22 ILE 31 2HG2 ILE 31 -3.089 -1.864 0.502 231 HG23 ILE 31 3HG2 ILE 31 -4.376 -2.662 -0.409 232 HD11 ILE 31 3HD1 ILE 31 -5.182 0.637 -2.175 233 HD12 ILE 31 1HD1 ILE 31 -6.339 -0.560 -1.600 234 HD13 ILE 31 2HD1 ILE 31 -4.668 -1.032 -1.931 235 H ARG 32 H ARG 32 -6.079 -1.639 3.511 236 HA ARG 32 HA ARG 32 -5.484 -4.203 4.120 237 HB2 ARG 32 2HB ARG 32 -6.968 -2.264 5.921 238 HB3 ARG 32 3HB ARG 32 -6.309 -3.801 6.475 239 HG2 ARG 32 2HG ARG 32 -4.031 -2.976 5.714 240 HG3 ARG 32 3HG ARG 32 -4.772 -1.391 5.464 241 HD2 ARG 32 2HD ARG 32 -3.691 -1.451 7.644 242 HD3 ARG 32 3HD ARG 32 -5.443 -1.386 7.892 243 HE ARG 32 HE ARG 32 -3.963 -3.945 7.943 244 HH11 ARG 32 1HH1 ARG 32 -6.082 -1.713 9.653 245 HH12 ARG 32 2HH1 ARG 32 -6.384 -2.827 10.946 246 HH21 ARG 32 1HH2 ARG 32 -4.413 -5.387 9.620 247 HH22 ARG 32 2HH2 ARG 32 -5.442 -4.899 10.926 248 HA PRO 33 HA PRO 33 -10.301 -5.351 5.052 249 HB2 PRO 33 2HB PRO 33 -11.453 -3.573 2.877 250 HB3 PRO 33 3HB PRO 33 -12.184 -4.075 4.420 251 HG2 PRO 33 2HG PRO 33 -11.238 -1.619 4.145 252 HG3 PRO 33 3HG PRO 33 -10.964 -2.511 5.659 253 HD2 PRO 33 2HD PRO 33 -9.044 -1.984 3.406 254 HD3 PRO 33 3HD PRO 33 -8.756 -2.001 5.158 255 H THR 34 H THR 34 -9.457 -4.261 1.733 256 HA THR 34 HA THR 34 -10.565 -6.398 0.282 257 HB THR 34 HB THR 34 -8.157 -4.714 -0.557 258 HG1 THR 34 HG1 THR 34 -9.480 -3.099 -0.471 259 HG21 THR 34 3HG2 THR 34 -9.008 -5.030 -2.845 260 HG22 THR 34 1HG2 THR 34 -10.349 -6.012 -2.232 261 HG23 THR 34 2HG2 THR 34 -8.690 -6.595 -2.105 262 H VAL 35 H VAL 35 -7.266 -5.909 1.510 263 HA VAL 35 HA VAL 35 -6.126 -8.288 0.416 264 HB VAL 35 HB VAL 35 -5.073 -6.693 2.812 265 HG11 VAL 35 1HG1 VAL 35 -2.855 -7.484 2.071 266 HG12 VAL 35 2HG1 VAL 35 -3.603 -8.369 0.737 267 HG13 VAL 35 3HG1 VAL 35 -3.924 -8.845 2.404 268 HG21 VAL 35 3HG2 VAL 35 -5.520 -5.141 0.938 269 HG22 VAL 35 1HG2 VAL 35 -4.571 -6.158 -0.147 270 HG23 VAL 35 2HG2 VAL 35 -3.788 -5.323 1.197 271 H GLN 36 H GLN 36 -7.749 -7.517 3.434 272 HA GLN 36 HA GLN 36 -7.197 -10.002 4.778 273 HB2 GLN 36 2HB GLN 36 -9.161 -7.760 5.396 274 HB3 GLN 36 3HB GLN 36 -8.956 -9.179 6.424 275 HG2 GLN 36 2HG GLN 36 -6.661 -8.575 6.907 276 HG3 GLN 36 3HG GLN 36 -6.706 -7.261 5.735 277 HE21 GLN 36 1HE2 GLN 36 -6.157 -5.683 7.252 278 HE22 GLN 36 2HE2 GLN 36 -7.223 -5.165 8.506 279 H GLU 37 H GLU 37 -9.580 -8.939 2.458 280 HA GLU 37 HA GLU 37 -11.484 -11.047 2.782 281 HB2 GLU 37 2HB GLU 37 -10.723 -9.524 0.248 282 HB3 GLU 37 3HB GLU 37 -12.160 -10.520 0.436 283 HG2 GLU 37 2HG GLU 37 -11.582 -8.002 2.019 284 HG3 GLU 37 3HG GLU 37 -12.564 -8.055 0.565 285 H ASP 38 H ASP 38 -8.430 -10.678 1.067 286 HA ASP 38 HA ASP 38 -8.406 -13.320 -0.112 287 HB2 ASP 38 2HB ASP 38 -7.238 -11.474 -1.224 288 HB3 ASP 38 3HB ASP 38 -6.275 -11.158 0.216 289 H GLY 39 H GLY 39 -7.442 -11.872 2.908 290 HA2 GLY 39 2HA GLY 39 -7.335 -13.306 4.851 291 HA3 GLY 39 3HA GLY 39 -6.495 -14.516 3.893 292 H GLY 40 H GLY 40 -5.064 -11.877 2.761 293 HA2 GLY 40 2HA GLY 40 -2.783 -11.951 4.620 294 HA3 GLY 40 3HA GLY 40 -2.866 -11.129 3.063 295 H ASP 41 H ASP 41 -1.813 -9.363 4.315 296 HA ASP 41 HA ASP 41 -3.709 -7.316 4.913 297 HB2 ASP 41 2HB ASP 41 -3.704 -8.565 7.129 298 HB3 ASP 41 3HB ASP 41 -1.981 -8.226 7.277 299 H VAL 42 H VAL 42 -2.564 -5.233 5.461 300 HA VAL 42 HA VAL 42 0.240 -5.135 4.539 301 HB VAL 42 HB VAL 42 -0.167 -3.090 3.221 302 HG11 VAL 42 1HG1 VAL 42 -1.382 -4.053 1.309 303 HG12 VAL 42 2HG1 VAL 42 -2.053 -5.311 2.350 304 HG13 VAL 42 3HG1 VAL 42 -0.317 -5.256 2.045 305 HG21 VAL 42 3HG2 VAL 42 -2.431 -2.259 2.707 306 HG22 VAL 42 1HG2 VAL 42 -2.107 -2.161 4.439 307 HG23 VAL 42 2HG2 VAL 42 -3.133 -3.450 3.806 308 H ILE 43 H ILE 43 1.520 -3.962 5.804 309 HA ILE 43 HA ILE 43 0.377 -2.232 7.930 310 HB ILE 43 HB ILE 43 3.021 -3.796 8.000 311 HG12 ILE 43 2HG1 ILE 43 1.928 -5.007 10.013 312 HG13 ILE 43 3HG1 ILE 43 0.394 -4.350 9.461 313 HG21 ILE 43 1HG2 ILE 43 3.228 -3.029 10.344 314 HG22 ILE 43 2HG2 ILE 43 1.760 -2.065 10.155 315 HG23 ILE 43 3HG2 ILE 43 3.199 -1.676 9.212 316 HD11 ILE 43 3HD1 ILE 43 0.741 -6.659 8.776 317 HD12 ILE 43 1HD1 ILE 43 2.182 -6.185 7.877 318 HD13 ILE 43 2HD1 ILE 43 0.594 -5.584 7.388 319 H TYR 44 H TYR 44 0.992 -0.098 7.800 320 HA TYR 44 HA TYR 44 2.730 0.823 5.719 321 HB2 TYR 44 2HB TYR 44 0.810 2.212 6.529 322 HB3 TYR 44 3HB TYR 44 1.626 2.426 8.074 323 HD1 TYR 44 HD2 TYR 44 2.041 3.024 4.414 324 HD2 TYR 44 HD1 TYR 44 3.179 4.261 8.336 325 HE1 TYR 44 HE2 TYR 44 3.192 4.961 3.472 326 HE2 TYR 44 HE1 TYR 44 4.330 6.187 7.390 327 HH TYR 44 HH TYR 44 5.341 6.868 5.246 328 H LYS 45 H LYS 45 4.883 1.145 5.776 329 HA LYS 45 HA LYS 45 6.332 0.947 8.354 330 HB2 LYS 45 2HB LYS 45 7.176 0.089 5.559 331 HB3 LYS 45 3HB LYS 45 8.260 0.102 6.947 332 HG2 LYS 45 2HG LYS 45 5.690 -1.534 6.909 333 HG3 LYS 45 3HG LYS 45 7.224 -2.151 6.303 334 HD2 LYS 45 2HD LYS 45 7.222 -2.977 8.475 335 HD3 LYS 45 3HD LYS 45 8.166 -1.506 8.660 336 HE2 LYS 45 2HE LYS 45 5.884 -0.423 9.385 337 HE3 LYS 45 3HE LYS 45 5.345 -2.090 9.566 338 HZ1 LYS 45 3HZ LYS 45 7.074 -2.469 11.144 339 HZ2 LYS 45 1HZ LYS 45 6.175 -1.126 11.623 340 HZ3 LYS 45 2HZ LYS 45 7.705 -0.920 10.925 341 H GLY 46 H GLY 46 6.355 2.591 5.174 342 HA2 GLY 46 2HA GLY 46 7.260 5.042 6.304 343 HA3 GLY 46 3HA GLY 46 8.626 4.170 5.617 344 H PHE 47 H PHE 47 8.553 6.308 4.520 345 HA PHE 47 HA PHE 47 7.612 5.984 1.799 346 HB2 PHE 47 2HB PHE 47 5.644 7.051 2.834 347 HB3 PHE 47 3HB PHE 47 6.651 8.277 3.581 348 HD1 PHE 47 HD2 PHE 47 5.834 6.970 0.142 349 HD2 PHE 47 HD1 PHE 47 6.639 10.399 2.573 350 HE1 PHE 47 HE2 PHE 47 5.342 8.443 -1.762 351 HE2 PHE 47 HE1 PHE 47 6.142 11.857 0.664 352 HZ PHE 47 HZ PHE 47 5.493 10.888 -1.507 353 H GLU 48 H GLU 48 9.540 6.311 0.826 354 HA GLU 48 HA GLU 48 11.289 8.533 1.642 355 HB2 GLU 48 2HB GLU 48 12.286 5.677 1.180 356 HB3 GLU 48 3HB GLU 48 13.282 7.089 1.533 357 HG2 GLU 48 2HG GLU 48 12.146 7.260 3.758 358 HG3 GLU 48 3HG GLU 48 11.302 5.752 3.404 359 H ASP 49 H ASP 49 11.777 9.695 -0.110 360 HA ASP 49 HA ASP 49 12.204 10.406 -2.207 361 HB2 ASP 49 2HB ASP 49 13.098 7.530 -2.727 362 HB3 ASP 49 3HB ASP 49 13.531 8.928 -3.708 363 H GLY 50 H GLY 50 9.566 9.448 -1.560 364 HA2 GLY 50 2HA GLY 50 7.574 9.551 -2.753 365 HA3 GLY 50 3HA GLY 50 8.454 9.301 -4.252 366 H ILE 51 H ILE 51 9.430 6.962 -2.069 367 HA ILE 51 HA ILE 51 7.655 4.938 -3.291 368 HB ILE 51 HB ILE 51 10.378 4.575 -1.957 369 HG12 ILE 51 2HG1 ILE 51 10.563 5.755 -4.142 370 HG13 ILE 51 3HG1 ILE 51 11.262 4.145 -4.229 371 HG21 ILE 51 1HG2 ILE 51 10.285 2.262 -2.860 372 HG22 ILE 51 2HG2 ILE 51 8.636 2.558 -3.418 373 HG23 ILE 51 3HG2 ILE 51 8.999 2.573 -1.691 374 HD11 ILE 51 3HD1 ILE 51 9.264 3.350 -5.406 375 HD12 ILE 51 1HD1 ILE 51 10.049 4.692 -6.232 376 HD13 ILE 51 2HD1 ILE 51 8.571 4.975 -5.316 377 H VAL 52 H VAL 52 6.071 4.250 -2.029 378 HA VAL 52 HA VAL 52 6.045 4.570 0.855 379 HB VAL 52 HB VAL 52 3.970 3.241 -0.952 380 HG11 VAL 52 1HG1 VAL 52 3.729 4.289 1.893 381 HG12 VAL 52 2HG1 VAL 52 3.727 2.593 1.407 382 HG13 VAL 52 3HG1 VAL 52 2.397 3.645 0.923 383 HG21 VAL 52 3HG2 VAL 52 4.301 5.602 -1.613 384 HG22 VAL 52 1HG2 VAL 52 4.028 6.111 0.056 385 HG23 VAL 52 2HG2 VAL 52 2.721 5.365 -0.866 386 H GLN 53 H GLN 53 7.078 3.076 2.070 387 HA GLN 53 HA GLN 53 7.557 0.359 1.117 388 HB2 GLN 53 2HB GLN 53 8.499 1.905 3.565 389 HB3 GLN 53 3HB GLN 53 8.911 0.213 3.275 390 HG2 GLN 53 2HG GLN 53 10.148 0.766 1.289 391 HG3 GLN 53 3HG GLN 53 9.549 2.424 1.303 392 HE21 GLN 53 1HE2 GLN 53 11.712 3.114 1.191 393 HE22 GLN 53 2HE2 GLN 53 12.729 3.130 2.588 394 H LEU 54 H LEU 54 6.204 -1.252 1.595 395 HA LEU 54 HA LEU 54 4.466 -1.088 3.999 396 HB2 LEU 54 2HB LEU 54 3.725 -2.146 1.245 397 HB3 LEU 54 3HB LEU 54 2.703 -2.249 2.674 398 HG LEU 54 HG LEU 54 3.522 0.297 1.214 399 HD11 LEU 54 1HD1 LEU 54 1.823 -0.992 0.048 400 HD12 LEU 54 2HD1 LEU 54 1.153 0.501 0.694 401 HD13 LEU 54 3HD1 LEU 54 0.823 -1.034 1.505 402 HD21 LEU 54 3HD2 LEU 54 2.048 1.482 2.787 403 HD22 LEU 54 1HD2 LEU 54 3.423 0.748 3.604 404 HD23 LEU 54 2HD2 LEU 54 1.829 -0.007 3.714 405 H LYS 55 H LYS 55 4.409 -2.844 5.218 406 HA LYS 55 HA LYS 55 5.895 -5.241 4.546 407 HB2 LYS 55 2HB LYS 55 6.146 -4.403 6.812 408 HB3 LYS 55 3HB LYS 55 4.402 -4.335 7.036 409 HG2 LYS 55 2HG LYS 55 4.341 -6.835 6.842 410 HG3 LYS 55 3HG LYS 55 6.111 -6.831 6.807 411 HD2 LYS 55 2HD LYS 55 6.216 -5.911 9.048 412 HD3 LYS 55 3HD LYS 55 4.469 -5.631 9.078 413 HE2 LYS 55 2HE LYS 55 4.060 -8.049 9.017 414 HE3 LYS 55 3HE LYS 55 5.792 -8.358 8.902 415 HZ1 LYS 55 3HZ LYS 55 6.027 -7.254 11.077 416 HZ2 LYS 55 1HZ LYS 55 5.108 -8.672 11.129 417 HZ3 LYS 55 2HZ LYS 55 4.340 -7.169 11.185 418 H LEU 56 H LEU 56 4.860 -6.658 3.256 419 HA LEU 56 HA LEU 56 1.927 -6.923 3.332 420 HB2 LEU 56 2HB LEU 56 3.884 -8.406 1.528 421 HB3 LEU 56 3HB LEU 56 2.143 -8.260 1.321 422 HG LEU 56 HG LEU 56 4.207 -6.045 0.979 423 HD11 LEU 56 1HD1 LEU 56 4.183 -7.619 -0.876 424 HD12 LEU 56 2HD1 LEU 56 3.532 -6.060 -1.369 425 HD13 LEU 56 3HD1 LEU 56 2.438 -7.413 -1.064 426 HD21 LEU 56 3HD2 LEU 56 2.179 -5.089 1.937 427 HD22 LEU 56 1HD2 LEU 56 1.192 -5.862 0.692 428 HD23 LEU 56 2HD2 LEU 56 2.353 -4.604 0.254 429 H GLN 57 H GLN 57 0.915 -8.868 3.903 430 HA GLN 57 HA GLN 57 2.456 -10.696 5.632 431 HB2 GLN 57 2HB GLN 57 -0.513 -10.118 5.281 432 HB3 GLN 57 3HB GLN 57 0.049 -11.498 6.220 433 HG2 GLN 57 2HG GLN 57 0.790 -8.614 6.811 434 HG3 GLN 57 3HG GLN 57 -0.531 -9.490 7.585 435 HE21 GLN 57 1HE2 GLN 57 1.849 -8.328 8.804 436 HE22 GLN 57 2HE2 GLN 57 2.643 -9.617 9.629 437 H GLY 58 H GLY 58 1.552 -13.090 5.589 438 HA2 GLY 58 2HA GLY 58 1.988 -14.339 3.091 439 HA3 GLY 58 3HA GLY 58 1.243 -15.085 4.499 440 H SER 59 H SER 59 0.358 -15.828 2.042 441 HA SER 59 HA SER 59 -1.475 -16.216 0.804 442 HB2 SER 59 2HB SER 59 -2.894 -15.926 2.845 443 HB3 SER 59 3HB SER 59 -2.982 -14.197 2.531 444 HG SER 59 HG SER 59 -4.339 -14.538 0.901 445 H CYS 60 H CYS 60 -1.330 -12.684 1.542 446 HA CYS 60 HA CYS 60 -1.914 -11.929 -1.162 447 HB2 CYS 60 2HB CYS 60 -1.481 -9.630 -0.366 448 HB3 CYS 60 3HB CYS 60 -2.583 -10.503 0.688 449 HG CYS 60 HG CYS 60 0.733 -10.264 1.452 450 H THR 61 H THR 61 0.900 -13.142 0.203 451 HA THR 61 HA THR 61 2.650 -11.908 -1.851 452 HB THR 61 HB THR 61 4.505 -12.946 -0.410 453 HG1 THR 61 HG1 THR 61 3.123 -14.401 0.740 454 HG21 THR 61 3HG2 THR 61 4.442 -11.153 1.296 455 HG22 THR 61 1HG2 THR 61 2.757 -10.832 0.914 456 HG23 THR 61 2HG2 THR 61 4.007 -10.519 -0.296 457 H SER 62 H SER 62 0.671 -14.450 -1.753 458 HA SER 62 HA SER 62 2.336 -16.683 -2.374 459 HB2 SER 62 2HB SER 62 -0.616 -16.250 -2.995 460 HB3 SER 62 3HB SER 62 0.239 -17.793 -3.075 461 HG SER 62 HG SER 62 -0.771 -17.660 -1.105 462 H CYS 63 H CYS 63 3.713 -16.513 -4.060 463 HA CYS 63 HA CYS 63 4.518 -16.607 -6.158 464 HB2 CYS 63 2HB CYS 63 1.622 -16.345 -7.066 465 HB3 CYS 63 3HB CYS 63 2.974 -16.638 -8.162 466 HG CYS 63 HG CYS 63 2.822 -18.824 -5.642 467 HA PRO 64 HA PRO 64 5.656 -12.419 -6.816 468 HB2 PRO 64 2HB PRO 64 6.460 -12.396 -9.500 469 HB3 PRO 64 3HB PRO 64 7.426 -13.079 -8.174 470 HG2 PRO 64 2HG PRO 64 5.594 -14.495 -10.097 471 HG3 PRO 64 3HG PRO 64 7.231 -14.950 -9.560 472 HD2 PRO 64 2HD PRO 64 5.083 -16.139 -8.484 473 HD3 PRO 64 3HD PRO 64 6.476 -15.717 -7.463 474 H SER 65 H SER 65 3.541 -13.645 -9.435 475 HA SER 65 HA SER 65 2.729 -11.263 -10.596 476 HB2 SER 65 2HB SER 65 1.059 -13.774 -10.241 477 HB3 SER 65 3HB SER 65 0.803 -12.518 -11.453 478 HG SER 65 HG SER 65 2.277 -13.409 -12.638 479 H SER 66 H SER 66 1.370 -12.933 -7.745 480 HA SER 66 HA SER 66 -0.883 -11.254 -7.361 481 HB2 SER 66 2HB SER 66 0.621 -12.964 -5.339 482 HB3 SER 66 3HB SER 66 -1.019 -12.324 -5.152 483 HG SER 66 HG SER 66 -0.096 -14.462 -6.660 484 H ILE 67 H ILE 67 2.448 -11.203 -6.047 485 HA ILE 67 HA ILE 67 2.125 -9.066 -4.220 486 HB ILE 67 HB ILE 67 4.679 -9.839 -5.711 487 HG12 ILE 67 2HG1 ILE 67 3.630 -10.969 -3.066 488 HG13 ILE 67 3HG1 ILE 67 3.650 -11.828 -4.601 489 HG21 ILE 67 1HG2 ILE 67 4.291 -8.446 -3.033 490 HG22 ILE 67 2HG2 ILE 67 4.839 -7.692 -4.532 491 HG23 ILE 67 3HG2 ILE 67 5.845 -8.904 -3.741 492 HD11 ILE 67 3HD1 ILE 67 6.100 -11.782 -4.603 493 HD12 ILE 67 1HD1 ILE 67 5.459 -12.549 -3.151 494 HD13 ILE 67 2HD1 ILE 67 6.091 -10.906 -3.069 495 H ILE 68 H ILE 68 3.042 -9.178 -7.649 496 HA ILE 68 HA ILE 68 3.693 -6.461 -8.051 497 HB ILE 68 HB ILE 68 2.636 -8.505 -10.069 498 HG12 ILE 68 2HG1 ILE 68 5.538 -7.672 -9.554 499 HG13 ILE 68 3HG1 ILE 68 4.803 -9.127 -8.895 500 HG21 ILE 68 1HG2 ILE 68 3.639 -7.050 -11.822 501 HG22 ILE 68 2HG2 ILE 68 4.046 -5.853 -10.589 502 HG23 ILE 68 3HG2 ILE 68 2.357 -6.225 -10.941 503 HD11 ILE 68 3HD1 ILE 68 6.168 -9.629 -10.829 504 HD12 ILE 68 1HD1 ILE 68 5.219 -8.532 -11.831 505 HD13 ILE 68 2HD1 ILE 68 4.478 -9.994 -11.169 506 H THR 69 H THR 69 0.658 -8.285 -8.606 507 HA THR 69 HA THR 69 -0.910 -6.159 -9.590 508 HB THR 69 HB THR 69 -1.859 -8.700 -8.180 509 HG1 THR 69 HG1 THR 69 -0.509 -8.744 -10.245 510 HG21 THR 69 3HG2 THR 69 -3.976 -8.377 -9.432 511 HG22 THR 69 1HG2 THR 69 -3.364 -6.837 -10.057 512 HG23 THR 69 2HG2 THR 69 -3.679 -7.029 -8.333 513 H LEU 70 H LEU 70 -0.380 -7.378 -6.289 514 HA LEU 70 HA LEU 70 -2.367 -5.822 -4.990 515 HB2 LEU 70 2HB LEU 70 -1.385 -7.831 -3.939 516 HB3 LEU 70 3HB LEU 70 0.187 -7.048 -3.879 517 HG LEU 70 HG LEU 70 -0.742 -5.337 -2.287 518 HD11 LEU 70 1HD1 LEU 70 -2.913 -5.683 -1.222 519 HD12 LEU 70 2HD1 LEU 70 -3.249 -7.036 -2.306 520 HD13 LEU 70 3HD1 LEU 70 -3.085 -5.400 -2.951 521 HD21 LEU 70 3HD2 LEU 70 0.438 -7.273 -1.400 522 HD22 LEU 70 1HD2 LEU 70 -1.061 -8.207 -1.374 523 HD23 LEU 70 2HD2 LEU 70 -0.871 -6.801 -0.321 524 H LYS 71 H LYS 71 1.178 -5.485 -5.130 525 HA LYS 71 HA LYS 71 1.458 -3.063 -3.802 526 HB2 LYS 71 2HB LYS 71 3.358 -4.486 -4.066 527 HB3 LYS 71 3HB LYS 71 3.203 -4.527 -5.810 528 HG2 LYS 71 2HG LYS 71 3.820 -1.894 -4.493 529 HG3 LYS 71 3HG LYS 71 5.104 -3.100 -4.583 530 HD2 LYS 71 2HD LYS 71 3.549 -1.996 -6.963 531 HD3 LYS 71 3HD LYS 71 5.162 -1.479 -6.465 532 HE2 LYS 71 2HE LYS 71 4.473 -4.323 -7.290 533 HE3 LYS 71 3HE LYS 71 5.130 -3.095 -8.379 534 HZ1 LYS 71 3HZ LYS 71 6.461 -4.062 -5.904 535 HZ2 LYS 71 1HZ LYS 71 7.085 -2.924 -6.990 536 HZ3 LYS 71 2HZ LYS 71 6.863 -4.529 -7.474 537 H ASN 72 H ASN 72 0.952 -3.691 -7.255 538 HA ASN 72 HA ASN 72 1.200 -0.957 -8.077 539 HB2 ASN 72 2HB ASN 72 0.244 -3.457 -9.486 540 HB3 ASN 72 3HB ASN 72 0.112 -1.889 -10.268 541 HD21 ASN 72 1HD2 ASN 72 1.612 -4.084 -11.193 542 HD22 ASN 72 2HD2 ASN 72 3.275 -3.627 -11.225 543 H GLY 73 H GLY 73 -1.540 -3.013 -7.205 544 HA2 GLY 73 2HA GLY 73 -3.634 -1.253 -7.887 545 HA3 GLY 73 3HA GLY 73 -3.687 -2.487 -6.631 546 H ILE 74 H ILE 74 -1.789 -1.668 -4.893 547 HA ILE 74 HA ILE 74 -2.960 0.379 -3.354 548 HB ILE 74 HB ILE 74 -0.117 -0.751 -3.168 549 HG12 ILE 74 2HG1 ILE 74 -2.605 -1.638 -1.620 550 HG13 ILE 74 3HG1 ILE 74 -1.907 -2.509 -2.980 551 HG21 ILE 74 1HG2 ILE 74 -1.747 0.781 -1.098 552 HG22 ILE 74 2HG2 ILE 74 -0.311 1.360 -1.944 553 HG23 ILE 74 3HG2 ILE 74 -0.178 0.026 -0.807 554 HD11 ILE 74 3HD1 ILE 74 -0.558 -2.014 -0.319 555 HD12 ILE 74 1HD1 ILE 74 0.162 -2.857 -1.695 556 HD13 ILE 74 2HD1 ILE 74 -1.252 -3.532 -0.888 557 H GLN 75 H GLN 75 -0.169 0.262 -5.514 558 HA GLN 75 HA GLN 75 0.988 2.755 -5.023 559 HB2 GLN 75 2HB GLN 75 2.085 0.894 -6.257 560 HB3 GLN 75 3HB GLN 75 0.990 1.155 -7.610 561 HG2 GLN 75 2HG GLN 75 1.942 3.414 -7.939 562 HG3 GLN 75 3HG GLN 75 3.028 3.150 -6.576 563 HE21 GLN 75 1HE2 GLN 75 3.616 0.357 -7.298 564 HE22 GLN 75 2HE2 GLN 75 4.659 0.451 -8.668 565 H ASN 76 H ASN 76 -1.167 1.787 -7.700 566 HA ASN 76 HA ASN 76 -1.430 4.350 -8.826 567 HB2 ASN 76 2HB ASN 76 -3.266 1.941 -9.111 568 HB3 ASN 76 3HB ASN 76 -3.285 3.359 -10.157 569 HD21 ASN 76 1HD2 ASN 76 -2.853 0.610 -10.864 570 HD22 ASN 76 2HD2 ASN 76 -1.293 0.508 -11.591 571 H MET 77 H MET 77 -3.283 2.684 -6.299 572 HA MET 77 HA MET 77 -5.429 4.553 -6.129 573 HB2 MET 77 2HB MET 77 -5.420 2.231 -5.135 574 HB3 MET 77 3HB MET 77 -4.296 2.797 -3.907 575 HG2 MET 77 2HG MET 77 -7.036 4.034 -4.283 576 HG3 MET 77 3HG MET 77 -6.761 2.646 -3.237 577 HE1 MET 77 3HE MET 77 -4.417 4.149 -0.488 578 HE2 MET 77 1HE MET 77 -3.911 3.302 -1.952 579 HE3 MET 77 2HE MET 77 -5.300 2.723 -1.028 580 H LEU 78 H LEU 78 -2.291 4.334 -4.392 581 HA LEU 78 HA LEU 78 -2.605 6.693 -2.827 582 HB2 LEU 78 2HB LEU 78 -0.165 5.069 -3.610 583 HB3 LEU 78 3HB LEU 78 -0.072 6.452 -2.527 584 HG LEU 78 HG LEU 78 -1.662 3.907 -1.984 585 HD11 LEU 78 1HD1 LEU 78 0.956 4.841 -0.786 586 HD12 LEU 78 2HD1 LEU 78 0.736 3.482 -1.895 587 HD13 LEU 78 3HD1 LEU 78 0.027 3.422 -0.283 588 HD21 LEU 78 3HD2 LEU 78 -1.960 4.808 0.280 589 HD22 LEU 78 1HD2 LEU 78 -2.686 5.867 -0.927 590 HD23 LEU 78 2HD2 LEU 78 -1.138 6.300 -0.192 591 H GLN 79 H GLN 79 -1.498 6.117 -6.096 592 HA GLN 79 HA GLN 79 -0.274 8.716 -6.482 593 HB2 GLN 79 2HB GLN 79 -0.996 6.522 -8.469 594 HB3 GLN 79 3HB GLN 79 -0.166 8.016 -8.909 595 HG2 GLN 79 2HG GLN 79 1.698 7.422 -7.437 596 HG3 GLN 79 3HG GLN 79 0.876 5.939 -6.967 597 HE21 GLN 79 1HE2 GLN 79 3.490 6.266 -8.198 598 HE22 GLN 79 2HE2 GLN 79 3.453 5.358 -9.667 599 H PHE 80 H PHE 80 -3.404 7.240 -6.860 600 HA PHE 80 HA PHE 80 -4.676 9.151 -8.529 601 HB2 PHE 80 2HB PHE 80 -5.631 6.917 -8.197 602 HB3 PHE 80 3HB PHE 80 -5.774 7.190 -6.468 603 HD1 PHE 80 HD1 PHE 80 -7.069 8.411 -9.769 604 HD2 PHE 80 HD2 PHE 80 -7.818 8.051 -5.563 605 HE1 PHE 80 HE1 PHE 80 -9.370 9.214 -10.095 606 HE2 PHE 80 HE2 PHE 80 -10.106 8.855 -5.909 607 HZ PHE 80 HZ PHE 80 -10.887 9.440 -8.167 608 H TYR 81 H TYR 81 -4.104 8.965 -5.048 609 HA TYR 81 HA TYR 81 -5.577 11.458 -4.538 610 HB2 TYR 81 2HB TYR 81 -4.235 9.464 -2.663 611 HB3 TYR 81 3HB TYR 81 -5.012 10.949 -2.116 612 HD1 TYR 81 HD1 TYR 81 -7.499 11.233 -2.401 613 HD2 TYR 81 HD2 TYR 81 -5.578 7.507 -3.218 614 HE1 TYR 81 HE1 TYR 81 -9.664 10.093 -2.293 615 HE2 TYR 81 HE2 TYR 81 -7.742 6.361 -3.120 616 HH TYR 81 HH TYR 81 -10.722 8.053 -3.116 617 H ILE 82 H ILE 82 -2.249 10.220 -4.583 618 HA ILE 82 HA ILE 82 -1.195 12.905 -3.879 619 HB ILE 82 HB ILE 82 0.037 10.262 -2.982 620 HG12 ILE 82 2HG1 ILE 82 -1.560 12.219 -1.249 621 HG13 ILE 82 3HG1 ILE 82 -2.175 10.678 -1.847 622 HG21 ILE 82 1HG2 ILE 82 0.683 13.132 -2.197 623 HG22 ILE 82 2HG2 ILE 82 1.658 12.078 -3.222 624 HG23 ILE 82 3HG2 ILE 82 1.443 11.688 -1.518 625 HD11 ILE 82 3HD1 ILE 82 -0.355 9.534 -0.608 626 HD12 ILE 82 1HD1 ILE 82 -1.488 10.416 0.411 627 HD13 ILE 82 2HD1 ILE 82 0.097 11.098 0.078 628 HA PRO 83 HA PRO 83 1.029 11.939 -7.782 629 HB2 PRO 83 2HB PRO 83 1.942 14.465 -8.300 630 HB3 PRO 83 3HB PRO 83 0.237 14.017 -8.546 631 HG2 PRO 83 2HG PRO 83 1.481 15.466 -6.212 632 HG3 PRO 83 3HG PRO 83 -0.014 15.841 -7.102 633 HD2 PRO 83 2HD PRO 83 -0.027 14.499 -4.716 634 HD3 PRO 83 3HD PRO 83 -1.261 14.242 -5.966 635 H GLU 84 H GLU 84 2.212 12.896 -4.730 636 HA GLU 84 HA GLU 84 5.015 13.068 -5.362 637 HB2 GLU 84 2HB GLU 84 3.767 12.600 -2.621 638 HB3 GLU 84 3HB GLU 84 5.386 13.216 -2.964 639 HG2 GLU 84 2HG GLU 84 2.740 14.626 -3.470 640 HG3 GLU 84 3HG GLU 84 3.947 15.043 -2.256 641 H VAL 85 H VAL 85 2.803 10.475 -4.561 642 HA VAL 85 HA VAL 85 4.761 8.489 -3.876 643 HB VAL 85 HB VAL 85 1.891 8.158 -4.879 644 HG11 VAL 85 1HG1 VAL 85 2.016 5.855 -3.941 645 HG12 VAL 85 2HG1 VAL 85 3.728 6.099 -3.577 646 HG13 VAL 85 3HG1 VAL 85 3.172 6.085 -5.253 647 HG21 VAL 85 3HG2 VAL 85 2.990 8.104 -2.034 648 HG22 VAL 85 1HG2 VAL 85 1.321 7.750 -2.499 649 HG23 VAL 85 2HG2 VAL 85 1.976 9.370 -2.735 650 H GLU 86 H GLU 86 6.349 8.420 -5.449 651 HA GLU 86 HA GLU 86 5.871 8.058 -8.251 652 HB2 GLU 86 2HB GLU 86 8.296 7.885 -6.455 653 HB3 GLU 86 3HB GLU 86 8.408 7.239 -8.092 654 HG2 GLU 86 2HG GLU 86 7.634 10.102 -7.398 655 HG3 GLU 86 3HG GLU 86 9.243 9.580 -7.907 656 H GLY 87 H GLY 87 6.116 5.921 -5.484 657 HA2 GLY 87 2HA GLY 87 5.028 3.718 -6.908 658 HA3 GLY 87 3HA GLY 87 6.758 3.494 -6.680 659 H VAL 88 H VAL 88 5.528 1.612 -5.669 660 HA VAL 88 HA VAL 88 5.599 1.982 -2.737 661 HB VAL 88 HB VAL 88 3.576 0.271 -4.287 662 HG11 VAL 88 1HG1 VAL 88 4.355 -1.019 -2.330 663 HG12 VAL 88 2HG1 VAL 88 2.692 -0.485 -2.081 664 HG13 VAL 88 3HG1 VAL 88 4.018 0.353 -1.267 665 HG21 VAL 88 3HG2 VAL 88 1.858 1.617 -3.128 666 HG22 VAL 88 1HG2 VAL 88 2.928 2.645 -4.081 667 HG23 VAL 88 2HG2 VAL 88 3.118 2.559 -2.331 668 H GLU 89 H GLU 89 6.786 0.360 -1.702 669 HA GLU 89 HA GLU 89 7.938 -1.792 -3.380 670 HB2 GLU 89 2HB GLU 89 9.540 0.131 -2.875 671 HB3 GLU 89 3HB GLU 89 9.460 -0.324 -1.176 672 HG2 GLU 89 2HG GLU 89 10.412 -2.519 -1.693 673 HG3 GLU 89 3HG GLU 89 10.391 -2.150 -3.419 674 H GLN 90 H GLN 90 8.253 -3.759 -2.404 675 HA GLN 90 HA GLN 90 6.706 -4.365 -0.022 676 HB2 GLN 90 2HB GLN 90 6.609 -5.876 -1.973 677 HB3 GLN 90 3HB GLN 90 8.345 -6.153 -1.879 678 HG2 GLN 90 2HG GLN 90 8.006 -7.194 0.376 679 HG3 GLN 90 3HG GLN 90 6.267 -6.995 0.174 680 HE21 GLN 90 1HE2 GLN 90 5.838 -9.194 0.270 681 HE22 GLN 90 2HE2 GLN 90 6.310 -10.313 -0.959 682 H VAL 91 H VAL 91 7.580 -4.407 1.955 683 HA VAL 91 HA VAL 91 10.363 -5.314 2.360 684 HB VAL 91 HB VAL 91 10.535 -3.780 4.359 685 HG11 VAL 91 1HG1 VAL 91 10.967 -1.682 3.131 686 HG12 VAL 91 2HG1 VAL 91 10.070 -2.304 1.743 687 HG13 VAL 91 3HG1 VAL 91 11.573 -3.082 2.243 688 HG21 VAL 91 3HG2 VAL 91 7.992 -2.502 3.279 689 HG22 VAL 91 1HG2 VAL 91 8.977 -1.872 4.603 690 HG23 VAL 91 2HG2 VAL 91 8.129 -3.408 4.788 691 H MET 92 H MET 92 10.644 -6.279 4.551 692 HA MET 92 HA MET 92 8.148 -7.227 5.846 693 HB2 MET 92 2HB MET 92 10.633 -8.933 5.318 694 HB3 MET 92 3HB MET 92 9.257 -9.431 6.298 695 HG2 MET 92 2HG MET 92 7.827 -9.132 4.218 696 HG3 MET 92 3HG MET 92 9.331 -8.952 3.316 697 HE1 MET 92 3HE MET 92 8.360 -11.399 6.353 698 HE2 MET 92 1HE MET 92 7.963 -12.842 5.420 699 HE3 MET 92 2HE MET 92 6.964 -11.397 5.274 700 H ASP 93 H ASP 93 8.268 -7.373 8.075 701 HA ASP 93 HA ASP 93 10.587 -6.260 9.473 702 HB2 ASP 93 2HB ASP 93 9.663 -4.176 8.931 703 HB3 ASP 93 3HB ASP 93 8.020 -4.787 8.881 704 H ASP 94 H ASP 94 10.604 -6.623 11.624 705 HA ASP 94 HA ASP 94 8.442 -7.091 13.330 706 HB2 ASP 94 2HB ASP 94 8.252 -9.317 12.219 707 HB3 ASP 94 3HB ASP 94 9.941 -9.651 12.568 708 H GLU 95 H GLU 95 11.424 -8.986 13.547 709 HA GLU 95 HA GLU 95 12.729 -6.936 15.220 710 HB2 GLU 95 2HB GLU 95 13.401 -9.862 14.663 711 HB3 GLU 95 3HB GLU 95 14.394 -8.792 15.651 712 HG2 GLU 95 2HG GLU 95 11.533 -9.627 16.271 713 HG3 GLU 95 3HG GLU 95 12.987 -10.299 17.009 714 H SER 96 H SER 96 12.748 -8.497 12.130 715 HA SER 96 HA SER 96 15.412 -7.940 11.302 716 HB2 SER 96 2HB SER 96 14.012 -9.742 10.333 717 HB3 SER 96 3HB SER 96 12.932 -8.532 9.639 718 HG SER 96 HG SER 96 14.751 -7.767 8.430 719 H ASP 97 H ASP 97 16.142 -5.934 11.092 720 HA ASP 97 HA ASP 97 14.466 -3.648 10.647 721 HB2 ASP 97 2HB ASP 97 16.389 -3.458 12.131 722 HB3 ASP 97 3HB ASP 97 17.496 -3.949 10.853 Start of MODEL 20 1 H1 MET 1 1H MET 1 -10.970 22.805 -8.120 2 H2 MET 1 2H MET 1 -11.167 23.958 -6.903 3 H3 MET 1 3H MET 1 -11.864 22.426 -6.734 4 HA MET 1 HA MET 1 -9.906 22.651 -5.369 5 HB2 MET 1 2HB MET 1 -8.683 20.614 -6.170 6 HB3 MET 1 3HB MET 1 -10.427 20.395 -6.198 7 HG2 MET 1 2HG MET 1 -10.489 20.668 -8.589 8 HG3 MET 1 3HG MET 1 -8.787 21.120 -8.635 9 HE1 MET 1 3HE MET 1 -7.321 19.051 -6.777 10 HE2 MET 1 1HE MET 1 -6.798 19.477 -8.408 11 HE3 MET 1 2HE MET 1 -6.957 17.782 -7.946 12 H GLY 2 H GLY 2 -9.355 23.420 -8.789 13 HA2 GLY 2 2HA GLY 2 -6.531 24.155 -8.220 14 HA3 GLY 2 3HA GLY 2 -7.110 23.500 -9.742 15 H HIS 3 H HIS 3 -8.832 25.978 -7.948 16 HA HIS 3 HA HIS 3 -7.797 28.123 -9.718 17 HB2 HIS 3 2HB HIS 3 -10.679 27.699 -8.822 18 HB3 HIS 3 3HB HIS 3 -10.096 29.237 -9.444 19 HD1 HIS 3 HD1 HIS 3 -12.358 27.451 -10.779 20 HD2 HIS 3 HD2 HIS 3 -8.391 27.701 -11.988 21 HE1 HIS 3 HE1 HIS 3 -12.348 26.826 -13.213 22 HE2 HIS 3 HE2 HIS 3 -9.933 26.938 -13.903 23 H HIS 4 H HIS 4 -6.242 28.498 -8.064 24 HA HIS 4 HA HIS 4 -7.085 29.242 -5.392 25 HB2 HIS 4 2HB HIS 4 -4.592 29.784 -5.077 26 HB3 HIS 4 3HB HIS 4 -5.034 28.116 -5.377 27 HD1 HIS 4 HD1 HIS 4 -3.361 27.003 -6.799 28 HD2 HIS 4 HD2 HIS 4 -3.709 31.005 -7.815 29 HE1 HIS 4 HE1 HIS 4 -1.662 27.390 -8.592 30 HE2 HIS 4 HE2 HIS 4 -2.060 29.753 -9.344 31 H HIS 5 H HIS 5 -8.405 30.957 -5.584 32 HA HIS 5 HA HIS 5 -8.002 33.261 -7.153 33 HB2 HIS 5 2HB HIS 5 -9.904 34.232 -5.800 34 HB3 HIS 5 3HB HIS 5 -10.245 32.661 -6.512 35 HD1 HIS 5 HD1 HIS 5 -10.366 30.586 -4.857 36 HD2 HIS 5 HD2 HIS 5 -10.036 34.298 -2.997 37 HE1 HIS 5 HE1 HIS 5 -10.962 30.209 -2.458 38 HE2 HIS 5 HE2 HIS 5 -10.597 32.421 -1.326 39 H HIS 6 H HIS 6 -6.266 34.494 -6.913 40 HA HIS 6 HA HIS 6 -4.817 36.045 -6.175 41 HB2 HIS 6 2HB HIS 6 -6.372 36.131 -3.549 42 HB3 HIS 6 3HB HIS 6 -5.132 37.281 -4.041 43 HD1 HIS 6 HD1 HIS 6 -5.776 39.022 -5.864 44 HD2 HIS 6 HD2 HIS 6 -8.886 36.510 -4.729 45 HE1 HIS 6 HE1 HIS 6 -7.866 40.066 -6.776 46 HE2 HIS 6 HE2 HIS 6 -9.729 38.531 -6.070 47 H HIS 7 H HIS 7 -5.525 34.105 -3.254 48 HA HIS 7 HA HIS 7 -3.133 33.681 -2.082 49 HB2 HIS 7 2HB HIS 7 -5.271 32.800 -1.228 50 HB3 HIS 7 3HB HIS 7 -5.338 31.619 -2.532 51 HD1 HIS 7 HD1 HIS 7 -3.765 32.304 0.766 52 HD2 HIS 7 HD2 HIS 7 -3.647 29.369 -2.160 53 HE1 HIS 7 HE1 HIS 7 -2.631 30.345 1.823 54 HE2 HIS 7 HE2 HIS 7 -2.722 28.525 0.089 55 H HIS 8 H HIS 8 -1.236 33.116 -2.906 56 HA HIS 8 HA HIS 8 -0.943 31.184 -5.094 57 HB2 HIS 8 2HB HIS 8 1.113 32.967 -3.698 58 HB3 HIS 8 3HB HIS 8 1.422 31.968 -5.116 59 HD1 HIS 8 HD1 HIS 8 0.315 35.289 -4.116 60 HD2 HIS 8 HD2 HIS 8 -0.049 32.876 -7.479 61 HE1 HIS 8 HE1 HIS 8 -0.442 36.807 -5.961 62 HE2 HIS 8 HE2 HIS 8 -0.484 35.357 -8.013 63 H SER 9 H SER 9 -0.711 29.101 -4.516 64 HA SER 9 HA SER 9 -0.473 28.285 -1.797 65 HB2 SER 9 2HB SER 9 -0.527 25.947 -2.847 66 HB3 SER 9 3HB SER 9 -1.889 26.993 -3.248 67 HG SER 9 HG SER 9 0.387 26.465 -4.870 68 H HIS 10 H HIS 10 1.501 28.865 -0.935 69 HA HIS 10 HA HIS 10 3.810 27.248 -1.747 70 HB2 HIS 10 2HB HIS 10 5.346 29.267 -1.454 71 HB3 HIS 10 3HB HIS 10 4.359 29.265 -2.900 72 HD1 HIS 10 HD1 HIS 10 3.311 31.432 -3.406 73 HD2 HIS 10 HD2 HIS 10 4.105 31.080 0.654 74 HE1 HIS 10 HE1 HIS 10 2.744 33.657 -2.403 75 HE2 HIS 10 HE2 HIS 10 3.381 33.461 0.021 76 H MET 11 H MET 11 2.758 26.164 0.163 77 HA MET 11 HA MET 11 3.333 27.248 2.792 78 HB2 MET 11 2HB MET 11 2.512 24.443 1.912 79 HB3 MET 11 3HB MET 11 2.680 24.940 3.596 80 HG2 MET 11 2HG MET 11 0.919 26.649 3.241 81 HG3 MET 11 3HG MET 11 0.713 26.071 1.584 82 HE1 MET 11 3HE MET 11 0.965 22.868 1.945 83 HE2 MET 11 1HE MET 11 -0.280 23.648 0.974 84 HE3 MET 11 2HE MET 11 -0.729 22.452 2.193 85 H GLY 12 H GLY 12 4.828 26.227 4.315 86 HA2 GLY 12 2HA GLY 12 7.446 25.765 3.153 87 HA3 GLY 12 3HA GLY 12 7.049 25.904 4.860 88 H SER 13 H SER 13 6.302 23.708 2.165 89 HA SER 13 HA SER 13 7.188 21.358 3.613 90 HB2 SER 13 2HB SER 13 4.252 21.705 2.835 91 HB3 SER 13 3HB SER 13 4.978 20.199 3.402 92 HG SER 13 HG SER 13 5.627 21.820 5.252 93 H GLU 14 H GLU 14 8.482 20.597 2.047 94 HA GLU 14 HA GLU 14 7.941 20.583 -0.778 95 HB2 GLU 14 2HB GLU 14 9.908 18.926 0.874 96 HB3 GLU 14 3HB GLU 14 9.924 19.064 -0.886 97 HG2 GLU 14 2HG GLU 14 10.478 21.419 -0.755 98 HG3 GLU 14 3HG GLU 14 10.280 21.416 0.999 99 H GLU 15 H GLU 15 7.819 18.236 1.844 100 HA GLU 15 HA GLU 15 5.651 16.715 0.721 101 HB2 GLU 15 2HB GLU 15 7.013 14.513 0.829 102 HB3 GLU 15 3HB GLU 15 7.288 15.564 -0.555 103 HG2 GLU 15 2HG GLU 15 9.336 16.446 0.531 104 HG3 GLU 15 3HG GLU 15 9.099 15.343 1.884 105 H ASP 16 H ASP 16 4.792 17.542 2.651 106 HA ASP 16 HA ASP 16 5.898 17.137 5.242 107 HB2 ASP 16 2HB ASP 16 4.367 19.014 4.613 108 HB3 ASP 16 3HB ASP 16 3.054 17.864 4.418 109 H ASP 17 H ASP 17 4.798 15.959 7.002 110 HA ASP 17 HA ASP 17 4.372 13.197 6.388 111 HB2 ASP 17 2HB ASP 17 4.169 12.860 8.800 112 HB3 ASP 17 3HB ASP 17 5.516 13.946 8.473 113 H GLY 18 H GLY 18 2.239 15.812 6.276 114 HA2 GLY 18 2HA GLY 18 -0.241 14.654 6.935 115 HA3 GLY 18 3HA GLY 18 0.024 15.918 5.744 116 H VAL 19 H VAL 19 1.719 14.497 3.970 117 HA VAL 19 HA VAL 19 0.095 12.946 2.320 118 HB VAL 19 HB VAL 19 3.146 12.930 2.633 119 HG11 VAL 19 1HG1 VAL 19 2.466 10.829 1.553 120 HG12 VAL 19 2HG1 VAL 19 3.240 11.891 0.375 121 HG13 VAL 19 3HG1 VAL 19 1.485 11.723 0.389 122 HG21 VAL 19 3HG2 VAL 19 3.149 14.368 0.614 123 HG22 VAL 19 1HG2 VAL 19 2.232 15.118 1.928 124 HG23 VAL 19 2HG2 VAL 19 1.383 14.343 0.587 125 H VAL 20 H VAL 20 2.560 11.923 4.655 126 HA VAL 20 HA VAL 20 2.357 9.144 4.543 127 HB VAL 20 HB VAL 20 3.198 11.030 6.794 128 HG11 VAL 20 1HG1 VAL 20 4.421 9.150 7.829 129 HG12 VAL 20 2HG1 VAL 20 3.735 8.048 6.638 130 HG13 VAL 20 3HG1 VAL 20 2.684 8.844 7.807 131 HG21 VAL 20 3HG2 VAL 20 4.853 9.496 4.749 132 HG22 VAL 20 1HG2 VAL 20 5.502 10.542 6.015 133 HG23 VAL 20 2HG2 VAL 20 4.520 11.230 4.719 134 H ALA 21 H ALA 21 0.607 11.474 6.535 135 HA ALA 21 HA ALA 21 -0.703 9.710 8.301 136 HB1 ALA 21 3HB ALA 21 -0.403 12.110 8.769 137 HB2 ALA 21 1HB ALA 21 -2.108 11.651 8.878 138 HB3 ALA 21 2HB ALA 21 -1.511 12.513 7.457 139 H MET 22 H MET 22 -1.783 11.251 5.253 140 HA MET 22 HA MET 22 -4.392 10.041 5.379 141 HB2 MET 22 2HB MET 22 -4.880 11.107 3.272 142 HB3 MET 22 3HB MET 22 -4.074 12.257 4.325 143 HG2 MET 22 2HG MET 22 -2.030 12.075 3.080 144 HG3 MET 22 3HG MET 22 -2.664 10.737 2.117 145 HE1 MET 22 3HE MET 22 -5.443 12.555 -0.010 146 HE2 MET 22 1HE MET 22 -5.687 11.734 1.534 147 HE3 MET 22 2HE MET 22 -4.638 11.019 0.307 148 H ILE 23 H ILE 23 -1.302 9.113 3.943 149 HA ILE 23 HA ILE 23 -2.250 7.091 2.192 150 HB ILE 23 HB ILE 23 0.384 7.190 3.750 151 HG12 ILE 23 2HG1 ILE 23 -0.145 7.758 0.794 152 HG13 ILE 23 3HG1 ILE 23 0.102 8.990 2.020 153 HG21 ILE 23 1HG2 ILE 23 1.214 5.418 2.200 154 HG22 ILE 23 2HG2 ILE 23 -0.409 5.278 1.517 155 HG23 ILE 23 3HG2 ILE 23 -0.117 4.848 3.205 156 HD11 ILE 23 3HD1 ILE 23 2.108 8.648 0.688 157 HD12 ILE 23 1HD1 ILE 23 2.153 6.946 1.148 158 HD13 ILE 23 2HD1 ILE 23 2.395 8.198 2.369 159 H LYS 24 H LYS 24 -1.254 6.997 5.646 160 HA LYS 24 HA LYS 24 -1.810 4.367 6.308 161 HB2 LYS 24 2HB LYS 24 -2.258 6.846 8.011 162 HB3 LYS 24 3HB LYS 24 -2.237 5.196 8.634 163 HG2 LYS 24 2HG LYS 24 0.109 4.961 8.010 164 HG3 LYS 24 3HG LYS 24 0.103 6.584 7.301 165 HD2 LYS 24 2HD LYS 24 -0.414 7.555 9.532 166 HD3 LYS 24 3HD LYS 24 -0.413 5.936 10.239 167 HE2 LYS 24 2HE LYS 24 1.957 5.696 9.748 168 HE3 LYS 24 3HE LYS 24 1.973 7.253 8.916 169 HZ1 LYS 24 3HZ LYS 24 1.482 8.349 10.964 170 HZ2 LYS 24 1HZ LYS 24 2.832 7.364 11.187 171 HZ3 LYS 24 2HZ LYS 24 1.330 6.881 11.785 172 H GLU 25 H GLU 25 -4.057 7.128 6.225 173 HA GLU 25 HA GLU 25 -6.365 5.817 7.170 174 HB2 GLU 25 2HB GLU 25 -6.109 8.287 7.088 175 HB3 GLU 25 3HB GLU 25 -6.139 8.230 5.327 176 HG2 GLU 25 2HG GLU 25 -8.444 7.352 5.391 177 HG3 GLU 25 3HG GLU 25 -8.416 7.401 7.150 178 H LEU 26 H LEU 26 -5.259 6.539 3.830 179 HA LEU 26 HA LEU 26 -7.396 5.389 2.407 180 HB2 LEU 26 2HB LEU 26 -4.492 5.842 1.606 181 HB3 LEU 26 3HB LEU 26 -5.705 5.270 0.474 182 HG LEU 26 HG LEU 26 -5.777 7.977 1.875 183 HD11 LEU 26 1HD1 LEU 26 -3.939 7.847 0.254 184 HD12 LEU 26 2HD1 LEU 26 -5.208 8.937 -0.300 185 HD13 LEU 26 3HD1 LEU 26 -5.067 7.320 -1.000 186 HD21 LEU 26 3HD2 LEU 26 -7.547 6.858 -0.320 187 HD22 LEU 26 1HD2 LEU 26 -7.587 8.512 0.303 188 HD23 LEU 26 2HD2 LEU 26 -8.023 7.168 1.354 189 H LEU 27 H LEU 27 -4.464 3.918 3.743 190 HA LEU 27 HA LEU 27 -4.741 1.379 2.461 191 HB2 LEU 27 2HB LEU 27 -3.279 2.146 5.018 192 HB3 LEU 27 3HB LEU 27 -3.136 0.587 4.215 193 HG LEU 27 HG LEU 27 -2.250 3.247 3.017 194 HD11 LEU 27 1HD1 LEU 27 0.029 2.486 3.396 195 HD12 LEU 27 2HD1 LEU 27 -0.573 1.034 4.203 196 HD13 LEU 27 3HD1 LEU 27 -0.857 2.628 4.914 197 HD21 LEU 27 3HD2 LEU 27 -1.834 0.424 1.993 198 HD22 LEU 27 1HD2 LEU 27 -1.161 1.899 1.283 199 HD23 LEU 27 2HD2 LEU 27 -2.902 1.638 1.289 200 H ASP 28 H ASP 28 -5.482 2.611 5.716 201 HA ASP 28 HA ASP 28 -6.287 0.176 6.858 202 HB2 ASP 28 2HB ASP 28 -5.446 2.201 8.084 203 HB3 ASP 28 3HB ASP 28 -6.984 2.994 7.771 204 H THR 29 H THR 29 -8.097 2.560 5.079 205 HA THR 29 HA THR 29 -10.680 1.363 5.828 206 HB THR 29 HB THR 29 -11.678 3.371 4.727 207 HG1 THR 29 HG1 THR 29 -9.200 4.632 4.567 208 HG21 THR 29 3HG2 THR 29 -11.138 3.482 7.150 209 HG22 THR 29 1HG2 THR 29 -10.924 5.056 6.376 210 HG23 THR 29 2HG2 THR 29 -9.516 4.061 6.756 211 H ARG 30 H ARG 30 -8.464 1.476 3.112 212 HA ARG 30 HA ARG 30 -10.571 0.446 1.277 213 HB2 ARG 30 2HB ARG 30 -8.080 1.988 0.472 214 HB3 ARG 30 3HB ARG 30 -9.381 1.462 -0.595 215 HG2 ARG 30 2HG ARG 30 -10.919 3.031 0.469 216 HG3 ARG 30 3HG ARG 30 -9.682 3.512 1.634 217 HD2 ARG 30 2HD ARG 30 -9.899 5.169 -0.149 218 HD3 ARG 30 3HD ARG 30 -8.306 4.418 -0.191 219 HE ARG 30 HE ARG 30 -9.325 2.960 -2.022 220 HH11 ARG 30 1HH1 ARG 30 -10.307 6.299 -1.500 221 HH12 ARG 30 2HH1 ARG 30 -10.766 6.539 -3.152 222 HH21 ARG 30 1HH2 ARG 30 -9.955 3.278 -4.164 223 HH22 ARG 30 2HH2 ARG 30 -10.567 4.821 -4.664 224 H ILE 31 H ILE 31 -7.023 0.348 1.857 225 HA ILE 31 HA ILE 31 -6.658 -1.797 -0.059 226 HB ILE 31 HB ILE 31 -4.665 -0.467 1.811 227 HG12 ILE 31 2HG1 ILE 31 -5.618 1.109 0.139 228 HG13 ILE 31 3HG1 ILE 31 -3.908 0.823 -0.146 229 HG21 ILE 31 1HG2 ILE 31 -2.888 -1.446 0.385 230 HG22 ILE 31 2HG2 ILE 31 -4.117 -2.329 -0.525 231 HG23 ILE 31 3HG2 ILE 31 -3.858 -2.688 1.182 232 HD11 ILE 31 3HD1 ILE 31 -5.156 0.932 -2.202 233 HD12 ILE 31 1HD1 ILE 31 -6.189 -0.397 -1.686 234 HD13 ILE 31 2HD1 ILE 31 -4.469 -0.677 -1.986 235 H ARG 32 H ARG 32 -5.868 -1.475 3.446 236 HA ARG 32 HA ARG 32 -5.077 -4.017 4.008 237 HB2 ARG 32 2HB ARG 32 -6.611 -2.239 5.944 238 HB3 ARG 32 3HB ARG 32 -5.639 -3.643 6.393 239 HG2 ARG 32 2HG ARG 32 -3.638 -2.465 5.446 240 HG3 ARG 32 3HG ARG 32 -4.644 -1.041 5.186 241 HD2 ARG 32 2HD ARG 32 -3.481 -0.670 7.226 242 HD3 ARG 32 3HD ARG 32 -5.130 -1.094 7.690 243 HE ARG 32 HE ARG 32 -3.524 -3.427 7.635 244 HH11 ARG 32 1HH1 ARG 32 -3.995 -0.536 9.621 245 HH12 ARG 32 2HH1 ARG 32 -3.421 -1.307 11.062 246 HH21 ARG 32 1HH2 ARG 32 -2.744 -4.376 9.520 247 HH22 ARG 32 2HH2 ARG 32 -2.714 -3.482 11.005 248 HA PRO 33 HA PRO 33 -9.766 -5.401 5.078 249 HB2 PRO 33 2HB PRO 33 -11.657 -4.084 3.426 250 HB3 PRO 33 3HB PRO 33 -11.391 -3.757 5.152 251 HG2 PRO 33 2HG PRO 33 -10.297 -2.314 2.767 252 HG3 PRO 33 3HG PRO 33 -10.916 -1.656 4.301 253 HD2 PRO 33 2HD PRO 33 -8.285 -1.794 3.881 254 HD3 PRO 33 3HD PRO 33 -8.949 -2.178 5.482 255 H THR 34 H THR 34 -8.938 -4.242 1.786 256 HA THR 34 HA THR 34 -10.108 -6.351 0.300 257 HB THR 34 HB THR 34 -7.736 -4.572 -0.445 258 HG1 THR 34 HG1 THR 34 -10.060 -3.763 0.086 259 HG21 THR 34 3HG2 THR 34 -9.598 -6.142 -2.271 260 HG22 THR 34 1HG2 THR 34 -7.906 -6.536 -1.956 261 HG23 THR 34 2HG2 THR 34 -8.323 -5.041 -2.795 262 H VAL 35 H VAL 35 -6.805 -5.871 1.530 263 HA VAL 35 HA VAL 35 -5.699 -8.292 0.509 264 HB VAL 35 HB VAL 35 -4.554 -6.730 2.872 265 HG11 VAL 35 1HG1 VAL 35 -3.438 -8.874 2.352 266 HG12 VAL 35 2HG1 VAL 35 -2.373 -7.516 1.977 267 HG13 VAL 35 3HG1 VAL 35 -3.217 -8.368 0.677 268 HG21 VAL 35 3HG2 VAL 35 -3.329 -5.323 1.239 269 HG22 VAL 35 1HG2 VAL 35 -5.073 -5.110 1.091 270 HG23 VAL 35 2HG2 VAL 35 -4.206 -6.098 -0.083 271 H GLN 36 H GLN 36 -7.306 -7.427 3.513 272 HA GLN 36 HA GLN 36 -6.692 -9.831 4.952 273 HB2 GLN 36 2HB GLN 36 -8.786 -7.687 5.483 274 HB3 GLN 36 3HB GLN 36 -8.485 -9.048 6.565 275 HG2 GLN 36 2HG GLN 36 -6.188 -8.276 6.937 276 HG3 GLN 36 3HG GLN 36 -6.418 -6.952 5.801 277 HE21 GLN 36 1HE2 GLN 36 -6.015 -5.313 7.275 278 HE22 GLN 36 2HE2 GLN 36 -7.062 -4.952 8.603 279 H GLU 37 H GLU 37 -9.320 -8.795 2.825 280 HA GLU 37 HA GLU 37 -10.936 -11.120 3.127 281 HB2 GLU 37 2HB GLU 37 -10.730 -9.048 0.907 282 HB3 GLU 37 3HB GLU 37 -11.860 -10.401 0.830 283 HG2 GLU 37 2HG GLU 37 -11.827 -8.186 2.915 284 HG3 GLU 37 3HG GLU 37 -12.998 -8.390 1.613 285 H ASP 38 H ASP 38 -8.177 -10.273 1.109 286 HA ASP 38 HA ASP 38 -8.078 -12.677 -0.445 287 HB2 ASP 38 2HB ASP 38 -6.976 -10.649 -1.238 288 HB3 ASP 38 3HB ASP 38 -6.000 -10.547 0.218 289 H GLY 39 H GLY 39 -7.067 -11.826 2.782 290 HA2 GLY 39 2HA GLY 39 -6.927 -13.795 4.301 291 HA3 GLY 39 3HA GLY 39 -5.810 -14.503 3.143 292 H GLY 40 H GLY 40 -4.599 -11.780 2.668 293 HA2 GLY 40 2HA GLY 40 -2.593 -11.934 4.816 294 HA3 GLY 40 3HA GLY 40 -2.452 -11.077 3.288 295 H ASP 41 H ASP 41 -1.698 -9.228 4.297 296 HA ASP 41 HA ASP 41 -3.605 -7.217 4.825 297 HB2 ASP 41 2HB ASP 41 -3.742 -8.276 7.080 298 HB3 ASP 41 3HB ASP 41 -1.996 -8.123 7.262 299 H VAL 42 H VAL 42 -2.519 -5.100 5.180 300 HA VAL 42 HA VAL 42 0.350 -5.066 4.470 301 HB VAL 42 HB VAL 42 0.020 -2.992 3.134 302 HG11 VAL 42 1HG1 VAL 42 -1.662 -5.303 2.104 303 HG12 VAL 42 2HG1 VAL 42 0.091 -5.163 1.966 304 HG13 VAL 42 3HG1 VAL 42 -0.952 -4.018 1.119 305 HG21 VAL 42 3HG2 VAL 42 -2.197 -2.247 2.408 306 HG22 VAL 42 1HG2 VAL 42 -2.068 -2.161 4.164 307 HG23 VAL 42 2HG2 VAL 42 -2.964 -3.483 3.411 308 H ILE 43 H ILE 43 1.533 -4.010 5.902 309 HA ILE 43 HA ILE 43 0.248 -2.181 7.860 310 HB ILE 43 HB ILE 43 2.811 -3.818 8.182 311 HG12 ILE 43 2HG1 ILE 43 1.475 -4.883 10.151 312 HG13 ILE 43 3HG1 ILE 43 0.041 -4.184 9.407 313 HG21 ILE 43 1HG2 ILE 43 1.525 -1.932 10.178 314 HG22 ILE 43 2HG2 ILE 43 3.051 -1.676 9.330 315 HG23 ILE 43 3HG2 ILE 43 2.909 -2.984 10.506 316 HD11 ILE 43 3HD1 ILE 43 1.900 -6.184 8.122 317 HD12 ILE 43 1HD1 ILE 43 0.438 -5.510 7.398 318 HD13 ILE 43 2HD1 ILE 43 0.324 -6.526 8.831 319 H TYR 44 H TYR 44 0.846 -0.079 7.703 320 HA TYR 44 HA TYR 44 2.601 0.819 5.667 321 HB2 TYR 44 2HB TYR 44 0.651 2.160 6.449 322 HB3 TYR 44 3HB TYR 44 1.460 2.417 7.993 323 HD1 TYR 44 HD2 TYR 44 1.826 3.020 4.321 324 HD2 TYR 44 HD1 TYR 44 2.988 4.250 8.241 325 HE1 TYR 44 HE2 TYR 44 2.940 4.988 3.373 326 HE2 TYR 44 HE1 TYR 44 4.100 6.204 7.291 327 HH TYR 44 HH TYR 44 5.042 6.952 5.202 328 H LYS 45 H LYS 45 4.720 0.525 5.756 329 HA LYS 45 HA LYS 45 6.197 0.397 8.275 330 HB2 LYS 45 2HB LYS 45 7.057 -0.043 5.389 331 HB3 LYS 45 3HB LYS 45 8.093 -0.287 6.791 332 HG2 LYS 45 2HG LYS 45 5.485 -1.785 6.688 333 HG3 LYS 45 3HG LYS 45 6.781 -2.311 5.621 334 HD2 LYS 45 2HD LYS 45 6.981 -3.635 7.588 335 HD3 LYS 45 3HD LYS 45 8.283 -2.453 7.669 336 HE2 LYS 45 2HE LYS 45 6.975 -1.129 9.299 337 HE3 LYS 45 3HE LYS 45 5.651 -2.293 9.179 338 HZ1 LYS 45 3HZ LYS 45 7.150 -4.008 10.015 339 HZ2 LYS 45 1HZ LYS 45 6.997 -2.728 11.117 340 HZ3 LYS 45 2HZ LYS 45 8.390 -2.873 10.169 341 H GLY 46 H GLY 46 6.288 2.264 5.207 342 HA2 GLY 46 2HA GLY 46 6.920 4.723 6.470 343 HA3 GLY 46 3HA GLY 46 8.414 3.972 5.921 344 H PHE 47 H PHE 47 8.384 6.084 4.806 345 HA PHE 47 HA PHE 47 7.528 5.775 2.033 346 HB2 PHE 47 2HB PHE 47 5.688 7.051 3.143 347 HB3 PHE 47 3HB PHE 47 6.845 8.228 3.732 348 HD1 PHE 47 HD2 PHE 47 5.631 6.736 0.498 349 HD2 PHE 47 HD1 PHE 47 7.079 10.232 2.506 350 HE1 PHE 47 HE2 PHE 47 5.206 8.084 -1.520 351 HE2 PHE 47 HE1 PHE 47 6.644 11.563 0.486 352 HZ PHE 47 HZ PHE 47 5.712 10.495 -1.526 353 H GLU 48 H GLU 48 9.457 5.933 1.035 354 HA GLU 48 HA GLU 48 11.439 7.958 1.884 355 HB2 GLU 48 2HB GLU 48 12.026 5.036 1.206 356 HB3 GLU 48 3HB GLU 48 13.255 6.285 1.400 357 HG2 GLU 48 2HG GLU 48 12.572 6.564 3.769 358 HG3 GLU 48 3HG GLU 48 11.384 5.267 3.565 359 H ASP 49 H ASP 49 11.546 9.295 0.192 360 HA ASP 49 HA ASP 49 12.068 10.154 -1.824 361 HB2 ASP 49 2HB ASP 49 13.213 7.384 -2.376 362 HB3 ASP 49 3HB ASP 49 13.582 8.834 -3.309 363 H GLY 50 H GLY 50 9.471 9.229 -1.484 364 HA2 GLY 50 2HA GLY 50 7.615 9.393 -2.894 365 HA3 GLY 50 3HA GLY 50 8.618 8.961 -4.268 366 H ILE 51 H ILE 51 9.321 6.732 -1.951 367 HA ILE 51 HA ILE 51 7.553 4.743 -3.217 368 HB ILE 51 HB ILE 51 10.216 4.380 -1.788 369 HG12 ILE 51 2HG1 ILE 51 10.525 5.494 -3.951 370 HG13 ILE 51 3HG1 ILE 51 11.106 3.839 -4.074 371 HG21 ILE 51 1HG2 ILE 51 10.165 2.045 -2.606 372 HG22 ILE 51 2HG2 ILE 51 8.532 2.309 -3.225 373 HG23 ILE 51 3HG2 ILE 51 8.838 2.384 -1.489 374 HD11 ILE 51 3HD1 ILE 51 9.025 3.224 -5.244 375 HD12 ILE 51 1HD1 ILE 51 9.936 4.489 -6.065 376 HD13 ILE 51 2HD1 ILE 51 8.494 4.909 -5.145 377 H VAL 52 H VAL 52 5.858 4.204 -2.064 378 HA VAL 52 HA VAL 52 5.684 4.396 0.828 379 HB VAL 52 HB VAL 52 3.651 3.237 -1.135 380 HG11 VAL 52 1HG1 VAL 52 3.279 4.215 1.718 381 HG12 VAL 52 2HG1 VAL 52 3.249 2.530 1.194 382 HG13 VAL 52 3HG1 VAL 52 1.988 3.641 0.652 383 HG21 VAL 52 3HG2 VAL 52 4.126 5.578 -1.722 384 HG22 VAL 52 1HG2 VAL 52 3.821 6.068 -0.054 385 HG23 VAL 52 2HG2 VAL 52 2.505 5.426 -1.039 386 H GLN 53 H GLN 53 6.648 2.803 1.978 387 HA GLN 53 HA GLN 53 6.981 0.110 0.831 388 HB2 GLN 53 2HB GLN 53 8.346 1.522 3.152 389 HB3 GLN 53 3HB GLN 53 8.692 -0.138 2.671 390 HG2 GLN 53 2HG GLN 53 9.522 0.607 0.506 391 HG3 GLN 53 3HG GLN 53 9.014 2.263 0.833 392 HE21 GLN 53 1HE2 GLN 53 11.074 3.102 0.541 393 HE22 GLN 53 2HE2 GLN 53 12.355 2.843 1.671 394 H LEU 54 H LEU 54 5.842 -1.579 1.591 395 HA LEU 54 HA LEU 54 4.251 -1.307 4.083 396 HB2 LEU 54 2HB LEU 54 3.263 -2.457 1.442 397 HB3 LEU 54 3HB LEU 54 2.339 -2.380 2.938 398 HG LEU 54 HG LEU 54 3.232 0.010 1.263 399 HD11 LEU 54 1HD1 LEU 54 0.474 -1.161 1.677 400 HD12 LEU 54 2HD1 LEU 54 1.441 -1.239 0.201 401 HD13 LEU 54 3HD1 LEU 54 0.859 0.317 0.785 402 HD21 LEU 54 3HD2 LEU 54 3.199 0.635 3.607 403 HD22 LEU 54 1HD2 LEU 54 1.583 -0.053 3.808 404 HD23 LEU 54 2HD2 LEU 54 1.827 1.360 2.775 405 H LYS 55 H LYS 55 3.856 -3.192 5.203 406 HA LYS 55 HA LYS 55 5.570 -5.493 4.710 407 HB2 LYS 55 2HB LYS 55 5.468 -4.562 6.987 408 HB3 LYS 55 3HB LYS 55 3.719 -4.773 7.018 409 HG2 LYS 55 2HG LYS 55 4.068 -7.255 6.879 410 HG3 LYS 55 3HG LYS 55 5.814 -6.976 6.992 411 HD2 LYS 55 2HD LYS 55 5.481 -5.888 9.212 412 HD3 LYS 55 3HD LYS 55 3.742 -6.189 9.098 413 HE2 LYS 55 2HE LYS 55 4.204 -8.630 9.055 414 HE3 LYS 55 3HE LYS 55 5.930 -8.295 9.226 415 HZ1 LYS 55 3HZ LYS 55 4.869 -8.866 11.337 416 HZ2 LYS 55 1HZ LYS 55 3.830 -7.539 11.190 417 HZ3 LYS 55 2HZ LYS 55 5.492 -7.294 11.364 418 H LEU 56 H LEU 56 4.765 -6.979 3.308 419 HA LEU 56 HA LEU 56 1.884 -7.452 3.081 420 HB2 LEU 56 2HB LEU 56 4.143 -8.866 1.605 421 HB3 LEU 56 3HB LEU 56 2.427 -8.956 1.232 422 HG LEU 56 HG LEU 56 4.352 -6.661 0.744 423 HD11 LEU 56 1HD1 LEU 56 4.227 -8.350 -0.995 424 HD12 LEU 56 2HD1 LEU 56 3.549 -6.826 -1.561 425 HD13 LEU 56 3HD1 LEU 56 2.474 -8.153 -1.104 426 HD21 LEU 56 3HD2 LEU 56 2.415 -5.589 1.723 427 HD22 LEU 56 1HD2 LEU 56 1.328 -6.468 0.644 428 HD23 LEU 56 2HD2 LEU 56 2.452 -5.270 -0.008 429 H GLN 57 H GLN 57 0.848 -9.194 3.899 430 HA GLN 57 HA GLN 57 2.287 -11.067 5.675 431 HB2 GLN 57 2HB GLN 57 -0.667 -10.404 5.326 432 HB3 GLN 57 3HB GLN 57 -0.098 -11.694 6.380 433 HG2 GLN 57 2HG GLN 57 0.592 -8.755 6.676 434 HG3 GLN 57 3HG GLN 57 -0.636 -9.621 7.601 435 HE21 GLN 57 1HE2 GLN 57 1.703 -8.236 8.595 436 HE22 GLN 57 2HE2 GLN 57 2.620 -9.402 9.478 437 H GLY 58 H GLY 58 1.215 -13.389 5.707 438 HA2 GLY 58 2HA GLY 58 1.745 -14.800 3.363 439 HA3 GLY 58 3HA GLY 58 0.744 -15.388 4.681 440 H SER 59 H SER 59 0.241 -16.075 2.024 441 HA SER 59 HA SER 59 -1.281 -16.211 0.385 442 HB2 SER 59 2HB SER 59 -3.157 -15.907 1.964 443 HB3 SER 59 3HB SER 59 -2.960 -14.157 1.897 444 HG SER 59 HG SER 59 -4.047 -14.114 0.098 445 H CYS 60 H CYS 60 -1.190 -12.686 1.276 446 HA CYS 60 HA CYS 60 -1.197 -11.871 -1.461 447 HB2 CYS 60 2HB CYS 60 -0.881 -9.595 -0.591 448 HB3 CYS 60 3HB CYS 60 -2.126 -10.457 0.301 449 HG CYS 60 HG CYS 60 1.042 -10.299 1.519 450 H THR 61 H THR 61 1.393 -12.724 0.723 451 HA THR 61 HA THR 61 3.430 -11.754 -1.199 452 HB THR 61 HB THR 61 3.704 -11.066 1.214 453 HG1 THR 61 HG1 THR 61 5.830 -12.760 0.399 454 HG21 THR 61 3HG2 THR 61 4.383 -13.989 1.670 455 HG22 THR 61 1HG2 THR 61 2.952 -13.177 2.306 456 HG23 THR 61 2HG2 THR 61 4.559 -12.686 2.844 457 H SER 62 H SER 62 1.663 -14.451 -0.891 458 HA SER 62 HA SER 62 3.614 -16.541 -0.712 459 HB2 SER 62 2HB SER 62 1.246 -16.886 -0.045 460 HB3 SER 62 3HB SER 62 0.739 -16.670 -1.720 461 HG SER 62 HG SER 62 2.600 -18.650 -0.923 462 H CYS 63 H CYS 63 1.565 -15.468 -3.498 463 HA CYS 63 HA CYS 63 3.461 -16.683 -5.391 464 HB2 CYS 63 2HB CYS 63 0.728 -15.426 -5.832 465 HB3 CYS 63 3HB CYS 63 1.704 -16.168 -7.097 466 HG CYS 63 HG CYS 63 0.207 -17.738 -4.448 467 HA PRO 64 HA PRO 64 5.586 -12.784 -6.217 468 HB2 PRO 64 2HB PRO 64 6.392 -13.287 -8.856 469 HB3 PRO 64 3HB PRO 64 7.211 -13.926 -7.414 470 HG2 PRO 64 2HG PRO 64 5.187 -15.282 -9.179 471 HG3 PRO 64 3HG PRO 64 6.700 -15.926 -8.498 472 HD2 PRO 64 2HD PRO 64 4.344 -16.533 -7.366 473 HD3 PRO 64 3HD PRO 64 5.774 -16.225 -6.356 474 H SER 65 H SER 65 3.254 -13.954 -8.646 475 HA SER 65 HA SER 65 2.813 -11.461 -9.943 476 HB2 SER 65 2HB SER 65 2.278 -13.701 -10.950 477 HB3 SER 65 3HB SER 65 0.943 -13.864 -9.817 478 HG SER 65 HG SER 65 1.142 -12.353 -12.107 479 H SER 66 H SER 66 1.280 -13.076 -7.157 480 HA SER 66 HA SER 66 -0.885 -11.321 -6.767 481 HB2 SER 66 2HB SER 66 0.663 -12.955 -4.712 482 HB3 SER 66 3HB SER 66 -0.946 -12.262 -4.473 483 HG SER 66 HG SER 66 -1.791 -13.710 -5.821 484 H ILE 67 H ILE 67 2.448 -11.265 -5.529 485 HA ILE 67 HA ILE 67 2.363 -9.065 -3.816 486 HB ILE 67 HB ILE 67 4.661 -10.098 -5.543 487 HG12 ILE 67 2HG1 ILE 67 4.022 -10.637 -2.601 488 HG13 ILE 67 3HG1 ILE 67 3.718 -11.755 -3.924 489 HG21 ILE 67 1HG2 ILE 67 5.158 -7.796 -4.850 490 HG22 ILE 67 2HG2 ILE 67 6.200 -8.931 -3.994 491 HG23 ILE 67 3HG2 ILE 67 4.821 -8.208 -3.166 492 HD11 ILE 67 3HD1 ILE 67 6.427 -10.816 -2.970 493 HD12 ILE 67 1HD1 ILE 67 6.142 -11.904 -4.334 494 HD13 ILE 67 2HD1 ILE 67 5.694 -12.397 -2.703 495 H ILE 68 H ILE 68 3.213 -9.182 -7.291 496 HA ILE 68 HA ILE 68 3.806 -6.407 -7.512 497 HB ILE 68 HB ILE 68 3.245 -8.419 -9.737 498 HG12 ILE 68 2HG1 ILE 68 5.925 -7.520 -8.552 499 HG13 ILE 68 3HG1 ILE 68 5.164 -9.082 -8.270 500 HG21 ILE 68 1HG2 ILE 68 4.601 -5.697 -9.878 501 HG22 ILE 68 2HG2 ILE 68 3.020 -6.107 -10.547 502 HG23 ILE 68 3HG2 ILE 68 4.472 -6.849 -11.216 503 HD11 ILE 68 3HD1 ILE 68 6.959 -9.260 -9.887 504 HD12 ILE 68 1HD1 ILE 68 6.186 -8.064 -10.927 505 HD13 ILE 68 2HD1 ILE 68 5.413 -9.627 -10.648 506 H THR 69 H THR 69 0.900 -8.345 -8.388 507 HA THR 69 HA THR 69 -0.697 -6.363 -9.550 508 HB THR 69 HB THR 69 -1.609 -8.709 -7.824 509 HG1 THR 69 HG1 THR 69 -0.315 -8.961 -9.919 510 HG21 THR 69 3HG2 THR 69 -3.440 -7.070 -8.092 511 HG22 THR 69 1HG2 THR 69 -3.779 -8.541 -9.008 512 HG23 THR 69 2HG2 THR 69 -3.210 -7.094 -9.841 513 H LEU 70 H LEU 70 -0.317 -7.297 -6.133 514 HA LEU 70 HA LEU 70 -2.227 -5.529 -5.038 515 HB2 LEU 70 2HB LEU 70 -1.363 -7.512 -3.853 516 HB3 LEU 70 3HB LEU 70 0.237 -6.792 -3.776 517 HG LEU 70 HG LEU 70 -0.600 -5.021 -2.268 518 HD11 LEU 70 1HD1 LEU 70 -3.290 -6.397 -2.456 519 HD12 LEU 70 2HD1 LEU 70 -2.878 -4.797 -3.076 520 HD13 LEU 70 3HD1 LEU 70 -2.872 -5.092 -1.341 521 HD21 LEU 70 3HD2 LEU 70 -1.323 -7.804 -1.309 522 HD22 LEU 70 1HD2 LEU 70 -1.036 -6.397 -0.279 523 HD23 LEU 70 2HD2 LEU 70 0.275 -7.057 -1.252 524 H LYS 71 H LYS 71 1.324 -5.306 -5.288 525 HA LYS 71 HA LYS 71 1.783 -2.830 -4.120 526 HB2 LYS 71 2HB LYS 71 3.521 -4.487 -4.530 527 HB3 LYS 71 3HB LYS 71 3.302 -4.359 -6.265 528 HG2 LYS 71 2HG LYS 71 4.129 -1.877 -4.800 529 HG3 LYS 71 3HG LYS 71 5.326 -3.166 -4.938 530 HD2 LYS 71 2HD LYS 71 3.891 -1.814 -7.274 531 HD3 LYS 71 3HD LYS 71 5.548 -1.485 -6.754 532 HE2 LYS 71 2HE LYS 71 6.153 -3.832 -7.285 533 HE3 LYS 71 3HE LYS 71 4.504 -4.126 -7.840 534 HZ1 LYS 71 3HZ LYS 71 5.988 -3.674 -9.671 535 HZ2 LYS 71 1HZ LYS 71 6.413 -2.179 -9.008 536 HZ3 LYS 71 2HZ LYS 71 4.832 -2.446 -9.547 537 H ASN 72 H ASN 72 1.026 -3.622 -7.476 538 HA ASN 72 HA ASN 72 1.274 -1.008 -8.572 539 HB2 ASN 72 2HB ASN 72 0.002 -3.572 -9.579 540 HB3 ASN 72 3HB ASN 72 -0.170 -2.078 -10.488 541 HD21 ASN 72 1HD2 ASN 72 0.922 -3.106 -12.205 542 HD22 ASN 72 2HD2 ASN 72 2.639 -3.305 -12.196 543 H GLY 73 H GLY 73 -1.516 -2.892 -7.388 544 HA2 GLY 73 2HA GLY 73 -3.570 -1.130 -8.136 545 HA3 GLY 73 3HA GLY 73 -3.658 -2.315 -6.846 546 H ILE 74 H ILE 74 -1.838 -1.453 -5.058 547 HA ILE 74 HA ILE 74 -3.004 0.638 -3.590 548 HB ILE 74 HB ILE 74 -0.128 -0.396 -3.385 549 HG12 ILE 74 2HG1 ILE 74 -2.563 -1.398 -1.841 550 HG13 ILE 74 3HG1 ILE 74 -1.871 -2.223 -3.228 551 HG21 ILE 74 1HG2 ILE 74 -1.836 1.007 -1.298 552 HG22 ILE 74 2HG2 ILE 74 -0.455 1.701 -2.147 553 HG23 ILE 74 3HG2 ILE 74 -0.211 0.359 -1.032 554 HD11 ILE 74 3HD1 ILE 74 -1.156 -3.266 -1.171 555 HD12 ILE 74 1HD1 ILE 74 -0.488 -1.742 -0.589 556 HD13 ILE 74 2HD1 ILE 74 0.226 -2.542 -1.990 557 H GLN 75 H GLN 75 -0.179 0.512 -5.728 558 HA GLN 75 HA GLN 75 0.928 3.032 -5.375 559 HB2 GLN 75 2HB GLN 75 2.019 1.173 -6.563 560 HB3 GLN 75 3HB GLN 75 0.860 1.310 -7.880 561 HG2 GLN 75 2HG GLN 75 1.742 3.588 -8.374 562 HG3 GLN 75 3HG GLN 75 2.939 3.375 -7.096 563 HE21 GLN 75 1HE2 GLN 75 3.390 0.523 -7.751 564 HE22 GLN 75 2HE2 GLN 75 4.301 0.535 -9.211 565 H ASN 76 H ASN 76 -1.240 2.031 -8.063 566 HA ASN 76 HA ASN 76 -1.506 4.579 -9.192 567 HB2 ASN 76 2HB ASN 76 -3.210 2.079 -9.482 568 HB3 ASN 76 3HB ASN 76 -3.543 3.555 -10.387 569 HD21 ASN 76 1HD2 ASN 76 -1.485 0.785 -10.123 570 HD22 ASN 76 2HD2 ASN 76 -0.558 1.087 -11.544 571 H MET 77 H MET 77 -3.476 2.930 -6.722 572 HA MET 77 HA MET 77 -5.632 4.782 -6.648 573 HB2 MET 77 2HB MET 77 -5.663 2.479 -5.644 574 HB3 MET 77 3HB MET 77 -4.584 3.041 -4.377 575 HG2 MET 77 2HG MET 77 -7.300 4.296 -4.843 576 HG3 MET 77 3HG MET 77 -7.078 2.896 -3.803 577 HE1 MET 77 3HE MET 77 -4.856 4.369 -0.928 578 HE2 MET 77 1HE MET 77 -4.310 3.498 -2.364 579 HE3 MET 77 2HE MET 77 -5.748 2.959 -1.492 580 H LEU 78 H LEU 78 -2.667 4.544 -4.647 581 HA LEU 78 HA LEU 78 -3.048 6.852 -3.081 582 HB2 LEU 78 2HB LEU 78 -0.520 5.368 -3.876 583 HB3 LEU 78 3HB LEU 78 -0.509 6.722 -2.761 584 HG LEU 78 HG LEU 78 -1.974 4.099 -2.283 585 HD11 LEU 78 1HD1 LEU 78 0.619 5.109 -1.089 586 HD12 LEU 78 2HD1 LEU 78 0.446 3.780 -2.241 587 HD13 LEU 78 3HD1 LEU 78 -0.236 3.633 -0.622 588 HD21 LEU 78 3HD2 LEU 78 -1.532 6.468 -0.437 589 HD22 LEU 78 1HD2 LEU 78 -2.266 4.925 0.020 590 HD23 LEU 78 2HD2 LEU 78 -3.069 5.970 -1.149 591 H GLN 79 H GLN 79 -1.480 6.392 -6.240 592 HA GLN 79 HA GLN 79 -0.333 8.964 -6.517 593 HB2 GLN 79 2HB GLN 79 -1.056 6.852 -8.581 594 HB3 GLN 79 3HB GLN 79 -0.270 8.369 -9.014 595 HG2 GLN 79 2HG GLN 79 1.617 7.800 -7.536 596 HG3 GLN 79 3HG GLN 79 0.845 6.271 -7.134 597 HE21 GLN 79 1HE2 GLN 79 3.452 6.841 -8.403 598 HE22 GLN 79 2HE2 GLN 79 3.435 5.966 -9.895 599 H PHE 80 H PHE 80 -3.504 7.655 -7.279 600 HA PHE 80 HA PHE 80 -4.524 9.696 -8.931 601 HB2 PHE 80 2HB PHE 80 -5.521 7.436 -8.699 602 HB3 PHE 80 3HB PHE 80 -5.953 7.784 -7.035 603 HD1 PHE 80 HD1 PHE 80 -6.725 8.603 -10.582 604 HD2 PHE 80 HD2 PHE 80 -7.991 8.991 -6.509 605 HE1 PHE 80 HE1 PHE 80 -8.944 9.373 -11.325 606 HE2 PHE 80 HE2 PHE 80 -10.189 9.764 -7.268 607 HZ PHE 80 HZ PHE 80 -10.673 9.950 -9.668 608 H TYR 81 H TYR 81 -4.211 9.435 -5.431 609 HA TYR 81 HA TYR 81 -5.723 11.936 -4.988 610 HB2 TYR 81 2HB TYR 81 -4.782 9.815 -3.008 611 HB3 TYR 81 3HB TYR 81 -5.691 11.263 -2.576 612 HD1 TYR 81 HD1 TYR 81 -8.017 11.589 -3.692 613 HD2 TYR 81 HD2 TYR 81 -5.985 7.822 -3.631 614 HE1 TYR 81 HE1 TYR 81 -10.127 10.434 -4.181 615 HE2 TYR 81 HE2 TYR 81 -8.095 6.670 -4.123 616 HH TYR 81 HH TYR 81 -10.920 8.380 -5.126 617 H ILE 82 H ILE 82 -2.477 10.690 -5.017 618 HA ILE 82 HA ILE 82 -1.358 13.080 -3.675 619 HB ILE 82 HB ILE 82 -0.494 10.220 -3.052 620 HG12 ILE 82 2HG1 ILE 82 -1.943 12.152 -1.174 621 HG13 ILE 82 3HG1 ILE 82 -2.719 10.815 -2.014 622 HG21 ILE 82 1HG2 ILE 82 0.970 11.233 -1.336 623 HG22 ILE 82 2HG2 ILE 82 0.464 12.844 -1.854 624 HG23 ILE 82 3HG2 ILE 82 1.372 11.807 -2.955 625 HD11 ILE 82 3HD1 ILE 82 -2.254 10.217 0.269 626 HD12 ILE 82 1HD1 ILE 82 -0.543 10.591 0.064 627 HD13 ILE 82 2HD1 ILE 82 -1.266 9.238 -0.813 628 HA PRO 83 HA PRO 83 1.296 12.466 -7.386 629 HB2 PRO 83 2HB PRO 83 2.327 14.989 -7.523 630 HB3 PRO 83 3HB PRO 83 0.650 14.638 -8.001 631 HG2 PRO 83 2HG PRO 83 1.662 15.802 -5.417 632 HG3 PRO 83 3HG PRO 83 0.272 16.302 -6.409 633 HD2 PRO 83 2HD PRO 83 0.022 14.708 -4.173 634 HD3 PRO 83 3HD PRO 83 -1.118 14.662 -5.534 635 H GLU 84 H GLU 84 2.216 13.072 -4.106 636 HA GLU 84 HA GLU 84 5.068 13.083 -4.452 637 HB2 GLU 84 2HB GLU 84 3.350 12.493 -2.011 638 HB3 GLU 84 3HB GLU 84 5.104 12.448 -1.965 639 HG2 GLU 84 2HG GLU 84 4.265 14.562 -1.079 640 HG3 GLU 84 3HG GLU 84 5.231 14.820 -2.534 641 H VAL 85 H VAL 85 2.649 10.558 -4.267 642 HA VAL 85 HA VAL 85 4.468 8.388 -3.751 643 HB VAL 85 HB VAL 85 1.626 8.334 -4.861 644 HG11 VAL 85 1HG1 VAL 85 2.833 6.251 -5.428 645 HG12 VAL 85 2HG1 VAL 85 1.589 5.939 -4.216 646 HG13 VAL 85 3HG1 VAL 85 3.285 6.037 -3.732 647 HG21 VAL 85 3HG2 VAL 85 1.737 9.322 -2.596 648 HG22 VAL 85 1HG2 VAL 85 2.606 7.902 -2.008 649 HG23 VAL 85 2HG2 VAL 85 0.939 7.753 -2.558 650 H GLU 86 H GLU 86 6.062 8.312 -5.188 651 HA GLU 86 HA GLU 86 5.694 8.335 -8.070 652 HB2 GLU 86 2HB GLU 86 8.149 7.788 -6.339 653 HB3 GLU 86 3HB GLU 86 8.168 7.905 -8.100 654 HG2 GLU 86 2HG GLU 86 7.471 10.255 -7.983 655 HG3 GLU 86 3HG GLU 86 7.362 10.158 -6.222 656 H GLY 87 H GLY 87 5.877 6.009 -5.469 657 HA2 GLY 87 2HA GLY 87 4.789 3.914 -7.011 658 HA3 GLY 87 3HA GLY 87 6.522 3.647 -6.841 659 H VAL 88 H VAL 88 5.225 1.709 -5.857 660 HA VAL 88 HA VAL 88 5.350 1.956 -2.905 661 HB VAL 88 HB VAL 88 3.390 0.252 -4.539 662 HG11 VAL 88 1HG1 VAL 88 2.463 -0.623 -2.420 663 HG12 VAL 88 2HG1 VAL 88 3.718 0.223 -1.511 664 HG13 VAL 88 3HG1 VAL 88 4.158 -1.091 -2.603 665 HG21 VAL 88 3HG2 VAL 88 2.866 2.476 -2.535 666 HG22 VAL 88 1HG2 VAL 88 1.621 1.529 -3.356 667 HG23 VAL 88 2HG2 VAL 88 2.682 2.591 -4.285 668 H GLU 89 H GLU 89 6.288 0.055 -1.864 669 HA GLU 89 HA GLU 89 7.518 -1.999 -3.564 670 HB2 GLU 89 2HB GLU 89 9.202 -0.180 -3.390 671 HB3 GLU 89 3HB GLU 89 9.140 -0.284 -1.635 672 HG2 GLU 89 2HG GLU 89 10.071 -2.562 -1.721 673 HG3 GLU 89 3HG GLU 89 10.071 -2.503 -3.487 674 H GLN 90 H GLN 90 7.963 -3.911 -2.501 675 HA GLN 90 HA GLN 90 6.510 -4.439 -0.044 676 HB2 GLN 90 2HB GLN 90 6.325 -6.021 -1.889 677 HB3 GLN 90 3HB GLN 90 8.074 -6.211 -1.957 678 HG2 GLN 90 2HG GLN 90 7.971 -7.209 0.366 679 HG3 GLN 90 3HG GLN 90 6.214 -7.160 0.245 680 HE21 GLN 90 1HE2 GLN 90 6.090 -9.418 0.436 681 HE22 GLN 90 2HE2 GLN 90 6.552 -10.472 -0.848 682 H VAL 91 H VAL 91 7.440 -4.483 1.907 683 HA VAL 91 HA VAL 91 10.152 -5.602 2.236 684 HB VAL 91 HB VAL 91 10.326 -4.163 4.394 685 HG11 VAL 91 1HG1 VAL 91 11.722 -3.655 2.418 686 HG12 VAL 91 2HG1 VAL 91 11.228 -2.166 3.230 687 HG13 VAL 91 3HG1 VAL 91 10.423 -2.669 1.739 688 HG21 VAL 91 3HG2 VAL 91 9.054 -2.054 4.468 689 HG22 VAL 91 1HG2 VAL 91 7.965 -3.445 4.503 690 HG23 VAL 91 2HG2 VAL 91 8.171 -2.521 3.012 691 H MET 92 H MET 92 10.262 -7.083 3.994 692 HA MET 92 HA MET 92 7.690 -7.819 5.277 693 HB2 MET 92 2HB MET 92 9.659 -9.723 3.921 694 HB3 MET 92 3HB MET 92 8.356 -10.264 4.972 695 HG2 MET 92 2HG MET 92 6.706 -9.334 3.406 696 HG3 MET 92 3HG MET 92 8.008 -8.775 2.356 697 HE1 MET 92 3HE MET 92 9.571 -10.394 0.920 698 HE2 MET 92 1HE MET 92 9.512 -12.153 1.033 699 HE3 MET 92 2HE MET 92 10.103 -11.204 2.396 700 H ASP 93 H ASP 93 7.891 -7.838 7.410 701 HA ASP 93 HA ASP 93 10.461 -7.977 8.739 702 HB2 ASP 93 2HB ASP 93 7.660 -7.821 9.931 703 HB3 ASP 93 3HB ASP 93 9.166 -7.640 10.822 704 H ASP 94 H ASP 94 10.669 -10.151 7.607 705 HA ASP 94 HA ASP 94 9.850 -12.310 9.456 706 HB2 ASP 94 2HB ASP 94 9.453 -12.720 7.018 707 HB3 ASP 94 3HB ASP 94 11.170 -12.507 6.703 708 H GLU 95 H GLU 95 12.717 -11.690 7.446 709 HA GLU 95 HA GLU 95 14.940 -11.633 7.800 710 HB2 GLU 95 2HB GLU 95 13.998 -9.932 10.132 711 HB3 GLU 95 3HB GLU 95 15.644 -9.925 9.500 712 HG2 GLU 95 2HG GLU 95 14.748 -9.136 7.292 713 HG3 GLU 95 3HG GLU 95 13.133 -9.053 7.991 714 H SER 96 H SER 96 13.738 -13.970 8.867 715 HA SER 96 HA SER 96 15.025 -14.517 11.462 716 HB2 SER 96 2HB SER 96 12.513 -14.805 11.221 717 HB3 SER 96 3HB SER 96 12.817 -16.078 10.040 718 HG SER 96 HG SER 96 12.443 -16.806 12.224 719 H ASP 97 H ASP 97 16.760 -14.410 9.368 720 HA ASP 97 HA ASP 97 17.234 -16.987 8.161 721 HB2 ASP 97 2HB ASP 97 19.337 -15.880 7.274 722 HB3 ASP 97 3HB ASP 97 17.830 -15.105 6.820
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