NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15106 | 1xhs | 6448 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 4.541 4.420 -12.291 2 2H MET 1 2HT MET 1 3.261 3.863 -11.335 3 3H MET 1 3HT MET 1 4.158 2.774 -12.265 4 HA MET 1 HA MET 1 6.125 3.264 -10.967 5 1HB MET 1 2HB MET 1 4.845 5.530 -10.294 6 2HB MET 1 1HB MET 1 4.446 4.554 -8.887 7 1HG MET 1 2HG MET 1 6.408 5.907 -8.490 8 2HG MET 1 1HG MET 1 6.811 4.190 -8.456 9 1HE MET 1 1HE MET 1 6.930 7.500 -10.613 10 2HE MET 1 2HE MET 1 6.109 6.349 -11.669 11 3HE MET 1 3HE MET 1 7.727 6.920 -12.078 12 H ARG 2 H ARG 2 6.372 2.206 -8.679 13 HA ARG 2 HA ARG 2 4.448 0.031 -8.559 14 1HB ARG 2 2HB ARG 2 7.161 0.526 -7.431 15 2HB ARG 2 1HB ARG 2 6.115 -0.632 -6.615 16 1HG ARG 2 2HG ARG 2 6.036 -2.047 -8.464 17 2HG ARG 2 1HG ARG 2 6.605 -0.790 -9.564 18 1HD ARG 2 2HD ARG 2 8.348 -1.722 -7.322 19 2HD ARG 2 1HD ARG 2 8.225 -2.680 -8.799 20 HE ARG 2 HE ARG 2 8.788 0.094 -9.292 21 1HH1 ARG 2 1HH1 ARG 2 10.221 -2.986 -8.441 22 2HH1 ARG 2 2HH1 ARG 2 11.759 -2.613 -9.159 23 1HH2 ARG 2 1HH2 ARG 2 10.787 0.575 -10.271 24 2HH2 ARG 2 2HH2 ARG 2 12.084 -0.588 -10.194 25 H ILE 3 H ILE 3 3.072 -0.389 -6.908 26 HA ILE 3 HA ILE 3 2.962 1.475 -4.662 27 HB ILE 3 HB ILE 3 1.553 2.496 -6.405 28 1HG1 ILE 3 2HG1 ILE 3 -0.091 1.308 -4.156 29 2HG1 ILE 3 1HG1 ILE 3 0.926 2.739 -4.027 30 1HG2 ILE 3 1HG2 ILE 3 -0.029 -0.067 -6.302 31 2HG2 ILE 3 2HG2 ILE 3 0.972 0.490 -7.642 32 3HG2 ILE 3 3HG2 ILE 3 -0.477 1.388 -7.193 33 1HD1 ILE 3 1HD1 ILE 3 -1.434 3.304 -4.268 34 2HD1 ILE 3 2HD1 ILE 3 -1.476 2.459 -5.815 35 3HD1 ILE 3 3HD1 ILE 3 -0.481 3.904 -5.625 36 H PHE 4 H PHE 4 1.731 0.694 -2.891 37 HA PHE 4 HA PHE 4 1.614 -2.217 -2.814 38 1HB PHE 4 2HB PHE 4 2.802 -0.957 -1.026 39 2HB PHE 4 1HB PHE 4 1.275 -0.207 -0.574 40 HD1 PHE 4 HD1 PHE 4 3.057 -3.435 -0.791 41 HD2 PHE 4 HD2 PHE 4 -0.229 -1.295 0.860 42 HE1 PHE 4 HE1 PHE 4 2.592 -5.320 0.718 43 HE2 PHE 4 HE2 PHE 4 -0.698 -3.175 2.374 44 HZ PHE 4 HZ PHE 4 0.714 -5.193 2.303 45 H VAL 5 H VAL 5 -0.222 -3.337 -2.888 46 HA VAL 5 HA VAL 5 -2.742 -1.873 -2.953 47 HB VAL 5 HB VAL 5 -2.101 -4.748 -3.633 48 1HG1 VAL 5 1HG1 VAL 5 -4.374 -4.865 -4.549 49 2HG1 VAL 5 2HG1 VAL 5 -4.707 -3.255 -3.911 50 3HG1 VAL 5 3HG1 VAL 5 -4.383 -4.593 -2.808 51 1HG2 VAL 5 1HG2 VAL 5 -2.736 -2.347 -5.340 52 2HG2 VAL 5 2HG2 VAL 5 -2.568 -3.998 -5.939 53 3HG2 VAL 5 3HG2 VAL 5 -1.184 -3.177 -5.217 54 H TYR 6 H TYR 6 -3.540 -1.491 -1.002 55 HA TYR 6 HA TYR 6 -3.675 -3.715 0.915 56 1HB TYR 6 2HB TYR 6 -3.994 -2.009 2.658 57 2HB TYR 6 1HB TYR 6 -2.485 -1.774 1.792 58 HD1 TYR 6 HD1 TYR 6 -2.495 0.015 -0.102 59 HD2 TYR 6 HD2 TYR 6 -5.483 -0.257 2.921 60 HE1 TYR 6 HE1 TYR 6 -3.112 2.367 -0.500 61 HE2 TYR 6 HE2 TYR 6 -6.112 2.082 2.519 62 HH TYR 6 HH TYR 6 -5.281 4.071 1.605 63 H GLY 7 H GLY 7 -5.429 -2.973 -1.431 64 1HA GLY 7 2HA GLY 7 -7.975 -2.814 0.055 65 2HA GLY 7 1HA GLY 7 -7.765 -2.225 -1.590 66 H SER 8 H SER 8 -7.391 -5.173 0.327 67 HA SER 8 HA SER 8 -7.671 -7.363 -0.066 68 1HB SER 8 2HB SER 8 -9.560 -8.127 -1.340 69 2HB SER 8 1HB SER 8 -10.028 -6.655 -0.494 70 HG SER 8 HG SER 8 -9.300 -5.658 -2.645 71 H LEU 9 H LEU 9 -7.035 -9.124 -1.386 72 HA LEU 9 HA LEU 9 -4.989 -8.485 -3.252 73 1HB LEU 9 2HB LEU 9 -6.347 -11.133 -2.721 74 2HB LEU 9 1HB LEU 9 -4.920 -10.925 -3.711 75 HG LEU 9 HG LEU 9 -4.065 -11.708 -1.704 76 1HD1 LEU 9 1HD1 LEU 9 -2.867 -9.723 -2.417 77 2HD1 LEU 9 2HD1 LEU 9 -2.871 -9.859 -0.658 78 3HD1 LEU 9 3HD1 LEU 9 -3.946 -8.711 -1.457 79 1HD2 LEU 9 1HD2 LEU 9 -6.137 -11.562 -0.418 80 2HD2 LEU 9 2HD2 LEU 9 -5.885 -9.827 -0.213 81 3HD2 LEU 9 3HD2 LEU 9 -4.753 -10.973 0.503 82 H ARG 10 H ARG 10 -8.341 -8.950 -3.454 83 HA ARG 10 HA ARG 10 -8.593 -9.686 -6.177 84 1HB ARG 10 2HB ARG 10 -10.507 -8.255 -4.322 85 2HB ARG 10 1HB ARG 10 -10.938 -8.899 -5.902 86 1HG ARG 10 2HG ARG 10 -10.408 -11.152 -5.137 87 2HG ARG 10 1HG ARG 10 -9.948 -10.511 -3.558 88 1HD ARG 10 2HD ARG 10 -12.202 -11.424 -3.494 89 2HD ARG 10 1HD ARG 10 -12.227 -9.680 -3.237 90 HE ARG 10 HE ARG 10 -12.722 -9.698 -5.797 91 1HH1 ARG 10 1HH1 ARG 10 -13.941 -11.933 -3.387 92 2HH1 ARG 10 2HH1 ARG 10 -15.409 -12.268 -4.263 93 1HH2 ARG 10 1HH2 ARG 10 -14.639 -10.133 -6.948 94 2HH2 ARG 10 2HH2 ARG 10 -15.806 -11.246 -6.291 95 H HIS 11 H HIS 11 -7.799 -6.782 -4.581 96 HA HIS 11 HA HIS 11 -7.662 -4.596 -5.145 97 1HB HIS 11 2HB HIS 11 -6.415 -4.161 -7.252 98 2HB HIS 11 1HB HIS 11 -5.679 -5.385 -6.233 99 HD1 HIS 11 HD1 HIS 11 -5.340 -7.691 -7.237 100 HD2 HIS 11 HD2 HIS 11 -7.544 -5.154 -9.689 101 HE1 HIS 11 HE1 HIS 11 -5.484 -8.855 -9.459 102 HE2 HIS 11 HE2 HIS 11 -7.012 -7.407 -10.840 103 H LYS 12 H LYS 12 -7.869 -3.349 -7.744 104 HA LYS 12 HA LYS 12 -10.605 -3.866 -8.583 105 1HB LYS 12 2HB LYS 12 -10.637 -2.199 -6.658 106 2HB LYS 12 1HB LYS 12 -9.778 -1.090 -7.717 107 1HG LYS 12 2HG LYS 12 -12.138 -0.593 -7.708 108 2HG LYS 12 1HG LYS 12 -11.640 -1.163 -9.300 109 1HD LYS 12 2HD LYS 12 -13.699 -2.229 -8.837 110 2HD LYS 12 1HD LYS 12 -12.452 -3.451 -8.606 111 1HE LYS 12 2HE LYS 12 -13.584 -1.843 -6.327 112 2HE LYS 12 1HE LYS 12 -14.313 -3.349 -6.872 113 1HZ LYS 12 1HZ LYS 12 -11.601 -2.965 -5.719 114 2HZ LYS 12 2HZ LYS 12 -12.097 -4.405 -6.466 115 3HZ LYS 12 3HZ LYS 12 -12.886 -3.860 -5.076 116 H GLN 13 H GLN 13 -10.936 -3.353 -10.706 117 HA GLN 13 HA GLN 13 -8.612 -2.848 -12.293 118 1HB GLN 13 2HB GLN 13 -11.520 -3.228 -12.992 119 2HB GLN 13 1HB GLN 13 -10.291 -2.914 -14.206 120 1HG GLN 13 2HG GLN 13 -10.808 -5.280 -14.059 121 2HG GLN 13 1HG GLN 13 -9.138 -4.967 -13.601 122 1HE2 GLN 13 1HE2 GLN 13 -12.315 -5.831 -12.454 123 2HE2 GLN 13 2HE2 GLN 13 -11.797 -6.471 -10.926 124 H GLY 14 H GLY 14 -10.962 -0.926 -10.853 125 1HA GLY 14 2HA GLY 14 -11.204 1.337 -10.777 126 2HA GLY 14 1HA GLY 14 -9.716 1.466 -11.696 127 H ASN 15 H ASN 15 -9.788 1.800 -13.854 128 HA ASN 15 HA ASN 15 -12.454 2.044 -15.069 129 1HB ASN 15 2HB ASN 15 -11.637 3.960 -16.370 130 2HB ASN 15 1HB ASN 15 -11.525 4.272 -14.644 131 1HD2 ASN 15 1HD2 ASN 15 -10.121 5.555 -16.806 132 2HD2 ASN 15 2HD2 ASN 15 -8.435 5.329 -16.499 133 H SER 16 H SER 16 -9.060 1.324 -15.523 134 HA SER 16 HA SER 16 -9.473 -0.783 -17.311 135 1HB SER 16 2HB SER 16 -8.424 0.318 -19.356 136 2HB SER 16 1HB SER 16 -10.088 0.782 -19.001 137 HG SER 16 HG SER 16 -8.652 2.567 -19.490 138 H HIS 17 H HIS 17 -7.252 1.886 -16.634 139 HA HIS 17 HA HIS 17 -4.836 0.818 -17.318 140 1HB HIS 17 2HB HIS 17 -5.595 2.682 -15.089 141 2HB HIS 17 1HB HIS 17 -3.922 2.203 -15.330 142 HD1 HIS 17 HD1 HIS 17 -5.456 5.100 -15.753 143 HD2 HIS 17 HD2 HIS 17 -3.801 2.540 -18.598 144 HE1 HIS 17 HE1 HIS 17 -4.916 6.540 -17.744 145 HE2 HIS 17 HE2 HIS 17 -3.655 5.023 -19.309 146 H TRP 18 H TRP 18 -6.642 0.126 -14.382 147 HA TRP 18 HA TRP 18 -4.351 -0.936 -13.018 148 1HB TRP 18 2HB TRP 18 -7.258 -0.986 -12.200 149 2HB TRP 18 1HB TRP 18 -5.863 -1.249 -11.151 150 HD1 TRP 18 HD1 TRP 18 -8.111 1.436 -12.352 151 HE1 TRP 18 HE1 TRP 18 -7.191 3.750 -11.694 152 HE3 TRP 18 HE3 TRP 18 -3.414 0.051 -10.895 153 HZ2 TRP 18 HZ2 TRP 18 -4.787 4.837 -10.692 154 HZ3 TRP 18 HZ3 TRP 18 -1.864 1.787 -10.103 155 HH2 TRP 18 HH2 TRP 18 -2.536 4.129 -10.003 156 H MET 19 H MET 19 -6.162 -2.265 -15.393 157 HA MET 19 HA MET 19 -5.420 -4.936 -14.397 158 1HB MET 19 2HB MET 19 -7.292 -5.957 -15.496 159 2HB MET 19 1HB MET 19 -7.903 -4.666 -14.473 160 1HG MET 19 2HG MET 19 -8.312 -3.261 -16.331 161 2HG MET 19 1HG MET 19 -7.405 -4.317 -17.414 162 1HE MET 19 1HE MET 19 -8.205 -6.729 -18.134 163 2HE MET 19 2HE MET 19 -9.716 -7.467 -17.601 164 3HE MET 19 3HE MET 19 -8.413 -7.191 -16.445 165 H THR 20 H THR 20 -4.796 -2.567 -16.570 166 HA THR 20 HA THR 20 -4.238 -4.365 -18.799 167 HB THR 20 HB THR 20 -3.968 -1.354 -18.706 168 HG1 THR 20 HG1 THR 20 -6.052 -2.166 -20.174 169 1HG2 THR 20 1HG2 THR 20 -4.102 -1.549 -21.158 170 2HG2 THR 20 2HG2 THR 20 -4.111 -3.306 -21.003 171 3HG2 THR 20 3HG2 THR 20 -2.695 -2.383 -20.498 172 H ASN 21 H ASN 21 -2.498 -1.636 -17.272 173 HA ASN 21 HA ASN 21 0.024 -2.845 -18.087 174 1HB ASN 21 2HB ASN 21 1.052 -0.731 -17.350 175 2HB ASN 21 1HB ASN 21 -0.254 -0.455 -18.498 176 1HD2 ASN 21 1HD2 ASN 21 -2.022 0.674 -17.882 177 2HD2 ASN 21 2HD2 ASN 21 -2.175 1.433 -16.330 178 H ALA 22 H ALA 22 -1.949 -3.205 -15.539 179 HA ALA 22 HA ALA 22 -0.165 -3.006 -13.336 180 1HB ALA 22 1HB ALA 22 -2.599 -2.951 -13.063 181 2HB ALA 22 2HB ALA 22 -1.865 -4.227 -12.091 182 3HB ALA 22 3HB ALA 22 -2.695 -4.629 -13.595 183 H GLN 23 H GLN 23 1.622 -4.173 -13.219 184 HA GLN 23 HA GLN 23 1.584 -6.958 -14.132 185 1HB GLN 23 2HB GLN 23 3.406 -5.545 -15.014 186 2HB GLN 23 1HB GLN 23 3.932 -5.197 -13.372 187 1HG GLN 23 2HG GLN 23 4.318 -7.645 -13.062 188 2HG GLN 23 1HG GLN 23 3.981 -7.855 -14.779 189 1HE2 GLN 23 1HE2 GLN 23 6.037 -8.657 -15.183 190 2HE2 GLN 23 2HE2 GLN 23 7.434 -7.632 -15.187 191 H LEU 24 H LEU 24 1.227 -8.449 -12.643 192 HA LEU 24 HA LEU 24 1.366 -7.901 -9.857 193 1HB LEU 24 2HB LEU 24 -0.242 -9.503 -10.659 194 2HB LEU 24 1HB LEU 24 1.023 -10.484 -11.375 195 HG LEU 24 HG LEU 24 1.876 -11.053 -9.161 196 1HD1 LEU 24 1HD1 LEU 24 1.304 -9.004 -7.987 197 2HD1 LEU 24 2HD1 LEU 24 0.652 -10.410 -7.147 198 3HD1 LEU 24 3HD1 LEU 24 -0.411 -9.392 -8.117 199 1HD2 LEU 24 1HD2 LEU 24 0.012 -12.430 -8.413 200 2HD2 LEU 24 2HD2 LEU 24 0.157 -12.463 -10.170 201 3HD2 LEU 24 3HD2 LEU 24 -1.097 -11.487 -9.407 202 H LEU 25 H LEU 25 3.295 -7.463 -9.039 203 HA LEU 25 HA LEU 25 5.700 -8.786 -9.814 204 1HB LEU 25 2HB LEU 25 5.072 -7.111 -7.378 205 2HB LEU 25 1HB LEU 25 6.676 -7.612 -7.867 206 HG LEU 25 HG LEU 25 4.864 -5.796 -9.458 207 1HD1 LEU 25 1HD1 LEU 25 6.472 -4.046 -8.856 208 2HD1 LEU 25 2HD1 LEU 25 7.319 -5.192 -7.816 209 3HD1 LEU 25 3HD1 LEU 25 5.663 -4.713 -7.438 210 1HD2 LEU 25 1HD2 LEU 25 7.726 -6.631 -9.913 211 2HD2 LEU 25 2HD2 LEU 25 6.849 -5.419 -10.847 212 3HD2 LEU 25 3HD2 LEU 25 6.334 -7.105 -10.887 213 H GLY 26 H GLY 26 3.510 -8.962 -7.059 214 1HA GLY 26 2HA GLY 26 3.253 -11.585 -6.689 215 2HA GLY 26 1HA GLY 26 4.855 -11.312 -6.009 216 H ASP 27 H ASP 27 2.951 -12.263 -4.320 217 HA ASP 27 HA ASP 27 1.716 -10.057 -2.951 218 1HB ASP 27 2HB ASP 27 1.040 -11.662 -1.262 219 2HB ASP 27 1HB ASP 27 0.667 -12.255 -2.861 220 H PHE 28 H PHE 28 2.224 -9.263 -1.023 221 HA PHE 28 HA PHE 28 4.707 -9.982 0.267 222 1HB PHE 28 2HB PHE 28 5.572 -8.584 -1.508 223 2HB PHE 28 1HB PHE 28 4.407 -7.324 -1.136 224 HD1 PHE 28 HD1 PHE 28 5.527 -5.478 -0.403 225 HD2 PHE 28 HD2 PHE 28 6.729 -9.302 1.031 226 HE1 PHE 28 HE1 PHE 28 7.144 -4.401 1.096 227 HE2 PHE 28 HE2 PHE 28 8.352 -8.224 2.541 228 HZ PHE 28 HZ PHE 28 8.551 -5.762 2.571 229 H SER 29 H SER 29 3.795 -10.231 2.188 230 HA SER 29 HA SER 29 1.993 -8.219 3.248 231 1HB SER 29 2HB SER 29 3.034 -10.749 4.548 232 2HB SER 29 1HB SER 29 1.661 -9.777 5.080 233 HG SER 29 HG SER 29 1.505 -10.590 2.460 234 H ILE 30 H ILE 30 2.557 -6.719 4.775 235 HA ILE 30 HA ILE 30 5.397 -6.728 5.556 236 HB ILE 30 HB ILE 30 5.093 -4.219 5.813 237 1HG1 ILE 30 2HG1 ILE 30 2.634 -4.853 4.184 238 2HG1 ILE 30 1HG1 ILE 30 2.691 -4.053 5.749 239 1HG2 ILE 30 1HG2 ILE 30 5.494 -3.811 3.437 240 2HG2 ILE 30 2HG2 ILE 30 4.940 -5.445 3.072 241 3HG2 ILE 30 3HG2 ILE 30 6.395 -5.201 4.040 242 1HD1 ILE 30 1HD1 ILE 30 3.775 -2.132 4.768 243 2HD1 ILE 30 2HD1 ILE 30 2.281 -2.487 3.900 244 3HD1 ILE 30 3HD1 ILE 30 3.841 -2.934 3.200 245 H ASP 31 H ASP 31 5.848 -6.808 7.605 246 HA ASP 31 HA ASP 31 3.680 -6.768 9.526 247 1HB ASP 31 2HB ASP 31 5.727 -8.425 9.437 248 2HB ASP 31 1HB ASP 31 6.551 -7.136 10.305 249 H ASN 32 H ASN 32 4.067 -5.620 11.617 250 HA ASN 32 HA ASN 32 4.351 -3.725 12.824 251 1HB ASN 32 2HB ASN 32 6.579 -3.249 10.855 252 2HB ASN 32 1HB ASN 32 6.216 -2.131 12.160 253 1HD2 ASN 32 1HD2 ASN 32 6.015 -5.650 12.365 254 2HD2 ASN 32 2HD2 ASN 32 7.315 -5.831 13.485 255 H TYR 33 H TYR 33 2.574 -3.902 10.432 256 HA TYR 33 HA TYR 33 1.965 -1.027 10.425 257 1HB TYR 33 2HB TYR 33 1.744 -2.847 8.021 258 2HB TYR 33 1HB TYR 33 1.095 -1.227 8.105 259 HD1 TYR 33 HD1 TYR 33 4.088 -3.230 7.631 260 HD2 TYR 33 HD2 TYR 33 2.612 0.723 8.155 261 HE1 TYR 33 HE1 TYR 33 6.212 -2.331 6.782 262 HE2 TYR 33 HE2 TYR 33 4.734 1.632 7.314 263 HH TYR 33 HH TYR 33 7.052 -0.279 5.734 264 H GLN 34 H GLN 34 -0.268 -0.540 10.362 265 HA GLN 34 HA GLN 34 -2.044 -2.851 10.774 266 1HB GLN 34 2HB GLN 34 -1.944 -0.300 12.387 267 2HB GLN 34 1HB GLN 34 -3.277 -1.443 12.459 268 1HG GLN 34 2HG GLN 34 -1.742 -3.190 13.217 269 2HG GLN 34 1HG GLN 34 -0.407 -2.043 13.148 270 1HE2 GLN 34 1HE2 GLN 34 -1.392 -3.553 15.416 271 2HE2 GLN 34 2HE2 GLN 34 -1.843 -2.383 16.618 272 H LEU 35 H LEU 35 -4.283 -2.501 10.230 273 HA LEU 35 HA LEU 35 -4.528 -0.446 8.129 274 1HB LEU 35 2HB LEU 35 -4.542 -2.842 7.407 275 2HB LEU 35 1HB LEU 35 -6.013 -3.064 8.333 276 HG LEU 35 HG LEU 35 -7.059 -1.264 6.887 277 1HD1 LEU 35 1HD1 LEU 35 -6.015 -0.865 4.711 278 2HD1 LEU 35 2HD1 LEU 35 -4.593 -1.771 5.229 279 3HD1 LEU 35 3HD1 LEU 35 -5.018 -0.259 6.034 280 1HD2 LEU 35 1HD2 LEU 35 -6.122 -3.759 5.484 281 2HD2 LEU 35 2HD2 LEU 35 -7.546 -2.797 5.086 282 3HD2 LEU 35 3HD2 LEU 35 -7.472 -3.677 6.612 283 H TYR 36 H TYR 36 -6.077 1.027 8.282 284 HA TYR 36 HA TYR 36 -8.132 0.747 10.363 285 1HB TYR 36 2HB TYR 36 -7.387 3.172 8.710 286 2HB TYR 36 1HB TYR 36 -8.540 3.141 10.038 287 HD1 TYR 36 HD1 TYR 36 -7.714 2.726 12.360 288 HD2 TYR 36 HD2 TYR 36 -5.089 3.436 9.091 289 HE1 TYR 36 HE1 TYR 36 -5.900 3.262 13.939 290 HE2 TYR 36 HE2 TYR 36 -3.268 3.990 10.643 291 HH TYR 36 HH TYR 36 -3.428 3.308 13.964 292 H SER 37 H SER 37 -10.312 0.972 9.886 293 HA SER 37 HA SER 37 -11.011 1.252 7.044 294 1HB SER 37 2HB SER 37 -13.152 -0.035 7.781 295 2HB SER 37 1HB SER 37 -11.668 -0.948 7.508 296 HG SER 37 HG SER 37 -11.481 -1.312 9.605 297 H LEU 38 H LEU 38 -11.747 3.262 6.768 298 HA LEU 38 HA LEU 38 -13.036 4.561 9.052 299 1HB LEU 38 2HB LEU 38 -12.542 6.691 7.766 300 2HB LEU 38 1HB LEU 38 -11.187 5.842 8.474 301 HG LEU 38 HG LEU 38 -11.852 5.343 5.598 302 1HD1 LEU 38 1HD1 LEU 38 -10.465 7.246 4.948 303 2HD1 LEU 38 2HD1 LEU 38 -10.316 7.726 6.639 304 3HD1 LEU 38 3HD1 LEU 38 -11.887 7.782 5.841 305 1HD2 LEU 38 1HD2 LEU 38 -10.104 4.019 6.705 306 2HD2 LEU 38 2HD2 LEU 38 -9.264 5.504 7.153 307 3HD2 LEU 38 3HD2 LEU 38 -9.425 5.060 5.455 308 H GLY 39 H GLY 39 -14.225 2.836 6.766 309 1HA GLY 39 2HA GLY 39 -16.719 3.049 6.863 310 2HA GLY 39 1HA GLY 39 -16.471 4.706 6.332 311 H HIS 40 H HIS 40 -14.898 4.693 4.305 312 HA HIS 40 HA HIS 40 -16.147 2.880 2.356 313 1HB HIS 40 2HB HIS 40 -14.758 5.545 2.009 314 2HB HIS 40 1HB HIS 40 -15.253 4.531 0.663 315 HD1 HIS 40 HD1 HIS 40 -16.696 6.599 3.474 316 HD2 HIS 40 HD2 HIS 40 -17.876 4.753 -0.059 317 HE1 HIS 40 HE1 HIS 40 -19.031 7.419 3.028 318 HE2 HIS 40 HE2 HIS 40 -19.801 6.121 1.011 319 H TYR 41 H TYR 41 -13.161 4.664 2.148 320 HA TYR 41 HA TYR 41 -11.730 2.337 1.219 321 1HB TYR 41 2HB TYR 41 -9.862 4.305 1.296 322 2HB TYR 41 1HB TYR 41 -10.958 4.049 -0.058 323 HD1 TYR 41 HD1 TYR 41 -12.823 5.559 -0.458 324 HD2 TYR 41 HD2 TYR 41 -10.195 6.171 2.833 325 HE1 TYR 41 HE1 TYR 41 -13.716 7.827 -0.174 326 HE2 TYR 41 HE2 TYR 41 -11.092 8.443 3.128 327 HH TYR 41 HH TYR 41 -12.247 10.165 1.774 328 HA PRO 42 HA PRO 42 -9.614 1.797 5.105 329 1HB PRO 42 2HB PRO 42 -7.604 0.173 4.227 330 2HB PRO 42 1HB PRO 42 -9.277 -0.356 4.423 331 1HG PRO 42 2HG PRO 42 -7.756 0.031 1.977 332 2HG PRO 42 1HG PRO 42 -9.335 -0.732 2.196 333 1HD PRO 42 2HD PRO 42 -8.700 1.970 1.288 334 2HD PRO 42 1HD PRO 42 -10.244 1.097 1.217 335 H GLY 43 H GLY 43 -7.439 1.942 6.130 336 1HA GLY 43 2HA GLY 43 -5.535 3.669 4.698 337 2HA GLY 43 1HA GLY 43 -6.130 4.176 6.276 338 H ALA 44 H ALA 44 -3.363 3.580 5.604 339 HA ALA 44 HA ALA 44 -2.950 1.323 7.427 340 1HB ALA 44 1HB ALA 44 -1.602 1.569 4.742 341 2HB ALA 44 2HB ALA 44 -2.851 0.400 5.169 342 3HB ALA 44 3HB ALA 44 -1.275 0.333 5.956 343 H VAL 45 H VAL 45 -1.087 1.436 8.667 344 HA VAL 45 HA VAL 45 0.791 3.623 8.239 345 HB VAL 45 HB VAL 45 0.517 4.634 10.420 346 1HG1 VAL 45 1HG1 VAL 45 -2.101 4.526 8.938 347 2HG1 VAL 45 2HG1 VAL 45 -0.773 5.653 8.667 348 3HG1 VAL 45 3HG1 VAL 45 -1.684 5.713 10.174 349 1HG2 VAL 45 1HG2 VAL 45 -0.206 2.755 11.716 350 2HG2 VAL 45 2HG2 VAL 45 -1.726 2.666 10.829 351 3HG2 VAL 45 3HG2 VAL 45 -1.397 4.044 11.882 352 HA PRO 46 HA PRO 46 3.567 0.884 10.449 353 1HB PRO 46 2HB PRO 46 4.603 3.185 11.980 354 2HB PRO 46 1HB PRO 46 5.448 2.112 10.861 355 1HG PRO 46 2HG PRO 46 4.883 4.649 10.203 356 2HG PRO 46 1HG PRO 46 4.833 3.344 9.003 357 1HD PRO 46 2HD PRO 46 2.574 4.677 10.448 358 2HD PRO 46 1HD PRO 46 2.690 4.194 8.743 359 H GLY 47 H GLY 47 3.275 -0.359 12.172 360 1HA GLY 47 2HA GLY 47 2.669 0.595 14.782 361 2HA GLY 47 1HA GLY 47 1.222 -0.022 13.995 362 H ASN 48 H ASN 48 0.793 -2.042 14.586 363 HA ASN 48 HA ASN 48 2.974 -3.980 14.721 364 1HB ASN 48 2HB ASN 48 0.940 -3.542 16.920 365 2HB ASN 48 1HB ASN 48 2.008 -4.937 16.821 366 1HD2 ASN 48 1HD2 ASN 48 4.198 -4.686 17.277 367 2HD2 ASN 48 2HD2 ASN 48 4.815 -3.267 18.051 368 H GLY 49 H GLY 49 2.182 -4.852 12.812 369 1HA GLY 49 2HA GLY 49 0.330 -6.948 13.111 370 2HA GLY 49 1HA GLY 49 -0.474 -5.599 12.317 371 H THR 50 H THR 50 -0.218 -7.980 10.978 372 HA THR 50 HA THR 50 2.002 -7.495 9.101 373 HB THR 50 HB THR 50 0.402 -10.046 9.264 374 HG1 THR 50 HG1 THR 50 2.727 -9.301 10.764 375 1HG2 THR 50 1HG2 THR 50 1.762 -9.687 7.257 376 2HG2 THR 50 2HG2 THR 50 2.403 -11.011 8.229 377 3HG2 THR 50 3HG2 THR 50 3.185 -9.431 8.264 378 H VAL 51 H VAL 51 1.245 -6.262 7.440 379 HA VAL 51 HA VAL 51 -1.540 -6.454 6.660 380 HB VAL 51 HB VAL 51 0.691 -4.787 5.476 381 1HG1 VAL 51 1HG1 VAL 51 -1.111 -5.161 3.878 382 2HG1 VAL 51 2HG1 VAL 51 -1.098 -3.487 4.432 383 3HG1 VAL 51 3HG1 VAL 51 -2.293 -4.617 5.070 384 1HG2 VAL 51 1HG2 VAL 51 0.220 -4.213 7.799 385 2HG2 VAL 51 2HG2 VAL 51 -1.493 -4.036 7.415 386 3HG2 VAL 51 3HG2 VAL 51 -0.310 -2.933 6.708 387 H HIS 52 H HIS 52 -2.103 -8.131 5.509 388 HA HIS 52 HA HIS 52 -0.244 -9.567 3.847 389 1HB HIS 52 2HB HIS 52 -1.854 -10.746 5.264 390 2HB HIS 52 1HB HIS 52 -3.190 -9.983 4.417 391 HD1 HIS 52 HD1 HIS 52 -0.234 -12.198 3.441 392 HD2 HIS 52 HD2 HIS 52 -4.270 -11.643 2.621 393 HE1 HIS 52 HE1 HIS 52 -0.827 -13.972 1.765 394 HE2 HIS 52 HE2 HIS 52 -3.194 -13.443 1.083 395 H GLY 53 H GLY 53 0.009 -7.505 2.518 396 1HA GLY 53 2HA GLY 53 -2.185 -7.116 0.611 397 2HA GLY 53 1HA GLY 53 -0.859 -6.001 0.894 398 H GLU 54 H GLU 54 -1.048 -6.110 -1.528 399 HA GLU 54 HA GLU 54 0.781 -8.164 -2.566 400 1HB GLU 54 2HB GLU 54 -1.755 -8.511 -3.034 401 2HB GLU 54 1HB GLU 54 -1.578 -7.167 -4.146 402 1HG GLU 54 2HG GLU 54 -0.132 -8.375 -5.546 403 2HG GLU 54 1HG GLU 54 0.144 -9.611 -4.320 404 H VAL 55 H VAL 55 2.233 -7.384 -4.130 405 HA VAL 55 HA VAL 55 2.228 -4.438 -4.359 406 HB VAL 55 HB VAL 55 4.591 -6.315 -4.600 407 1HG1 VAL 55 1HG1 VAL 55 4.938 -4.306 -5.916 408 2HG1 VAL 55 2HG1 VAL 55 5.943 -4.244 -4.464 409 3HG1 VAL 55 3HG1 VAL 55 4.456 -3.299 -4.551 410 1HG2 VAL 55 1HG2 VAL 55 5.268 -5.462 -2.432 411 2HG2 VAL 55 2HG2 VAL 55 3.666 -6.193 -2.326 412 3HG2 VAL 55 3HG2 VAL 55 3.835 -4.440 -2.365 413 H TYR 56 H TYR 56 2.156 -3.468 -6.292 414 HA TYR 56 HA TYR 56 2.327 -5.184 -8.685 415 1HB TYR 56 2HB TYR 56 0.225 -3.221 -7.869 416 2HB TYR 56 1HB TYR 56 0.582 -3.419 -9.581 417 HD1 TYR 56 HD1 TYR 56 -0.416 -5.130 -10.783 418 HD2 TYR 56 HD2 TYR 56 -0.332 -5.354 -6.544 419 HE1 TYR 56 HE1 TYR 56 -1.858 -7.114 -10.871 420 HE2 TYR 56 HE2 TYR 56 -1.781 -7.332 -6.611 421 HH TYR 56 HH TYR 56 -2.906 -8.742 -7.868 422 H ARG 57 H ARG 57 3.102 -4.292 -10.553 423 HA ARG 57 HA ARG 57 4.355 -1.637 -10.325 424 1HB ARG 57 2HB ARG 57 5.872 -3.529 -10.897 425 2HB ARG 57 1HB ARG 57 4.906 -3.836 -12.335 426 1HG ARG 57 2HG ARG 57 5.610 -1.108 -12.395 427 2HG ARG 57 1HG ARG 57 7.067 -2.006 -11.968 428 1HD ARG 57 2HD ARG 57 6.937 -1.785 -14.366 429 2HD ARG 57 1HD ARG 57 6.694 -3.472 -13.920 430 HE ARG 57 HE ARG 57 4.168 -2.516 -14.087 431 1HH1 ARG 57 1HH1 ARG 57 6.907 -2.443 -16.267 432 2HH1 ARG 57 2HH1 ARG 57 5.931 -2.442 -17.707 433 1HH2 ARG 57 1HH2 ARG 57 2.872 -2.507 -15.978 434 2HH2 ARG 57 2HH2 ARG 57 3.640 -2.472 -17.539 435 H ILE 58 H ILE 58 2.877 -0.189 -11.026 436 HA ILE 58 HA ILE 58 1.540 -0.785 -13.569 437 HB ILE 58 HB ILE 58 -0.058 1.074 -12.919 438 1HG1 ILE 58 2HG1 ILE 58 -0.190 1.088 -10.253 439 2HG1 ILE 58 1HG1 ILE 58 1.550 0.876 -10.419 440 1HG2 ILE 58 1HG2 ILE 58 -0.725 -1.230 -12.854 441 2HG2 ILE 58 2HG2 ILE 58 -1.382 -0.398 -11.445 442 3HG2 ILE 58 3HG2 ILE 58 0.029 -1.444 -11.275 443 1HD1 ILE 58 1HD1 ILE 58 1.000 3.211 -10.177 444 2HD1 ILE 58 2HD1 ILE 58 -0.092 3.122 -11.560 445 3HD1 ILE 58 3HD1 ILE 58 1.642 2.906 -11.793 446 H ASP 59 H ASP 59 1.179 1.098 -14.976 447 HA ASP 59 HA ASP 59 3.530 2.335 -15.748 448 1HB ASP 59 2HB ASP 59 1.804 2.183 -17.332 449 2HB ASP 59 1HB ASP 59 0.637 2.966 -16.269 450 H ASN 60 H ASN 60 4.354 4.445 -15.586 451 HA ASN 60 HA ASN 60 4.173 5.558 -12.993 452 1HB ASN 60 2HB ASN 60 5.599 7.407 -13.924 453 2HB ASN 60 1HB ASN 60 6.249 5.791 -14.146 454 1HD2 ASN 60 1HD2 ASN 60 6.430 4.950 -16.191 455 2HD2 ASN 60 2HD2 ASN 60 6.237 5.921 -17.613 456 H ALA 61 H ALA 61 2.812 6.594 -16.116 457 HA ALA 61 HA ALA 61 1.748 9.044 -15.149 458 1HB ALA 61 1HB ALA 61 0.421 9.067 -17.198 459 2HB ALA 61 2HB ALA 61 0.841 7.381 -17.501 460 3HB ALA 61 3HB ALA 61 2.093 8.622 -17.540 461 H THR 62 H THR 62 0.497 5.781 -15.442 462 HA THR 62 HA THR 62 -2.112 6.152 -14.557 463 HB THR 62 HB THR 62 -0.293 3.803 -13.967 464 HG1 THR 62 HG1 THR 62 -0.563 4.416 -16.246 465 1HG2 THR 62 1HG2 THR 62 -2.370 2.508 -13.866 466 2HG2 THR 62 2HG2 THR 62 -3.304 3.987 -14.094 467 3HG2 THR 62 3HG2 THR 62 -2.340 3.768 -12.632 468 H LEU 63 H LEU 63 0.882 6.189 -12.764 469 HA LEU 63 HA LEU 63 -0.205 5.899 -10.149 470 1HB LEU 63 2HB LEU 63 2.187 5.572 -10.541 471 2HB LEU 63 1HB LEU 63 2.351 7.243 -11.056 472 HG LEU 63 HG LEU 63 1.449 7.794 -8.675 473 1HD1 LEU 63 1HD1 LEU 63 0.826 5.565 -8.019 474 2HD1 LEU 63 2HD1 LEU 63 2.132 6.142 -6.985 475 3HD1 LEU 63 3HD1 LEU 63 2.474 4.994 -8.280 476 1HD2 LEU 63 1HD2 LEU 63 4.239 6.728 -9.017 477 2HD2 LEU 63 2HD2 LEU 63 3.691 7.886 -7.807 478 3HD2 LEU 63 3HD2 LEU 63 3.692 8.328 -9.514 479 H ALA 64 H ALA 64 0.813 8.681 -12.086 480 HA ALA 64 HA ALA 64 -0.002 10.706 -10.348 481 1HB ALA 64 1HB ALA 64 0.007 10.762 -13.364 482 2HB ALA 64 2HB ALA 64 1.390 11.103 -12.326 483 3HB ALA 64 3HB ALA 64 -0.017 12.166 -12.298 484 H GLU 65 H GLU 65 -1.829 8.687 -12.536 485 HA GLU 65 HA GLU 65 -4.206 10.259 -12.537 486 1HB GLU 65 2HB GLU 65 -3.786 8.541 -14.236 487 2HB GLU 65 1HB GLU 65 -3.838 7.290 -13.003 488 1HG GLU 65 2HG GLU 65 -6.183 7.776 -12.585 489 2HG GLU 65 1HG GLU 65 -6.137 9.075 -13.775 490 H LEU 66 H LEU 66 -3.151 7.462 -10.639 491 HA LEU 66 HA LEU 66 -5.443 7.256 -9.022 492 1HB LEU 66 2HB LEU 66 -3.861 5.436 -9.230 493 2HB LEU 66 1HB LEU 66 -2.585 6.414 -8.536 494 HG LEU 66 HG LEU 66 -4.994 5.925 -6.852 495 1HD1 LEU 66 1HD1 LEU 66 -4.572 3.724 -7.808 496 2HD1 LEU 66 2HD1 LEU 66 -4.085 3.771 -6.113 497 3HD1 LEU 66 3HD1 LEU 66 -2.865 3.855 -7.385 498 1HD2 LEU 66 1HD2 LEU 66 -3.289 5.824 -5.098 499 2HD2 LEU 66 2HD2 LEU 66 -3.155 7.309 -6.040 500 3HD2 LEU 66 3HD2 LEU 66 -2.025 5.983 -6.317 501 H ASP 67 H ASP 67 -2.356 8.930 -8.516 502 HA ASP 67 HA ASP 67 -2.842 9.784 -5.882 503 1HB ASP 67 2HB ASP 67 -0.625 9.799 -7.066 504 2HB ASP 67 1HB ASP 67 -1.173 11.214 -7.954 505 H ALA 68 H ALA 68 -3.320 11.415 -8.977 506 HA ALA 68 HA ALA 68 -4.243 13.861 -7.961 507 1HB ALA 68 1HB ALA 68 -3.409 13.506 -10.247 508 2HB ALA 68 2HB ALA 68 -4.975 14.321 -10.215 509 3HB ALA 68 3HB ALA 68 -4.879 12.605 -10.624 510 H LEU 69 H LEU 69 -5.870 10.834 -8.530 511 HA LEU 69 HA LEU 69 -8.495 12.008 -8.255 512 1HB LEU 69 2HB LEU 69 -7.432 9.271 -8.739 513 2HB LEU 69 1HB LEU 69 -9.057 9.432 -8.096 514 HG LEU 69 HG LEU 69 -8.079 10.688 -10.660 515 1HD1 LEU 69 1HD1 LEU 69 -9.868 8.302 -10.202 516 2HD1 LEU 69 2HD1 LEU 69 -8.226 8.261 -10.846 517 3HD1 LEU 69 3HD1 LEU 69 -9.513 9.044 -11.763 518 1HD2 LEU 69 1HD2 LEU 69 -9.810 11.990 -9.569 519 2HD2 LEU 69 2HD2 LEU 69 -10.808 10.549 -9.389 520 3HD2 LEU 69 3HD2 LEU 69 -10.464 11.187 -10.998 521 H ARG 70 H ARG 70 -6.180 10.402 -6.212 522 HA ARG 70 HA ARG 70 -8.190 9.746 -4.244 523 1HB ARG 70 2HB ARG 70 -6.343 8.191 -4.727 524 2HB ARG 70 1HB ARG 70 -5.193 9.383 -4.139 525 1HG ARG 70 2HG ARG 70 -6.195 9.253 -1.915 526 2HG ARG 70 1HG ARG 70 -7.346 8.052 -2.506 527 1HD ARG 70 2HD ARG 70 -4.348 7.784 -2.338 528 2HD ARG 70 1HD ARG 70 -5.553 6.922 -1.381 529 HE ARG 70 HE ARG 70 -5.515 6.577 -4.292 530 1HH1 ARG 70 1HH1 ARG 70 -5.095 5.248 -1.083 531 2HH1 ARG 70 2HH1 ARG 70 -5.037 3.609 -1.629 532 1HH2 ARG 70 1HH2 ARG 70 -5.425 4.405 -5.012 533 2HH2 ARG 70 2HH2 ARG 70 -5.199 3.126 -3.860 534 H THR 71 H THR 71 -5.313 11.875 -4.359 535 HA THR 71 HA THR 71 -6.207 12.950 -1.760 536 HB THR 71 HB THR 71 -4.125 11.615 -1.619 537 HG1 THR 71 HG1 THR 71 -2.933 13.877 -0.931 538 1HG2 THR 71 1HG2 THR 71 -2.970 13.781 -3.371 539 2HG2 THR 71 2HG2 THR 71 -3.167 12.081 -3.798 540 3HG2 THR 71 3HG2 THR 71 -2.033 12.546 -2.529 541 H ARG 72 H ARG 72 -6.764 13.886 -4.570 542 HA ARG 72 HA ARG 72 -5.422 16.315 -5.018 543 1HB ARG 72 2HB ARG 72 -6.757 15.387 -6.756 544 2HB ARG 72 1HB ARG 72 -8.204 15.431 -5.774 545 1HG ARG 72 2HG ARG 72 -8.468 17.708 -6.041 546 2HG ARG 72 1HG ARG 72 -6.765 17.961 -6.431 547 1HD ARG 72 2HD ARG 72 -8.646 16.426 -8.213 548 2HD ARG 72 1HD ARG 72 -8.390 18.165 -8.362 549 HE ARG 72 HE ARG 72 -5.881 17.008 -8.398 550 1HH1 ARG 72 1HH1 ARG 72 -8.775 16.752 -10.371 551 2HH1 ARG 72 2HH1 ARG 72 -7.885 16.512 -11.838 552 1HH2 ARG 72 1HH2 ARG 72 -4.731 16.680 -10.327 553 2HH2 ARG 72 2HH2 ARG 72 -5.601 16.473 -11.827 554 H GLY 73 H GLY 73 -5.169 17.652 -3.382 555 1HA GLY 73 2HA GLY 73 -6.358 19.639 -2.478 556 2HA GLY 73 1HA GLY 73 -7.598 18.504 -1.964 557 H GLY 74 H GLY 74 -5.374 16.526 -1.332 558 1HA GLY 74 2HA GLY 74 -3.640 16.407 0.344 559 2HA GLY 74 1HA GLY 74 -4.358 17.811 1.123 560 H GLU 75 H GLU 75 -4.828 14.385 0.427 561 HA GLU 75 HA GLU 75 -6.685 14.259 2.713 562 1HB GLU 75 2HB GLU 75 -7.628 13.536 0.540 563 2HB GLU 75 1HB GLU 75 -6.377 12.308 0.424 564 1HG GLU 75 2HG GLU 75 -8.421 11.301 1.152 565 2HG GLU 75 1HG GLU 75 -7.254 11.265 2.470 566 H TYR 76 H TYR 76 -3.977 12.566 1.136 567 HA TYR 76 HA TYR 76 -3.288 11.410 3.753 568 1HB TYR 76 2HB TYR 76 -3.205 9.948 1.104 569 2HB TYR 76 1HB TYR 76 -2.607 9.316 2.633 570 HD1 TYR 76 HD1 TYR 76 -4.427 9.359 4.587 571 HD2 TYR 76 HD2 TYR 76 -5.297 9.304 0.425 572 HE1 TYR 76 HE1 TYR 76 -6.651 8.432 5.071 573 HE2 TYR 76 HE2 TYR 76 -7.527 8.387 0.894 574 HH TYR 76 HH TYR 76 -8.874 8.337 3.993 575 H ALA 77 H ALA 77 -0.994 10.465 3.671 576 HA ALA 77 HA ALA 77 0.714 12.269 2.090 577 1HB ALA 77 1HB ALA 77 1.393 10.825 4.650 578 2HB ALA 77 2HB ALA 77 0.976 12.532 4.513 579 3HB ALA 77 3HB ALA 77 2.449 11.921 3.760 580 H ARG 78 H ARG 78 2.600 11.394 1.129 581 HA ARG 78 HA ARG 78 2.190 8.634 0.266 582 1HB ARG 78 2HB ARG 78 4.142 10.709 -0.742 583 2HB ARG 78 1HB ARG 78 3.832 9.142 -1.475 584 1HG ARG 78 2HG ARG 78 1.559 9.813 -1.997 585 2HG ARG 78 1HG ARG 78 1.826 11.372 -1.209 586 1HD ARG 78 2HD ARG 78 3.713 11.742 -2.817 587 2HD ARG 78 1HD ARG 78 3.176 10.303 -3.678 588 HE ARG 78 HE ARG 78 1.047 11.491 -4.073 589 1HH1 ARG 78 1HH1 ARG 78 3.911 13.342 -3.239 590 2HH1 ARG 78 2HH1 ARG 78 3.340 14.802 -3.995 591 1HH2 ARG 78 1HH2 ARG 78 0.293 13.400 -5.055 592 2HH2 ARG 78 2HH2 ARG 78 1.271 14.843 -4.994 593 H GLN 79 H GLN 79 3.116 7.136 1.477 594 HA GLN 79 HA GLN 79 5.773 7.648 2.627 595 1HB GLN 79 2HB GLN 79 3.860 6.823 4.099 596 2HB GLN 79 1HB GLN 79 3.937 5.317 3.201 597 1HG GLN 79 2HG GLN 79 6.279 5.042 3.899 598 2HG GLN 79 1HG GLN 79 6.148 6.515 4.856 599 1HE2 GLN 79 1HE2 GLN 79 3.602 4.133 4.519 600 2HE2 GLN 79 2HE2 GLN 79 3.639 3.587 6.156 601 H LEU 80 H LEU 80 7.264 7.118 1.128 602 HA LEU 80 HA LEU 80 6.803 4.931 -0.696 603 1HB LEU 80 2HB LEU 80 7.975 6.968 -1.437 604 2HB LEU 80 1HB LEU 80 9.269 6.628 -0.302 605 HG LEU 80 HG LEU 80 9.742 4.520 -1.514 606 1HD1 LEU 80 1HD1 LEU 80 7.520 4.145 -2.450 607 2HD1 LEU 80 2HD1 LEU 80 8.748 4.162 -3.716 608 3HD1 LEU 80 3HD1 LEU 80 7.706 5.566 -3.479 609 1HD2 LEU 80 1HD2 LEU 80 10.984 6.561 -2.027 610 2HD2 LEU 80 2HD2 LEU 80 9.767 7.003 -3.225 611 3HD2 LEU 80 3HD2 LEU 80 10.764 5.567 -3.468 612 H ILE 81 H ILE 81 7.130 2.919 -0.141 613 HA ILE 81 HA ILE 81 9.141 2.349 1.926 614 HB ILE 81 HB ILE 81 7.902 0.201 2.266 615 1HG1 ILE 81 2HG1 ILE 81 5.763 1.559 0.619 616 2HG1 ILE 81 1HG1 ILE 81 6.749 0.231 0.037 617 1HG2 ILE 81 1HG2 ILE 81 7.609 2.023 3.801 618 2HG2 ILE 81 2HG2 ILE 81 6.033 1.281 3.512 619 3HG2 ILE 81 3HG2 ILE 81 6.452 2.803 2.723 620 1HD1 ILE 81 1HD1 ILE 81 4.861 0.106 2.374 621 2HD1 ILE 81 2HD1 ILE 81 5.823 -1.230 1.739 622 3HD1 ILE 81 3HD1 ILE 81 4.546 -0.515 0.753 623 H GLN 82 H GLN 82 10.735 0.949 1.540 624 HA GLN 82 HA GLN 82 11.222 0.314 -1.257 625 1HB GLN 82 2HB GLN 82 12.850 1.265 0.654 626 2HB GLN 82 1HB GLN 82 13.130 -0.449 0.907 627 1HG GLN 82 2HG GLN 82 13.653 1.160 -1.575 628 2HG GLN 82 1HG GLN 82 14.829 0.365 -0.531 629 1HE2 GLN 82 1HE2 GLN 82 12.586 0.019 -3.101 630 2HE2 GLN 82 2HE2 GLN 82 12.962 -1.623 -3.504 631 H THR 83 H THR 83 10.055 -1.529 -1.850 632 HA THR 83 HA THR 83 10.236 -3.843 -0.050 633 HB THR 83 HB THR 83 8.387 -4.768 -1.092 634 HG1 THR 83 HG1 THR 83 8.710 -3.137 -3.405 635 1HG2 THR 83 1HG2 THR 83 7.699 -2.652 -0.090 636 2HG2 THR 83 2HG2 THR 83 6.732 -3.006 -1.522 637 3HG2 THR 83 3HG2 THR 83 8.028 -1.815 -1.608 638 HA PRO 84 HA PRO 84 13.286 -5.997 -2.448 639 1HB PRO 84 2HB PRO 84 11.531 -8.381 -2.510 640 2HB PRO 84 1HB PRO 84 13.159 -8.200 -1.849 641 1HG PRO 84 2HG PRO 84 11.039 -8.407 -0.242 642 2HG PRO 84 1HG PRO 84 12.394 -7.336 0.157 643 1HD PRO 84 2HD PRO 84 9.705 -6.652 -0.970 644 2HD PRO 84 1HD PRO 84 10.664 -5.799 0.258 645 H TYR 85 H TYR 85 10.062 -5.704 -3.555 646 HA TYR 85 HA TYR 85 10.772 -6.597 -6.260 647 1HB TYR 85 2HB TYR 85 8.059 -5.888 -5.109 648 2HB TYR 85 1HB TYR 85 8.360 -6.544 -6.714 649 HD1 TYR 85 HD1 TYR 85 9.030 -8.894 -6.987 650 HD2 TYR 85 HD2 TYR 85 8.093 -7.298 -3.157 651 HE1 TYR 85 HE1 TYR 85 8.832 -11.175 -6.091 652 HE2 TYR 85 HE2 TYR 85 7.902 -9.575 -2.247 653 HH TYR 85 HH TYR 85 8.922 -12.349 -4.020 654 H GLY 86 H GLY 86 11.147 -3.949 -4.550 655 1HA GLY 86 2HA GLY 86 11.897 -1.990 -5.862 656 2HA GLY 86 1HA GLY 86 10.392 -2.138 -6.757 657 H SER 87 H SER 87 11.349 0.172 -5.300 658 HA SER 87 HA SER 87 10.001 0.427 -2.838 659 1HB SER 87 2HB SER 87 10.701 2.632 -4.764 660 2HB SER 87 1HB SER 87 10.513 2.759 -3.020 661 HG SER 87 HG SER 87 12.734 2.626 -3.861 662 H ALA 88 H ALA 88 7.925 0.783 -2.396 663 HA ALA 88 HA ALA 88 6.123 1.435 -4.639 664 1HB ALA 88 1HB ALA 88 5.572 -0.415 -2.321 665 2HB ALA 88 2HB ALA 88 5.900 -0.908 -3.983 666 3HB ALA 88 3HB ALA 88 4.437 0.001 -3.605 667 H TRP 89 H TRP 89 4.368 2.760 -4.196 668 HA TRP 89 HA TRP 89 4.760 4.567 -1.983 669 1HB TRP 89 2HB TRP 89 2.790 4.539 -4.271 670 2HB TRP 89 1HB TRP 89 2.804 5.780 -3.026 671 HD1 TRP 89 HD1 TRP 89 4.357 4.896 -6.271 672 HE1 TRP 89 HE1 TRP 89 6.187 6.604 -6.842 673 HE3 TRP 89 HE3 TRP 89 4.733 7.255 -1.754 674 HZ2 TRP 89 HZ2 TRP 89 7.617 8.675 -5.563 675 HZ3 TRP 89 HZ3 TRP 89 6.356 9.088 -1.509 676 HH2 TRP 89 HH2 TRP 89 7.769 9.783 -3.374 677 H MET 90 H MET 90 3.858 4.387 -0.091 678 HA MET 90 HA MET 90 1.316 2.923 0.214 679 1HB MET 90 2HB MET 90 3.413 2.160 1.461 680 2HB MET 90 1HB MET 90 3.297 3.656 2.379 681 1HG MET 90 2HG MET 90 1.124 2.985 3.227 682 2HG MET 90 1HG MET 90 1.195 1.503 2.273 683 1HE MET 90 1HE MET 90 0.594 1.315 5.316 684 2HE MET 90 2HE MET 90 1.704 0.048 5.840 685 3HE MET 90 3HE MET 90 0.846 -0.110 4.308 686 H TYR 91 H TYR 91 -0.458 4.128 0.777 687 HA TYR 91 HA TYR 91 -0.006 6.941 1.412 688 1HB TYR 91 2HB TYR 91 -2.445 5.415 0.525 689 2HB TYR 91 1HB TYR 91 -2.562 7.055 1.153 690 HD1 TYR 91 HD1 TYR 91 -1.552 8.936 -0.088 691 HD2 TYR 91 HD2 TYR 91 -1.569 4.982 -1.671 692 HE1 TYR 91 HE1 TYR 91 -1.044 9.834 -2.324 693 HE2 TYR 91 HE2 TYR 91 -1.069 5.872 -3.907 694 HH TYR 91 HH TYR 91 -0.372 9.285 -4.428 695 H VAL 92 H VAL 92 0.016 7.619 3.406 696 HA VAL 92 HA VAL 92 -1.127 5.922 5.508 697 HB VAL 92 HB VAL 92 1.175 7.810 5.407 698 1HG1 VAL 92 1HG1 VAL 92 -0.196 8.799 7.186 699 2HG1 VAL 92 2HG1 VAL 92 1.250 8.028 7.835 700 3HG1 VAL 92 3HG1 VAL 92 -0.312 7.222 7.967 701 1HG2 VAL 92 1HG2 VAL 92 0.657 5.226 6.859 702 2HG2 VAL 92 2HG2 VAL 92 2.208 6.062 6.731 703 3HG2 VAL 92 3HG2 VAL 92 1.452 5.388 5.288 704 H TYR 93 H TYR 93 -2.525 6.568 6.932 705 HA TYR 93 HA TYR 93 -4.457 8.439 6.514 706 1HB TYR 93 2HB TYR 93 -5.225 7.412 8.346 707 2HB TYR 93 1HB TYR 93 -3.675 6.631 8.534 708 HD1 TYR 93 HD1 TYR 93 -5.587 9.661 9.535 709 HD2 TYR 93 HD2 TYR 93 -2.265 7.132 10.347 710 HE1 TYR 93 HE1 TYR 93 -5.210 10.843 11.656 711 HE2 TYR 93 HE2 TYR 93 -1.884 8.305 12.476 712 HH TYR 93 HH TYR 93 -2.378 10.555 13.459 713 H GLN 94 H GLN 94 -4.567 10.611 6.611 714 HA GLN 94 HA GLN 94 -2.372 11.996 7.986 715 1HB GLN 94 2HB GLN 94 -2.557 11.870 5.314 716 2HB GLN 94 1HB GLN 94 -3.574 13.276 5.599 717 1HG GLN 94 2HG GLN 94 -1.219 13.841 5.132 718 2HG GLN 94 1HG GLN 94 -1.783 14.427 6.694 719 1HE2 GLN 94 1HE2 GLN 94 -0.976 11.070 6.099 720 2HE2 GLN 94 2HE2 GLN 94 0.438 11.041 7.082 721 H ARG 95 H ARG 95 -5.555 11.430 8.096 722 HA ARG 95 HA ARG 95 -6.029 13.946 9.504 723 1HB ARG 95 2HB ARG 95 -8.017 12.660 7.614 724 2HB ARG 95 1HB ARG 95 -8.355 14.028 8.667 725 1HG ARG 95 2HG ARG 95 -6.418 15.189 7.456 726 2HG ARG 95 1HG ARG 95 -6.586 13.914 6.251 727 1HD ARG 95 2HD ARG 95 -8.777 15.788 7.135 728 2HD ARG 95 1HD ARG 95 -7.829 15.951 5.659 729 HE ARG 95 HE ARG 95 -8.807 13.592 5.191 730 1HH1 ARG 95 1HH1 ARG 95 -10.460 16.236 6.812 731 2HH1 ARG 95 2HH1 ARG 95 -12.024 15.789 6.195 732 1HH2 ARG 95 1HH2 ARG 95 -10.863 13.017 4.404 733 2HH2 ARG 95 2HH2 ARG 95 -12.253 13.965 4.843 734 HA PRO 96 HA PRO 96 -6.760 11.907 13.202 735 1HB PRO 96 2HB PRO 96 -9.575 12.738 13.215 736 2HB PRO 96 1HB PRO 96 -8.276 13.137 14.337 737 1HG PRO 96 2HG PRO 96 -9.271 14.677 12.104 738 2HG PRO 96 1HG PRO 96 -8.072 15.139 13.321 739 1HD PRO 96 2HD PRO 96 -7.482 14.752 10.681 740 2HD PRO 96 1HD PRO 96 -6.308 14.514 11.992 741 H VAL 97 H VAL 97 -7.014 9.851 13.629 742 HA VAL 97 HA VAL 97 -8.949 8.229 12.162 743 HB VAL 97 HB VAL 97 -7.868 6.306 13.360 744 1HG1 VAL 97 1HG1 VAL 97 -7.162 6.905 11.125 745 2HG1 VAL 97 2HG1 VAL 97 -5.779 6.380 12.084 746 3HG1 VAL 97 3HG1 VAL 97 -6.037 8.097 11.777 747 1HG2 VAL 97 1HG2 VAL 97 -5.723 6.705 14.485 748 2HG2 VAL 97 2HG2 VAL 97 -7.067 7.474 15.328 749 3HG2 VAL 97 3HG2 VAL 97 -5.979 8.444 14.335 750 H ASP 98 H ASP 98 -9.509 10.171 14.469 751 HA ASP 98 HA ASP 98 -10.321 8.737 16.728 752 1HB ASP 98 2HB ASP 98 -10.069 11.159 16.766 753 2HB ASP 98 1HB ASP 98 -11.389 11.338 15.615 754 H GLY 99 H GLY 99 -11.680 7.085 16.701 755 1HA GLY 99 2HA GLY 99 -13.853 6.211 16.713 756 2HA GLY 99 1HA GLY 99 -14.370 7.527 15.672 757 H LEU 100 H LEU 100 -11.536 5.718 14.784 758 HA LEU 100 HA LEU 100 -13.058 4.574 12.560 759 1HB LEU 100 2HB LEU 100 -10.074 4.768 12.962 760 2HB LEU 100 1HB LEU 100 -10.865 4.109 11.543 761 HG LEU 100 HG LEU 100 -10.827 6.976 12.462 762 1HD1 LEU 100 1HD1 LEU 100 -8.881 6.214 11.202 763 2HD1 LEU 100 2HD1 LEU 100 -9.837 7.363 10.269 764 3HD1 LEU 100 3HD1 LEU 100 -9.935 5.639 9.911 765 1HD2 LEU 100 1HD2 LEU 100 -12.276 7.457 10.539 766 2HD2 LEU 100 2HD2 LEU 100 -13.081 6.463 11.753 767 3HD2 LEU 100 3HD2 LEU 100 -12.469 5.724 10.276 768 H LYS 101 H LYS 101 -12.359 2.362 11.831 769 HA LYS 101 HA LYS 101 -12.097 0.620 14.171 770 1HB LYS 101 2HB LYS 101 -13.007 0.081 11.348 771 2HB LYS 101 1HB LYS 101 -12.728 -1.194 12.527 772 1HG LYS 101 2HG LYS 101 -14.452 -0.310 13.956 773 2HG LYS 101 1HG LYS 101 -14.675 1.073 12.882 774 1HD LYS 101 2HD LYS 101 -15.074 -1.789 12.025 775 2HD LYS 101 1HD LYS 101 -16.375 -0.761 12.632 776 1HE LYS 101 2HE LYS 101 -14.654 -0.196 10.218 777 2HE LYS 101 1HE LYS 101 -16.317 -0.784 10.186 778 1HZ LYS 101 1HZ LYS 101 -15.334 1.863 11.085 779 2HZ LYS 101 2HZ LYS 101 -16.876 1.293 11.485 780 3HZ LYS 101 3HZ LYS 101 -16.454 1.520 9.857 781 H LEU 102 H LEU 102 -10.515 -0.907 14.349 782 HA LEU 102 HA LEU 102 -8.209 -0.490 12.562 783 1HB LEU 102 2HB LEU 102 -7.683 0.475 14.656 784 2HB LEU 102 1HB LEU 102 -8.362 -0.873 15.540 785 HG LEU 102 HG LEU 102 -6.497 -2.302 14.717 786 1HD1 LEU 102 1HD1 LEU 102 -4.547 -1.242 13.731 787 2HD1 LEU 102 2HD1 LEU 102 -5.394 0.303 13.680 788 3HD1 LEU 102 3HD1 LEU 102 -5.958 -1.048 12.693 789 1HD2 LEU 102 1HD2 LEU 102 -4.802 -1.350 16.178 790 2HD2 LEU 102 2HD2 LEU 102 -6.402 -1.234 16.911 791 3HD2 LEU 102 3HD2 LEU 102 -5.656 0.191 16.185 792 H ILE 103 H ILE 103 -7.548 -2.196 11.479 793 HA ILE 103 HA ILE 103 -8.172 -4.875 12.481 794 HB ILE 103 HB ILE 103 -7.030 -4.152 9.769 795 1HG1 ILE 103 2HG1 ILE 103 -9.906 -4.762 10.502 796 2HG1 ILE 103 1HG1 ILE 103 -9.284 -3.179 10.042 797 1HG2 ILE 103 1HG2 ILE 103 -7.596 -6.402 9.147 798 2HG2 ILE 103 2HG2 ILE 103 -8.377 -6.685 10.701 799 3HG2 ILE 103 3HG2 ILE 103 -6.631 -6.454 10.622 800 1HD1 ILE 103 1HD1 ILE 103 -9.376 -5.632 8.293 801 2HD1 ILE 103 2HD1 ILE 103 -8.707 -4.067 7.831 802 3HD1 ILE 103 3HD1 ILE 103 -10.427 -4.218 8.184 803 H GLU 104 H GLU 104 -6.624 -4.907 14.095 804 HA GLU 104 HA GLU 104 -3.897 -4.238 13.710 805 1HB GLU 104 2HB GLU 104 -3.504 -5.272 15.872 806 2HB GLU 104 1HB GLU 104 -4.954 -4.285 15.936 807 1HG GLU 104 2HG GLU 104 -4.949 -7.274 15.597 808 2HG GLU 104 1HG GLU 104 -5.134 -6.443 17.139 809 H SER 105 H SER 105 -5.736 -6.854 12.690 810 HA SER 105 HA SER 105 -3.751 -8.894 12.735 811 1HB SER 105 2HB SER 105 -6.151 -9.418 12.490 812 2HB SER 105 1HB SER 105 -6.169 -8.601 10.928 813 HG SER 105 HG SER 105 -5.880 -11.026 11.038 814 H GLY 106 H GLY 106 -4.920 -6.699 10.197 815 1HA GLY 106 2HA GLY 106 -3.326 -5.525 8.817 816 2HA GLY 106 1HA GLY 106 -2.291 -6.939 8.899 817 H ASP 107 H ASP 107 -5.027 -8.455 8.531 818 HA ASP 107 HA ASP 107 -4.986 -8.229 5.605 819 1HB ASP 107 2HB ASP 107 -4.408 -10.464 6.436 820 2HB ASP 107 1HB ASP 107 -5.935 -10.546 7.305 821 H TRP 108 H TRP 108 -6.930 -8.327 4.461 822 HA TRP 108 HA TRP 108 -8.902 -6.555 5.522 823 1HB TRP 108 2HB TRP 108 -9.683 -7.900 3.071 824 2HB TRP 108 1HB TRP 108 -9.306 -6.203 3.328 825 HD1 TRP 108 HD1 TRP 108 -8.044 -9.194 1.618 826 HE1 TRP 108 HE1 TRP 108 -5.621 -8.799 0.786 827 HE3 TRP 108 HE3 TRP 108 -6.990 -4.954 4.212 828 HZ2 TRP 108 HZ2 TRP 108 -3.543 -6.916 1.211 829 HZ3 TRP 108 HZ3 TRP 108 -4.790 -3.925 3.989 830 HH2 TRP 108 HH2 TRP 108 -3.087 -4.882 2.510 831 H LEU 109 H LEU 109 -8.580 -9.957 5.056 832 HA LEU 109 HA LEU 109 -11.446 -10.386 5.358 833 1HB LEU 109 2HB LEU 109 -9.239 -12.235 4.457 834 2HB LEU 109 1HB LEU 109 -10.948 -12.649 4.509 835 HG LEU 109 HG LEU 109 -10.080 -10.261 2.936 836 1HD1 LEU 109 1HD1 LEU 109 -9.759 -11.652 0.969 837 2HD1 LEU 109 2HD1 LEU 109 -9.916 -13.103 1.963 838 3HD1 LEU 109 3HD1 LEU 109 -8.562 -11.998 2.214 839 1HD2 LEU 109 1HD2 LEU 109 -12.004 -10.892 1.568 840 2HD2 LEU 109 2HD2 LEU 109 -12.456 -10.687 3.259 841 3HD2 LEU 109 3HD2 LEU 109 -12.268 -12.308 2.588 842 H ASP 110 H ASP 110 -8.666 -12.378 6.254 843 HA ASP 110 HA ASP 110 -7.828 -13.150 8.204 844 1HB ASP 110 2HB ASP 110 -7.730 -10.876 8.949 845 2HB ASP 110 1HB ASP 110 -9.441 -10.885 9.364 846 H ARG 111 H ARG 111 -11.301 -12.577 8.463 847 HA ARG 111 HA ARG 111 -11.492 -14.221 10.812 848 1HB ARG 111 2HB ARG 111 -13.616 -12.801 9.223 849 2HB ARG 111 1HB ARG 111 -13.840 -13.539 10.808 850 1HG ARG 111 2HG ARG 111 -12.061 -12.035 11.677 851 2HG ARG 111 1HG ARG 111 -12.058 -11.221 10.116 852 1HD ARG 111 2HD ARG 111 -14.350 -10.556 10.399 853 2HD ARG 111 1HD ARG 111 -14.478 -11.497 11.885 854 HE ARG 111 HE ARG 111 -12.420 -9.765 12.362 855 1HH1 ARG 111 1HH1 ARG 111 -15.755 -9.401 11.337 856 2HH1 ARG 111 2HH1 ARG 111 -15.958 -7.868 12.136 857 1HH2 ARG 111 1HH2 ARG 111 -12.700 -7.727 13.414 858 2HH2 ARG 111 2HH2 ARG 111 -14.238 -6.917 13.284 859 H ASP 112 H ASP 112 -11.093 -15.245 7.861 860 HA ASP 112 HA ASP 112 -12.982 -17.440 8.050 861 1HB ASP 112 2HB ASP 112 -11.781 -18.332 6.070 862 2HB ASP 112 1HB ASP 112 -12.414 -16.718 5.809 863 H LYS 113 H LYS 113 -10.054 -16.472 9.292 864 HA LYS 113 HA LYS 113 -8.409 -17.353 10.535 865 1HB LYS 113 2HB LYS 113 -9.037 -18.795 12.271 866 2HB LYS 113 1HB LYS 113 -10.396 -17.750 11.938 867 1HG LYS 113 2HG LYS 113 -11.349 -19.682 10.590 868 2HG LYS 113 1HG LYS 113 -10.100 -20.672 11.349 869 1HD LYS 113 2HD LYS 113 -10.953 -19.858 13.571 870 2HD LYS 113 1HD LYS 113 -12.310 -19.136 12.705 871 1HE LYS 113 2HE LYS 113 -13.062 -21.234 13.493 872 2HE LYS 113 1HE LYS 113 -12.774 -21.424 11.764 873 1HZ LYS 113 1HZ LYS 113 -11.913 -23.288 13.075 874 2HZ LYS 113 2HZ LYS 113 -10.874 -22.233 13.899 875 3HZ LYS 113 3HZ LYS 113 -10.679 -22.489 12.235 Start of MODEL 2 1 1H MET 1 1HT MET 1 6.079 2.799 -13.254 2 2H MET 1 2HT MET 1 4.840 1.678 -12.975 3 3H MET 1 3HT MET 1 6.444 1.268 -12.627 4 HA MET 1 HA MET 1 6.537 2.945 -10.924 5 1HB MET 1 2HB MET 1 4.850 4.451 -11.907 6 2HB MET 1 1HB MET 1 3.594 3.297 -11.470 7 1HG MET 1 2HG MET 1 3.802 5.188 -9.897 8 2HG MET 1 1HG MET 1 4.025 3.610 -9.143 9 1HE MET 1 1HE MET 1 5.863 6.790 -10.570 10 2HE MET 1 2HE MET 1 6.683 5.463 -11.391 11 3HE MET 1 3HE MET 1 7.547 6.422 -10.189 12 H ARG 2 H ARG 2 6.210 2.217 -8.800 13 HA ARG 2 HA ARG 2 4.682 -0.282 -8.595 14 1HB ARG 2 2HB ARG 2 7.284 0.594 -7.438 15 2HB ARG 2 1HB ARG 2 6.298 -0.546 -6.537 16 1HG ARG 2 2HG ARG 2 6.457 -2.177 -8.196 17 2HG ARG 2 1HG ARG 2 6.986 -1.013 -9.412 18 1HD ARG 2 2HD ARG 2 8.599 -1.698 -6.966 19 2HD ARG 2 1HD ARG 2 8.772 -2.544 -8.504 20 HE ARG 2 HE ARG 2 9.060 0.370 -8.499 21 1HH1 ARG 2 1HH1 ARG 2 10.579 -2.788 -8.604 22 2HH1 ARG 2 2HH1 ARG 2 12.035 -2.205 -9.357 23 1HH2 ARG 2 1HH2 ARG 2 10.980 1.144 -9.485 24 2HH2 ARG 2 2HH2 ARG 2 12.268 0.034 -9.836 25 H ILE 3 H ILE 3 3.043 -0.357 -7.242 26 HA ILE 3 HA ILE 3 2.881 1.640 -5.086 27 HB ILE 3 HB ILE 3 0.578 0.705 -6.822 28 1HG1 ILE 3 2HG1 ILE 3 1.859 3.439 -6.576 29 2HG1 ILE 3 1HG1 ILE 3 2.053 2.345 -7.940 30 1HG2 ILE 3 1HG2 ILE 3 -0.777 2.305 -5.548 31 2HG2 ILE 3 2HG2 ILE 3 0.610 2.653 -4.515 32 3HG2 ILE 3 3HG2 ILE 3 -0.111 1.044 -4.512 33 1HD1 ILE 3 1HD1 ILE 3 -0.326 2.526 -8.431 34 2HD1 ILE 3 2HD1 ILE 3 0.452 4.110 -8.421 35 3HD1 ILE 3 3HD1 ILE 3 -0.532 3.602 -7.049 36 H PHE 4 H PHE 4 2.170 0.875 -3.140 37 HA PHE 4 HA PHE 4 1.841 -2.028 -2.941 38 1HB PHE 4 2HB PHE 4 3.545 -0.872 -1.509 39 2HB PHE 4 1HB PHE 4 2.231 -0.008 -0.720 40 HD1 PHE 4 HD1 PHE 4 3.849 -3.266 -1.163 41 HD2 PHE 4 HD2 PHE 4 0.803 -1.100 0.872 42 HE1 PHE 4 HE1 PHE 4 3.598 -5.125 0.426 43 HE2 PHE 4 HE2 PHE 4 0.544 -2.956 2.466 44 HZ PHE 4 HZ PHE 4 1.945 -4.972 2.244 45 H VAL 5 H VAL 5 -0.197 -2.704 -3.060 46 HA VAL 5 HA VAL 5 -2.324 -0.857 -2.285 47 HB VAL 5 HB VAL 5 -2.557 -3.480 -3.761 48 1HG1 VAL 5 1HG1 VAL 5 -4.627 -2.951 -2.683 49 2HG1 VAL 5 2HG1 VAL 5 -4.792 -2.551 -4.393 50 3HG1 VAL 5 3HG1 VAL 5 -4.533 -1.272 -3.210 51 1HG2 VAL 5 1HG2 VAL 5 -1.270 -1.864 -5.037 52 2HG2 VAL 5 2HG2 VAL 5 -2.524 -0.650 -4.796 53 3HG2 VAL 5 3HG2 VAL 5 -2.863 -2.089 -5.759 54 H TYR 6 H TYR 6 -2.816 -0.957 -0.253 55 HA TYR 6 HA TYR 6 -2.766 -3.443 1.226 56 1HB TYR 6 2HB TYR 6 -3.611 -1.760 3.080 57 2HB TYR 6 1HB TYR 6 -1.922 -1.776 2.583 58 HD1 TYR 6 HD1 TYR 6 -4.912 0.189 2.861 59 HD2 TYR 6 HD2 TYR 6 -1.158 -0.047 0.870 60 HE1 TYR 6 HE1 TYR 6 -5.067 2.573 2.287 61 HE2 TYR 6 HE2 TYR 6 -1.305 2.337 0.298 62 HH TYR 6 HH TYR 6 -3.188 4.460 1.727 63 H GLY 7 H GLY 7 -4.430 -4.380 -0.104 64 1HA GLY 7 2HA GLY 7 -6.825 -4.762 1.110 65 2HA GLY 7 1HA GLY 7 -7.124 -3.390 0.044 66 H SER 8 H SER 8 -8.375 -5.938 -0.229 67 HA SER 8 HA SER 8 -7.079 -7.459 -2.247 68 1HB SER 8 2HB SER 8 -8.875 -8.342 -0.757 69 2HB SER 8 1HB SER 8 -10.041 -7.350 -1.629 70 HG SER 8 HG SER 8 -8.982 -9.758 -2.299 71 H LEU 9 H LEU 9 -6.401 -6.073 -3.862 72 HA LEU 9 HA LEU 9 -8.244 -4.332 -5.236 73 1HB LEU 9 2HB LEU 9 -5.707 -4.029 -4.867 74 2HB LEU 9 1HB LEU 9 -5.508 -5.149 -6.193 75 HG LEU 9 HG LEU 9 -5.320 -2.675 -6.737 76 1HD1 LEU 9 1HD1 LEU 9 -7.362 -4.268 -8.275 77 2HD1 LEU 9 2HD1 LEU 9 -5.613 -4.387 -8.458 78 3HD1 LEU 9 3HD1 LEU 9 -6.442 -2.890 -8.876 79 1HD2 LEU 9 1HD2 LEU 9 -7.449 -1.498 -7.141 80 2HD2 LEU 9 2HD2 LEU 9 -7.170 -1.835 -5.433 81 3HD2 LEU 9 3HD2 LEU 9 -8.309 -2.821 -6.352 82 H ARG 10 H ARG 10 -6.931 -7.519 -5.604 83 HA ARG 10 HA ARG 10 -7.558 -8.012 -8.287 84 1HB ARG 10 2HB ARG 10 -7.201 -9.778 -5.887 85 2HB ARG 10 1HB ARG 10 -7.687 -10.459 -7.436 86 1HG ARG 10 2HG ARG 10 -5.681 -9.784 -8.474 87 2HG ARG 10 1HG ARG 10 -5.254 -8.725 -7.130 88 1HD ARG 10 2HD ARG 10 -5.514 -11.710 -6.850 89 2HD ARG 10 1HD ARG 10 -3.999 -10.913 -7.273 90 HE ARG 10 HE ARG 10 -5.081 -9.717 -4.956 91 1HH1 ARG 10 1HH1 ARG 10 -3.537 -12.711 -5.973 92 2HH1 ARG 10 2HH1 ARG 10 -2.811 -12.979 -4.416 93 1HH2 ARG 10 1HH2 ARG 10 -4.158 -10.105 -2.946 94 2HH2 ARG 10 2HH2 ARG 10 -3.157 -11.514 -2.705 95 H HIS 11 H HIS 11 -9.617 -7.819 -5.505 96 HA HIS 11 HA HIS 11 -11.819 -9.073 -6.948 97 1HB HIS 11 2HB HIS 11 -11.461 -8.194 -4.106 98 2HB HIS 11 1HB HIS 11 -13.078 -8.441 -4.754 99 HD1 HIS 11 HD1 HIS 11 -13.917 -10.809 -4.889 100 HD2 HIS 11 HD2 HIS 11 -9.839 -10.593 -4.099 101 HE1 HIS 11 HE1 HIS 11 -13.202 -13.160 -4.351 102 HE2 HIS 11 HE2 HIS 11 -10.706 -13.027 -4.024 103 H LYS 12 H LYS 12 -11.031 -5.892 -5.513 104 HA LYS 12 HA LYS 12 -13.363 -4.806 -6.915 105 1HB LYS 12 2HB LYS 12 -11.769 -3.869 -4.574 106 2HB LYS 12 1HB LYS 12 -12.605 -2.677 -5.555 107 1HG LYS 12 2HG LYS 12 -14.716 -3.953 -5.182 108 2HG LYS 12 1HG LYS 12 -13.832 -4.981 -4.052 109 1HD LYS 12 2HD LYS 12 -13.373 -3.123 -2.616 110 2HD LYS 12 1HD LYS 12 -13.996 -1.980 -3.805 111 1HE LYS 12 2HE LYS 12 -15.614 -2.307 -2.031 112 2HE LYS 12 1HE LYS 12 -16.236 -2.959 -3.546 113 1HZ LYS 12 1HZ LYS 12 -14.918 -4.614 -1.466 114 2HZ LYS 12 2HZ LYS 12 -15.772 -5.159 -2.829 115 3HZ LYS 12 3HZ LYS 12 -16.597 -4.392 -1.562 116 H GLN 13 H GLN 13 -12.567 -4.724 -9.010 117 HA GLN 13 HA GLN 13 -10.269 -3.086 -9.639 118 1HB GLN 13 2HB GLN 13 -12.440 -4.289 -11.372 119 2HB GLN 13 1HB GLN 13 -11.077 -3.370 -11.998 120 1HG GLN 13 2HG GLN 13 -10.882 -5.929 -10.422 121 2HG GLN 13 1HG GLN 13 -10.736 -5.787 -12.174 122 1HE2 GLN 13 1HE2 GLN 13 -8.812 -6.749 -10.183 123 2HE2 GLN 13 2HE2 GLN 13 -7.401 -5.773 -10.383 124 H GLY 14 H GLY 14 -10.589 -1.048 -8.892 125 1HA GLY 14 2HA GLY 14 -13.088 0.291 -8.934 126 2HA GLY 14 1HA GLY 14 -11.531 1.025 -8.588 127 H ASN 15 H ASN 15 -10.250 0.529 -11.018 128 HA ASN 15 HA ASN 15 -11.879 1.887 -13.019 129 1HB ASN 15 2HB ASN 15 -10.673 3.634 -11.738 130 2HB ASN 15 1HB ASN 15 -9.149 2.839 -12.116 131 1HD2 ASN 15 1HD2 ASN 15 -11.831 4.640 -13.398 132 2HD2 ASN 15 2HD2 ASN 15 -11.047 5.130 -14.855 133 H SER 16 H SER 16 -10.998 1.700 -15.174 134 HA SER 16 HA SER 16 -10.017 -0.795 -15.839 135 1HB SER 16 2HB SER 16 -9.730 1.761 -17.435 136 2HB SER 16 1HB SER 16 -9.634 0.121 -18.077 137 HG SER 16 HG SER 16 -11.857 -0.019 -16.978 138 H HIS 17 H HIS 17 -8.232 2.131 -15.045 139 HA HIS 17 HA HIS 17 -5.708 1.434 -16.028 140 1HB HIS 17 2HB HIS 17 -6.603 3.185 -13.762 141 2HB HIS 17 1HB HIS 17 -4.889 2.877 -14.019 142 HD1 HIS 17 HD1 HIS 17 -7.821 4.672 -15.488 143 HD2 HIS 17 HD2 HIS 17 -3.776 4.125 -16.263 144 HE1 HIS 17 HE1 HIS 17 -7.243 6.340 -17.274 145 HE2 HIS 17 HE2 HIS 17 -4.740 6.178 -17.507 146 H TRP 18 H TRP 18 -7.384 0.385 -13.160 147 HA TRP 18 HA TRP 18 -5.137 -0.643 -11.775 148 1HB TRP 18 2HB TRP 18 -8.094 -1.023 -11.565 149 2HB TRP 18 1HB TRP 18 -7.010 -2.051 -10.640 150 HD1 TRP 18 HD1 TRP 18 -9.050 0.728 -9.980 151 HE1 TRP 18 HE1 TRP 18 -8.109 2.241 -8.122 152 HE3 TRP 18 HE3 TRP 18 -4.209 -0.887 -10.009 153 HZ2 TRP 18 HZ2 TRP 18 -5.632 2.681 -6.837 154 HZ3 TRP 18 HZ3 TRP 18 -2.612 0.123 -8.431 155 HH2 TRP 18 HH2 TRP 18 -3.312 1.877 -6.882 156 H MET 19 H MET 19 -7.577 -2.153 -13.855 157 HA MET 19 HA MET 19 -6.404 -4.751 -13.666 158 1HB MET 19 2HB MET 19 -8.792 -4.469 -14.073 159 2HB MET 19 1HB MET 19 -8.459 -3.646 -15.590 160 1HG MET 19 2HG MET 19 -7.438 -5.702 -16.459 161 2HG MET 19 1HG MET 19 -7.839 -6.517 -14.948 162 1HE MET 19 1HE MET 19 -8.636 -7.467 -17.901 163 2HE MET 19 2HE MET 19 -10.293 -8.017 -17.655 164 3HE MET 19 3HE MET 19 -9.046 -8.402 -16.467 165 H THR 20 H THR 20 -5.918 -2.022 -15.751 166 HA THR 20 HA THR 20 -4.899 -3.567 -17.959 167 HB THR 20 HB THR 20 -4.766 -0.574 -17.539 168 HG1 THR 20 HG1 THR 20 -6.922 -1.250 -17.513 169 1HG2 THR 20 1HG2 THR 20 -4.587 -2.260 -20.042 170 2HG2 THR 20 2HG2 THR 20 -3.259 -1.383 -19.285 171 3HG2 THR 20 3HG2 THR 20 -4.610 -0.498 -19.992 172 H ASN 21 H ASN 21 -2.903 -4.109 -18.363 173 HA ASN 21 HA ASN 21 -0.713 -4.536 -18.149 174 1HB ASN 21 2HB ASN 21 0.790 -2.726 -18.392 175 2HB ASN 21 1HB ASN 21 -0.685 -2.273 -19.226 176 1HD2 ASN 21 1HD2 ASN 21 -1.855 -0.535 -18.502 177 2HD2 ASN 21 2HD2 ASN 21 -1.290 0.537 -17.278 178 H ALA 22 H ALA 22 -2.344 -4.389 -15.599 179 HA ALA 22 HA ALA 22 -0.426 -3.739 -13.569 180 1HB ALA 22 1HB ALA 22 -3.034 -5.241 -13.379 181 2HB ALA 22 2HB ALA 22 -2.800 -3.514 -13.112 182 3HB ALA 22 3HB ALA 22 -2.068 -4.683 -12.013 183 H GLN 23 H GLN 23 1.251 -4.951 -13.124 184 HA GLN 23 HA GLN 23 1.031 -7.856 -13.484 185 1HB GLN 23 2HB GLN 23 2.888 -6.766 -14.721 186 2HB GLN 23 1HB GLN 23 3.541 -6.187 -13.190 187 1HG GLN 23 2HG GLN 23 3.727 -8.562 -12.455 188 2HG GLN 23 1HG GLN 23 3.249 -9.050 -14.078 189 1HE2 GLN 23 1HE2 GLN 23 5.746 -7.693 -12.113 190 2HE2 GLN 23 2HE2 GLN 23 7.021 -7.821 -13.278 191 H LEU 24 H LEU 24 0.510 -8.854 -11.680 192 HA LEU 24 HA LEU 24 0.943 -7.801 -9.096 193 1HB LEU 24 2HB LEU 24 -0.812 -9.443 -9.559 194 2HB LEU 24 1HB LEU 24 0.401 -10.644 -9.961 195 HG LEU 24 HG LEU 24 1.222 -10.547 -7.613 196 1HD1 LEU 24 1HD1 LEU 24 0.472 -8.281 -7.082 197 2HD1 LEU 24 2HD1 LEU 24 -0.142 -9.459 -5.919 198 3HD1 LEU 24 3HD1 LEU 24 -1.205 -8.818 -7.174 199 1HD2 LEU 24 1HD2 LEU 24 -0.373 -12.260 -8.316 200 2HD2 LEU 24 2HD2 LEU 24 -1.709 -11.178 -7.926 201 3HD2 LEU 24 3HD2 LEU 24 -0.653 -11.771 -6.644 202 H LEU 25 H LEU 25 2.973 -7.336 -8.580 203 HA LEU 25 HA LEU 25 5.251 -8.880 -9.202 204 1HB LEU 25 2HB LEU 25 4.696 -6.854 -7.039 205 2HB LEU 25 1HB LEU 25 6.269 -7.576 -7.287 206 HG LEU 25 HG LEU 25 4.794 -5.916 -9.329 207 1HD1 LEU 25 1HD1 LEU 25 6.478 -4.214 -8.868 208 2HD1 LEU 25 2HD1 LEU 25 7.152 -5.225 -7.589 209 3HD1 LEU 25 3HD1 LEU 25 5.520 -4.574 -7.430 210 1HD2 LEU 25 1HD2 LEU 25 7.595 -7.025 -9.313 211 2HD2 LEU 25 2HD2 LEU 25 6.930 -5.930 -10.523 212 3HD2 LEU 25 3HD2 LEU 25 6.271 -7.557 -10.351 213 H GLY 26 H GLY 26 2.978 -8.826 -6.593 214 1HA GLY 26 2HA GLY 26 2.615 -11.331 -5.974 215 2HA GLY 26 1HA GLY 26 4.236 -11.134 -5.314 216 H ASP 27 H ASP 27 1.306 -11.440 -4.196 217 HA ASP 27 HA ASP 27 1.103 -9.125 -2.558 218 1HB ASP 27 2HB ASP 27 -0.392 -10.675 -1.103 219 2HB ASP 27 1HB ASP 27 -0.951 -10.105 -2.658 220 H PHE 28 H PHE 28 1.914 -8.665 -0.739 221 HA PHE 28 HA PHE 28 3.770 -10.521 0.545 222 1HB PHE 28 2HB PHE 28 5.381 -9.676 -0.826 223 2HB PHE 28 1HB PHE 28 4.469 -8.220 -1.175 224 HD1 PHE 28 HD1 PHE 28 5.323 -6.251 -0.482 225 HD2 PHE 28 HD2 PHE 28 6.320 -9.772 1.688 226 HE1 PHE 28 HE1 PHE 28 6.822 -4.934 0.946 227 HE2 PHE 28 HE2 PHE 28 7.827 -8.458 3.125 228 HZ PHE 28 HZ PHE 28 8.072 -6.030 2.756 229 H SER 29 H SER 29 3.488 -10.388 2.640 230 HA SER 29 HA SER 29 1.935 -8.199 3.710 231 1HB SER 29 2HB SER 29 2.959 -10.687 5.097 232 2HB SER 29 1HB SER 29 1.706 -9.591 5.681 233 HG SER 29 HG SER 29 1.363 -10.733 3.157 234 H ILE 30 H ILE 30 2.735 -6.525 4.766 235 HA ILE 30 HA ILE 30 5.568 -6.576 5.538 236 HB ILE 30 HB ILE 30 5.320 -4.096 5.787 237 1HG1 ILE 30 2HG1 ILE 30 2.633 -4.617 4.510 238 2HG1 ILE 30 1HG1 ILE 30 2.915 -3.945 6.111 239 1HG2 ILE 30 1HG2 ILE 30 5.334 -3.624 3.382 240 2HG2 ILE 30 2HG2 ILE 30 4.711 -5.245 3.075 241 3HG2 ILE 30 3HG2 ILE 30 6.307 -5.036 3.799 242 1HD1 ILE 30 1HD1 ILE 30 3.895 -1.965 5.141 243 2HD1 ILE 30 2HD1 ILE 30 2.290 -2.238 4.462 244 3HD1 ILE 30 3HD1 ILE 30 3.728 -2.645 3.523 245 H ASP 31 H ASP 31 6.159 -6.501 7.600 246 HA ASP 31 HA ASP 31 4.020 -6.674 9.570 247 1HB ASP 31 2HB ASP 31 5.892 -8.390 9.402 248 2HB ASP 31 1HB ASP 31 6.966 -7.146 10.034 249 H ASN 32 H ASN 32 4.270 -5.584 11.629 250 HA ASN 32 HA ASN 32 4.579 -3.775 12.965 251 1HB ASN 32 2HB ASN 32 6.802 -3.062 11.045 252 2HB ASN 32 1HB ASN 32 6.452 -2.188 12.530 253 1HD2 ASN 32 1HD2 ASN 32 7.802 -5.052 11.142 254 2HD2 ASN 32 2HD2 ASN 32 8.478 -5.686 12.601 255 H TYR 33 H TYR 33 2.761 -3.814 10.626 256 HA TYR 33 HA TYR 33 2.261 -0.916 10.654 257 1HB TYR 33 2HB TYR 33 1.958 -2.733 8.258 258 2HB TYR 33 1HB TYR 33 1.323 -1.100 8.345 259 HD1 TYR 33 HD1 TYR 33 2.890 0.827 8.510 260 HD2 TYR 33 HD2 TYR 33 4.267 -3.131 7.779 261 HE1 TYR 33 HE1 TYR 33 5.033 1.730 7.722 262 HE2 TYR 33 HE2 TYR 33 6.413 -2.242 6.985 263 HH TYR 33 HH TYR 33 7.315 -0.168 6.061 264 H GLN 34 H GLN 34 -0.020 -0.368 10.211 265 HA GLN 34 HA GLN 34 -1.857 -2.471 11.169 266 1HB GLN 34 2HB GLN 34 -1.993 0.478 11.844 267 2HB GLN 34 1HB GLN 34 -3.073 -0.779 12.435 268 1HG GLN 34 2HG GLN 34 -1.259 -1.800 13.664 269 2HG GLN 34 1HG GLN 34 -0.127 -0.615 13.016 270 1HE2 GLN 34 1HE2 GLN 34 -0.222 1.519 13.751 271 2HE2 GLN 34 2HE2 GLN 34 -1.016 1.937 15.231 272 H LEU 35 H LEU 35 -4.024 -2.337 10.374 273 HA LEU 35 HA LEU 35 -4.288 -0.648 7.973 274 1HB LEU 35 2HB LEU 35 -4.095 -3.033 7.431 275 2HB LEU 35 1HB LEU 35 -5.453 -3.386 8.481 276 HG LEU 35 HG LEU 35 -6.862 -1.921 6.984 277 1HD1 LEU 35 1HD1 LEU 35 -6.034 -1.515 4.722 278 2HD1 LEU 35 2HD1 LEU 35 -4.454 -2.146 5.189 279 3HD1 LEU 35 3HD1 LEU 35 -5.068 -0.668 5.931 280 1HD2 LEU 35 1HD2 LEU 35 -6.925 -4.369 6.896 281 2HD2 LEU 35 2HD2 LEU 35 -5.606 -4.357 5.725 282 3HD2 LEU 35 3HD2 LEU 35 -7.165 -3.651 5.303 283 H TYR 36 H TYR 36 -5.852 0.803 8.051 284 HA TYR 36 HA TYR 36 -7.995 0.557 10.008 285 1HB TYR 36 2HB TYR 36 -7.332 2.775 8.058 286 2HB TYR 36 1HB TYR 36 -8.605 2.839 9.273 287 HD1 TYR 36 HD1 TYR 36 -5.298 3.744 8.574 288 HD2 TYR 36 HD2 TYR 36 -7.762 2.332 11.743 289 HE1 TYR 36 HE1 TYR 36 -3.687 4.627 10.208 290 HE2 TYR 36 HE2 TYR 36 -6.159 3.208 13.386 291 HH TYR 36 HH TYR 36 -3.618 5.322 12.531 292 H SER 37 H SER 37 -10.080 0.132 9.502 293 HA SER 37 HA SER 37 -10.681 -0.312 6.656 294 1HB SER 37 2HB SER 37 -10.401 -2.452 7.900 295 2HB SER 37 1HB SER 37 -11.716 -1.967 8.973 296 HG SER 37 HG SER 37 -12.169 -3.350 7.004 297 H LEU 38 H LEU 38 -11.760 1.544 6.284 298 HA LEU 38 HA LEU 38 -14.024 2.189 8.021 299 1HB LEU 38 2HB LEU 38 -14.018 4.311 6.459 300 2HB LEU 38 1HB LEU 38 -12.931 4.179 7.825 301 HG LEU 38 HG LEU 38 -12.000 3.344 5.103 302 1HD1 LEU 38 1HD1 LEU 38 -12.961 5.563 4.794 303 2HD1 LEU 38 2HD1 LEU 38 -11.197 5.637 4.733 304 3HD1 LEU 38 3HD1 LEU 38 -12.053 6.160 6.184 305 1HD2 LEU 38 1HD2 LEU 38 -10.579 2.836 7.015 306 2HD2 LEU 38 2HD2 LEU 38 -10.625 4.527 7.512 307 3HD2 LEU 38 3HD2 LEU 38 -9.834 4.076 6.002 308 H GLY 39 H GLY 39 -13.749 0.094 5.836 309 1HA GLY 39 2HA GLY 39 -15.341 -0.973 4.554 310 2HA GLY 39 1HA GLY 39 -16.455 0.332 4.927 311 H HIS 40 H HIS 40 -15.476 2.506 3.884 312 HA HIS 40 HA HIS 40 -15.979 2.326 1.144 313 1HB HIS 40 2HB HIS 40 -14.546 4.488 2.704 314 2HB HIS 40 1HB HIS 40 -15.088 4.663 1.041 315 HD1 HIS 40 HD1 HIS 40 -16.220 4.995 4.530 316 HD2 HIS 40 HD2 HIS 40 -17.961 4.679 0.758 317 HE1 HIS 40 HE1 HIS 40 -18.591 5.765 4.810 318 HE2 HIS 40 HE2 HIS 40 -19.559 5.765 2.482 319 H TYR 41 H TYR 41 -12.906 2.775 2.844 320 HA TYR 41 HA TYR 41 -11.454 1.309 0.864 321 1HB TYR 41 2HB TYR 41 -9.910 3.189 0.288 322 2HB TYR 41 1HB TYR 41 -11.542 3.411 -0.330 323 HD1 TYR 41 HD1 TYR 41 -13.114 4.946 1.016 324 HD2 TYR 41 HD2 TYR 41 -8.896 4.854 1.591 325 HE1 TYR 41 HE1 TYR 41 -13.216 7.165 2.061 326 HE2 TYR 41 HE2 TYR 41 -8.990 7.072 2.648 327 HH TYR 41 HH TYR 41 -10.513 9.075 2.597 328 HA PRO 42 HA PRO 42 -9.116 0.708 4.602 329 1HB PRO 42 2HB PRO 42 -7.023 -0.540 3.016 330 2HB PRO 42 1HB PRO 42 -8.162 -1.289 4.135 331 1HG PRO 42 2HG PRO 42 -8.254 -1.681 1.450 332 2HG PRO 42 1HG PRO 42 -9.693 -1.737 2.487 333 1HD PRO 42 2HD PRO 42 -8.706 0.482 0.728 334 2HD PRO 42 1HD PRO 42 -10.364 -0.110 0.975 335 H GLY 43 H GLY 43 -7.139 1.302 5.604 336 1HA GLY 43 2HA GLY 43 -5.264 2.931 4.047 337 2HA GLY 43 1HA GLY 43 -6.052 3.683 5.429 338 H ALA 44 H ALA 44 -3.216 2.442 4.591 339 HA ALA 44 HA ALA 44 -2.852 0.880 7.058 340 1HB ALA 44 1HB ALA 44 -0.945 -0.169 5.976 341 2HB ALA 44 2HB ALA 44 -1.169 0.852 4.553 342 3HB ALA 44 3HB ALA 44 -2.394 -0.340 4.987 343 H VAL 45 H VAL 45 -1.158 1.291 8.441 344 HA VAL 45 HA VAL 45 0.597 3.578 7.928 345 HB VAL 45 HB VAL 45 0.135 4.631 10.077 346 1HG1 VAL 45 1HG1 VAL 45 -1.120 5.421 8.142 347 2HG1 VAL 45 2HG1 VAL 45 -2.056 5.583 9.625 348 3HG1 VAL 45 3HG1 VAL 45 -2.406 4.270 8.499 349 1HG2 VAL 45 1HG2 VAL 45 -0.567 2.635 11.301 350 2HG2 VAL 45 2HG2 VAL 45 -2.081 2.614 10.396 351 3HG2 VAL 45 3HG2 VAL 45 -1.722 3.954 11.486 352 HA PRO 46 HA PRO 46 3.500 1.129 10.314 353 1HB PRO 46 2HB PRO 46 4.689 3.030 11.905 354 2HB PRO 46 1HB PRO 46 5.115 2.738 10.217 355 1HG PRO 46 2HG PRO 46 3.358 4.845 11.386 356 2HG PRO 46 1HG PRO 46 4.533 4.971 10.067 357 1HD PRO 46 2HD PRO 46 1.880 4.817 9.616 358 2HD PRO 46 1HD PRO 46 3.069 4.096 8.515 359 H GLY 47 H GLY 47 3.424 -0.062 12.140 360 1HA GLY 47 2HA GLY 47 2.588 0.872 14.675 361 2HA GLY 47 1HA GLY 47 1.232 0.093 13.869 362 H ASN 48 H ASN 48 0.984 -1.967 14.449 363 HA ASN 48 HA ASN 48 3.328 -3.693 14.548 364 1HB ASN 48 2HB ASN 48 2.846 -2.793 16.886 365 2HB ASN 48 1HB ASN 48 1.340 -3.697 16.824 366 1HD2 ASN 48 1HD2 ASN 48 2.389 -6.000 15.457 367 2HD2 ASN 48 2HD2 ASN 48 3.418 -6.826 16.574 368 H GLY 49 H GLY 49 2.486 -4.595 12.663 369 1HA GLY 49 2HA GLY 49 0.912 -6.879 13.030 370 2HA GLY 49 1HA GLY 49 -0.107 -5.619 12.346 371 H THR 50 H THR 50 0.349 -7.940 10.929 372 HA THR 50 HA THR 50 2.394 -7.183 8.958 373 HB THR 50 HB THR 50 1.185 -9.927 9.137 374 HG1 THR 50 HG1 THR 50 3.052 -8.711 10.876 375 1HG2 THR 50 1HG2 THR 50 3.324 -10.603 8.196 376 2HG2 THR 50 2HG2 THR 50 3.921 -8.948 8.313 377 3HG2 THR 50 3HG2 THR 50 2.605 -9.334 7.208 378 H VAL 51 H VAL 51 1.385 -6.012 7.397 379 HA VAL 51 HA VAL 51 -1.408 -6.504 6.765 380 HB VAL 51 HB VAL 51 0.498 -4.463 5.600 381 1HG1 VAL 51 1HG1 VAL 51 -1.389 -4.895 4.128 382 2HG1 VAL 51 2HG1 VAL 51 -1.553 -3.305 4.874 383 3HG1 VAL 51 3HG1 VAL 51 -2.513 -4.661 5.466 384 1HG2 VAL 51 1HG2 VAL 51 0.214 -4.134 7.993 385 2HG2 VAL 51 2HG2 VAL 51 -1.537 -4.182 7.808 386 3HG2 VAL 51 3HG2 VAL 51 -0.612 -2.862 7.092 387 H HIS 52 H HIS 52 -2.102 -7.736 5.154 388 HA HIS 52 HA HIS 52 -0.195 -9.183 3.551 389 1HB HIS 52 2HB HIS 52 -3.220 -9.223 3.411 390 2HB HIS 52 1HB HIS 52 -2.130 -10.428 2.766 391 HD1 HIS 52 HD1 HIS 52 -1.334 -9.347 6.234 392 HD2 HIS 52 HD2 HIS 52 -3.621 -12.257 4.347 393 HE1 HIS 52 HE1 HIS 52 -1.925 -11.004 8.023 394 HE2 HIS 52 HE2 HIS 52 -3.550 -12.587 6.909 395 H GLY 53 H GLY 53 0.317 -6.788 2.611 396 1HA GLY 53 2HA GLY 53 -1.651 -5.712 0.826 397 2HA GLY 53 1HA GLY 53 -0.012 -5.127 1.038 398 H GLU 54 H GLU 54 -1.476 -5.373 -1.407 399 HA GLU 54 HA GLU 54 -0.038 -7.503 -2.823 400 1HB GLU 54 2HB GLU 54 -2.205 -5.657 -3.851 401 2HB GLU 54 1HB GLU 54 -1.560 -7.068 -4.674 402 1HG GLU 54 2HG GLU 54 -2.474 -8.498 -2.895 403 2HG GLU 54 1HG GLU 54 -3.153 -7.068 -2.121 404 H VAL 55 H VAL 55 1.827 -6.970 -3.822 405 HA VAL 55 HA VAL 55 2.403 -4.141 -4.302 406 HB VAL 55 HB VAL 55 4.311 -6.443 -4.721 407 1HG1 VAL 55 1HG1 VAL 55 4.750 -3.501 -4.223 408 2HG1 VAL 55 2HG1 VAL 55 4.999 -4.359 -5.741 409 3HG1 VAL 55 3HG1 VAL 55 6.026 -4.712 -4.351 410 1HG2 VAL 55 1HG2 VAL 55 3.515 -6.585 -2.444 411 2HG2 VAL 55 2HG2 VAL 55 3.841 -4.869 -2.195 412 3HG2 VAL 55 3HG2 VAL 55 5.174 -5.991 -2.466 413 H TYR 56 H TYR 56 2.245 -3.266 -6.288 414 HA TYR 56 HA TYR 56 2.014 -5.135 -8.557 415 1HB TYR 56 2HB TYR 56 0.339 -2.753 -7.839 416 2HB TYR 56 1HB TYR 56 0.489 -3.256 -9.518 417 HD1 TYR 56 HD1 TYR 56 -0.789 -4.175 -6.210 418 HD2 TYR 56 HD2 TYR 56 -0.542 -5.269 -10.309 419 HE1 TYR 56 HE1 TYR 56 -2.561 -5.834 -5.866 420 HE2 TYR 56 HE2 TYR 56 -2.312 -6.937 -9.980 421 HH TYR 56 HH TYR 56 -4.056 -7.147 -6.913 422 H ARG 57 H ARG 57 2.903 -4.628 -10.463 423 HA ARG 57 HA ARG 57 4.425 -2.120 -10.657 424 1HB ARG 57 2HB ARG 57 5.688 -4.227 -11.046 425 2HB ARG 57 1HB ARG 57 4.593 -4.611 -12.369 426 1HG ARG 57 2HG ARG 57 5.537 -2.036 -12.902 427 2HG ARG 57 1HG ARG 57 6.940 -2.952 -12.352 428 1HD ARG 57 2HD ARG 57 6.725 -3.136 -14.754 429 2HD ARG 57 1HD ARG 57 6.418 -4.703 -14.003 430 HE ARG 57 HE ARG 57 3.935 -3.629 -14.258 431 1HH1 ARG 57 1HH1 ARG 57 6.584 -4.090 -16.490 432 2HH1 ARG 57 2HH1 ARG 57 5.561 -4.328 -17.870 433 1HH2 ARG 57 1HH2 ARG 57 2.556 -3.919 -16.070 434 2HH2 ARG 57 2HH2 ARG 57 3.253 -4.215 -17.637 435 H ILE 58 H ILE 58 3.116 -0.600 -11.477 436 HA ILE 58 HA ILE 58 1.516 -1.312 -13.842 437 HB ILE 58 HB ILE 58 -0.056 0.575 -13.049 438 1HG1 ILE 58 2HG1 ILE 58 -0.213 0.516 -10.467 439 2HG1 ILE 58 1HG1 ILE 58 1.451 -0.048 -10.513 440 1HG2 ILE 58 1HG2 ILE 58 -1.406 -1.018 -11.789 441 2HG2 ILE 58 2HG2 ILE 58 -0.002 -2.070 -11.610 442 3HG2 ILE 58 3HG2 ILE 58 -0.680 -1.768 -13.210 443 1HD1 ILE 58 1HD1 ILE 58 2.128 1.990 -11.640 444 2HD1 ILE 58 2HD1 ILE 58 1.307 2.349 -10.119 445 3HD1 ILE 58 3HD1 ILE 58 0.457 2.552 -11.652 446 H ASP 59 H ASP 59 0.915 0.630 -15.141 447 HA ASP 59 HA ASP 59 3.098 1.976 -16.122 448 1HB ASP 59 2HB ASP 59 1.285 2.006 -17.542 449 2HB ASP 59 1HB ASP 59 0.150 2.413 -16.261 450 H ASN 60 H ASN 60 4.177 3.803 -15.706 451 HA ASN 60 HA ASN 60 4.252 4.958 -13.176 452 1HB ASN 60 2HB ASN 60 5.198 5.971 -15.865 453 2HB ASN 60 1HB ASN 60 5.464 6.880 -14.383 454 1HD2 ASN 60 1HD2 ASN 60 7.357 5.627 -16.250 455 2HD2 ASN 60 2HD2 ASN 60 8.312 4.542 -15.292 456 H ALA 61 H ALA 61 2.489 5.980 -16.086 457 HA ALA 61 HA ALA 61 1.729 8.536 -15.080 458 1HB ALA 61 1HB ALA 61 0.290 8.677 -17.024 459 2HB ALA 61 2HB ALA 61 0.489 6.953 -17.326 460 3HB ALA 61 3HB ALA 61 1.869 8.041 -17.482 461 H THR 62 H THR 62 0.227 5.362 -15.053 462 HA THR 62 HA THR 62 -2.305 6.016 -14.112 463 HB THR 62 HB THR 62 -0.625 3.613 -13.344 464 HG1 THR 62 HG1 THR 62 -1.084 4.102 -15.684 465 1HG2 THR 62 1HG2 THR 62 -2.570 3.838 -11.882 466 2HG2 THR 62 2HG2 THR 62 -2.807 2.492 -12.996 467 3HG2 THR 62 3HG2 THR 62 -3.625 4.028 -13.282 468 H LEU 63 H LEU 63 0.767 5.937 -12.440 469 HA LEU 63 HA LEU 63 -0.251 6.227 -9.793 470 1HB LEU 63 2HB LEU 63 2.028 5.524 -10.004 471 2HB LEU 63 1HB LEU 63 2.425 6.906 -11.012 472 HG LEU 63 HG LEU 63 1.788 8.321 -8.939 473 1HD1 LEU 63 1HD1 LEU 63 2.356 5.692 -7.588 474 2HD1 LEU 63 2HD1 LEU 63 0.785 6.488 -7.664 475 3HD1 LEU 63 3HD1 LEU 63 2.117 7.253 -6.797 476 1HD2 LEU 63 1HD2 LEU 63 4.050 8.115 -9.848 477 2HD2 LEU 63 2HD2 LEU 63 4.292 6.653 -8.889 478 3HD2 LEU 63 3HD2 LEU 63 4.043 8.203 -8.086 479 H ALA 64 H ALA 64 1.040 8.452 -12.212 480 HA ALA 64 HA ALA 64 0.674 10.835 -10.806 481 1HB ALA 64 1HB ALA 64 0.555 10.402 -13.789 482 2HB ALA 64 2HB ALA 64 2.017 10.672 -12.838 483 3HB ALA 64 3HB ALA 64 0.804 11.946 -12.973 484 H GLU 65 H GLU 65 -1.568 8.894 -12.687 485 HA GLU 65 HA GLU 65 -3.640 10.901 -12.629 486 1HB GLU 65 2HB GLU 65 -3.546 9.096 -14.352 487 2HB GLU 65 1HB GLU 65 -3.931 7.927 -13.096 488 1HG GLU 65 2HG GLU 65 -6.066 9.001 -12.710 489 2HG GLU 65 1HG GLU 65 -5.681 10.239 -13.906 490 H LEU 66 H LEU 66 -2.775 8.067 -10.762 491 HA LEU 66 HA LEU 66 -5.043 7.999 -9.098 492 1HB LEU 66 2HB LEU 66 -3.572 6.082 -9.361 493 2HB LEU 66 1HB LEU 66 -2.231 6.970 -8.668 494 HG LEU 66 HG LEU 66 -4.690 6.481 -7.018 495 1HD1 LEU 66 1HD1 LEU 66 -2.421 4.540 -7.443 496 2HD1 LEU 66 2HD1 LEU 66 -4.087 4.315 -7.975 497 3HD1 LEU 66 3HD1 LEU 66 -3.714 4.378 -6.252 498 1HD2 LEU 66 1HD2 LEU 66 -2.966 7.971 -6.129 499 2HD2 LEU 66 2HD2 LEU 66 -1.747 6.719 -6.371 500 3HD2 LEU 66 3HD2 LEU 66 -3.041 6.474 -5.198 501 H ASP 67 H ASP 67 -1.833 9.526 -8.631 502 HA ASP 67 HA ASP 67 -2.438 10.310 -5.962 503 1HB ASP 67 2HB ASP 67 -0.395 11.510 -5.945 504 2HB ASP 67 1HB ASP 67 -0.118 10.078 -6.912 505 H ALA 68 H ALA 68 -2.554 11.990 -9.057 506 HA ALA 68 HA ALA 68 -3.383 14.488 -8.165 507 1HB ALA 68 1HB ALA 68 -2.698 13.836 -10.467 508 2HB ALA 68 2HB ALA 68 -4.157 14.830 -10.401 509 3HB ALA 68 3HB ALA 68 -4.282 13.089 -10.671 510 H LEU 69 H LEU 69 -5.119 11.514 -8.575 511 HA LEU 69 HA LEU 69 -7.731 12.713 -8.285 512 1HB LEU 69 2HB LEU 69 -7.195 10.768 -9.772 513 2HB LEU 69 1HB LEU 69 -6.936 9.805 -8.332 514 HG LEU 69 HG LEU 69 -9.303 10.173 -7.696 515 1HD1 LEU 69 1HD1 LEU 69 -9.460 11.477 -10.409 516 2HD1 LEU 69 2HD1 LEU 69 -9.646 12.291 -8.855 517 3HD1 LEU 69 3HD1 LEU 69 -10.833 11.093 -9.370 518 1HD2 LEU 69 1HD2 LEU 69 -8.824 9.011 -10.437 519 2HD2 LEU 69 2HD2 LEU 69 -10.239 8.702 -9.429 520 3HD2 LEU 69 3HD2 LEU 69 -8.644 8.167 -8.897 521 H ARG 70 H ARG 70 -5.527 10.746 -6.349 522 HA ARG 70 HA ARG 70 -7.552 10.249 -4.338 523 1HB ARG 70 2HB ARG 70 -6.026 8.462 -5.128 524 2HB ARG 70 1HB ARG 70 -4.671 9.340 -4.429 525 1HG ARG 70 2HG ARG 70 -5.558 9.056 -2.219 526 2HG ARG 70 1HG ARG 70 -7.032 8.335 -2.863 527 1HD ARG 70 2HD ARG 70 -5.799 6.423 -3.659 528 2HD ARG 70 1HD ARG 70 -4.268 7.176 -3.206 529 HE ARG 70 HE ARG 70 -5.123 7.036 -0.859 530 1HH1 ARG 70 1HH1 ARG 70 -6.242 4.808 -3.308 531 2HH1 ARG 70 2HH1 ARG 70 -6.643 3.563 -2.173 532 1HH2 ARG 70 1HH2 ARG 70 -5.652 5.392 0.638 533 2HH2 ARG 70 2HH2 ARG 70 -6.324 3.897 0.067 534 H THR 71 H THR 71 -5.836 12.873 -4.829 535 HA THR 71 HA THR 71 -5.658 14.717 -3.400 536 HB THR 71 HB THR 71 -6.646 13.180 -1.494 537 HG1 THR 71 HG1 THR 71 -6.392 15.560 -1.618 538 1HG2 THR 71 1HG2 THR 71 -3.803 13.579 -0.566 539 2HG2 THR 71 2HG2 THR 71 -4.404 12.046 -1.196 540 3HG2 THR 71 3HG2 THR 71 -5.108 12.734 0.270 541 H ARG 72 H ARG 72 -3.544 12.088 -3.748 542 HA ARG 72 HA ARG 72 -1.305 11.907 -3.954 543 1HB ARG 72 2HB ARG 72 -1.582 13.746 -5.528 544 2HB ARG 72 1HB ARG 72 -1.473 14.909 -4.218 545 1HG ARG 72 2HG ARG 72 0.826 14.305 -3.822 546 2HG ARG 72 1HG ARG 72 0.729 13.038 -5.050 547 1HD ARG 72 2HD ARG 72 0.319 14.698 -6.764 548 2HD ARG 72 1HD ARG 72 0.319 15.981 -5.554 549 HE ARG 72 HE ARG 72 2.669 15.584 -5.215 550 1HH1 ARG 72 1HH1 ARG 72 1.246 13.978 -8.002 551 2HH1 ARG 72 2HH1 ARG 72 2.766 13.857 -8.850 552 1HH2 ARG 72 1HH2 ARG 72 4.647 15.394 -6.306 553 2HH2 ARG 72 2HH2 ARG 72 4.709 14.652 -7.876 554 H GLY 73 H GLY 73 -1.181 15.047 -2.331 555 1HA GLY 73 2HA GLY 73 -0.110 13.729 0.061 556 2HA GLY 73 1HA GLY 73 0.893 14.914 -0.765 557 H GLY 74 H GLY 74 -2.557 15.319 -0.660 558 1HA GLY 74 2HA GLY 74 -2.165 17.627 1.120 559 2HA GLY 74 1HA GLY 74 -3.533 17.387 0.039 560 H GLU 75 H GLU 75 -4.921 15.466 0.555 561 HA GLU 75 HA GLU 75 -5.784 15.653 3.263 562 1HB GLU 75 2HB GLU 75 -7.234 15.284 1.225 563 2HB GLU 75 1HB GLU 75 -6.647 13.630 1.196 564 1HG GLU 75 2HG GLU 75 -7.668 13.149 3.292 565 2HG GLU 75 1HG GLU 75 -8.069 14.848 3.545 566 H TYR 76 H TYR 76 -3.890 13.308 1.423 567 HA TYR 76 HA TYR 76 -3.476 11.824 3.954 568 1HB TYR 76 2HB TYR 76 -3.296 10.559 1.215 569 2HB TYR 76 1HB TYR 76 -3.299 9.749 2.777 570 HD1 TYR 76 HD1 TYR 76 -5.162 9.917 0.041 571 HD2 TYR 76 HD2 TYR 76 -5.575 10.850 4.172 572 HE1 TYR 76 HE1 TYR 76 -7.603 9.682 -0.152 573 HE2 TYR 76 HE2 TYR 76 -8.016 10.601 3.990 574 HH TYR 76 HH TYR 76 -9.720 10.884 2.009 575 H ALA 77 H ALA 77 -1.357 10.687 4.078 576 HA ALA 77 HA ALA 77 0.725 12.337 2.802 577 1HB ALA 77 1HB ALA 77 0.725 12.245 5.259 578 2HB ALA 77 2HB ALA 77 2.210 11.595 4.565 579 3HB ALA 77 3HB ALA 77 0.970 10.500 5.179 580 H ARG 78 H ARG 78 2.376 11.473 1.583 581 HA ARG 78 HA ARG 78 2.030 8.710 0.694 582 1HB ARG 78 2HB ARG 78 3.966 10.798 -0.325 583 2HB ARG 78 1HB ARG 78 3.615 9.250 -1.072 584 1HG ARG 78 2HG ARG 78 1.320 9.994 -1.500 585 2HG ARG 78 1HG ARG 78 1.712 11.562 -0.789 586 1HD ARG 78 2HD ARG 78 2.178 12.120 -2.922 587 2HD ARG 78 1HD ARG 78 3.710 11.329 -2.584 588 HE ARG 78 HE ARG 78 1.919 9.403 -3.522 589 1HH1 ARG 78 1HH1 ARG 78 3.689 12.205 -4.678 590 2HH1 ARG 78 2HH1 ARG 78 3.633 11.705 -6.338 591 1HH2 ARG 78 1HH2 ARG 78 1.855 8.759 -5.714 592 2HH2 ARG 78 2HH2 ARG 78 2.594 9.768 -6.928 593 H GLN 79 H GLN 79 3.212 7.126 1.548 594 HA GLN 79 HA GLN 79 5.862 7.810 2.646 595 1HB GLN 79 2HB GLN 79 4.102 6.912 4.263 596 2HB GLN 79 1HB GLN 79 4.195 5.398 3.385 597 1HG GLN 79 2HG GLN 79 6.512 5.140 3.966 598 2HG GLN 79 1HG GLN 79 6.533 6.727 4.731 599 1HE2 GLN 79 1HE2 GLN 79 3.825 4.554 5.039 600 2HE2 GLN 79 2HE2 GLN 79 4.080 4.156 6.698 601 H LEU 80 H LEU 80 7.339 7.274 1.121 602 HA LEU 80 HA LEU 80 6.813 5.089 -0.697 603 1HB LEU 80 2HB LEU 80 7.947 7.125 -1.490 604 2HB LEU 80 1HB LEU 80 9.276 6.808 -0.388 605 HG LEU 80 HG LEU 80 9.695 4.668 -1.597 606 1HD1 LEU 80 1HD1 LEU 80 7.679 5.787 -3.540 607 2HD1 LEU 80 2HD1 LEU 80 7.482 4.343 -2.548 608 3HD1 LEU 80 3HD1 LEU 80 8.706 4.380 -3.817 609 1HD2 LEU 80 1HD2 LEU 80 9.803 7.184 -3.255 610 2HD2 LEU 80 2HD2 LEU 80 10.739 5.718 -3.548 611 3HD2 LEU 80 3HD2 LEU 80 11.010 6.658 -2.080 612 H ILE 81 H ILE 81 7.087 3.082 -0.014 613 HA ILE 81 HA ILE 81 9.174 2.553 1.984 614 HB ILE 81 HB ILE 81 7.938 0.474 2.491 615 1HG1 ILE 81 2HG1 ILE 81 5.736 1.607 0.750 616 2HG1 ILE 81 1HG1 ILE 81 6.822 0.331 0.216 617 1HG2 ILE 81 1HG2 ILE 81 6.387 3.047 2.685 618 2HG2 ILE 81 2HG2 ILE 81 7.578 2.437 3.834 619 3HG2 ILE 81 3HG2 ILE 81 6.042 1.595 3.622 620 1HD1 ILE 81 1HD1 ILE 81 4.692 -0.559 0.989 621 2HD1 ILE 81 2HD1 ILE 81 4.956 0.174 2.572 622 3HD1 ILE 81 3HD1 ILE 81 6.022 -1.113 2.005 623 H GLN 82 H GLN 82 10.594 0.857 1.726 624 HA GLN 82 HA GLN 82 11.158 0.216 -1.056 625 1HB GLN 82 2HB GLN 82 12.738 0.988 1.031 626 2HB GLN 82 1HB GLN 82 12.945 -0.754 1.094 627 1HG GLN 82 2HG GLN 82 13.547 1.066 -1.219 628 2HG GLN 82 1HG GLN 82 14.705 0.215 -0.200 629 1HE2 GLN 82 1HE2 GLN 82 12.525 0.011 -2.839 630 2HE2 GLN 82 2HE2 GLN 82 12.935 -1.598 -3.337 631 H THR 83 H THR 83 9.978 -1.567 -1.744 632 HA THR 83 HA THR 83 9.792 -3.833 0.121 633 HB THR 83 HB THR 83 7.965 -4.650 -1.061 634 HG1 THR 83 HG1 THR 83 8.523 -3.021 -3.325 635 1HG2 THR 83 1HG2 THR 83 6.460 -2.782 -1.535 636 2HG2 THR 83 2HG2 THR 83 7.835 -1.677 -1.571 637 3HG2 THR 83 3HG2 THR 83 7.391 -2.484 -0.067 638 HA PRO 84 HA PRO 84 12.751 -6.391 -1.947 639 1HB PRO 84 2HB PRO 84 10.671 -8.466 -2.360 640 2HB PRO 84 1HB PRO 84 12.226 -8.580 -1.530 641 1HG PRO 84 2HG PRO 84 9.946 -8.508 -0.149 642 2HG PRO 84 1HG PRO 84 11.394 -7.668 0.436 643 1HD PRO 84 2HD PRO 84 8.966 -6.557 -0.911 644 2HD PRO 84 1HD PRO 84 9.918 -5.888 0.431 645 H TYR 85 H TYR 85 9.705 -5.780 -3.488 646 HA TYR 85 HA TYR 85 10.706 -6.682 -6.088 647 1HB TYR 85 2HB TYR 85 7.977 -5.579 -5.397 648 2HB TYR 85 1HB TYR 85 8.440 -6.404 -6.880 649 HD1 TYR 85 HD1 TYR 85 9.245 -8.866 -6.626 650 HD2 TYR 85 HD2 TYR 85 7.026 -6.785 -3.652 651 HE1 TYR 85 HE1 TYR 85 8.552 -11.014 -5.648 652 HE2 TYR 85 HE2 TYR 85 6.327 -8.924 -2.667 653 HH TYR 85 HH TYR 85 7.772 -11.879 -3.454 654 H GLY 86 H GLY 86 10.823 -3.970 -4.232 655 1HA GLY 86 2HA GLY 86 12.021 -2.105 -5.456 656 2HA GLY 86 1HA GLY 86 10.631 -2.132 -6.534 657 H SER 87 H SER 87 11.493 0.127 -5.031 658 HA SER 87 HA SER 87 10.001 0.462 -2.670 659 1HB SER 87 2HB SER 87 10.927 2.582 -4.604 660 2HB SER 87 1HB SER 87 10.523 2.813 -2.908 661 HG SER 87 HG SER 87 12.677 2.602 -2.869 662 H ALA 88 H ALA 88 7.927 0.905 -2.339 663 HA ALA 88 HA ALA 88 6.264 1.616 -4.670 664 1HB ALA 88 1HB ALA 88 5.995 -0.754 -4.097 665 2HB ALA 88 2HB ALA 88 4.511 0.158 -3.827 666 3HB ALA 88 3HB ALA 88 5.525 -0.300 -2.459 667 H TRP 89 H TRP 89 4.424 2.879 -4.247 668 HA TRP 89 HA TRP 89 4.784 4.722 -2.072 669 1HB TRP 89 2HB TRP 89 2.719 4.567 -4.273 670 2HB TRP 89 1HB TRP 89 2.771 5.850 -3.076 671 HD1 TRP 89 HD1 TRP 89 4.394 4.709 -6.266 672 HE1 TRP 89 HE1 TRP 89 6.070 6.487 -7.030 673 HE3 TRP 89 HE3 TRP 89 4.421 7.656 -2.091 674 HZ2 TRP 89 HZ2 TRP 89 7.276 8.836 -6.001 675 HZ3 TRP 89 HZ3 TRP 89 5.869 9.639 -2.054 676 HH2 TRP 89 HH2 TRP 89 7.263 10.218 -3.973 677 H MET 90 H MET 90 3.989 4.474 -0.129 678 HA MET 90 HA MET 90 1.503 2.948 0.283 679 1HB MET 90 2HB MET 90 3.599 2.258 1.511 680 2HB MET 90 1HB MET 90 3.567 3.823 2.321 681 1HG MET 90 2HG MET 90 1.366 3.247 3.265 682 2HG MET 90 1HG MET 90 1.489 1.654 2.520 683 1HE MET 90 1HE MET 90 2.064 0.819 6.281 684 2HE MET 90 2HE MET 90 1.190 0.387 4.811 685 3HE MET 90 3HE MET 90 0.928 1.961 5.561 686 H TYR 91 H TYR 91 -0.279 4.226 0.526 687 HA TYR 91 HA TYR 91 0.147 7.007 1.304 688 1HB TYR 91 2HB TYR 91 -2.288 5.640 0.141 689 2HB TYR 91 1HB TYR 91 -2.227 7.337 0.598 690 HD1 TYR 91 HD1 TYR 91 -1.065 4.833 -1.822 691 HD2 TYR 91 HD2 TYR 91 -1.001 8.939 -0.721 692 HE1 TYR 91 HE1 TYR 91 -0.150 5.404 -4.032 693 HE2 TYR 91 HE2 TYR 91 -0.092 9.523 -2.926 694 HH TYR 91 HH TYR 91 -0.067 7.384 -5.532 695 H VAL 92 H VAL 92 0.133 7.380 3.384 696 HA VAL 92 HA VAL 92 -1.249 5.666 5.227 697 HB VAL 92 HB VAL 92 0.540 8.060 5.511 698 1HG1 VAL 92 1HG1 VAL 92 -1.065 6.841 7.756 699 2HG1 VAL 92 2HG1 VAL 92 -1.264 8.471 7.112 700 3HG1 VAL 92 3HG1 VAL 92 0.231 8.023 7.936 701 1HG2 VAL 92 1HG2 VAL 92 0.589 5.298 6.713 702 2HG2 VAL 92 2HG2 VAL 92 1.854 6.522 6.844 703 3HG2 VAL 92 3HG2 VAL 92 1.482 5.805 5.276 704 H TYR 93 H TYR 93 -3.289 5.846 5.729 705 HA TYR 93 HA TYR 93 -4.935 7.985 4.880 706 1HB TYR 93 2HB TYR 93 -5.779 5.671 5.263 707 2HB TYR 93 1HB TYR 93 -5.527 5.892 6.991 708 HD1 TYR 93 HD1 TYR 93 -7.379 6.470 8.248 709 HD2 TYR 93 HD2 TYR 93 -7.229 7.649 4.162 710 HE1 TYR 93 HE1 TYR 93 -9.626 7.452 8.453 711 HE2 TYR 93 HE2 TYR 93 -9.470 8.632 4.358 712 HH TYR 93 HH TYR 93 -11.510 8.296 5.832 713 H GLN 94 H GLN 94 -5.146 9.887 5.714 714 HA GLN 94 HA GLN 94 -4.028 10.417 8.349 715 1HB GLN 94 2HB GLN 94 -3.909 11.718 5.876 716 2HB GLN 94 1HB GLN 94 -4.991 12.705 6.839 717 1HG GLN 94 2HG GLN 94 -3.011 13.675 7.375 718 2HG GLN 94 1HG GLN 94 -3.075 12.438 8.620 719 1HE2 GLN 94 1HE2 GLN 94 -2.475 10.288 6.661 720 2HE2 GLN 94 2HE2 GLN 94 -0.783 10.436 6.363 721 H ARG 95 H ARG 95 -5.392 12.564 9.171 722 HA ARG 95 HA ARG 95 -7.324 13.458 9.970 723 1HB ARG 95 2HB ARG 95 -8.907 11.542 8.261 724 2HB ARG 95 1HB ARG 95 -9.397 13.118 8.866 725 1HG ARG 95 2HG ARG 95 -7.603 14.106 7.379 726 2HG ARG 95 1HG ARG 95 -7.439 12.506 6.670 727 1HD ARG 95 2HD ARG 95 -9.978 14.123 6.755 728 2HD ARG 95 1HD ARG 95 -8.924 13.941 5.353 729 HE ARG 95 HE ARG 95 -9.656 11.391 6.252 730 1HH1 ARG 95 1HH1 ARG 95 -11.122 14.211 4.807 731 2HH1 ARG 95 2HH1 ARG 95 -12.343 13.312 3.961 732 1HH2 ARG 95 1HH2 ARG 95 -11.282 10.188 5.165 733 2HH2 ARG 95 2HH2 ARG 95 -12.426 11.018 4.160 734 HA PRO 96 HA PRO 96 -8.730 10.948 13.361 735 1HB PRO 96 2HB PRO 96 -11.540 11.522 12.536 736 2HB PRO 96 1HB PRO 96 -10.771 11.704 14.118 737 1HG PRO 96 2HG PRO 96 -11.243 13.839 12.625 738 2HG PRO 96 1HG PRO 96 -9.719 13.694 13.520 739 1HD PRO 96 2HD PRO 96 -10.250 13.294 10.608 740 2HD PRO 96 1HD PRO 96 -8.848 14.031 11.408 741 H VAL 97 H VAL 97 -8.533 8.817 13.256 742 HA VAL 97 HA VAL 97 -10.158 7.300 11.334 743 HB VAL 97 HB VAL 97 -8.606 5.433 11.709 744 1HG1 VAL 97 1HG1 VAL 97 -7.238 8.033 11.011 745 2HG1 VAL 97 2HG1 VAL 97 -8.131 6.987 9.908 746 3HG1 VAL 97 3HG1 VAL 97 -6.628 6.421 10.635 747 1HG2 VAL 97 1HG2 VAL 97 -7.131 7.373 13.500 748 2HG2 VAL 97 2HG2 VAL 97 -6.546 5.783 13.005 749 3HG2 VAL 97 3HG2 VAL 97 -7.984 5.919 14.017 750 H ASP 98 H ASP 98 -10.376 8.288 14.405 751 HA ASP 98 HA ASP 98 -10.944 5.962 15.883 752 1HB ASP 98 2HB ASP 98 -11.944 7.479 17.512 753 2HB ASP 98 1HB ASP 98 -10.412 8.113 16.926 754 H GLY 99 H GLY 99 -12.406 6.383 13.239 755 1HA GLY 99 2HA GLY 99 -15.123 5.882 14.278 756 2HA GLY 99 1HA GLY 99 -14.858 6.935 12.897 757 H LEU 100 H LEU 100 -12.723 4.280 13.029 758 HA LEU 100 HA LEU 100 -14.523 2.533 11.583 759 1HB LEU 100 2HB LEU 100 -12.763 2.133 9.793 760 2HB LEU 100 1HB LEU 100 -13.737 3.570 9.667 761 HG LEU 100 HG LEU 100 -11.400 3.890 8.993 762 1HD1 LEU 100 1HD1 LEU 100 -12.657 5.804 9.709 763 2HD1 LEU 100 2HD1 LEU 100 -10.976 5.948 10.221 764 3HD1 LEU 100 3HD1 LEU 100 -12.218 5.493 11.389 765 1HD2 LEU 100 1HD2 LEU 100 -10.766 3.341 11.875 766 2HD2 LEU 100 2HD2 LEU 100 -9.643 4.011 10.690 767 3HD2 LEU 100 3HD2 LEU 100 -10.281 2.380 10.478 768 H LYS 101 H LYS 101 -13.140 0.474 10.874 769 HA LYS 101 HA LYS 101 -12.343 -0.623 13.404 770 1HB LYS 101 2HB LYS 101 -12.542 -1.801 10.633 771 2HB LYS 101 1HB LYS 101 -11.978 -2.720 12.019 772 1HG LYS 101 2HG LYS 101 -14.114 -2.367 13.138 773 2HG LYS 101 1HG LYS 101 -14.684 -1.429 11.756 774 1HD LYS 101 2HD LYS 101 -15.509 -3.749 11.709 775 2HD LYS 101 1HD LYS 101 -14.488 -3.378 10.320 776 1HE LYS 101 2HE LYS 101 -12.594 -4.475 11.427 777 2HE LYS 101 1HE LYS 101 -13.622 -4.849 12.810 778 1HZ LYS 101 1HZ LYS 101 -14.921 -6.313 11.500 779 2HZ LYS 101 2HZ LYS 101 -13.302 -6.696 11.164 780 3HZ LYS 101 3HZ LYS 101 -14.206 -5.788 10.055 781 H LEU 102 H LEU 102 -10.373 -1.346 14.036 782 HA LEU 102 HA LEU 102 -8.078 -0.624 12.335 783 1HB LEU 102 2HB LEU 102 -8.070 0.573 14.436 784 2HB LEU 102 1HB LEU 102 -8.293 -0.915 15.335 785 HG LEU 102 HG LEU 102 -6.055 -1.672 14.638 786 1HD1 LEU 102 1HD1 LEU 102 -5.914 -0.496 12.507 787 2HD1 LEU 102 2HD1 LEU 102 -4.531 -0.120 13.535 788 3HD1 LEU 102 3HD1 LEU 102 -5.841 1.047 13.357 789 1HD2 LEU 102 1HD2 LEU 102 -4.770 -0.094 15.985 790 2HD2 LEU 102 2HD2 LEU 102 -6.325 -0.459 16.734 791 3HD2 LEU 102 3HD2 LEU 102 -6.090 1.070 15.886 792 H ILE 103 H ILE 103 -7.358 -2.326 11.285 793 HA ILE 103 HA ILE 103 -7.540 -4.986 12.470 794 HB ILE 103 HB ILE 103 -6.889 -4.185 9.624 795 1HG1 ILE 103 2HG1 ILE 103 -9.466 -5.291 10.757 796 2HG1 ILE 103 1HG1 ILE 103 -9.213 -3.618 10.273 797 1HG2 ILE 103 1HG2 ILE 103 -7.491 -6.881 10.831 798 2HG2 ILE 103 2HG2 ILE 103 -5.933 -6.327 10.219 799 3HG2 ILE 103 3HG2 ILE 103 -7.286 -6.552 9.110 800 1HD1 ILE 103 1HD1 ILE 103 -8.817 -4.366 7.967 801 2HD1 ILE 103 2HD1 ILE 103 -10.416 -4.821 8.559 802 3HD1 ILE 103 3HD1 ILE 103 -9.133 -6.029 8.466 803 H GLU 104 H GLU 104 -5.810 -4.906 13.849 804 HA GLU 104 HA GLU 104 -3.247 -3.910 13.163 805 1HB GLU 104 2HB GLU 104 -3.308 -6.083 15.152 806 2HB GLU 104 1HB GLU 104 -2.664 -4.455 15.290 807 1HG GLU 104 2HG GLU 104 -4.350 -4.398 16.831 808 2HG GLU 104 1HG GLU 104 -5.181 -3.775 15.408 809 H SER 105 H SER 105 -4.930 -6.814 12.547 810 HA SER 105 HA SER 105 -2.634 -8.504 12.226 811 1HB SER 105 2HB SER 105 -4.427 -10.019 11.116 812 2HB SER 105 1HB SER 105 -4.541 -9.682 12.845 813 HG SER 105 HG SER 105 -6.337 -9.202 10.951 814 H GLY 106 H GLY 106 -4.132 -6.172 10.282 815 1HA GLY 106 2HA GLY 106 -3.573 -5.380 8.202 816 2HA GLY 106 1HA GLY 106 -2.212 -6.489 8.220 817 H ASP 107 H ASP 107 -5.576 -7.448 8.498 818 HA ASP 107 HA ASP 107 -5.365 -8.698 5.840 819 1HB ASP 107 2HB ASP 107 -6.894 -10.452 6.666 820 2HB ASP 107 1HB ASP 107 -5.406 -10.394 7.603 821 H TRP 108 H TRP 108 -7.741 -9.282 5.074 822 HA TRP 108 HA TRP 108 -9.441 -6.929 5.596 823 1HB TRP 108 2HB TRP 108 -10.177 -8.188 3.128 824 2HB TRP 108 1HB TRP 108 -9.613 -6.547 3.389 825 HD1 TRP 108 HD1 TRP 108 -8.612 -9.740 1.793 826 HE1 TRP 108 HE1 TRP 108 -6.170 -9.557 0.944 827 HE3 TRP 108 HE3 TRP 108 -7.311 -5.466 4.179 828 HZ2 TRP 108 HZ2 TRP 108 -3.978 -7.773 1.296 829 HZ3 TRP 108 HZ3 TRP 108 -5.065 -4.582 3.919 830 HH2 TRP 108 HH2 TRP 108 -3.409 -5.701 2.497 831 H LEU 109 H LEU 109 -9.206 -10.372 5.128 832 HA LEU 109 HA LEU 109 -12.087 -10.737 5.424 833 1HB LEU 109 2HB LEU 109 -9.854 -12.500 4.505 834 2HB LEU 109 1HB LEU 109 -11.371 -13.204 5.016 835 HG LEU 109 HG LEU 109 -12.525 -11.854 3.257 836 1HD1 LEU 109 1HD1 LEU 109 -9.715 -11.238 2.368 837 2HD1 LEU 109 2HD1 LEU 109 -10.882 -10.077 3.001 838 3HD1 LEU 109 3HD1 LEU 109 -11.189 -10.886 1.465 839 1HD2 LEU 109 1HD2 LEU 109 -11.744 -13.247 1.391 840 2HD2 LEU 109 2HD2 LEU 109 -11.978 -14.171 2.876 841 3HD2 LEU 109 3HD2 LEU 109 -10.350 -13.729 2.360 842 H ASP 110 H ASP 110 -9.240 -10.852 7.185 843 HA ASP 110 HA ASP 110 -8.545 -11.491 9.197 844 1HB ASP 110 2HB ASP 110 -10.019 -11.284 11.079 845 2HB ASP 110 1HB ASP 110 -10.359 -10.009 9.924 846 H ARG 111 H ARG 111 -10.095 -13.605 7.350 847 HA ARG 111 HA ARG 111 -9.372 -15.796 9.150 848 1HB ARG 111 2HB ARG 111 -11.668 -15.702 7.204 849 2HB ARG 111 1HB ARG 111 -11.140 -17.137 8.077 850 1HG ARG 111 2HG ARG 111 -12.075 -16.476 9.994 851 2HG ARG 111 1HG ARG 111 -11.624 -14.789 9.745 852 1HD ARG 111 2HD ARG 111 -13.595 -15.512 7.810 853 2HD ARG 111 1HD ARG 111 -14.160 -15.974 9.412 854 HE ARG 111 HE ARG 111 -13.035 -13.369 9.440 855 1HH1 ARG 111 1HH1 ARG 111 -15.988 -15.095 8.601 856 2HH1 ARG 111 2HH1 ARG 111 -16.977 -13.678 8.759 857 1HH2 ARG 111 1HH2 ARG 111 -14.314 -11.554 9.615 858 2HH2 ARG 111 2HH2 ARG 111 -16.030 -11.662 9.318 859 H ASP 112 H ASP 112 -7.359 -15.702 8.206 860 HA ASP 112 HA ASP 112 -7.051 -16.242 5.370 861 1HB ASP 112 2HB ASP 112 -4.923 -15.960 7.493 862 2HB ASP 112 1HB ASP 112 -4.679 -15.949 5.761 863 H LYS 113 H LYS 113 -7.764 -18.050 7.932 864 HA LYS 113 HA LYS 113 -5.827 -20.132 7.776 865 1HB LYS 113 2HB LYS 113 -7.098 -19.585 9.843 866 2HB LYS 113 1HB LYS 113 -8.555 -20.169 9.051 867 1HG LYS 113 2HG LYS 113 -7.394 -22.386 8.795 868 2HG LYS 113 1HG LYS 113 -6.137 -21.749 9.852 869 1HD LYS 113 2HD LYS 113 -9.052 -22.146 10.508 870 2HD LYS 113 1HD LYS 113 -7.679 -23.019 11.185 871 1HE LYS 113 2HE LYS 113 -8.188 -20.068 11.520 872 2HE LYS 113 1HE LYS 113 -8.595 -21.300 12.710 873 1HZ LYS 113 1HZ LYS 113 -6.291 -21.833 12.963 874 2HZ LYS 113 2HZ LYS 113 -6.489 -20.159 13.169 875 3HZ LYS 113 3HZ LYS 113 -5.848 -20.763 11.722 Start of MODEL 3 1 1H MET 1 1HT MET 1 5.977 2.527 -13.651 2 2H MET 1 2HT MET 1 4.851 1.314 -13.281 3 3H MET 1 3HT MET 1 6.485 1.102 -12.887 4 HA MET 1 HA MET 1 6.378 2.889 -11.311 5 1HB MET 1 2HB MET 1 4.363 3.853 -12.737 6 2HB MET 1 1HB MET 1 3.429 2.997 -11.520 7 1HG MET 1 2HG MET 1 5.583 4.971 -10.841 8 2HG MET 1 1HG MET 1 3.891 5.418 -11.054 9 1HE MET 1 1HE MET 1 2.165 3.241 -8.343 10 2HE MET 1 2HE MET 1 2.628 2.650 -9.942 11 3HE MET 1 3HE MET 1 1.964 4.273 -9.764 12 H ARG 2 H ARG 2 6.015 2.213 -9.115 13 HA ARG 2 HA ARG 2 4.567 -0.338 -8.887 14 1HB ARG 2 2HB ARG 2 7.322 0.380 -8.083 15 2HB ARG 2 1HB ARG 2 6.412 -0.623 -6.965 16 1HG ARG 2 2HG ARG 2 6.124 -2.328 -8.574 17 2HG ARG 2 1HG ARG 2 6.688 -1.284 -9.879 18 1HD ARG 2 2HD ARG 2 8.436 -2.041 -7.557 19 2HD ARG 2 1HD ARG 2 8.313 -3.035 -9.007 20 HE ARG 2 HE ARG 2 8.932 -0.265 -9.509 21 1HH1 ARG 2 1HH1 ARG 2 10.254 -3.434 -8.806 22 2HH1 ARG 2 2HH1 ARG 2 11.777 -3.097 -9.574 23 1HH2 ARG 2 1HH2 ARG 2 10.922 0.164 -10.528 24 2HH2 ARG 2 2HH2 ARG 2 12.164 -1.060 -10.549 25 H ILE 3 H ILE 3 3.231 -0.622 -7.240 26 HA ILE 3 HA ILE 3 3.153 1.402 -5.121 27 HB ILE 3 HB ILE 3 1.579 2.116 -6.890 28 1HG1 ILE 3 2HG1 ILE 3 0.203 1.135 -4.376 29 2HG1 ILE 3 1HG1 ILE 3 1.110 2.637 -4.522 30 1HG2 ILE 3 1HG2 ILE 3 -0.446 0.793 -7.334 31 2HG2 ILE 3 2HG2 ILE 3 0.203 -0.512 -6.340 32 3HG2 ILE 3 3HG2 ILE 3 1.024 -0.047 -7.829 33 1HD1 ILE 3 1HD1 ILE 3 -1.419 1.947 -5.998 34 2HD1 ILE 3 2HD1 ILE 3 -0.508 3.451 -6.161 35 3HD1 ILE 3 3HD1 ILE 3 -1.274 3.044 -4.625 36 H PHE 4 H PHE 4 2.235 0.703 -3.188 37 HA PHE 4 HA PHE 4 2.074 -2.194 -2.880 38 1HB PHE 4 2HB PHE 4 3.491 -0.856 -1.343 39 2HB PHE 4 1HB PHE 4 2.065 0.021 -0.815 40 HD1 PHE 4 HD1 PHE 4 3.626 -3.332 -0.891 41 HD2 PHE 4 HD2 PHE 4 0.726 -0.793 0.918 42 HE1 PHE 4 HE1 PHE 4 3.281 -4.996 0.881 43 HE2 PHE 4 HE2 PHE 4 0.374 -2.459 2.697 44 HZ PHE 4 HZ PHE 4 1.655 -4.562 2.678 45 H VAL 5 H VAL 5 0.118 -3.098 -3.130 46 HA VAL 5 HA VAL 5 -2.245 -1.406 -2.813 47 HB VAL 5 HB VAL 5 -2.004 -4.146 -4.068 48 1HG1 VAL 5 1HG1 VAL 5 -4.248 -3.702 -4.954 49 2HG1 VAL 5 2HG1 VAL 5 -4.300 -2.187 -4.053 50 3HG1 VAL 5 3HG1 VAL 5 -4.241 -3.723 -3.190 51 1HG2 VAL 5 1HG2 VAL 5 -2.253 -2.953 -6.201 52 2HG2 VAL 5 2HG2 VAL 5 -0.796 -2.457 -5.341 53 3HG2 VAL 5 3HG2 VAL 5 -2.219 -1.415 -5.337 54 H TYR 6 H TYR 6 -3.591 -1.608 -1.190 55 HA TYR 6 HA TYR 6 -3.618 -4.063 0.402 56 1HB TYR 6 2HB TYR 6 -3.773 -2.547 2.468 57 2HB TYR 6 1HB TYR 6 -2.191 -2.716 1.717 58 HD1 TYR 6 HD1 TYR 6 -4.876 -0.417 2.561 59 HD2 TYR 6 HD2 TYR 6 -1.285 -0.871 0.326 60 HE1 TYR 6 HE1 TYR 6 -4.729 2.023 2.300 61 HE2 TYR 6 HE2 TYR 6 -1.130 1.566 0.066 62 HH TYR 6 HH TYR 6 -2.772 3.721 1.875 63 H GLY 7 H GLY 7 -5.200 -0.962 -0.304 64 1HA GLY 7 2HA GLY 7 -7.658 -1.669 0.943 65 2HA GLY 7 1HA GLY 7 -7.405 -0.326 -0.162 66 H SER 8 H SER 8 -8.001 -3.787 0.038 67 HA SER 8 HA SER 8 -8.844 -5.326 -1.378 68 1HB SER 8 2HB SER 8 -10.904 -4.620 -2.630 69 2HB SER 8 1HB SER 8 -10.919 -4.240 -0.911 70 HG SER 8 HG SER 8 -9.864 -2.220 -2.412 71 H LEU 9 H LEU 9 -7.261 -5.963 -2.718 72 HA LEU 9 HA LEU 9 -6.070 -4.482 -4.734 73 1HB LEU 9 2HB LEU 9 -5.099 -6.504 -5.543 74 2HB LEU 9 1HB LEU 9 -5.166 -6.593 -3.795 75 HG LEU 9 HG LEU 9 -7.232 -7.918 -5.547 76 1HD1 LEU 9 1HD1 LEU 9 -5.970 -9.985 -5.289 77 2HD1 LEU 9 2HD1 LEU 9 -4.685 -9.107 -4.460 78 3HD1 LEU 9 3HD1 LEU 9 -5.028 -8.773 -6.158 79 1HD2 LEU 9 1HD2 LEU 9 -6.363 -8.361 -2.689 80 2HD2 LEU 9 2HD2 LEU 9 -7.563 -9.322 -3.554 81 3HD2 LEU 9 3HD2 LEU 9 -7.872 -7.618 -3.219 82 H ARG 10 H ARG 10 -8.984 -6.453 -4.870 83 HA ARG 10 HA ARG 10 -9.319 -6.418 -7.666 84 1HB ARG 10 2HB ARG 10 -11.342 -6.589 -5.430 85 2HB ARG 10 1HB ARG 10 -11.772 -6.722 -7.129 86 1HG ARG 10 2HG ARG 10 -10.227 -8.656 -7.310 87 2HG ARG 10 1HG ARG 10 -9.978 -8.560 -5.566 88 1HD ARG 10 2HD ARG 10 -12.356 -8.927 -5.193 89 2HD ARG 10 1HD ARG 10 -12.635 -8.973 -6.933 90 HE ARG 10 HE ARG 10 -10.719 -10.908 -5.938 91 1HH1 ARG 10 1HH1 ARG 10 -14.076 -10.272 -6.759 92 2HH1 ARG 10 2HH1 ARG 10 -14.483 -11.959 -6.916 93 1HH2 ARG 10 1HH2 ARG 10 -11.242 -13.097 -6.186 94 2HH2 ARG 10 2HH2 ARG 10 -12.858 -13.570 -6.616 95 H HIS 11 H HIS 11 -10.897 -4.401 -5.201 96 HA HIS 11 HA HIS 11 -11.721 -2.301 -5.210 97 1HB HIS 11 2HB HIS 11 -9.380 -1.706 -5.653 98 2HB HIS 11 1HB HIS 11 -9.664 -1.857 -7.383 99 HD1 HIS 11 HD1 HIS 11 -10.410 0.216 -8.569 100 HD2 HIS 11 HD2 HIS 11 -10.925 0.483 -4.451 101 HE1 HIS 11 HE1 HIS 11 -11.134 2.584 -8.129 102 HE2 HIS 11 HE2 HIS 11 -11.594 2.675 -5.650 103 H LYS 12 H LYS 12 -10.949 -2.275 -8.649 104 HA LYS 12 HA LYS 12 -13.344 -2.988 -9.778 105 1HB LYS 12 2HB LYS 12 -14.208 -1.043 -8.372 106 2HB LYS 12 1HB LYS 12 -13.278 0.014 -9.426 107 1HG LYS 12 2HG LYS 12 -14.587 -0.577 -11.313 108 2HG LYS 12 1HG LYS 12 -15.373 -1.891 -10.435 109 1HD LYS 12 2HD LYS 12 -16.295 -0.165 -8.869 110 2HD LYS 12 1HD LYS 12 -15.673 1.068 -9.970 111 1HE LYS 12 2HE LYS 12 -17.070 0.262 -11.745 112 2HE LYS 12 1HE LYS 12 -17.581 -1.120 -10.775 113 1HZ LYS 12 1HZ LYS 12 -18.601 0.441 -9.208 114 2HZ LYS 12 2HZ LYS 12 -19.279 0.557 -10.760 115 3HZ LYS 12 3HZ LYS 12 -18.183 1.737 -10.221 116 H GLN 13 H GLN 13 -12.571 -3.457 -11.716 117 HA GLN 13 HA GLN 13 -10.875 -1.479 -13.049 118 1HB GLN 13 2HB GLN 13 -9.596 -3.302 -14.103 119 2HB GLN 13 1HB GLN 13 -9.422 -3.271 -12.360 120 1HG GLN 13 2HG GLN 13 -11.222 -5.146 -13.876 121 2HG GLN 13 1HG GLN 13 -9.612 -5.542 -13.272 122 1HE2 GLN 13 1HE2 GLN 13 -9.275 -5.413 -10.987 123 2HE2 GLN 13 2HE2 GLN 13 -10.587 -5.683 -9.909 124 H GLY 14 H GLY 14 -10.706 -3.105 -15.469 125 1HA GLY 14 2HA GLY 14 -12.219 -4.074 -17.064 126 2HA GLY 14 1HA GLY 14 -13.528 -3.197 -16.287 127 H ASN 15 H ASN 15 -12.141 -0.691 -16.110 128 HA ASN 15 HA ASN 15 -11.851 0.027 -18.939 129 1HB ASN 15 2HB ASN 15 -13.435 1.818 -18.813 130 2HB ASN 15 1HB ASN 15 -14.237 0.373 -18.216 131 1HD2 ASN 15 1HD2 ASN 15 -14.722 0.212 -16.005 132 2HD2 ASN 15 2HD2 ASN 15 -14.730 1.603 -14.973 133 H SER 16 H SER 16 -11.444 0.897 -15.566 134 HA SER 16 HA SER 16 -9.893 3.227 -16.087 135 1HB SER 16 2HB SER 16 -9.961 1.612 -13.532 136 2HB SER 16 1HB SER 16 -9.606 3.330 -13.716 137 HG SER 16 HG SER 16 -11.711 3.203 -13.056 138 H HIS 17 H HIS 17 -7.641 3.401 -15.121 139 HA HIS 17 HA HIS 17 -5.898 1.600 -16.479 140 1HB HIS 17 2HB HIS 17 -5.410 3.836 -14.519 141 2HB HIS 17 1HB HIS 17 -4.103 2.904 -15.236 142 HD1 HIS 17 HD1 HIS 17 -5.521 6.032 -15.633 143 HD2 HIS 17 HD2 HIS 17 -4.711 2.944 -18.314 144 HE1 HIS 17 HE1 HIS 17 -5.377 7.111 -17.905 145 HE2 HIS 17 HE2 HIS 17 -4.978 5.216 -19.521 146 H TRP 18 H TRP 18 -7.601 0.801 -13.924 147 HA TRP 18 HA TRP 18 -5.600 -0.046 -12.060 148 1HB TRP 18 2HB TRP 18 -7.981 0.580 -11.469 149 2HB TRP 18 1HB TRP 18 -8.485 -0.952 -12.181 150 HD1 TRP 18 HD1 TRP 18 -8.764 -2.808 -10.421 151 HE1 TRP 18 HE1 TRP 18 -7.719 -3.361 -8.130 152 HE3 TRP 18 HE3 TRP 18 -5.435 1.068 -10.079 153 HZ2 TRP 18 HZ2 TRP 18 -5.757 -2.302 -6.419 154 HZ3 TRP 18 HZ3 TRP 18 -4.003 1.215 -8.080 155 HH2 TRP 18 HH2 TRP 18 -4.169 -0.437 -6.288 156 H MET 19 H MET 19 -7.202 -1.430 -14.805 157 HA MET 19 HA MET 19 -6.113 -4.086 -14.189 158 1HB MET 19 2HB MET 19 -8.482 -3.993 -14.847 159 2HB MET 19 1HB MET 19 -8.035 -3.215 -16.358 160 1HG MET 19 2HG MET 19 -8.483 -5.528 -16.764 161 2HG MET 19 1HG MET 19 -6.761 -5.228 -16.983 162 1HE MET 19 1HE MET 19 -6.717 -8.862 -15.604 163 2HE MET 19 2HE MET 19 -6.170 -7.769 -16.877 164 3HE MET 19 3HE MET 19 -7.884 -8.160 -16.725 165 H THR 20 H THR 20 -6.019 -1.497 -16.530 166 HA THR 20 HA THR 20 -4.327 -2.925 -18.360 167 HB THR 20 HB THR 20 -4.957 0.023 -18.395 168 HG1 THR 20 HG1 THR 20 -6.910 -0.446 -19.237 169 1HG2 THR 20 1HG2 THR 20 -4.389 -1.956 -20.609 170 2HG2 THR 20 2HG2 THR 20 -3.251 -0.763 -19.981 171 3HG2 THR 20 3HG2 THR 20 -4.712 -0.235 -20.815 172 H ASN 21 H ASN 21 -2.168 -2.838 -18.505 173 HA ASN 21 HA ASN 21 0.005 -2.179 -18.299 174 1HB ASN 21 2HB ASN 21 -0.933 0.246 -16.765 175 2HB ASN 21 1HB ASN 21 0.626 0.013 -17.544 176 1HD2 ASN 21 1HD2 ASN 21 -1.532 2.035 -17.830 177 2HD2 ASN 21 2HD2 ASN 21 -1.893 2.085 -19.522 178 H ALA 22 H ALA 22 -1.959 -3.185 -15.989 179 HA ALA 22 HA ALA 22 -0.073 -2.878 -13.767 180 1HB ALA 22 1HB ALA 22 -1.893 -3.524 -12.318 181 2HB ALA 22 2HB ALA 22 -2.912 -3.891 -13.709 182 3HB ALA 22 3HB ALA 22 -2.426 -2.227 -13.387 183 H GLN 23 H GLN 23 1.041 -4.537 -12.965 184 HA GLN 23 HA GLN 23 0.156 -7.265 -13.566 185 1HB GLN 23 2HB GLN 23 2.437 -7.994 -14.031 186 2HB GLN 23 1HB GLN 23 1.950 -6.745 -15.166 187 1HG GLN 23 2HG GLN 23 3.237 -5.097 -13.970 188 2HG GLN 23 1HG GLN 23 3.650 -6.282 -12.730 189 1HE2 GLN 23 1HE2 GLN 23 5.847 -6.054 -13.079 190 2HE2 GLN 23 2HE2 GLN 23 6.635 -6.687 -14.485 191 H LEU 24 H LEU 24 0.541 -8.754 -11.964 192 HA LEU 24 HA LEU 24 1.030 -7.669 -9.335 193 1HB LEU 24 2HB LEU 24 -0.701 -9.340 -9.627 194 2HB LEU 24 1HB LEU 24 0.459 -10.476 -10.289 195 HG LEU 24 HG LEU 24 1.595 -10.574 -8.095 196 1HD1 LEU 24 1HD1 LEU 24 0.500 -9.626 -6.126 197 2HD1 LEU 24 2HD1 LEU 24 -0.677 -8.826 -7.170 198 3HD1 LEU 24 3HD1 LEU 24 1.025 -8.374 -7.250 199 1HD2 LEU 24 1HD2 LEU 24 -0.140 -11.853 -6.940 200 2HD2 LEU 24 2HD2 LEU 24 -0.113 -12.215 -8.664 201 3HD2 LEU 24 3HD2 LEU 24 -1.362 -11.159 -8.005 202 H LEU 25 H LEU 25 2.878 -7.711 -8.246 203 HA LEU 25 HA LEU 25 5.189 -9.015 -9.460 204 1HB LEU 25 2HB LEU 25 4.942 -7.090 -7.149 205 2HB LEU 25 1HB LEU 25 6.457 -7.753 -7.718 206 HG LEU 25 HG LEU 25 4.608 -5.992 -9.322 207 1HD1 LEU 25 1HD1 LEU 25 7.282 -5.406 -8.063 208 2HD1 LEU 25 2HD1 LEU 25 5.720 -4.798 -7.511 209 3HD1 LEU 25 3HD1 LEU 25 6.351 -4.310 -9.085 210 1HD2 LEU 25 1HD2 LEU 25 5.815 -7.572 -10.731 211 2HD2 LEU 25 2HD2 LEU 25 7.338 -7.094 -9.982 212 3HD2 LEU 25 3HD2 LEU 25 6.433 -5.936 -10.955 213 H GLY 26 H GLY 26 3.411 -8.912 -6.400 214 1HA GLY 26 2HA GLY 26 3.192 -11.540 -5.887 215 2HA GLY 26 1HA GLY 26 4.844 -11.210 -5.373 216 H ASP 27 H ASP 27 3.332 -12.099 -3.425 217 HA ASP 27 HA ASP 27 2.030 -9.910 -2.054 218 1HB ASP 27 2HB ASP 27 1.015 -11.982 -1.613 219 2HB ASP 27 1HB ASP 27 2.559 -12.757 -1.339 220 H PHE 28 H PHE 28 2.632 -9.016 -0.261 221 HA PHE 28 HA PHE 28 5.198 -9.543 0.969 222 1HB PHE 28 2HB PHE 28 5.820 -8.032 -0.874 223 2HB PHE 28 1HB PHE 28 4.647 -6.852 -0.305 224 HD1 PHE 28 HD1 PHE 28 7.078 -8.884 1.649 225 HD2 PHE 28 HD2 PHE 28 5.914 -5.019 0.303 226 HE1 PHE 28 HE1 PHE 28 8.803 -7.865 3.081 227 HE2 PHE 28 HE2 PHE 28 7.635 -3.996 1.727 228 HZ PHE 28 HZ PHE 28 9.078 -5.418 3.127 229 H SER 29 H SER 29 3.898 -10.069 2.711 230 HA SER 29 HA SER 29 2.145 -8.091 3.878 231 1HB SER 29 2HB SER 29 3.050 -10.783 4.941 232 2HB SER 29 1HB SER 29 1.725 -9.809 5.578 233 HG SER 29 HG SER 29 1.864 -10.875 2.938 234 H ILE 30 H ILE 30 2.714 -6.628 5.393 235 HA ILE 30 HA ILE 30 5.497 -6.800 6.337 236 HB ILE 30 HB ILE 30 5.437 -4.295 6.449 237 1HG1 ILE 30 2HG1 ILE 30 2.902 -4.716 4.859 238 2HG1 ILE 30 1HG1 ILE 30 3.038 -3.924 6.423 239 1HG2 ILE 30 1HG2 ILE 30 6.583 -5.481 4.682 240 2HG2 ILE 30 2HG2 ILE 30 5.832 -4.014 4.051 241 3HG2 ILE 30 3HG2 ILE 30 5.085 -5.584 3.757 242 1HD1 ILE 30 1HD1 ILE 30 4.306 -2.116 5.422 243 2HD1 ILE 30 2HD1 ILE 30 2.765 -2.326 4.589 244 3HD1 ILE 30 3HD1 ILE 30 4.254 -2.923 3.855 245 H ASP 31 H ASP 31 5.855 -6.848 8.374 246 HA ASP 31 HA ASP 31 3.676 -6.656 10.256 247 1HB ASP 31 2HB ASP 31 5.428 -7.433 11.872 248 2HB ASP 31 1HB ASP 31 5.174 -8.521 10.515 249 H ASN 32 H ASN 32 3.849 -5.433 12.195 250 HA ASN 32 HA ASN 32 4.109 -3.554 13.408 251 1HB ASN 32 2HB ASN 32 6.630 -3.260 11.781 252 2HB ASN 32 1HB ASN 32 6.169 -2.140 13.061 253 1HD2 ASN 32 1HD2 ASN 32 7.303 -5.339 12.315 254 2HD2 ASN 32 2HD2 ASN 32 7.689 -5.801 13.933 255 H TYR 33 H TYR 33 2.580 -3.688 10.972 256 HA TYR 33 HA TYR 33 2.146 -0.793 10.755 257 1HB TYR 33 2HB TYR 33 1.938 -2.736 8.439 258 2HB TYR 33 1HB TYR 33 1.405 -1.069 8.401 259 HD1 TYR 33 HD1 TYR 33 2.960 0.725 8.103 260 HD2 TYR 33 HD2 TYR 33 4.359 -3.269 8.505 261 HE1 TYR 33 HE1 TYR 33 5.174 1.431 7.309 262 HE2 TYR 33 HE2 TYR 33 6.582 -2.576 7.713 263 HH TYR 33 HH TYR 33 7.560 -0.768 6.343 264 H GLN 34 H GLN 34 -0.160 -0.359 10.016 265 HA GLN 34 HA GLN 34 -1.991 -2.504 10.845 266 1HB GLN 34 2HB GLN 34 -1.994 0.327 11.906 267 2HB GLN 34 1HB GLN 34 -3.287 -0.838 12.171 268 1HG GLN 34 2HG GLN 34 -1.911 -2.227 13.479 269 2HG GLN 34 1HG GLN 34 -0.449 -1.388 12.969 270 1HE2 GLN 34 1HE2 GLN 34 -1.445 -1.923 15.650 271 2HE2 GLN 34 2HE2 GLN 34 -1.592 -0.373 16.420 272 H LEU 35 H LEU 35 -4.015 -2.460 9.906 273 HA LEU 35 HA LEU 35 -4.241 -0.689 7.564 274 1HB LEU 35 2HB LEU 35 -4.155 -3.169 7.217 275 2HB LEU 35 1HB LEU 35 -5.642 -3.310 8.133 276 HG LEU 35 HG LEU 35 -6.668 -1.755 6.365 277 1HD1 LEU 35 1HD1 LEU 35 -4.572 -1.011 5.365 278 2HD1 LEU 35 2HD1 LEU 35 -5.603 -1.812 4.178 279 3HD1 LEU 35 3HD1 LEU 35 -4.219 -2.665 4.863 280 1HD2 LEU 35 1HD2 LEU 35 -7.187 -4.137 6.577 281 2HD2 LEU 35 2HD2 LEU 35 -5.789 -4.534 5.579 282 3HD2 LEU 35 3HD2 LEU 35 -7.143 -3.637 4.887 283 H TYR 36 H TYR 36 -5.866 0.767 7.474 284 HA TYR 36 HA TYR 36 -7.976 0.659 9.518 285 1HB TYR 36 2HB TYR 36 -7.234 2.859 7.575 286 2HB TYR 36 1HB TYR 36 -8.525 2.957 8.765 287 HD1 TYR 36 HD1 TYR 36 -5.091 3.536 8.114 288 HD2 TYR 36 HD2 TYR 36 -7.853 2.708 11.240 289 HE1 TYR 36 HE1 TYR 36 -3.490 4.433 9.742 290 HE2 TYR 36 HE2 TYR 36 -6.262 3.600 12.893 291 HH TYR 36 HH TYR 36 -3.457 5.360 11.973 292 H SER 37 H SER 37 -9.984 0.023 8.997 293 HA SER 37 HA SER 37 -10.663 -0.084 6.140 294 1HB SER 37 2HB SER 37 -12.382 -1.786 6.826 295 2HB SER 37 1HB SER 37 -10.712 -2.291 7.076 296 HG SER 37 HG SER 37 -11.061 -1.468 9.310 297 H LEU 38 H LEU 38 -12.195 1.204 5.404 298 HA LEU 38 HA LEU 38 -14.223 2.261 7.217 299 1HB LEU 38 2HB LEU 38 -13.909 4.555 6.264 300 2HB LEU 38 1HB LEU 38 -12.612 4.004 7.304 301 HG LEU 38 HG LEU 38 -12.320 3.688 4.344 302 1HD1 LEU 38 1HD1 LEU 38 -13.069 6.004 4.675 303 2HD1 LEU 38 2HD1 LEU 38 -11.375 5.925 4.189 304 3HD1 LEU 38 3HD1 LEU 38 -11.797 6.238 5.872 305 1HD2 LEU 38 1HD2 LEU 38 -9.963 4.008 4.897 306 2HD2 LEU 38 2HD2 LEU 38 -10.661 2.710 5.866 307 3HD2 LEU 38 3HD2 LEU 38 -10.390 4.297 6.585 308 H GLY 39 H GLY 39 -13.894 0.437 4.748 309 1HA GLY 39 2HA GLY 39 -15.478 -0.236 3.208 310 2HA GLY 39 1HA GLY 39 -16.437 1.173 3.629 311 H HIS 40 H HIS 40 -15.230 3.309 2.890 312 HA HIS 40 HA HIS 40 -15.550 3.321 0.109 313 1HB HIS 40 2HB HIS 40 -15.798 5.262 1.751 314 2HB HIS 40 1HB HIS 40 -14.051 5.437 1.649 315 HD1 HIS 40 HD1 HIS 40 -14.695 7.877 0.701 316 HD2 HIS 40 HD2 HIS 40 -15.622 4.643 -1.758 317 HE1 HIS 40 HE1 HIS 40 -15.083 8.845 -1.588 318 HE2 HIS 40 HE2 HIS 40 -15.784 6.896 -3.025 319 H TYR 41 H TYR 41 -12.594 3.485 2.052 320 HA TYR 41 HA TYR 41 -11.124 1.976 0.170 321 1HB TYR 41 2HB TYR 41 -9.349 3.879 -0.141 322 2HB TYR 41 1HB TYR 41 -10.737 3.786 -1.211 323 HD1 TYR 41 HD1 TYR 41 -10.389 5.243 2.228 324 HD2 TYR 41 HD2 TYR 41 -11.222 5.941 -1.883 325 HE1 TYR 41 HE1 TYR 41 -10.911 7.582 2.743 326 HE2 TYR 41 HE2 TYR 41 -11.742 8.291 -1.380 327 HH TYR 41 HH TYR 41 -10.924 9.768 1.528 328 HA PRO 42 HA PRO 42 -9.400 1.254 4.257 329 1HB PRO 42 2HB PRO 42 -7.819 -0.702 2.685 330 2HB PRO 42 1HB PRO 42 -8.785 -0.944 4.145 331 1HG PRO 42 2HG PRO 42 -9.660 -1.807 1.781 332 2HG PRO 42 1HG PRO 42 -10.777 -1.093 2.961 333 1HD PRO 42 2HD PRO 42 -9.571 0.135 0.507 334 2HD PRO 42 1HD PRO 42 -11.230 0.262 1.132 335 H GLY 43 H GLY 43 -7.569 1.906 5.252 336 1HA GLY 43 2HA GLY 43 -5.376 2.910 3.540 337 2HA GLY 43 1HA GLY 43 -5.933 3.763 4.974 338 H ALA 44 H ALA 44 -3.382 3.395 5.167 339 HA ALA 44 HA ALA 44 -3.030 1.223 7.047 340 1HB ALA 44 1HB ALA 44 -1.156 0.195 5.871 341 2HB ALA 44 2HB ALA 44 -1.420 1.274 4.501 342 3HB ALA 44 3HB ALA 44 -2.645 0.079 4.931 343 H VAL 45 H VAL 45 -1.106 1.386 8.293 344 HA VAL 45 HA VAL 45 0.663 3.660 7.895 345 HB VAL 45 HB VAL 45 0.290 4.622 10.128 346 1HG1 VAL 45 1HG1 VAL 45 -2.169 4.602 8.393 347 2HG1 VAL 45 2HG1 VAL 45 -0.807 5.722 8.308 348 3HG1 VAL 45 3HG1 VAL 45 -1.874 5.737 9.714 349 1HG2 VAL 45 1HG2 VAL 45 -1.721 4.051 11.422 350 2HG2 VAL 45 2HG2 VAL 45 -0.608 2.691 11.270 351 3HG2 VAL 45 3HG2 VAL 45 -2.067 2.749 10.283 352 HA PRO 46 HA PRO 46 3.360 1.030 10.365 353 1HB PRO 46 2HB PRO 46 4.491 3.342 11.747 354 2HB PRO 46 1HB PRO 46 5.257 2.255 10.589 355 1HG PRO 46 2HG PRO 46 4.671 4.832 10.004 356 2HG PRO 46 1HG PRO 46 4.670 3.544 8.783 357 1HD PRO 46 2HD PRO 46 2.358 4.818 10.202 358 2HD PRO 46 1HD PRO 46 2.508 4.332 8.500 359 H GLY 47 H GLY 47 3.483 0.143 12.443 360 1HA GLY 47 2HA GLY 47 2.780 1.322 14.846 361 2HA GLY 47 1HA GLY 47 1.281 0.712 14.162 362 H ASN 48 H ASN 48 0.746 -1.161 15.050 363 HA ASN 48 HA ASN 48 2.804 -3.211 15.375 364 1HB ASN 48 2HB ASN 48 0.751 -2.518 17.496 365 2HB ASN 48 1HB ASN 48 1.879 -3.865 17.565 366 1HD2 ASN 48 1HD2 ASN 48 4.107 -3.429 17.855 367 2HD2 ASN 48 2HD2 ASN 48 4.628 -1.928 18.547 368 H GLY 49 H GLY 49 2.018 -4.256 13.613 369 1HA GLY 49 2HA GLY 49 -0.010 -6.162 14.021 370 2HA GLY 49 1HA GLY 49 -0.662 -4.850 13.042 371 H THR 50 H THR 50 -0.721 -7.042 11.657 372 HA THR 50 HA THR 50 1.706 -6.909 9.979 373 HB THR 50 HB THR 50 -0.081 -9.330 10.280 374 HG1 THR 50 HG1 THR 50 1.896 -8.399 11.889 375 1HG2 THR 50 1HG2 THR 50 1.720 -10.506 9.131 376 2HG2 THR 50 2HG2 THR 50 2.650 -9.011 9.023 377 3HG2 THR 50 3HG2 THR 50 1.131 -9.171 8.142 378 H VAL 51 H VAL 51 1.302 -6.076 8.011 379 HA VAL 51 HA VAL 51 -1.494 -6.091 7.103 380 HB VAL 51 HB VAL 51 0.732 -4.181 6.372 381 1HG1 VAL 51 1HG1 VAL 51 -0.730 -4.547 4.466 382 2HG1 VAL 51 2HG1 VAL 51 -0.999 -2.941 5.146 383 3HG1 VAL 51 3HG1 VAL 51 -2.146 -4.240 5.473 384 1HG2 VAL 51 1HG2 VAL 51 -0.660 -2.517 7.524 385 2HG2 VAL 51 2HG2 VAL 51 -0.148 -3.814 8.606 386 3HG2 VAL 51 3HG2 VAL 51 -1.793 -3.794 7.970 387 H HIS 52 H HIS 52 -1.805 -7.714 5.779 388 HA HIS 52 HA HIS 52 0.139 -8.765 3.991 389 1HB HIS 52 2HB HIS 52 -1.540 -10.290 4.547 390 2HB HIS 52 1HB HIS 52 -2.815 -9.091 4.412 391 HD1 HIS 52 HD1 HIS 52 -0.332 -10.609 1.916 392 HD2 HIS 52 HD2 HIS 52 -4.366 -9.664 2.326 393 HE1 HIS 52 HE1 HIS 52 -1.411 -11.290 -0.241 394 HE2 HIS 52 HE2 HIS 52 -3.758 -10.414 -0.085 395 H GLY 53 H GLY 53 0.813 -7.853 2.134 396 1HA GLY 53 2HA GLY 53 -1.000 -5.909 0.857 397 2HA GLY 53 1HA GLY 53 0.699 -5.549 1.116 398 H GLU 54 H GLU 54 -1.042 -5.815 -1.303 399 HA GLU 54 HA GLU 54 0.372 -7.939 -2.748 400 1HB GLU 54 2HB GLU 54 -1.752 -6.115 -3.871 401 2HB GLU 54 1HB GLU 54 -1.260 -7.695 -4.458 402 1HG GLU 54 2HG GLU 54 -2.582 -7.339 -1.793 403 2HG GLU 54 1HG GLU 54 -3.509 -7.488 -3.281 404 H VAL 55 H VAL 55 2.354 -7.214 -3.435 405 HA VAL 55 HA VAL 55 2.687 -4.418 -4.119 406 HB VAL 55 HB VAL 55 4.663 -6.690 -4.450 407 1HG1 VAL 55 1HG1 VAL 55 5.205 -4.814 -5.902 408 2HG1 VAL 55 2HG1 VAL 55 6.348 -4.885 -4.558 409 3HG1 VAL 55 3HG1 VAL 55 5.048 -3.695 -4.549 410 1HG2 VAL 55 1HG2 VAL 55 4.034 -6.372 -2.126 411 2HG2 VAL 55 2HG2 VAL 55 4.347 -4.640 -2.258 412 3HG2 VAL 55 3HG2 VAL 55 5.679 -5.791 -2.396 413 H TYR 56 H TYR 56 2.174 -3.585 -5.998 414 HA TYR 56 HA TYR 56 2.002 -5.368 -8.342 415 1HB TYR 56 2HB TYR 56 0.137 -3.296 -7.286 416 2HB TYR 56 1HB TYR 56 0.290 -3.424 -9.032 417 HD1 TYR 56 HD1 TYR 56 -0.597 -5.303 -10.216 418 HD2 TYR 56 HD2 TYR 56 -0.821 -5.144 -5.975 419 HE1 TYR 56 HE1 TYR 56 -2.239 -7.128 -10.243 420 HE2 TYR 56 HE2 TYR 56 -2.467 -6.973 -5.989 421 HH TYR 56 HH TYR 56 -3.103 -8.849 -8.774 422 H ARG 57 H ARG 57 2.600 -4.581 -10.326 423 HA ARG 57 HA ARG 57 3.952 -1.966 -10.357 424 1HB ARG 57 2HB ARG 57 5.334 -3.951 -10.992 425 2HB ARG 57 1HB ARG 57 4.222 -4.272 -12.310 426 1HG ARG 57 2HG ARG 57 5.680 -1.661 -12.091 427 2HG ARG 57 1HG ARG 57 6.421 -3.074 -12.835 428 1HD ARG 57 2HD ARG 57 4.535 -3.192 -14.418 429 2HD ARG 57 1HD ARG 57 3.854 -1.738 -13.690 430 HE ARG 57 HE ARG 57 6.567 -1.530 -14.721 431 1HH1 ARG 57 1HH1 ARG 57 3.146 -0.999 -15.298 432 2HH1 ARG 57 2HH1 ARG 57 3.412 0.168 -16.559 433 1HH2 ARG 57 1HH2 ARG 57 6.919 -0.015 -16.375 434 2HH2 ARG 57 2HH2 ARG 57 5.566 0.723 -17.184 435 H ILE 58 H ILE 58 2.559 -0.467 -10.998 436 HA ILE 58 HA ILE 58 0.682 -1.145 -13.166 437 HB ILE 58 HB ILE 58 -0.819 0.599 -12.330 438 1HG1 ILE 58 2HG1 ILE 58 1.088 0.841 -9.993 439 2HG1 ILE 58 1HG1 ILE 58 0.942 2.020 -11.288 440 1HG2 ILE 58 1HG2 ILE 58 -0.029 -1.405 -10.218 441 2HG2 ILE 58 2HG2 ILE 58 -1.148 -1.678 -11.554 442 3HG2 ILE 58 3HG2 ILE 58 -1.561 -0.533 -10.277 443 1HD1 ILE 58 1HD1 ILE 58 -1.234 1.256 -9.362 444 2HD1 ILE 58 2HD1 ILE 58 -1.365 2.457 -10.648 445 3HD1 ILE 58 3HD1 ILE 58 -0.257 2.722 -9.301 446 H ASP 59 H ASP 59 -0.002 0.840 -14.408 447 HA ASP 59 HA ASP 59 2.117 2.006 -15.738 448 1HB ASP 59 2HB ASP 59 -0.060 1.917 -16.727 449 2HB ASP 59 1HB ASP 59 -0.742 2.919 -15.451 450 H ASN 60 H ASN 60 3.275 3.829 -15.573 451 HA ASN 60 HA ASN 60 3.644 5.050 -13.066 452 1HB ASN 60 2HB ASN 60 4.633 5.627 -15.840 453 2HB ASN 60 1HB ASN 60 4.955 6.767 -14.533 454 1HD2 ASN 60 1HD2 ASN 60 6.288 6.183 -12.856 455 2HD2 ASN 60 2HD2 ASN 60 7.286 4.762 -12.900 456 H ALA 61 H ALA 61 1.984 6.187 -16.016 457 HA ALA 61 HA ALA 61 1.356 8.769 -15.042 458 1HB ALA 61 1HB ALA 61 -0.254 8.862 -16.887 459 2HB ALA 61 2HB ALA 61 -0.034 7.132 -17.159 460 3HB ALA 61 3HB ALA 61 1.310 8.244 -17.419 461 H THR 62 H THR 62 -0.265 5.663 -14.902 462 HA THR 62 HA THR 62 -2.678 6.394 -13.740 463 HB THR 62 HB THR 62 -1.035 3.916 -13.181 464 HG1 THR 62 HG1 THR 62 -1.662 4.506 -15.446 465 1HG2 THR 62 1HG2 THR 62 -3.182 2.869 -12.629 466 2HG2 THR 62 2HG2 THR 62 -4.006 4.407 -12.887 467 3HG2 THR 62 3HG2 THR 62 -2.860 4.235 -11.559 468 H LEU 63 H LEU 63 0.518 6.232 -12.338 469 HA LEU 63 HA LEU 63 -0.263 6.410 -9.611 470 1HB LEU 63 2HB LEU 63 2.015 5.769 -10.128 471 2HB LEU 63 1HB LEU 63 2.282 7.277 -10.987 472 HG LEU 63 HG LEU 63 1.877 8.473 -8.792 473 1HD1 LEU 63 1HD1 LEU 63 2.205 5.688 -7.686 474 2HD1 LEU 63 2HD1 LEU 63 0.734 6.664 -7.627 475 3HD1 LEU 63 3HD1 LEU 63 2.172 7.181 -6.747 476 1HD2 LEU 63 1HD2 LEU 63 4.102 8.196 -9.720 477 2HD2 LEU 63 2HD2 LEU 63 4.228 6.600 -8.978 478 3HD2 LEU 63 3HD2 LEU 63 4.135 8.039 -7.963 479 H ALA 64 H ALA 64 0.725 8.783 -12.055 480 HA ALA 64 HA ALA 64 0.328 11.098 -10.537 481 1HB ALA 64 1HB ALA 64 -0.164 10.744 -13.495 482 2HB ALA 64 2HB ALA 64 1.393 11.095 -12.748 483 3HB ALA 64 3HB ALA 64 0.087 12.277 -12.659 484 H GLU 65 H GLU 65 -1.943 9.001 -12.171 485 HA GLU 65 HA GLU 65 -4.207 10.747 -11.868 486 1HB GLU 65 2HB GLU 65 -4.243 9.090 -13.621 487 2HB GLU 65 1HB GLU 65 -4.001 7.790 -12.464 488 1HG GLU 65 2HG GLU 65 -6.184 8.175 -11.515 489 2HG GLU 65 1HG GLU 65 -6.432 9.563 -12.567 490 H LEU 66 H LEU 66 -3.221 7.733 -10.248 491 HA LEU 66 HA LEU 66 -5.266 7.730 -8.322 492 1HB LEU 66 2HB LEU 66 -4.027 5.733 -8.875 493 2HB LEU 66 1HB LEU 66 -2.529 6.456 -8.325 494 HG LEU 66 HG LEU 66 -4.691 6.220 -6.304 495 1HD1 LEU 66 1HD1 LEU 66 -3.142 3.832 -7.308 496 2HD1 LEU 66 2HD1 LEU 66 -4.878 4.085 -7.484 497 3HD1 LEU 66 3HD1 LEU 66 -4.176 3.871 -5.880 498 1HD2 LEU 66 1HD2 LEU 66 -1.721 5.664 -6.293 499 2HD2 LEU 66 2HD2 LEU 66 -2.780 5.630 -4.882 500 3HD2 LEU 66 3HD2 LEU 66 -2.500 7.146 -5.741 501 H ASP 67 H ASP 67 -2.035 9.124 -8.303 502 HA ASP 67 HA ASP 67 -1.900 9.863 -5.600 503 1HB ASP 67 2HB ASP 67 0.005 9.971 -7.214 504 2HB ASP 67 1HB ASP 67 -0.747 11.378 -7.948 505 H ALA 68 H ALA 68 -2.843 11.819 -8.409 506 HA ALA 68 HA ALA 68 -3.662 14.107 -7.055 507 1HB ALA 68 1HB ALA 68 -4.777 12.963 -9.608 508 2HB ALA 68 2HB ALA 68 -3.335 13.971 -9.475 509 3HB ALA 68 3HB ALA 68 -4.919 14.637 -9.069 510 H LEU 69 H LEU 69 -5.326 11.089 -7.631 511 HA LEU 69 HA LEU 69 -7.892 11.955 -6.779 512 1HB LEU 69 2HB LEU 69 -6.602 9.300 -7.242 513 2HB LEU 69 1HB LEU 69 -8.152 9.379 -6.429 514 HG LEU 69 HG LEU 69 -7.588 10.488 -9.178 515 1HD1 LEU 69 1HD1 LEU 69 -8.927 8.608 -9.984 516 2HD1 LEU 69 2HD1 LEU 69 -9.053 7.988 -8.339 517 3HD1 LEU 69 3HD1 LEU 69 -7.484 8.047 -9.141 518 1HD2 LEU 69 1HD2 LEU 69 -9.334 11.707 -8.024 519 2HD2 LEU 69 2HD2 LEU 69 -10.137 10.198 -7.596 520 3HD2 LEU 69 3HD2 LEU 69 -10.041 10.698 -9.287 521 H ARG 70 H ARG 70 -5.386 9.992 -5.099 522 HA ARG 70 HA ARG 70 -7.087 9.976 -2.754 523 1HB ARG 70 2HB ARG 70 -5.969 7.924 -3.483 524 2HB ARG 70 1HB ARG 70 -4.402 8.669 -3.196 525 1HG ARG 70 2HG ARG 70 -4.836 8.785 -0.840 526 2HG ARG 70 1HG ARG 70 -6.487 8.214 -1.083 527 1HD ARG 70 2HD ARG 70 -3.983 6.654 -1.702 528 2HD ARG 70 1HD ARG 70 -4.989 6.440 -0.270 529 HE ARG 70 HE ARG 70 -6.591 6.165 -2.570 530 1HH1 ARG 70 1HH1 ARG 70 -4.055 4.483 -0.828 531 2HH1 ARG 70 2HH1 ARG 70 -4.545 2.917 -1.375 532 1HH2 ARG 70 1HH2 ARG 70 -7.243 4.115 -3.285 533 2HH2 ARG 70 2HH2 ARG 70 -6.369 2.703 -2.785 534 H THR 71 H THR 71 -4.775 12.127 -3.829 535 HA THR 71 HA THR 71 -4.098 12.851 -1.059 536 HB THR 71 HB THR 71 -2.371 14.341 -1.991 537 HG1 THR 71 HG1 THR 71 -2.709 13.104 -4.510 538 1HG2 THR 71 1HG2 THR 71 -0.834 12.586 -2.753 539 2HG2 THR 71 2HG2 THR 71 -2.201 11.490 -2.960 540 3HG2 THR 71 3HG2 THR 71 -1.770 12.068 -1.350 541 H ARG 72 H ARG 72 -4.632 14.660 -4.069 542 HA ARG 72 HA ARG 72 -5.539 17.017 -2.949 543 1HB ARG 72 2HB ARG 72 -4.911 16.754 -5.298 544 2HB ARG 72 1HB ARG 72 -6.309 15.743 -5.582 545 1HG ARG 72 2HG ARG 72 -6.689 18.536 -4.605 546 2HG ARG 72 1HG ARG 72 -6.310 18.241 -6.301 547 1HD ARG 72 2HD ARG 72 -8.239 16.590 -6.288 548 2HD ARG 72 1HD ARG 72 -8.684 17.278 -4.729 549 HE ARG 72 HE ARG 72 -8.363 19.195 -6.886 550 1HH1 ARG 72 1HH1 ARG 72 -10.559 17.205 -5.027 551 2HH1 ARG 72 2HH1 ARG 72 -11.982 18.039 -5.566 552 1HH2 ARG 72 1HH2 ARG 72 -10.230 20.301 -7.593 553 2HH2 ARG 72 2HH2 ARG 72 -11.795 19.802 -7.024 554 H GLY 73 H GLY 73 -7.277 14.066 -3.691 555 1HA GLY 73 2HA GLY 73 -9.650 15.243 -2.386 556 2HA GLY 73 1HA GLY 73 -9.765 14.127 -3.738 557 H GLY 74 H GLY 74 -7.341 13.603 -1.304 558 1HA GLY 74 2HA GLY 74 -9.010 11.448 -0.171 559 2HA GLY 74 1HA GLY 74 -7.384 11.110 -0.742 560 H GLU 75 H GLU 75 -6.356 13.680 0.253 561 HA GLU 75 HA GLU 75 -5.599 14.740 2.112 562 1HB GLU 75 2HB GLU 75 -8.026 14.463 2.816 563 2HB GLU 75 1HB GLU 75 -7.494 13.060 3.713 564 1HG GLU 75 2HG GLU 75 -7.677 14.990 5.158 565 2HG GLU 75 1HG GLU 75 -5.997 14.466 5.035 566 H TYR 76 H TYR 76 -4.759 11.932 1.159 567 HA TYR 76 HA TYR 76 -3.271 11.186 3.600 568 1HB TYR 76 2HB TYR 76 -3.810 9.339 1.272 569 2HB TYR 76 1HB TYR 76 -3.244 8.914 2.884 570 HD1 TYR 76 HD1 TYR 76 -5.100 10.254 4.660 571 HD2 TYR 76 HD2 TYR 76 -5.852 8.330 0.947 572 HE1 TYR 76 HE1 TYR 76 -7.429 9.876 5.338 573 HE2 TYR 76 HE2 TYR 76 -8.177 7.934 1.610 574 HH TYR 76 HH TYR 76 -9.582 9.441 4.358 575 H ALA 77 H ALA 77 -1.062 10.226 3.138 576 HA ALA 77 HA ALA 77 0.081 11.509 0.737 577 1HB ALA 77 1HB ALA 77 2.069 12.098 1.998 578 2HB ALA 77 2HB ALA 77 1.385 11.374 3.454 579 3HB ALA 77 3HB ALA 77 0.636 12.807 2.745 580 H ARG 78 H ARG 78 1.869 10.483 -0.205 581 HA ARG 78 HA ARG 78 1.861 7.616 0.222 582 1HB ARG 78 2HB ARG 78 3.460 7.757 -1.847 583 2HB ARG 78 1HB ARG 78 1.729 7.981 -2.040 584 1HG ARG 78 2HG ARG 78 1.999 10.373 -2.125 585 2HG ARG 78 1HG ARG 78 3.725 10.220 -1.789 586 1HD ARG 78 2HD ARG 78 4.202 9.427 -3.891 587 2HD ARG 78 1HD ARG 78 2.581 8.776 -4.129 588 HE ARG 78 HE ARG 78 1.809 11.049 -4.505 589 1HH1 ARG 78 1HH1 ARG 78 5.285 10.547 -4.626 590 2HH1 ARG 78 2HH1 ARG 78 5.564 11.913 -5.654 591 1HH2 ARG 78 1HH2 ARG 78 2.180 12.810 -5.877 592 2HH2 ARG 78 2HH2 ARG 78 3.810 13.204 -6.367 593 H GLN 79 H GLN 79 3.311 6.542 1.257 594 HA GLN 79 HA GLN 79 5.883 7.778 1.966 595 1HB GLN 79 2HB GLN 79 4.261 6.751 3.710 596 2HB GLN 79 1HB GLN 79 4.734 5.203 3.043 597 1HG GLN 79 2HG GLN 79 7.064 5.665 3.611 598 2HG GLN 79 1HG GLN 79 6.582 7.212 4.306 599 1HE2 GLN 79 1HE2 GLN 79 4.719 4.258 4.591 600 2HE2 GLN 79 2HE2 GLN 79 4.957 4.049 6.287 601 H LEU 80 H LEU 80 7.648 7.077 0.832 602 HA LEU 80 HA LEU 80 7.224 4.879 -1.012 603 1HB LEU 80 2HB LEU 80 8.265 6.957 -1.812 604 2HB LEU 80 1HB LEU 80 9.605 6.700 -0.706 605 HG LEU 80 HG LEU 80 10.219 4.652 -1.888 606 1HD1 LEU 80 1HD1 LEU 80 7.974 4.005 -2.623 607 2HD1 LEU 80 2HD1 LEU 80 9.116 4.032 -3.968 608 3HD1 LEU 80 3HD1 LEU 80 7.960 5.350 -3.764 609 1HD2 LEU 80 1HD2 LEU 80 9.840 7.007 -3.731 610 2HD2 LEU 80 2HD2 LEU 80 10.978 5.681 -3.965 611 3HD2 LEU 80 3HD2 LEU 80 11.178 6.785 -2.604 612 H ILE 81 H ILE 81 7.591 2.908 -0.379 613 HA ILE 81 HA ILE 81 9.791 2.411 1.510 614 HB ILE 81 HB ILE 81 8.594 0.288 2.066 615 1HG1 ILE 81 2HG1 ILE 81 6.309 1.554 0.550 616 2HG1 ILE 81 1HG1 ILE 81 7.249 0.195 -0.040 617 1HG2 ILE 81 1HG2 ILE 81 6.912 1.380 3.477 618 2HG2 ILE 81 2HG2 ILE 81 7.087 2.858 2.528 619 3HG2 ILE 81 3HG2 ILE 81 8.443 2.257 3.484 620 1HD1 ILE 81 1HD1 ILE 81 5.159 -0.565 0.887 621 2HD1 ILE 81 2HD1 ILE 81 5.519 0.229 2.420 622 3HD1 ILE 81 3HD1 ILE 81 6.502 -1.134 1.880 623 H GLN 82 H GLN 82 11.360 1.055 0.957 624 HA GLN 82 HA GLN 82 11.501 0.266 -1.835 625 1HB GLN 82 2HB GLN 82 13.339 1.342 -0.185 626 2HB GLN 82 1HB GLN 82 13.691 -0.355 0.092 627 1HG GLN 82 2HG GLN 82 13.814 1.131 -2.518 628 2HG GLN 82 1HG GLN 82 15.162 0.482 -1.589 629 1HE2 GLN 82 1HE2 GLN 82 12.623 -0.187 -3.793 630 2HE2 GLN 82 2HE2 GLN 82 13.052 -1.828 -4.131 631 H THR 83 H THR 83 10.325 -1.620 -2.182 632 HA THR 83 HA THR 83 10.646 -3.782 -0.233 633 HB THR 83 HB THR 83 8.769 -4.823 -1.132 634 HG1 THR 83 HG1 THR 83 8.809 -3.263 -3.505 635 1HG2 THR 83 1HG2 THR 83 8.129 -2.678 -0.144 636 2HG2 THR 83 2HG2 THR 83 7.051 -3.113 -1.473 637 3HG2 THR 83 3HG2 THR 83 8.304 -1.896 -1.717 638 HA PRO 84 HA PRO 84 13.536 -6.145 -2.626 639 1HB PRO 84 2HB PRO 84 11.809 -8.529 -2.350 640 2HB PRO 84 1HB PRO 84 13.465 -8.270 -1.795 641 1HG PRO 84 2HG PRO 84 11.426 -8.342 -0.072 642 2HG PRO 84 1HG PRO 84 12.791 -7.232 0.157 643 1HD PRO 84 2HD PRO 84 10.045 -6.670 -0.906 644 2HD PRO 84 1HD PRO 84 11.043 -5.705 0.203 645 H TYR 85 H TYR 85 10.389 -5.633 -3.667 646 HA TYR 85 HA TYR 85 10.957 -6.849 -6.291 647 1HB TYR 85 2HB TYR 85 8.269 -6.210 -5.050 648 2HB TYR 85 1HB TYR 85 8.520 -6.937 -6.636 649 HD1 TYR 85 HD1 TYR 85 8.378 -7.515 -3.060 650 HD2 TYR 85 HD2 TYR 85 9.450 -9.233 -6.799 651 HE1 TYR 85 HE1 TYR 85 8.415 -9.741 -2.017 652 HE2 TYR 85 HE2 TYR 85 9.482 -11.463 -5.769 653 HH TYR 85 HH TYR 85 9.810 -12.431 -3.530 654 H GLY 86 H GLY 86 11.173 -4.057 -4.731 655 1HA GLY 86 2HA GLY 86 11.783 -2.191 -6.303 656 2HA GLY 86 1HA GLY 86 10.192 -2.452 -7.005 657 H SER 87 H SER 87 11.346 -0.069 -5.731 658 HA SER 87 HA SER 87 10.154 0.324 -3.204 659 1HB SER 87 2HB SER 87 10.766 2.442 -5.258 660 2HB SER 87 1HB SER 87 10.709 2.627 -3.510 661 HG SER 87 HG SER 87 12.769 1.874 -5.075 662 H ALA 88 H ALA 88 8.094 0.596 -2.687 663 HA ALA 88 HA ALA 88 6.200 1.255 -4.848 664 1HB ALA 88 1HB ALA 88 5.993 -1.068 -4.115 665 2HB ALA 88 2HB ALA 88 4.554 -0.138 -3.695 666 3HB ALA 88 3HB ALA 88 5.746 -0.527 -2.454 667 H TRP 89 H TRP 89 4.524 2.662 -4.391 668 HA TRP 89 HA TRP 89 4.989 4.468 -2.182 669 1HB TRP 89 2HB TRP 89 2.812 4.478 -4.288 670 2HB TRP 89 1HB TRP 89 3.168 5.789 -3.175 671 HD1 TRP 89 HD1 TRP 89 4.183 4.360 -6.469 672 HE1 TRP 89 HE1 TRP 89 6.019 5.811 -7.499 673 HE3 TRP 89 HE3 TRP 89 5.299 7.268 -2.416 674 HZ2 TRP 89 HZ2 TRP 89 7.740 7.913 -6.715 675 HZ3 TRP 89 HZ3 TRP 89 7.058 8.974 -2.640 676 HH2 TRP 89 HH2 TRP 89 8.252 9.288 -4.745 677 H MET 90 H MET 90 4.156 4.181 -0.229 678 HA MET 90 HA MET 90 1.663 2.642 0.087 679 1HB MET 90 2HB MET 90 3.702 1.921 1.351 680 2HB MET 90 1HB MET 90 3.685 3.477 2.179 681 1HG MET 90 2HG MET 90 1.450 2.936 3.071 682 2HG MET 90 1HG MET 90 1.562 1.347 2.315 683 1HE MET 90 1HE MET 90 1.091 0.177 4.608 684 2HE MET 90 2HE MET 90 0.968 1.739 5.415 685 3HE MET 90 3HE MET 90 2.003 0.479 6.087 686 H TYR 91 H TYR 91 -0.140 3.901 0.245 687 HA TYR 91 HA TYR 91 0.155 6.676 1.019 688 1HB TYR 91 2HB TYR 91 -2.111 5.069 -0.104 689 2HB TYR 91 1HB TYR 91 -2.417 6.644 0.626 690 HD1 TYR 91 HD1 TYR 91 -2.202 8.562 -0.653 691 HD2 TYR 91 HD2 TYR 91 -0.261 5.003 -1.945 692 HE1 TYR 91 HE1 TYR 91 -1.549 9.683 -2.741 693 HE2 TYR 91 HE2 TYR 91 0.395 6.114 -4.035 694 HH TYR 91 HH TYR 91 -0.018 9.532 -4.520 695 H VAL 92 H VAL 92 0.038 7.363 2.974 696 HA VAL 92 HA VAL 92 -1.142 5.632 5.039 697 HB VAL 92 HB VAL 92 1.237 7.465 5.017 698 1HG1 VAL 92 1HG1 VAL 92 1.422 7.267 7.451 699 2HG1 VAL 92 2HG1 VAL 92 -0.157 6.483 7.507 700 3HG1 VAL 92 3HG1 VAL 92 -0.025 8.163 6.989 701 1HG2 VAL 92 1HG2 VAL 92 2.329 5.534 5.967 702 2HG2 VAL 92 2HG2 VAL 92 1.476 5.094 4.486 703 3HG2 VAL 92 3HG2 VAL 92 0.784 4.685 6.062 704 H TYR 93 H TYR 93 -2.550 6.369 6.459 705 HA TYR 93 HA TYR 93 -4.118 8.598 6.289 706 1HB TYR 93 2HB TYR 93 -4.943 7.342 7.979 707 2HB TYR 93 1HB TYR 93 -3.372 6.657 8.344 708 HD1 TYR 93 HD1 TYR 93 -2.380 7.134 10.364 709 HD2 TYR 93 HD2 TYR 93 -5.271 9.857 8.835 710 HE1 TYR 93 HE1 TYR 93 -2.201 8.468 12.419 711 HE2 TYR 93 HE2 TYR 93 -5.098 11.197 10.890 712 HH TYR 93 HH TYR 93 -2.592 10.864 13.084 713 H GLN 94 H GLN 94 -3.653 10.713 6.324 714 HA GLN 94 HA GLN 94 -1.050 11.478 7.418 715 1HB GLN 94 2HB GLN 94 -1.866 11.846 4.943 716 2HB GLN 94 1HB GLN 94 -2.634 13.269 5.636 717 1HG GLN 94 2HG GLN 94 -0.417 13.724 4.675 718 2HG GLN 94 1HG GLN 94 -0.532 14.110 6.386 719 1HE2 GLN 94 1HE2 GLN 94 -0.258 10.813 5.285 720 2HE2 GLN 94 2HE2 GLN 94 1.365 10.561 5.820 721 H ARG 95 H ARG 95 -4.465 12.057 7.764 722 HA ARG 95 HA ARG 95 -4.004 13.435 10.201 723 1HB ARG 95 2HB ARG 95 -5.353 15.507 9.472 724 2HB ARG 95 1HB ARG 95 -3.643 15.408 9.087 725 1HG ARG 95 2HG ARG 95 -4.171 14.763 6.810 726 2HG ARG 95 1HG ARG 95 -5.897 14.799 7.179 727 1HD ARG 95 2HD ARG 95 -5.202 16.843 6.047 728 2HD ARG 95 1HD ARG 95 -5.741 17.184 7.690 729 HE ARG 95 HE ARG 95 -3.373 17.367 8.300 730 1HH1 ARG 95 1HH1 ARG 95 -4.203 17.557 4.896 731 2HH1 ARG 95 2HH1 ARG 95 -2.796 18.496 4.483 732 1HH2 ARG 95 1HH2 ARG 95 -1.542 18.617 7.761 733 2HH2 ARG 95 2HH2 ARG 95 -1.285 19.094 6.107 734 HA PRO 96 HA PRO 96 -8.620 12.788 9.887 735 1HB PRO 96 2HB PRO 96 -9.838 11.953 7.653 736 2HB PRO 96 1HB PRO 96 -9.269 13.613 7.845 737 1HG PRO 96 2HG PRO 96 -8.199 11.455 6.157 738 2HG PRO 96 1HG PRO 96 -7.989 13.206 6.008 739 1HD PRO 96 2HD PRO 96 -6.201 11.259 7.195 740 2HD PRO 96 1HD PRO 96 -5.926 12.990 6.919 741 H VAL 97 H VAL 97 -8.457 11.065 11.365 742 HA VAL 97 HA VAL 97 -9.725 8.666 10.319 743 HB VAL 97 HB VAL 97 -8.385 7.190 11.890 744 1HG1 VAL 97 1HG1 VAL 97 -6.576 6.828 10.280 745 2HG1 VAL 97 2HG1 VAL 97 -6.957 8.368 9.512 746 3HG1 VAL 97 3HG1 VAL 97 -8.132 7.054 9.481 747 1HG2 VAL 97 1HG2 VAL 97 -6.100 7.887 12.429 748 2HG2 VAL 97 2HG2 VAL 97 -7.299 8.924 13.207 749 3HG2 VAL 97 3HG2 VAL 97 -6.439 9.491 11.776 750 H ASP 98 H ASP 98 -11.592 9.433 11.257 751 HA ASP 98 HA ASP 98 -11.895 10.169 13.954 752 1HB ASP 98 2HB ASP 98 -14.278 9.940 13.576 753 2HB ASP 98 1HB ASP 98 -13.522 10.720 12.195 754 H GLY 99 H GLY 99 -10.464 7.600 13.569 755 1HA GLY 99 2HA GLY 99 -10.406 5.951 15.348 756 2HA GLY 99 1HA GLY 99 -12.164 5.927 15.301 757 H LEU 100 H LEU 100 -13.087 5.313 13.138 758 HA LEU 100 HA LEU 100 -13.425 3.764 11.505 759 1HB LEU 100 2HB LEU 100 -10.412 3.645 11.332 760 2HB LEU 100 1HB LEU 100 -11.546 3.087 10.118 761 HG LEU 100 HG LEU 100 -11.102 5.955 10.950 762 1HD1 LEU 100 1HD1 LEU 100 -10.427 4.489 8.406 763 2HD1 LEU 100 2HD1 LEU 100 -9.280 5.069 9.611 764 3HD1 LEU 100 3HD1 LEU 100 -10.236 6.220 8.676 765 1HD2 LEU 100 1HD2 LEU 100 -12.614 6.493 9.084 766 2HD2 LEU 100 2HD2 LEU 100 -13.421 5.602 10.375 767 3HD2 LEU 100 3HD2 LEU 100 -12.956 4.774 8.891 768 H LYS 101 H LYS 101 -12.323 1.423 10.772 769 HA LYS 101 HA LYS 101 -12.074 -0.086 13.283 770 1HB LYS 101 2HB LYS 101 -13.990 -0.792 11.935 771 2HB LYS 101 1HB LYS 101 -12.939 -1.039 10.546 772 1HG LYS 101 2HG LYS 101 -11.799 -2.846 11.678 773 2HG LYS 101 1HG LYS 101 -12.744 -2.563 13.141 774 1HD LYS 101 2HD LYS 101 -13.932 -3.318 10.474 775 2HD LYS 101 1HD LYS 101 -13.534 -4.478 11.744 776 1HE LYS 101 2HE LYS 101 -15.469 -2.177 11.995 777 2HE LYS 101 1HE LYS 101 -15.907 -3.871 11.780 778 1HZ LYS 101 1HZ LYS 101 -14.663 -4.306 13.902 779 2HZ LYS 101 2HZ LYS 101 -16.086 -3.403 14.070 780 3HZ LYS 101 3HZ LYS 101 -14.580 -2.626 14.127 781 H LEU 102 H LEU 102 -10.068 -0.581 13.768 782 HA LEU 102 HA LEU 102 -8.028 -0.581 11.706 783 1HB LEU 102 2HB LEU 102 -7.647 0.624 13.807 784 2HB LEU 102 1HB LEU 102 -7.821 -0.867 14.705 785 HG LEU 102 HG LEU 102 -5.707 -0.821 12.622 786 1HD1 LEU 102 1HD1 LEU 102 -5.441 0.645 15.245 787 2HD1 LEU 102 2HD1 LEU 102 -5.475 1.393 13.648 788 3HD1 LEU 102 3HD1 LEU 102 -4.141 0.329 14.097 789 1HD2 LEU 102 1HD2 LEU 102 -4.504 -2.100 14.321 790 2HD2 LEU 102 2HD2 LEU 102 -6.095 -2.796 14.014 791 3HD2 LEU 102 3HD2 LEU 102 -5.820 -1.830 15.463 792 H ILE 103 H ILE 103 -7.268 -2.332 10.776 793 HA ILE 103 HA ILE 103 -7.852 -4.953 11.970 794 HB ILE 103 HB ILE 103 -7.009 -4.452 9.116 795 1HG1 ILE 103 2HG1 ILE 103 -9.844 -4.762 10.126 796 2HG1 ILE 103 1HG1 ILE 103 -9.138 -3.249 9.571 797 1HG2 ILE 103 1HG2 ILE 103 -8.369 -6.782 10.466 798 2HG2 ILE 103 2HG2 ILE 103 -6.692 -6.715 9.925 799 3HG2 ILE 103 3HG2 ILE 103 -8.000 -6.671 8.744 800 1HD1 ILE 103 1HD1 ILE 103 -9.552 -5.724 7.904 801 2HD1 ILE 103 2HD1 ILE 103 -8.834 -4.214 7.344 802 3HD1 ILE 103 3HD1 ILE 103 -10.524 -4.254 7.851 803 H GLU 104 H GLU 104 -6.039 -5.018 13.348 804 HA GLU 104 HA GLU 104 -3.392 -4.626 12.417 805 1HB GLU 104 2HB GLU 104 -2.833 -6.097 14.487 806 2HB GLU 104 1HB GLU 104 -3.507 -4.495 14.718 807 1HG GLU 104 2HG GLU 104 -4.565 -5.968 16.245 808 2HG GLU 104 1HG GLU 104 -5.742 -5.549 15.006 809 H SER 105 H SER 105 -5.641 -7.065 11.916 810 HA SER 105 HA SER 105 -3.880 -9.237 11.359 811 1HB SER 105 2HB SER 105 -6.708 -8.720 10.405 812 2HB SER 105 1HB SER 105 -5.851 -10.257 10.286 813 HG SER 105 HG SER 105 -6.152 -8.971 12.795 814 H GLY 106 H GLY 106 -4.884 -6.421 9.656 815 1HA GLY 106 2HA GLY 106 -4.227 -5.517 7.668 816 2HA GLY 106 1HA GLY 106 -2.888 -6.652 7.714 817 H ASP 107 H ASP 107 -6.325 -7.490 7.529 818 HA ASP 107 HA ASP 107 -6.032 -8.045 4.682 819 1HB ASP 107 2HB ASP 107 -5.516 -10.161 5.962 820 2HB ASP 107 1HB ASP 107 -7.170 -10.123 6.554 821 H TRP 108 H TRP 108 -8.055 -8.195 3.584 822 HA TRP 108 HA TRP 108 -9.907 -6.317 4.781 823 1HB TRP 108 2HB TRP 108 -10.814 -6.920 2.196 824 2HB TRP 108 1HB TRP 108 -9.896 -5.508 2.682 825 HD1 TRP 108 HD1 TRP 108 -9.725 -8.266 0.286 826 HE1 TRP 108 HE1 TRP 108 -7.319 -8.512 -0.632 827 HE3 TRP 108 HE3 TRP 108 -7.321 -5.390 3.689 828 HZ2 TRP 108 HZ2 TRP 108 -4.713 -7.568 0.051 829 HZ3 TRP 108 HZ3 TRP 108 -4.922 -5.103 3.547 830 HH2 TRP 108 HH2 TRP 108 -3.615 -6.166 1.756 831 H LEU 109 H LEU 109 -9.701 -9.659 4.048 832 HA LEU 109 HA LEU 109 -12.636 -9.917 4.080 833 1HB LEU 109 2HB LEU 109 -10.640 -11.601 2.574 834 2HB LEU 109 1HB LEU 109 -12.386 -11.781 2.530 835 HG LEU 109 HG LEU 109 -10.995 -9.258 1.646 836 1HD1 LEU 109 1HD1 LEU 109 -11.242 -10.031 -0.638 837 2HD1 LEU 109 2HD1 LEU 109 -11.863 -11.580 -0.064 838 3HD1 LEU 109 3HD1 LEU 109 -10.196 -11.114 0.281 839 1HD2 LEU 109 1HD2 LEU 109 -13.350 -9.029 2.214 840 2HD2 LEU 109 2HD2 LEU 109 -13.752 -10.358 1.128 841 3HD2 LEU 109 3HD2 LEU 109 -13.102 -8.854 0.477 842 H ASP 110 H ASP 110 -9.580 -11.150 5.215 843 HA ASP 110 HA ASP 110 -10.755 -13.447 6.509 844 1HB ASP 110 2HB ASP 110 -8.380 -13.390 5.657 845 2HB ASP 110 1HB ASP 110 -8.002 -12.283 6.972 846 H ARG 111 H ARG 111 -12.381 -12.150 7.611 847 HA ARG 111 HA ARG 111 -11.363 -11.132 10.187 848 1HB ARG 111 2HB ARG 111 -14.138 -10.537 9.251 849 2HB ARG 111 1HB ARG 111 -13.099 -9.597 10.307 850 1HG ARG 111 2HG ARG 111 -11.809 -8.825 8.425 851 2HG ARG 111 1HG ARG 111 -12.726 -9.866 7.332 852 1HD ARG 111 2HD ARG 111 -14.790 -8.611 8.243 853 2HD ARG 111 1HD ARG 111 -13.624 -7.418 8.806 854 HE ARG 111 HE ARG 111 -12.940 -7.643 6.234 855 1HH1 ARG 111 1HH1 ARG 111 -16.072 -7.242 7.770 856 2HH1 ARG 111 2HH1 ARG 111 -16.773 -6.441 6.390 857 1HH2 ARG 111 1HH2 ARG 111 -13.871 -6.587 4.434 858 2HH2 ARG 111 2HH2 ARG 111 -15.527 -6.059 4.508 859 H ASP 112 H ASP 112 -14.164 -12.623 8.652 860 HA ASP 112 HA ASP 112 -14.356 -14.626 10.715 861 1HB ASP 112 2HB ASP 112 -15.767 -13.068 11.762 862 2HB ASP 112 1HB ASP 112 -16.443 -12.517 10.234 863 H LYS 113 H LYS 113 -14.081 -16.218 9.374 864 HA LYS 113 HA LYS 113 -16.142 -16.666 7.317 865 1HB LYS 113 2HB LYS 113 -14.487 -18.054 6.148 866 2HB LYS 113 1HB LYS 113 -13.916 -16.403 6.326 867 1HG LYS 113 2HG LYS 113 -12.528 -17.071 8.209 868 2HG LYS 113 1HG LYS 113 -13.117 -18.726 8.064 869 1HD LYS 113 2HD LYS 113 -10.942 -18.564 7.046 870 2HD LYS 113 1HD LYS 113 -12.152 -18.822 5.789 871 1HE LYS 113 2HE LYS 113 -12.049 -16.566 5.093 872 2HE LYS 113 1HE LYS 113 -11.155 -16.085 6.534 873 1HZ LYS 113 1HZ LYS 113 -9.740 -16.252 4.553 874 2HZ LYS 113 2HZ LYS 113 -10.108 -17.903 4.433 875 3HZ LYS 113 3HZ LYS 113 -9.259 -17.321 5.778 Start of MODEL 4 1 1H MET 1 1HT MET 1 5.975 2.927 -13.211 2 2H MET 1 2HT MET 1 4.785 1.745 -12.964 3 3H MET 1 3HT MET 1 6.412 1.386 -12.662 4 HA MET 1 HA MET 1 6.473 2.954 -10.865 5 1HB MET 1 2HB MET 1 4.740 4.461 -11.825 6 2HB MET 1 1HB MET 1 3.515 3.287 -11.359 7 1HG MET 1 2HG MET 1 3.694 5.120 -9.761 8 2HG MET 1 1HG MET 1 4.092 3.566 -9.029 9 1HE MET 1 1HE MET 1 5.446 7.013 -10.297 10 2HE MET 1 2HE MET 1 6.270 5.894 -11.382 11 3HE MET 1 3HE MET 1 7.190 6.794 -10.175 12 H ARG 2 H ARG 2 6.164 2.093 -8.787 13 HA ARG 2 HA ARG 2 4.739 -0.472 -8.734 14 1HB ARG 2 2HB ARG 2 6.996 0.436 -6.944 15 2HB ARG 2 1HB ARG 2 6.336 -1.180 -7.095 16 1HG ARG 2 2HG ARG 2 7.291 -1.506 -9.209 17 2HG ARG 2 1HG ARG 2 7.607 0.219 -9.412 18 1HD ARG 2 2HD ARG 2 9.007 -0.295 -7.155 19 2HD ARG 2 1HD ARG 2 9.150 -1.841 -7.994 20 HE ARG 2 HE ARG 2 10.159 -0.659 -9.848 21 1HH1 ARG 2 1HH1 ARG 2 9.840 1.147 -6.862 22 2HH1 ARG 2 2HH1 ARG 2 11.110 2.264 -7.258 23 1HH2 ARG 2 1HH2 ARG 2 11.820 0.840 -10.374 24 2HH2 ARG 2 2HH2 ARG 2 12.217 2.103 -9.246 25 H ILE 3 H ILE 3 3.102 -0.700 -7.316 26 HA ILE 3 HA ILE 3 2.855 1.298 -5.173 27 HB ILE 3 HB ILE 3 1.355 1.946 -7.021 28 1HG1 ILE 3 2HG1 ILE 3 -0.135 0.908 -4.597 29 2HG1 ILE 3 1HG1 ILE 3 0.739 2.434 -4.675 30 1HG2 ILE 3 1HG2 ILE 3 0.012 -0.708 -6.530 31 2HG2 ILE 3 2HG2 ILE 3 0.961 -0.274 -7.953 32 3HG2 ILE 3 3HG2 ILE 3 -0.558 0.560 -7.618 33 1HD1 ILE 3 1HD1 ILE 3 -1.655 2.761 -4.923 34 2HD1 ILE 3 2HD1 ILE 3 -1.663 1.698 -6.331 35 3HD1 ILE 3 3HD1 ILE 3 -0.792 3.231 -6.388 36 H PHE 4 H PHE 4 1.851 0.601 -3.287 37 HA PHE 4 HA PHE 4 1.723 -2.324 -3.017 38 1HB PHE 4 2HB PHE 4 3.341 -1.104 -1.576 39 2HB PHE 4 1HB PHE 4 2.008 -0.197 -0.878 40 HD1 PHE 4 HD1 PHE 4 3.467 -3.572 -1.213 41 HD2 PHE 4 HD2 PHE 4 0.722 -1.085 0.885 42 HE1 PHE 4 HE1 PHE 4 3.187 -5.324 0.495 43 HE2 PHE 4 HE2 PHE 4 0.438 -2.827 2.593 44 HZ PHE 4 HZ PHE 4 1.672 -4.951 2.399 45 H VAL 5 H VAL 5 -0.195 -3.240 -2.803 46 HA VAL 5 HA VAL 5 -2.541 -1.593 -2.300 47 HB VAL 5 HB VAL 5 -2.310 -4.530 -3.009 48 1HG1 VAL 5 1HG1 VAL 5 -4.368 -4.010 -1.769 49 2HG1 VAL 5 2HG1 VAL 5 -4.681 -4.479 -3.440 50 3HG1 VAL 5 3HG1 VAL 5 -4.760 -2.778 -2.971 51 1HG2 VAL 5 1HG2 VAL 5 -3.097 -3.827 -5.213 52 2HG2 VAL 5 2HG2 VAL 5 -1.552 -3.088 -4.795 53 3HG2 VAL 5 3HG2 VAL 5 -3.036 -2.142 -4.692 54 H TYR 6 H TYR 6 -3.664 -1.613 -0.441 55 HA TYR 6 HA TYR 6 -2.586 -3.289 1.719 56 1HB TYR 6 2HB TYR 6 -3.204 -1.269 3.197 57 2HB TYR 6 1HB TYR 6 -1.764 -1.147 2.197 58 HD1 TYR 6 HD1 TYR 6 -5.194 0.042 2.694 59 HD2 TYR 6 HD2 TYR 6 -1.695 0.372 0.298 60 HE1 TYR 6 HE1 TYR 6 -6.080 2.103 1.693 61 HE2 TYR 6 HE2 TYR 6 -2.573 2.436 -0.712 62 HH TYR 6 HH TYR 6 -5.325 4.066 0.545 63 H GLY 7 H GLY 7 -4.793 -4.139 0.248 64 1HA GLY 7 2HA GLY 7 -6.516 -5.074 2.053 65 2HA GLY 7 1HA GLY 7 -7.137 -3.446 1.830 66 H SER 8 H SER 8 -7.336 -6.574 0.837 67 HA SER 8 HA SER 8 -8.289 -7.707 -0.859 68 1HB SER 8 2HB SER 8 -10.394 -6.735 -1.767 69 2HB SER 8 1HB SER 8 -10.299 -6.712 -0.009 70 HG SER 8 HG SER 8 -9.277 -4.433 -1.011 71 H LEU 9 H LEU 9 -6.933 -8.087 -2.452 72 HA LEU 9 HA LEU 9 -5.930 -6.203 -4.283 73 1HB LEU 9 2HB LEU 9 -4.967 -8.021 -5.446 74 2HB LEU 9 1HB LEU 9 -4.887 -8.387 -3.739 75 HG LEU 9 HG LEU 9 -6.959 -9.546 -5.604 76 1HD1 LEU 9 1HD1 LEU 9 -4.727 -10.225 -6.289 77 2HD1 LEU 9 2HD1 LEU 9 -5.591 -11.578 -5.558 78 3HD1 LEU 9 3HD1 LEU 9 -4.355 -10.718 -4.638 79 1HD2 LEU 9 1HD2 LEU 9 -7.640 -9.573 -3.270 80 2HD2 LEU 9 2HD2 LEU 9 -6.102 -10.300 -2.810 81 3HD2 LEU 9 3HD2 LEU 9 -7.242 -11.204 -3.806 82 H ARG 10 H ARG 10 -8.987 -6.637 -4.073 83 HA ARG 10 HA ARG 10 -9.990 -7.438 -6.559 84 1HB ARG 10 2HB ARG 10 -11.027 -5.348 -4.631 85 2HB ARG 10 1HB ARG 10 -11.947 -6.009 -5.977 86 1HG ARG 10 2HG ARG 10 -11.946 -8.184 -4.998 87 2HG ARG 10 1HG ARG 10 -10.827 -7.668 -3.735 88 1HD ARG 10 2HD ARG 10 -13.131 -7.809 -2.910 89 2HD ARG 10 1HD ARG 10 -12.508 -6.165 -2.829 90 HE ARG 10 HE ARG 10 -13.811 -5.816 -4.966 91 1HH1 ARG 10 1HH1 ARG 10 -14.744 -8.222 -2.603 92 2HH1 ARG 10 2HH1 ARG 10 -16.435 -8.141 -2.984 93 1HH2 ARG 10 1HH2 ARG 10 -16.039 -5.662 -5.451 94 2HH2 ARG 10 2HH2 ARG 10 -17.179 -6.668 -4.596 95 H HIS 11 H HIS 11 -8.559 -4.476 -5.446 96 HA HIS 11 HA HIS 11 -7.873 -2.572 -6.422 97 1HB HIS 11 2HB HIS 11 -6.408 -2.843 -8.324 98 2HB HIS 11 1HB HIS 11 -6.202 -4.190 -7.219 99 HD1 HIS 11 HD1 HIS 11 -6.937 -6.545 -8.077 100 HD2 HIS 11 HD2 HIS 11 -7.346 -3.492 -10.868 101 HE1 HIS 11 HE1 HIS 11 -7.272 -7.688 -10.288 102 HE2 HIS 11 HE2 HIS 11 -7.805 -5.818 -11.888 103 H LYS 12 H LYS 12 -9.331 -1.075 -6.833 104 HA LYS 12 HA LYS 12 -11.242 -1.259 -8.938 105 1HB LYS 12 2HB LYS 12 -11.726 0.128 -7.016 106 2HB LYS 12 1HB LYS 12 -10.291 1.102 -7.298 107 1HG LYS 12 2HG LYS 12 -12.347 2.245 -7.984 108 2HG LYS 12 1HG LYS 12 -11.243 1.982 -9.336 109 1HD LYS 12 2HD LYS 12 -13.507 1.486 -10.027 110 2HD LYS 12 1HD LYS 12 -12.561 0.000 -9.989 111 1HE LYS 12 2HE LYS 12 -13.513 -0.495 -7.755 112 2HE LYS 12 1HE LYS 12 -14.532 0.938 -7.903 113 1HZ LYS 12 1HZ LYS 12 -15.750 -1.030 -8.541 114 2HZ LYS 12 2HZ LYS 12 -14.572 -1.436 -9.689 115 3HZ LYS 12 3HZ LYS 12 -15.517 -0.043 -9.901 116 H GLN 13 H GLN 13 -10.880 -0.994 -11.042 117 HA GLN 13 HA GLN 13 -8.364 -0.125 -12.037 118 1HB GLN 13 2HB GLN 13 -10.981 -0.682 -13.431 119 2HB GLN 13 1HB GLN 13 -9.531 -0.186 -14.284 120 1HG GLN 13 2HG GLN 13 -9.550 -2.482 -14.518 121 2HG GLN 13 1HG GLN 13 -8.410 -2.206 -13.207 122 1HE2 GLN 13 1HE2 GLN 13 -11.903 -2.025 -12.844 123 2HE2 GLN 13 2HE2 GLN 13 -12.048 -3.440 -11.862 124 H GLY 14 H GLY 14 -7.804 1.948 -11.732 125 1HA GLY 14 2HA GLY 14 -9.639 4.123 -12.159 126 2HA GLY 14 1HA GLY 14 -7.899 4.254 -11.915 127 H ASN 15 H ASN 15 -10.364 3.403 -14.286 128 HA ASN 15 HA ASN 15 -10.521 3.696 -16.513 129 1HB ASN 15 2HB ASN 15 -8.850 5.782 -15.776 130 2HB ASN 15 1HB ASN 15 -7.926 4.944 -17.019 131 1HD2 ASN 15 1HD2 ASN 15 -10.938 6.543 -16.286 132 2HD2 ASN 15 2HD2 ASN 15 -11.362 6.903 -17.926 133 H SER 16 H SER 16 -9.191 3.040 -18.594 134 HA SER 16 HA SER 16 -8.207 0.444 -18.033 135 1HB SER 16 2HB SER 16 -7.932 2.010 -20.616 136 2HB SER 16 1HB SER 16 -7.786 0.261 -20.431 137 HG SER 16 HG SER 16 -10.074 1.901 -20.301 138 H HIS 17 H HIS 17 -6.826 3.515 -18.079 139 HA HIS 17 HA HIS 17 -4.155 3.156 -18.669 140 1HB HIS 17 2HB HIS 17 -5.450 5.269 -18.012 141 2HB HIS 17 1HB HIS 17 -5.174 4.789 -16.343 142 HD1 HIS 17 HD1 HIS 17 -3.896 7.085 -16.148 143 HD2 HIS 17 HD2 HIS 17 -2.124 4.245 -18.622 144 HE1 HIS 17 HE1 HIS 17 -1.537 7.883 -16.528 145 HE2 HIS 17 HE2 HIS 17 -0.415 5.993 -17.764 146 H TRP 18 H TRP 18 -5.992 1.927 -16.017 147 HA TRP 18 HA TRP 18 -3.666 1.312 -14.401 148 1HB TRP 18 2HB TRP 18 -5.813 2.003 -13.355 149 2HB TRP 18 1HB TRP 18 -6.569 0.550 -13.996 150 HD1 TRP 18 HD1 TRP 18 -5.950 -1.784 -12.811 151 HE1 TRP 18 HE1 TRP 18 -4.926 -2.314 -10.509 152 HE3 TRP 18 HE3 TRP 18 -4.156 2.856 -11.625 153 HZ2 TRP 18 HZ2 TRP 18 -3.541 -0.953 -8.465 154 HZ3 TRP 18 HZ3 TRP 18 -2.994 3.157 -9.475 155 HH2 TRP 18 HH2 TRP 18 -2.694 1.291 -7.928 156 H MET 19 H MET 19 -6.331 -0.635 -15.789 157 HA MET 19 HA MET 19 -5.016 -3.057 -15.056 158 1HB MET 19 2HB MET 19 -6.917 -4.191 -16.062 159 2HB MET 19 1HB MET 19 -7.450 -2.862 -15.044 160 1HG MET 19 2HG MET 19 -7.783 -1.478 -17.035 161 2HG MET 19 1HG MET 19 -7.267 -2.826 -18.046 162 1HE MET 19 1HE MET 19 -9.485 -2.682 -19.479 163 2HE MET 19 2HE MET 19 -10.010 -1.307 -18.509 164 3HE MET 19 3HE MET 19 -11.103 -2.662 -18.779 165 H THR 20 H THR 20 -4.848 -1.131 -17.884 166 HA THR 20 HA THR 20 -4.184 -3.335 -19.648 167 HB THR 20 HB THR 20 -4.015 -0.372 -20.173 168 HG1 THR 20 HG1 THR 20 -6.143 -0.910 -21.232 169 1HG2 THR 20 1HG2 THR 20 -2.835 -1.887 -21.746 170 2HG2 THR 20 2HG2 THR 20 -4.153 -0.985 -22.499 171 3HG2 THR 20 3HG2 THR 20 -4.372 -2.686 -22.075 172 H ASN 21 H ASN 21 -2.463 -3.408 -17.615 173 HA ASN 21 HA ASN 21 0.066 -3.572 -18.496 174 1HB ASN 21 2HB ASN 21 1.272 -1.549 -17.781 175 2HB ASN 21 1HB ASN 21 0.113 -1.166 -19.048 176 1HD2 ASN 21 1HD2 ASN 21 -1.562 0.187 -18.626 177 2HD2 ASN 21 2HD2 ASN 21 -1.744 1.050 -17.137 178 H ALA 22 H ALA 22 -2.161 -2.828 -16.046 179 HA ALA 22 HA ALA 22 -0.770 -2.998 -13.683 180 1HB ALA 22 1HB ALA 22 -3.413 -4.345 -14.235 181 2HB ALA 22 2HB ALA 22 -3.198 -2.636 -13.847 182 3HB ALA 22 3HB ALA 22 -2.782 -3.870 -12.659 183 H GLN 23 H GLN 23 0.851 -4.345 -13.285 184 HA GLN 23 HA GLN 23 0.496 -7.208 -13.881 185 1HB GLN 23 2HB GLN 23 2.357 -6.152 -15.086 186 2HB GLN 23 1HB GLN 23 3.036 -5.594 -13.565 187 1HG GLN 23 2HG GLN 23 3.296 -7.966 -12.877 188 2HG GLN 23 1HG GLN 23 2.760 -8.443 -14.486 189 1HE2 GLN 23 1HE2 GLN 23 4.121 -8.120 -16.242 190 2HE2 GLN 23 2HE2 GLN 23 5.798 -7.755 -16.055 191 H LEU 24 H LEU 24 0.031 -8.369 -12.129 192 HA LEU 24 HA LEU 24 0.535 -7.481 -9.474 193 1HB LEU 24 2HB LEU 24 -1.337 -8.929 -9.911 194 2HB LEU 24 1HB LEU 24 -0.293 -10.156 -10.597 195 HG LEU 24 HG LEU 24 0.694 -10.563 -8.379 196 1HD1 LEU 24 1HD1 LEU 24 -1.338 -8.566 -7.392 197 2HD1 LEU 24 2HD1 LEU 24 0.409 -8.337 -7.426 198 3HD1 LEU 24 3HD1 LEU 24 -0.298 -9.571 -6.383 199 1HD2 LEU 24 1HD2 LEU 24 -2.318 -10.691 -8.407 200 2HD2 LEU 24 2HD2 LEU 24 -1.246 -11.637 -7.376 201 3HD2 LEU 24 3HD2 LEU 24 -1.224 -11.874 -9.124 202 H LEU 25 H LEU 25 2.561 -7.257 -8.811 203 HA LEU 25 HA LEU 25 4.731 -8.875 -9.701 204 1HB LEU 25 2HB LEU 25 4.428 -6.895 -7.451 205 2HB LEU 25 1HB LEU 25 5.942 -7.690 -7.821 206 HG LEU 25 HG LEU 25 4.418 -5.860 -9.677 207 1HD1 LEU 25 1HD1 LEU 25 6.968 -5.424 -8.127 208 2HD1 LEU 25 2HD1 LEU 25 5.409 -4.661 -7.809 209 3HD1 LEU 25 3HD1 LEU 25 6.275 -4.309 -9.306 210 1HD2 LEU 25 1HD2 LEU 25 7.105 -7.201 -10.000 211 2HD2 LEU 25 2HD2 LEU 25 6.429 -5.986 -11.085 212 3HD2 LEU 25 3HD2 LEU 25 5.641 -7.555 -10.919 213 H GLY 26 H GLY 26 2.718 -8.762 -6.820 214 1HA GLY 26 2HA GLY 26 2.320 -11.277 -6.199 215 2HA GLY 26 1HA GLY 26 4.019 -11.156 -5.758 216 H ASP 27 H ASP 27 1.861 -11.742 -3.958 217 HA ASP 27 HA ASP 27 1.411 -9.345 -2.441 218 1HB ASP 27 2HB ASP 27 0.510 -10.934 -0.688 219 2HB ASP 27 1HB ASP 27 -0.321 -10.914 -2.229 220 H PHE 28 H PHE 28 2.226 -8.802 -0.521 221 HA PHE 28 HA PHE 28 4.573 -10.162 0.508 222 1HB PHE 28 2HB PHE 28 5.722 -9.012 -1.178 223 2HB PHE 28 1HB PHE 28 4.700 -7.589 -1.038 224 HD1 PHE 28 HD1 PHE 28 6.975 -9.545 1.217 225 HD2 PHE 28 HD2 PHE 28 5.737 -5.746 -0.250 226 HE1 PHE 28 HE1 PHE 28 8.666 -8.451 2.631 227 HE2 PHE 28 HE2 PHE 28 7.422 -4.647 1.163 228 HZ PHE 28 HZ PHE 28 8.882 -5.995 2.610 229 H SER 29 H SER 29 4.320 -10.109 2.612 230 HA SER 29 HA SER 29 2.643 -8.075 3.826 231 1HB SER 29 2HB SER 29 3.997 -10.456 5.109 232 2HB SER 29 1HB SER 29 2.704 -9.477 5.804 233 HG SER 29 HG SER 29 2.341 -10.743 3.318 234 H ILE 30 H ILE 30 3.295 -6.497 5.196 235 HA ILE 30 HA ILE 30 6.178 -6.349 5.796 236 HB ILE 30 HB ILE 30 5.799 -3.831 5.917 237 1HG1 ILE 30 2HG1 ILE 30 3.339 -4.638 4.353 238 2HG1 ILE 30 1HG1 ILE 30 3.380 -3.783 5.894 239 1HG2 ILE 30 1HG2 ILE 30 6.149 -3.564 3.507 240 2HG2 ILE 30 2HG2 ILE 30 5.643 -5.235 3.260 241 3HG2 ILE 30 3HG2 ILE 30 7.106 -4.881 4.180 242 1HD1 ILE 30 1HD1 ILE 30 4.505 -2.713 3.322 243 2HD1 ILE 30 2HD1 ILE 30 4.342 -1.851 4.854 244 3HD1 ILE 30 3HD1 ILE 30 2.903 -2.331 3.955 245 H ASP 31 H ASP 31 6.772 -5.445 7.808 246 HA ASP 31 HA ASP 31 4.705 -5.970 9.822 247 1HB ASP 31 2HB ASP 31 6.747 -7.384 9.850 248 2HB ASP 31 1HB ASP 31 7.711 -5.941 10.140 249 H ASN 32 H ASN 32 4.523 -4.670 11.650 250 HA ASN 32 HA ASN 32 4.492 -2.793 12.916 251 1HB ASN 32 2HB ASN 32 6.721 -1.842 11.122 252 2HB ASN 32 1HB ASN 32 6.098 -0.918 12.483 253 1HD2 ASN 32 1HD2 ASN 32 8.004 -3.598 11.476 254 2HD2 ASN 32 2HD2 ASN 32 8.650 -4.002 13.025 255 H TYR 33 H TYR 33 2.759 -3.220 10.664 256 HA TYR 33 HA TYR 33 1.889 -0.425 10.416 257 1HB TYR 33 2HB TYR 33 1.862 -2.392 8.115 258 2HB TYR 33 1HB TYR 33 1.128 -0.800 8.099 259 HD1 TYR 33 HD1 TYR 33 4.278 -2.656 7.934 260 HD2 TYR 33 HD2 TYR 33 2.492 1.202 7.944 261 HE1 TYR 33 HE1 TYR 33 6.378 -1.688 7.095 262 HE2 TYR 33 HE2 TYR 33 4.584 2.181 7.112 263 HH TYR 33 HH TYR 33 6.816 1.784 6.802 264 H GLN 34 H GLN 34 -0.246 -0.119 10.712 265 HA GLN 34 HA GLN 34 -1.915 -2.522 11.102 266 1HB GLN 34 2HB GLN 34 -2.110 0.211 12.389 267 2HB GLN 34 1HB GLN 34 -3.306 -1.064 12.591 268 1HG GLN 34 2HG GLN 34 -1.793 -2.434 13.763 269 2HG GLN 34 1HG GLN 34 -0.414 -1.439 13.301 270 1HE2 GLN 34 1HE2 GLN 34 -3.451 -0.080 14.317 271 2HE2 GLN 34 2HE2 GLN 34 -2.888 0.565 15.821 272 H LEU 35 H LEU 35 -4.180 -2.331 10.443 273 HA LEU 35 HA LEU 35 -4.445 -0.468 8.174 274 1HB LEU 35 2HB LEU 35 -4.091 -2.817 7.504 275 2HB LEU 35 1HB LEU 35 -5.526 -3.276 8.402 276 HG LEU 35 HG LEU 35 -6.876 -1.821 6.895 277 1HD1 LEU 35 1HD1 LEU 35 -5.854 -1.069 4.800 278 2HD1 LEU 35 2HD1 LEU 35 -4.278 -1.591 5.391 279 3HD1 LEU 35 3HD1 LEU 35 -5.136 -0.283 6.206 280 1HD2 LEU 35 1HD2 LEU 35 -6.799 -3.330 4.978 281 2HD2 LEU 35 2HD2 LEU 35 -6.689 -4.230 6.491 282 3HD2 LEU 35 3HD2 LEU 35 -5.241 -3.951 5.519 283 H TYR 36 H TYR 36 -6.277 0.681 7.969 284 HA TYR 36 HA TYR 36 -8.433 0.230 9.928 285 1HB TYR 36 2HB TYR 36 -7.914 2.683 8.228 286 2HB TYR 36 1HB TYR 36 -9.120 2.530 9.497 287 HD1 TYR 36 HD1 TYR 36 -8.494 2.685 11.828 288 HD2 TYR 36 HD2 TYR 36 -5.570 2.951 8.756 289 HE1 TYR 36 HE1 TYR 36 -6.878 3.578 13.451 290 HE2 TYR 36 HE2 TYR 36 -3.942 3.839 10.360 291 HH TYR 36 HH TYR 36 -4.463 3.763 13.733 292 H SER 37 H SER 37 -10.558 0.054 9.220 293 HA SER 37 HA SER 37 -10.954 -0.106 6.302 294 1HB SER 37 2HB SER 37 -12.539 -1.515 8.466 295 2HB SER 37 1HB SER 37 -12.741 -1.706 6.726 296 HG SER 37 HG SER 37 -10.177 -2.145 7.612 297 H LEU 38 H LEU 38 -11.957 1.682 5.597 298 HA LEU 38 HA LEU 38 -13.928 2.924 7.386 299 1HB LEU 38 2HB LEU 38 -13.517 5.018 6.027 300 2HB LEU 38 1HB LEU 38 -12.242 4.509 7.110 301 HG LEU 38 HG LEU 38 -12.089 3.723 4.227 302 1HD1 LEU 38 1HD1 LEU 38 -12.626 6.125 4.235 303 2HD1 LEU 38 2HD1 LEU 38 -10.969 5.821 3.712 304 3HD1 LEU 38 3HD1 LEU 38 -11.286 6.411 5.344 305 1HD2 LEU 38 1HD2 LEU 38 -9.681 3.953 4.690 306 2HD2 LEU 38 2HD2 LEU 38 -10.456 2.821 5.798 307 3HD2 LEU 38 3HD2 LEU 38 -10.055 4.450 6.341 308 H GLY 39 H GLY 39 -14.123 0.812 5.115 309 1HA GLY 39 2HA GLY 39 -16.305 0.242 4.332 310 2HA GLY 39 1HA GLY 39 -16.673 1.955 4.212 311 H HIS 40 H HIS 40 -15.566 3.178 2.499 312 HA HIS 40 HA HIS 40 -15.955 1.948 0.003 313 1HB HIS 40 2HB HIS 40 -16.012 4.443 0.587 314 2HB HIS 40 1HB HIS 40 -14.260 4.407 0.439 315 HD1 HIS 40 HD1 HIS 40 -13.635 3.084 -2.089 316 HD2 HIS 40 HD2 HIS 40 -17.074 5.377 -1.692 317 HE1 HIS 40 HE1 HIS 40 -14.264 3.767 -4.427 318 HE2 HIS 40 HE2 HIS 40 -16.354 5.152 -4.170 319 H TYR 41 H TYR 41 -13.125 2.369 1.972 320 HA TYR 41 HA TYR 41 -11.645 0.393 0.572 321 1HB TYR 41 2HB TYR 41 -9.705 2.024 0.058 322 2HB TYR 41 1HB TYR 41 -11.066 1.989 -1.055 323 HD1 TYR 41 HD1 TYR 41 -9.700 3.881 1.859 324 HD2 TYR 41 HD2 TYR 41 -12.191 3.956 -1.594 325 HE1 TYR 41 HE1 TYR 41 -9.953 6.311 2.094 326 HE2 TYR 41 HE2 TYR 41 -12.454 6.387 -1.358 327 HH TYR 41 HH TYR 41 -10.481 8.262 0.530 328 HA PRO 42 HA PRO 42 -9.531 0.616 4.488 329 1HB PRO 42 2HB PRO 42 -7.148 -0.636 3.649 330 2HB PRO 42 1HB PRO 42 -8.595 -1.431 4.266 331 1HG PRO 42 2HG PRO 42 -7.578 -1.617 1.659 332 2HG PRO 42 1HG PRO 42 -9.184 -2.133 2.195 333 1HD PRO 42 2HD PRO 42 -8.359 0.364 0.795 334 2HD PRO 42 1HD PRO 42 -9.874 -0.557 0.672 335 H GLY 43 H GLY 43 -7.263 1.047 5.450 336 1HA GLY 43 2HA GLY 43 -5.494 2.774 3.968 337 2HA GLY 43 1HA GLY 43 -6.427 3.621 5.199 338 H ALA 44 H ALA 44 -3.457 2.570 4.818 339 HA ALA 44 HA ALA 44 -3.321 1.141 7.393 340 1HB ALA 44 1HB ALA 44 -1.421 1.030 5.057 341 2HB ALA 44 2HB ALA 44 -2.589 -0.210 5.515 342 3HB ALA 44 3HB ALA 44 -1.228 0.154 6.575 343 H VAL 45 H VAL 45 -1.390 1.492 8.695 344 HA VAL 45 HA VAL 45 0.080 3.977 8.271 345 HB VAL 45 HB VAL 45 -0.333 4.802 10.543 346 1HG1 VAL 45 1HG1 VAL 45 -1.663 5.763 8.787 347 2HG1 VAL 45 2HG1 VAL 45 -2.641 5.616 10.247 348 3HG1 VAL 45 3HG1 VAL 45 -2.847 4.466 8.923 349 1HG2 VAL 45 1HG2 VAL 45 -2.201 3.884 11.879 350 2HG2 VAL 45 2HG2 VAL 45 -0.870 2.747 11.667 351 3HG2 VAL 45 3HG2 VAL 45 -2.343 2.564 10.717 352 HA PRO 46 HA PRO 46 3.267 1.651 10.404 353 1HB PRO 46 2HB PRO 46 4.115 4.097 11.795 354 2HB PRO 46 1HB PRO 46 4.997 3.123 10.616 355 1HG PRO 46 2HG PRO 46 4.048 5.574 10.023 356 2HG PRO 46 1HG PRO 46 4.124 4.274 8.818 357 1HD PRO 46 2HD PRO 46 1.773 5.276 10.384 358 2HD PRO 46 1HD PRO 46 1.870 4.799 8.675 359 H GLY 47 H GLY 47 3.318 0.513 12.274 360 1HA GLY 47 2HA GLY 47 2.724 1.495 14.833 361 2HA GLY 47 1HA GLY 47 1.250 0.805 14.167 362 H ASN 48 H ASN 48 0.930 -1.155 14.957 363 HA ASN 48 HA ASN 48 3.203 -3.014 15.078 364 1HB ASN 48 2HB ASN 48 1.391 -2.175 17.251 365 2HB ASN 48 1HB ASN 48 1.639 -3.911 17.117 366 1HD2 ASN 48 1HD2 ASN 48 4.129 -1.689 16.146 367 2HD2 ASN 48 2HD2 ASN 48 5.196 -2.011 17.474 368 H GLY 49 H GLY 49 2.439 -3.781 13.065 369 1HA GLY 49 2HA GLY 49 0.664 -6.003 13.328 370 2HA GLY 49 1HA GLY 49 -0.081 -4.697 12.412 371 H THR 50 H THR 50 0.227 -6.983 11.070 372 HA THR 50 HA THR 50 2.535 -6.415 9.334 373 HB THR 50 HB THR 50 1.451 -9.162 9.983 374 HG1 THR 50 HG1 THR 50 3.273 -7.573 11.226 375 1HG2 THR 50 1HG2 THR 50 3.413 -9.973 8.747 376 2HG2 THR 50 2HG2 THR 50 3.850 -8.313 8.347 377 3HG2 THR 50 3HG2 THR 50 2.360 -9.009 7.713 378 H VAL 51 H VAL 51 1.711 -5.578 7.526 379 HA VAL 51 HA VAL 51 -1.011 -6.202 6.740 380 HB VAL 51 HB VAL 51 0.981 -4.303 5.482 381 1HG1 VAL 51 1HG1 VAL 51 -1.973 -4.670 4.963 382 2HG1 VAL 51 2HG1 VAL 51 -0.662 -5.049 3.846 383 3HG1 VAL 51 3HG1 VAL 51 -0.976 -3.374 4.301 384 1HG2 VAL 51 1HG2 VAL 51 0.351 -3.600 7.716 385 2HG2 VAL 51 2HG2 VAL 51 -1.356 -3.800 7.321 386 3HG2 VAL 51 3HG2 VAL 51 -0.406 -2.551 6.517 387 H HIS 52 H HIS 52 -1.409 -7.902 5.540 388 HA HIS 52 HA HIS 52 0.633 -9.149 3.916 389 1HB HIS 52 2HB HIS 52 -2.289 -9.820 4.351 390 2HB HIS 52 1HB HIS 52 -1.165 -10.808 3.436 391 HD1 HIS 52 HD1 HIS 52 0.171 -12.498 4.718 392 HD2 HIS 52 HD2 HIS 52 -1.654 -9.692 7.192 393 HE1 HIS 52 HE1 HIS 52 0.518 -13.331 7.065 394 HE2 HIS 52 HE2 HIS 52 -0.392 -11.505 8.543 395 H GLY 53 H GLY 53 0.620 -6.920 2.718 396 1HA GLY 53 2HA GLY 53 -1.674 -6.450 1.024 397 2HA GLY 53 1HA GLY 53 -0.234 -5.454 1.139 398 H GLU 54 H GLU 54 -1.378 -5.912 -1.262 399 HA GLU 54 HA GLU 54 0.300 -7.951 -2.550 400 1HB GLU 54 2HB GLU 54 -2.159 -6.559 -3.630 401 2HB GLU 54 1HB GLU 54 -1.293 -7.884 -4.394 402 1HG GLU 54 2HG GLU 54 -2.985 -9.070 -3.463 403 2HG GLU 54 1HG GLU 54 -1.870 -9.090 -2.101 404 H VAL 55 H VAL 55 1.995 -7.270 -3.724 405 HA VAL 55 HA VAL 55 2.275 -4.423 -4.254 406 HB VAL 55 HB VAL 55 4.238 -6.638 -4.874 407 1HG1 VAL 55 1HG1 VAL 55 5.894 -4.825 -4.896 408 2HG1 VAL 55 2HG1 VAL 55 4.603 -3.652 -4.639 409 3HG1 VAL 55 3HG1 VAL 55 4.654 -4.594 -6.129 410 1HG2 VAL 55 1HG2 VAL 55 4.056 -4.865 -2.437 411 2HG2 VAL 55 2HG2 VAL 55 5.377 -5.977 -2.797 412 3HG2 VAL 55 3HG2 VAL 55 3.757 -6.605 -2.489 413 H TYR 56 H TYR 56 1.965 -3.469 -6.160 414 HA TYR 56 HA TYR 56 1.580 -5.189 -8.525 415 1HB TYR 56 2HB TYR 56 -0.132 -3.037 -7.397 416 2HB TYR 56 1HB TYR 56 0.014 -3.095 -9.147 417 HD1 TYR 56 HD1 TYR 56 -1.118 -4.972 -6.169 418 HD2 TYR 56 HD2 TYR 56 -1.084 -4.761 -10.417 419 HE1 TYR 56 HE1 TYR 56 -2.884 -6.681 -6.265 420 HE2 TYR 56 HE2 TYR 56 -2.844 -6.467 -10.526 421 HH TYR 56 HH TYR 56 -3.762 -8.257 -9.164 422 H ARG 57 H ARG 57 2.202 -4.389 -10.518 423 HA ARG 57 HA ARG 57 3.763 -1.891 -10.485 424 1HB ARG 57 2HB ARG 57 5.135 -3.842 -11.051 425 2HB ARG 57 1HB ARG 57 4.010 -4.285 -12.328 426 1HG ARG 57 2HG ARG 57 4.526 -2.047 -13.380 427 2HG ARG 57 1HG ARG 57 5.849 -1.912 -12.221 428 1HD ARG 57 2HD ARG 57 5.491 -4.196 -14.151 429 2HD ARG 57 1HD ARG 57 6.526 -2.804 -14.445 430 HE ARG 57 HE ARG 57 7.071 -4.285 -12.012 431 1HH1 ARG 57 1HH1 ARG 57 7.816 -3.769 -15.381 432 2HH1 ARG 57 2HH1 ARG 57 9.381 -4.523 -15.302 433 1HH2 ARG 57 1HH2 ARG 57 9.154 -5.281 -11.868 434 2HH2 ARG 57 2HH2 ARG 57 10.122 -5.412 -13.307 435 H ILE 58 H ILE 58 2.770 -0.257 -11.436 436 HA ILE 58 HA ILE 58 1.144 -0.759 -13.826 437 HB ILE 58 HB ILE 58 -0.299 1.238 -12.988 438 1HG1 ILE 58 2HG1 ILE 58 -0.627 1.009 -10.443 439 2HG1 ILE 58 1HG1 ILE 58 0.963 0.264 -10.433 440 1HG2 ILE 58 1HG2 ILE 58 -1.162 -0.983 -13.379 441 2HG2 ILE 58 2HG2 ILE 58 -1.857 -0.311 -11.904 442 3HG2 ILE 58 3HG2 ILE 58 -0.573 -1.517 -11.804 443 1HD1 ILE 58 1HD1 ILE 58 1.919 2.297 -11.387 444 2HD1 ILE 58 2HD1 ILE 58 1.109 2.597 -9.850 445 3HD1 ILE 58 3HD1 ILE 58 0.323 3.048 -11.364 446 H ASP 59 H ASP 59 0.833 1.274 -15.123 447 HA ASP 59 HA ASP 59 3.231 2.479 -15.789 448 1HB ASP 59 2HB ASP 59 1.406 2.584 -17.340 449 2HB ASP 59 1HB ASP 59 0.406 3.473 -16.196 450 H ASN 60 H ASN 60 4.221 4.433 -15.357 451 HA ASN 60 HA ASN 60 4.227 5.258 -12.682 452 1HB ASN 60 2HB ASN 60 5.311 6.591 -15.171 453 2HB ASN 60 1HB ASN 60 5.571 7.231 -13.553 454 1HD2 ASN 60 1HD2 ASN 60 7.756 6.971 -13.566 455 2HD2 ASN 60 2HD2 ASN 60 8.528 5.415 -13.548 456 H ALA 61 H ALA 61 2.753 6.729 -15.553 457 HA ALA 61 HA ALA 61 1.857 9.072 -14.229 458 1HB ALA 61 1HB ALA 61 0.548 9.491 -16.245 459 2HB ALA 61 2HB ALA 61 0.867 7.849 -16.803 460 3HB ALA 61 3HB ALA 61 2.193 9.002 -16.647 461 H THR 62 H THR 62 0.458 5.896 -14.765 462 HA THR 62 HA THR 62 -2.187 6.395 -14.075 463 HB THR 62 HB THR 62 -0.642 3.924 -13.273 464 HG1 THR 62 HG1 THR 62 -1.703 3.307 -15.467 465 1HG2 THR 62 1HG2 THR 62 -3.551 4.369 -13.958 466 2HG2 THR 62 2HG2 THR 62 -2.898 4.067 -12.348 467 3HG2 THR 62 3HG2 THR 62 -2.813 2.811 -13.584 468 H LEU 63 H LEU 63 0.637 5.946 -12.019 469 HA LEU 63 HA LEU 63 -0.750 5.845 -9.543 470 1HB LEU 63 2HB LEU 63 1.554 5.071 -9.693 471 2HB LEU 63 1HB LEU 63 2.087 6.681 -10.148 472 HG LEU 63 HG LEU 63 0.995 7.360 -7.857 473 1HD1 LEU 63 1HD1 LEU 63 1.653 4.460 -7.400 474 2HD1 LEU 63 2HD1 LEU 63 0.043 5.181 -7.370 475 3HD1 LEU 63 3HD1 LEU 63 1.239 5.639 -6.154 476 1HD2 LEU 63 1HD2 LEU 63 3.340 7.649 -8.423 477 2HD2 LEU 63 2HD2 LEU 63 3.649 5.954 -8.041 478 3HD2 LEU 63 3HD2 LEU 63 3.153 7.067 -6.768 479 H ALA 64 H ALA 64 1.007 8.414 -11.233 480 HA ALA 64 HA ALA 64 0.425 10.488 -9.446 481 1HB ALA 64 1HB ALA 64 1.035 11.996 -11.252 482 2HB ALA 64 2HB ALA 64 0.872 10.687 -12.422 483 3HB ALA 64 3HB ALA 64 2.142 10.622 -11.200 484 H GLU 65 H GLU 65 -1.479 8.985 -11.922 485 HA GLU 65 HA GLU 65 -3.469 11.056 -12.068 486 1HB GLU 65 2HB GLU 65 -3.122 9.570 -13.950 487 2HB GLU 65 1HB GLU 65 -3.477 8.166 -12.958 488 1HG GLU 65 2HG GLU 65 -5.754 8.653 -12.877 489 2HG GLU 65 1HG GLU 65 -5.507 10.320 -13.391 490 H LEU 66 H LEU 66 -3.317 7.845 -10.553 491 HA LEU 66 HA LEU 66 -5.759 7.971 -9.175 492 1HB LEU 66 2HB LEU 66 -4.564 5.889 -9.459 493 2HB LEU 66 1HB LEU 66 -3.194 6.500 -8.559 494 HG LEU 66 HG LEU 66 -5.815 6.346 -7.146 495 1HD1 LEU 66 1HD1 LEU 66 -5.422 3.990 -6.597 496 2HD1 LEU 66 2HD1 LEU 66 -4.070 3.954 -7.729 497 3HD1 LEU 66 3HD1 LEU 66 -5.710 4.215 -8.322 498 1HD2 LEU 66 1HD2 LEU 66 -4.387 5.799 -5.256 499 2HD2 LEU 66 2HD2 LEU 66 -3.811 7.265 -6.048 500 3HD2 LEU 66 3HD2 LEU 66 -2.978 5.735 -6.313 501 H ASP 67 H ASP 67 -2.522 9.032 -8.345 502 HA ASP 67 HA ASP 67 -2.952 9.817 -5.687 503 1HB ASP 67 2HB ASP 67 -0.739 9.591 -6.882 504 2HB ASP 67 1HB ASP 67 -1.085 11.116 -7.681 505 H ALA 68 H ALA 68 -3.088 11.674 -8.704 506 HA ALA 68 HA ALA 68 -3.788 14.148 -7.557 507 1HB ALA 68 1HB ALA 68 -2.854 13.913 -9.811 508 2HB ALA 68 2HB ALA 68 -4.359 14.833 -9.816 509 3HB ALA 68 3HB ALA 68 -4.351 13.149 -10.344 510 H LEU 69 H LEU 69 -5.660 11.340 -8.241 511 HA LEU 69 HA LEU 69 -8.177 12.740 -8.011 512 1HB LEU 69 2HB LEU 69 -7.339 9.933 -8.481 513 2HB LEU 69 1HB LEU 69 -8.931 10.202 -7.792 514 HG LEU 69 HG LEU 69 -7.945 11.363 -10.401 515 1HD1 LEU 69 1HD1 LEU 69 -9.496 9.798 -11.449 516 2HD1 LEU 69 2HD1 LEU 69 -9.896 9.120 -9.871 517 3HD1 LEU 69 3HD1 LEU 69 -8.267 8.938 -10.522 518 1HD2 LEU 69 1HD2 LEU 69 -10.650 11.430 -9.071 519 2HD2 LEU 69 2HD2 LEU 69 -10.294 12.019 -10.695 520 3HD2 LEU 69 3HD2 LEU 69 -9.558 12.797 -9.293 521 H ARG 70 H ARG 70 -6.281 10.497 -6.036 522 HA ARG 70 HA ARG 70 -8.254 10.398 -3.963 523 1HB ARG 70 2HB ARG 70 -5.578 9.208 -4.434 524 2HB ARG 70 1HB ARG 70 -6.087 9.351 -2.761 525 1HG ARG 70 2HG ARG 70 -6.581 7.153 -3.797 526 2HG ARG 70 1HG ARG 70 -7.998 7.973 -3.142 527 1HD ARG 70 2HD ARG 70 -7.257 8.234 -6.036 528 2HD ARG 70 1HD ARG 70 -8.172 6.839 -5.457 529 HE ARG 70 HE ARG 70 -9.299 9.365 -4.651 530 1HH1 ARG 70 1HH1 ARG 70 -9.213 6.983 -7.232 531 2HH1 ARG 70 2HH1 ARG 70 -10.741 7.478 -7.903 532 1HH2 ARG 70 1HH2 ARG 70 -11.285 10.012 -5.519 533 2HH2 ARG 70 2HH2 ARG 70 -11.930 9.205 -6.925 534 H THR 71 H THR 71 -5.002 11.835 -4.176 535 HA THR 71 HA THR 71 -5.643 13.352 -1.728 536 HB THR 71 HB THR 71 -4.028 11.656 -1.172 537 HG1 THR 71 HG1 THR 71 -2.532 14.053 -1.455 538 1HG2 THR 71 1HG2 THR 71 -2.318 12.753 -3.400 539 2HG2 THR 71 2HG2 THR 71 -3.168 11.207 -3.410 540 3HG2 THR 71 3HG2 THR 71 -1.853 11.486 -2.264 541 H ARG 72 H ARG 72 -6.267 14.261 -4.183 542 HA ARG 72 HA ARG 72 -4.600 15.771 -5.710 543 1HB ARG 72 2HB ARG 72 -6.897 15.412 -6.250 544 2HB ARG 72 1HB ARG 72 -7.430 16.257 -4.813 545 1HG ARG 72 2HG ARG 72 -6.739 18.360 -5.719 546 2HG ARG 72 1HG ARG 72 -5.990 17.561 -7.106 547 1HD ARG 72 2HD ARG 72 -8.039 16.932 -8.011 548 2HD ARG 72 1HD ARG 72 -8.888 17.146 -6.483 549 HE ARG 72 HE ARG 72 -7.827 19.607 -7.463 550 1HH1 ARG 72 1HH1 ARG 72 -10.440 17.308 -7.867 551 2HH1 ARG 72 2HH1 ARG 72 -11.576 18.494 -8.441 552 1HH2 ARG 72 1HH2 ARG 72 -9.341 21.181 -8.217 553 2HH2 ARG 72 2HH2 ARG 72 -10.947 20.669 -8.643 554 H GLY 73 H GLY 73 -6.068 16.732 -2.633 555 1HA GLY 73 2HA GLY 73 -4.497 19.227 -2.788 556 2HA GLY 73 1HA GLY 73 -6.050 19.096 -1.977 557 H GLY 74 H GLY 74 -4.024 16.400 -1.550 558 1HA GLY 74 2HA GLY 74 -2.517 15.893 0.197 559 2HA GLY 74 1HA GLY 74 -2.889 17.444 0.935 560 H GLU 75 H GLU 75 -4.023 14.181 0.412 561 HA GLU 75 HA GLU 75 -5.804 14.467 2.753 562 1HB GLU 75 2HB GLU 75 -6.978 14.339 0.505 563 2HB GLU 75 1HB GLU 75 -6.341 12.708 0.357 564 1HG GLU 75 2HG GLU 75 -8.596 12.589 1.134 565 2HG GLU 75 1HG GLU 75 -7.520 12.106 2.446 566 H TYR 76 H TYR 76 -3.406 12.655 1.046 567 HA TYR 76 HA TYR 76 -3.359 10.675 3.217 568 1HB TYR 76 2HB TYR 76 -2.954 10.090 0.273 569 2HB TYR 76 1HB TYR 76 -2.731 8.934 1.580 570 HD1 TYR 76 HD1 TYR 76 -5.181 10.756 -0.432 571 HD2 TYR 76 HD2 TYR 76 -4.637 8.003 2.759 572 HE1 TYR 76 HE1 TYR 76 -7.564 10.161 -0.543 573 HE2 TYR 76 HE2 TYR 76 -7.016 7.402 2.653 574 HH TYR 76 HH TYR 76 -9.114 8.365 1.892 575 H ALA 77 H ALA 77 -1.242 9.542 3.328 576 HA ALA 77 HA ALA 77 0.945 11.375 2.597 577 1HB ALA 77 1HB ALA 77 0.657 11.120 5.011 578 2HB ALA 77 2HB ALA 77 2.193 10.436 4.479 579 3HB ALA 77 3HB ALA 77 0.837 9.373 4.852 580 H ARG 78 H ARG 78 2.419 10.669 1.207 581 HA ARG 78 HA ARG 78 2.201 7.955 0.196 582 1HB ARG 78 2HB ARG 78 4.122 10.126 -0.657 583 2HB ARG 78 1HB ARG 78 3.722 8.662 -1.539 584 1HG ARG 78 2HG ARG 78 1.484 9.474 -1.949 585 2HG ARG 78 1HG ARG 78 1.795 10.904 -0.959 586 1HD ARG 78 2HD ARG 78 3.662 11.473 -2.516 587 2HD ARG 78 1HD ARG 78 3.135 10.148 -3.547 588 HE ARG 78 HE ARG 78 1.045 11.345 -3.893 589 1HH1 ARG 78 1HH1 ARG 78 3.682 13.163 -2.443 590 2HH1 ARG 78 2HH1 ARG 78 3.135 14.696 -3.065 591 1HH2 ARG 78 1HH2 ARG 78 0.327 13.351 -4.712 592 2HH2 ARG 78 2HH2 ARG 78 1.226 14.799 -4.340 593 H GLN 79 H GLN 79 3.173 6.447 1.426 594 HA GLN 79 HA GLN 79 5.861 7.046 2.465 595 1HB GLN 79 2HB GLN 79 3.989 6.159 4.003 596 2HB GLN 79 1HB GLN 79 4.197 4.631 3.163 597 1HG GLN 79 2HG GLN 79 6.551 4.582 3.837 598 2HG GLN 79 1HG GLN 79 6.326 6.096 4.709 599 1HE2 GLN 79 1HE2 GLN 79 3.619 5.277 5.568 600 2HE2 GLN 79 2HE2 GLN 79 3.868 4.130 6.835 601 H LEU 80 H LEU 80 7.325 6.525 0.936 602 HA LEU 80 HA LEU 80 6.868 4.314 -0.851 603 1HB LEU 80 2HB LEU 80 8.047 6.357 -1.597 604 2HB LEU 80 1HB LEU 80 9.347 6.000 -0.472 605 HG LEU 80 HG LEU 80 9.761 3.874 -1.689 606 1HD1 LEU 80 1HD1 LEU 80 7.789 5.001 -3.673 607 2HD1 LEU 80 2HD1 LEU 80 7.535 3.587 -2.651 608 3HD1 LEU 80 3HD1 LEU 80 8.784 3.561 -3.897 609 1HD2 LEU 80 1HD2 LEU 80 10.853 4.899 -3.602 610 2HD2 LEU 80 2HD2 LEU 80 11.064 5.894 -2.161 611 3HD2 LEU 80 3HD2 LEU 80 9.887 6.358 -3.390 612 H ILE 81 H ILE 81 7.134 2.319 -0.217 613 HA ILE 81 HA ILE 81 9.117 1.738 1.877 614 HB ILE 81 HB ILE 81 7.802 -0.326 2.289 615 1HG1 ILE 81 2HG1 ILE 81 5.730 0.942 0.481 616 2HG1 ILE 81 1HG1 ILE 81 6.770 -0.385 -0.018 617 1HG2 ILE 81 1HG2 ILE 81 7.458 1.610 3.678 618 2HG2 ILE 81 2HG2 ILE 81 5.898 0.840 3.380 619 3HG2 ILE 81 3HG2 ILE 81 6.344 2.305 2.501 620 1HD1 ILE 81 1HD1 ILE 81 4.748 -0.445 2.206 621 2HD1 ILE 81 2HD1 ILE 81 5.818 -1.776 1.762 622 3HD1 ILE 81 3HD1 ILE 81 4.597 -1.206 0.622 623 H GLN 82 H GLN 82 10.354 -0.233 1.679 624 HA GLN 82 HA GLN 82 10.946 -0.747 -1.141 625 1HB GLN 82 2HB GLN 82 12.577 -0.689 1.326 626 2HB GLN 82 1HB GLN 82 13.026 -1.892 0.125 627 1HG GLN 82 2HG GLN 82 12.630 0.985 -0.614 628 2HG GLN 82 1HG GLN 82 14.163 0.396 0.025 629 1HE2 GLN 82 1HE2 GLN 82 12.188 -1.663 -1.955 630 2HE2 GLN 82 2HE2 GLN 82 13.185 -1.621 -3.354 631 H THR 83 H THR 83 9.919 -2.423 -1.936 632 HA THR 83 HA THR 83 9.585 -4.833 -0.312 633 HB THR 83 HB THR 83 7.922 -5.513 -1.797 634 HG1 THR 83 HG1 THR 83 8.775 -3.727 -3.834 635 1HG2 THR 83 1HG2 THR 83 7.206 -3.422 -0.755 636 2HG2 THR 83 2HG2 THR 83 6.554 -3.550 -2.390 637 3HG2 THR 83 3HG2 THR 83 7.940 -2.503 -2.072 638 HA PRO 84 HA PRO 84 12.842 -7.041 -2.403 639 1HB PRO 84 2HB PRO 84 11.068 -9.313 -2.992 640 2HB PRO 84 1HB PRO 84 12.493 -9.242 -1.952 641 1HG PRO 84 2HG PRO 84 10.011 -9.465 -0.942 642 2HG PRO 84 1HG PRO 84 11.284 -8.544 -0.116 643 1HD PRO 84 2HD PRO 84 9.005 -7.552 -1.792 644 2HD PRO 84 1HD PRO 84 9.652 -6.902 -0.270 645 H TYR 85 H TYR 85 10.086 -6.061 -4.022 646 HA TYR 85 HA TYR 85 11.222 -6.876 -6.619 647 1HB TYR 85 2HB TYR 85 8.310 -6.421 -5.922 648 2HB TYR 85 1HB TYR 85 8.926 -6.827 -7.522 649 HD1 TYR 85 HD1 TYR 85 7.597 -8.130 -4.521 650 HD2 TYR 85 HD2 TYR 85 10.330 -9.041 -7.652 651 HE1 TYR 85 HE1 TYR 85 7.440 -10.521 -3.953 652 HE2 TYR 85 HE2 TYR 85 10.179 -11.432 -7.098 653 HH TYR 85 HH TYR 85 7.797 -12.737 -5.112 654 H GLY 86 H GLY 86 11.384 -4.427 -4.735 655 1HA GLY 86 2HA GLY 86 12.253 -2.376 -5.806 656 2HA GLY 86 1HA GLY 86 10.836 -2.431 -6.843 657 H SER 87 H SER 87 11.622 -0.211 -5.208 658 HA SER 87 HA SER 87 10.072 -0.112 -2.850 659 1HB SER 87 2HB SER 87 10.346 2.416 -3.184 660 2HB SER 87 1HB SER 87 11.815 1.464 -2.994 661 HG SER 87 HG SER 87 11.914 2.979 -4.738 662 H ALA 88 H ALA 88 7.993 0.330 -2.503 663 HA ALA 88 HA ALA 88 6.331 1.088 -4.816 664 1HB ALA 88 1HB ALA 88 4.577 -0.408 -3.974 665 2HB ALA 88 2HB ALA 88 5.655 -0.939 -2.682 666 3HB ALA 88 3HB ALA 88 6.053 -1.291 -4.365 667 H TRP 89 H TRP 89 4.441 2.292 -4.319 668 HA TRP 89 HA TRP 89 4.842 4.041 -2.047 669 1HB TRP 89 2HB TRP 89 2.789 4.138 -4.268 670 2HB TRP 89 1HB TRP 89 3.050 5.391 -3.065 671 HD1 TRP 89 HD1 TRP 89 4.451 4.030 -6.284 672 HE1 TRP 89 HE1 TRP 89 6.303 5.604 -7.104 673 HE3 TRP 89 HE3 TRP 89 4.897 7.012 -2.154 674 HZ2 TRP 89 HZ2 TRP 89 7.778 7.813 -6.141 675 HZ3 TRP 89 HZ3 TRP 89 6.556 8.827 -2.178 676 HH2 TRP 89 HH2 TRP 89 7.968 9.219 -4.134 677 H MET 90 H MET 90 3.907 3.767 -0.166 678 HA MET 90 HA MET 90 1.375 2.276 0.019 679 1HB MET 90 2HB MET 90 3.442 1.561 1.340 680 2HB MET 90 1HB MET 90 3.245 3.045 2.265 681 1HG MET 90 2HG MET 90 1.051 2.309 3.004 682 2HG MET 90 1HG MET 90 1.215 0.833 2.055 683 1HE MET 90 1HE MET 90 1.585 -0.673 5.597 684 2HE MET 90 2HE MET 90 0.860 -0.857 4.000 685 3HE MET 90 3HE MET 90 0.439 0.530 5.006 686 H TYR 91 H TYR 91 -0.443 3.459 0.407 687 HA TYR 91 HA TYR 91 -0.135 6.268 1.119 688 1HB TYR 91 2HB TYR 91 -2.444 4.648 0.078 689 2HB TYR 91 1HB TYR 91 -2.695 6.249 0.760 690 HD1 TYR 91 HD1 TYR 91 -1.754 4.391 -2.153 691 HD2 TYR 91 HD2 TYR 91 -1.466 8.207 -0.304 692 HE1 TYR 91 HE1 TYR 91 -1.221 5.401 -4.331 693 HE2 TYR 91 HE2 TYR 91 -0.925 9.229 -2.475 694 HH TYR 91 HH TYR 91 -0.313 8.800 -4.621 695 H VAL 92 H VAL 92 -0.121 6.829 3.167 696 HA VAL 92 HA VAL 92 -1.606 5.244 5.122 697 HB VAL 92 HB VAL 92 0.538 7.340 5.367 698 1HG1 VAL 92 1HG1 VAL 92 0.230 7.313 7.814 699 2HG1 VAL 92 2HG1 VAL 92 -1.262 6.396 7.598 700 3HG1 VAL 92 3HG1 VAL 92 -1.142 8.042 6.977 701 1HG2 VAL 92 1HG2 VAL 92 1.148 4.966 5.147 702 2HG2 VAL 92 2HG2 VAL 92 0.184 4.602 6.583 703 3HG2 VAL 92 3HG2 VAL 92 1.615 5.627 6.715 704 H TYR 93 H TYR 93 -3.504 5.862 5.898 705 HA TYR 93 HA TYR 93 -4.769 8.207 4.814 706 1HB TYR 93 2HB TYR 93 -6.022 6.096 5.123 707 2HB TYR 93 1HB TYR 93 -5.786 6.215 6.863 708 HD1 TYR 93 HD1 TYR 93 -7.701 6.835 7.992 709 HD2 TYR 93 HD2 TYR 93 -6.962 8.525 4.161 710 HE1 TYR 93 HE1 TYR 93 -9.775 8.148 8.174 711 HE2 TYR 93 HE2 TYR 93 -9.030 9.837 4.330 712 HH TYR 93 HH TYR 93 -10.768 10.174 7.248 713 H GLN 94 H GLN 94 -4.947 10.041 5.563 714 HA GLN 94 HA GLN 94 -3.782 10.704 8.124 715 1HB GLN 94 2HB GLN 94 -4.930 12.483 5.971 716 2HB GLN 94 1HB GLN 94 -3.926 12.962 7.309 717 1HG GLN 94 2HG GLN 94 -3.078 11.240 5.012 718 2HG GLN 94 1HG GLN 94 -2.654 12.932 5.258 719 1HE2 GLN 94 1HE2 GLN 94 -2.039 9.665 6.162 720 2HE2 GLN 94 2HE2 GLN 94 -0.627 9.966 7.115 721 H ARG 95 H ARG 95 -5.293 12.991 8.721 722 HA ARG 95 HA ARG 95 -7.263 13.793 9.558 723 1HB ARG 95 2HB ARG 95 -8.587 11.460 8.150 724 2HB ARG 95 1HB ARG 95 -9.389 12.893 8.765 725 1HG ARG 95 2HG ARG 95 -7.312 12.955 6.599 726 2HG ARG 95 1HG ARG 95 -9.042 12.830 6.289 727 1HD ARG 95 2HD ARG 95 -9.333 14.949 7.588 728 2HD ARG 95 1HD ARG 95 -7.574 15.089 7.634 729 HE ARG 95 HE ARG 95 -8.530 14.714 4.976 730 1HH1 ARG 95 1HH1 ARG 95 -8.195 17.138 7.491 731 2HH1 ARG 95 2HH1 ARG 95 -8.119 18.466 6.368 732 1HH2 ARG 95 1HH2 ARG 95 -8.456 16.449 3.513 733 2HH2 ARG 95 2HH2 ARG 95 -8.272 18.076 4.115 734 HA PRO 96 HA PRO 96 -8.201 11.382 13.259 735 1HB PRO 96 2HB PRO 96 -10.935 11.685 13.463 736 2HB PRO 96 1HB PRO 96 -9.754 12.866 14.036 737 1HG PRO 96 2HG PRO 96 -11.317 12.832 11.488 738 2HG PRO 96 1HG PRO 96 -10.932 14.199 12.549 739 1HD PRO 96 2HD PRO 96 -9.597 13.784 10.266 740 2HD PRO 96 1HD PRO 96 -8.779 14.400 11.716 741 H VAL 97 H VAL 97 -8.493 9.254 13.560 742 HA VAL 97 HA VAL 97 -9.828 7.752 11.423 743 HB VAL 97 HB VAL 97 -8.589 5.789 12.281 744 1HG1 VAL 97 1HG1 VAL 97 -6.892 8.194 11.617 745 2HG1 VAL 97 2HG1 VAL 97 -7.640 7.085 10.466 746 3HG1 VAL 97 3HG1 VAL 97 -6.356 6.516 11.534 747 1HG2 VAL 97 1HG2 VAL 97 -8.363 6.472 14.617 748 2HG2 VAL 97 2HG2 VAL 97 -7.283 7.781 14.139 749 3HG2 VAL 97 3HG2 VAL 97 -6.788 6.104 13.913 750 H ASP 98 H ASP 98 -10.849 9.026 14.113 751 HA ASP 98 HA ASP 98 -11.856 6.983 15.733 752 1HB ASP 98 2HB ASP 98 -12.772 9.803 15.208 753 2HB ASP 98 1HB ASP 98 -13.596 8.752 16.352 754 H GLY 99 H GLY 99 -13.396 5.524 15.421 755 1HA GLY 99 2HA GLY 99 -15.668 4.999 14.906 756 2HA GLY 99 1HA GLY 99 -15.623 6.206 13.632 757 H LEU 100 H LEU 100 -12.805 4.835 13.112 758 HA LEU 100 HA LEU 100 -13.890 3.118 11.038 759 1HB LEU 100 2HB LEU 100 -10.992 3.691 11.638 760 2HB LEU 100 1HB LEU 100 -11.655 3.036 10.157 761 HG LEU 100 HG LEU 100 -12.015 5.847 11.189 762 1HD1 LEU 100 1HD1 LEU 100 -10.788 6.452 9.147 763 2HD1 LEU 100 2HD1 LEU 100 -10.535 4.739 8.810 764 3HD1 LEU 100 3HD1 LEU 100 -9.824 5.470 10.250 765 1HD2 LEU 100 1HD2 LEU 100 -13.119 4.560 8.698 766 2HD2 LEU 100 2HD2 LEU 100 -13.205 6.276 9.099 767 3HD2 LEU 100 3HD2 LEU 100 -14.051 5.093 10.098 768 H LYS 101 H LYS 101 -13.033 0.951 10.685 769 HA LYS 101 HA LYS 101 -12.733 -0.497 13.194 770 1HB LYS 101 2HB LYS 101 -12.918 -1.566 10.366 771 2HB LYS 101 1HB LYS 101 -12.987 -2.523 11.839 772 1HG LYS 101 2HG LYS 101 -15.059 -1.283 12.464 773 2HG LYS 101 1HG LYS 101 -15.010 -0.514 10.877 774 1HD LYS 101 2HD LYS 101 -15.242 -3.474 11.426 775 2HD LYS 101 1HD LYS 101 -16.525 -2.412 10.842 776 1HE LYS 101 2HE LYS 101 -15.220 -1.973 8.811 777 2HE LYS 101 1HE LYS 101 -13.958 -3.057 9.398 778 1HZ LYS 101 1HZ LYS 101 -16.741 -3.778 8.655 779 2HZ LYS 101 2HZ LYS 101 -15.668 -4.843 9.424 780 3HZ LYS 101 3HZ LYS 101 -15.307 -4.253 7.876 781 H LEU 102 H LEU 102 -10.792 -0.953 13.995 782 HA LEU 102 HA LEU 102 -8.470 -0.656 12.231 783 1HB LEU 102 2HB LEU 102 -8.452 0.679 14.263 784 2HB LEU 102 1HB LEU 102 -8.680 -0.757 15.243 785 HG LEU 102 HG LEU 102 -6.465 -1.578 14.576 786 1HD1 LEU 102 1HD1 LEU 102 -4.941 -0.174 13.314 787 2HD1 LEU 102 2HD1 LEU 102 -6.204 1.039 13.105 788 3HD1 LEU 102 3HD1 LEU 102 -6.373 -0.549 12.355 789 1HD2 LEU 102 1HD2 LEU 102 -6.462 1.246 15.635 790 2HD2 LEU 102 2HD2 LEU 102 -5.132 0.097 15.775 791 3HD2 LEU 102 3HD2 LEU 102 -6.664 -0.226 16.585 792 H ILE 103 H ILE 103 -7.496 -2.365 11.454 793 HA ILE 103 HA ILE 103 -7.853 -4.961 12.753 794 HB ILE 103 HB ILE 103 -6.698 -4.436 10.007 795 1HG1 ILE 103 2HG1 ILE 103 -9.545 -5.169 10.730 796 2HG1 ILE 103 1HG1 ILE 103 -9.021 -3.606 10.112 797 1HG2 ILE 103 1HG2 ILE 103 -7.787 -6.912 11.335 798 2HG2 ILE 103 2HG2 ILE 103 -6.097 -6.575 10.960 799 3HG2 ILE 103 3HG2 ILE 103 -7.261 -6.813 9.654 800 1HD1 ILE 103 1HD1 ILE 103 -8.836 -6.224 8.636 801 2HD1 ILE 103 2HD1 ILE 103 -8.360 -4.644 8.014 802 3HD1 ILE 103 3HD1 ILE 103 -10.054 -4.976 8.379 803 H GLU 104 H GLU 104 -6.366 -4.881 14.335 804 HA GLU 104 HA GLU 104 -3.841 -3.639 14.184 805 1HB GLU 104 2HB GLU 104 -4.813 -5.806 16.060 806 2HB GLU 104 1HB GLU 104 -3.416 -4.769 16.325 807 1HG GLU 104 2HG GLU 104 -4.713 -2.899 16.730 808 2HG GLU 104 1HG GLU 104 -6.119 -3.570 15.904 809 H SER 105 H SER 105 -4.976 -6.658 13.089 810 HA SER 105 HA SER 105 -2.507 -8.093 13.342 811 1HB SER 105 2HB SER 105 -3.670 -9.762 11.848 812 2HB SER 105 1HB SER 105 -4.510 -9.382 13.350 813 HG SER 105 HG SER 105 -5.555 -9.302 11.019 814 H GLY 106 H GLY 106 -4.179 -6.436 10.699 815 1HA GLY 106 2HA GLY 106 -2.901 -5.206 9.059 816 2HA GLY 106 1HA GLY 106 -1.622 -6.399 9.232 817 H ASP 107 H ASP 107 -4.639 -7.858 9.203 818 HA ASP 107 HA ASP 107 -4.367 -8.490 6.339 819 1HB ASP 107 2HB ASP 107 -5.537 -10.599 6.839 820 2HB ASP 107 1HB ASP 107 -4.059 -10.450 7.780 821 H TRP 108 H TRP 108 -6.633 -9.300 5.471 822 HA TRP 108 HA TRP 108 -8.666 -7.397 6.393 823 1HB TRP 108 2HB TRP 108 -9.581 -8.548 3.994 824 2HB TRP 108 1HB TRP 108 -9.005 -6.908 4.234 825 HD1 TRP 108 HD1 TRP 108 -8.283 -9.928 2.250 826 HE1 TRP 108 HE1 TRP 108 -5.988 -9.657 1.064 827 HE3 TRP 108 HE3 TRP 108 -6.534 -5.950 4.855 828 HZ2 TRP 108 HZ2 TRP 108 -3.722 -7.943 1.267 829 HZ3 TRP 108 HZ3 TRP 108 -4.338 -5.059 4.361 830 HH2 TRP 108 HH2 TRP 108 -2.931 -6.022 2.592 831 H LEU 109 H LEU 109 -7.982 -10.687 5.503 832 HA LEU 109 HA LEU 109 -10.565 -11.574 6.562 833 1HB LEU 109 2HB LEU 109 -9.085 -12.630 4.152 834 2HB LEU 109 1HB LEU 109 -10.525 -13.364 4.838 835 HG LEU 109 HG LEU 109 -10.427 -10.565 3.713 836 1HD1 LEU 109 1HD1 LEU 109 -10.004 -12.200 1.958 837 2HD1 LEU 109 2HD1 LEU 109 -11.600 -11.473 1.780 838 3HD1 LEU 109 3HD1 LEU 109 -11.442 -13.102 2.441 839 1HD2 LEU 109 1HD2 LEU 109 -12.171 -10.918 5.386 840 2HD2 LEU 109 2HD2 LEU 109 -12.741 -12.333 4.503 841 3HD2 LEU 109 3HD2 LEU 109 -12.866 -10.731 3.777 842 H ASP 110 H ASP 110 -7.758 -11.385 7.649 843 HA ASP 110 HA ASP 110 -6.209 -12.550 8.785 844 1HB ASP 110 2HB ASP 110 -8.102 -13.056 10.214 845 2HB ASP 110 1HB ASP 110 -8.557 -14.413 9.193 846 H ARG 111 H ARG 111 -7.401 -15.688 8.312 847 HA ARG 111 HA ARG 111 -5.516 -16.147 6.095 848 1HB ARG 111 2HB ARG 111 -6.036 -18.103 8.327 849 2HB ARG 111 1HB ARG 111 -4.700 -18.086 7.177 850 1HG ARG 111 2HG ARG 111 -3.643 -16.312 8.239 851 2HG ARG 111 1HG ARG 111 -5.105 -15.829 9.098 852 1HD ARG 111 2HD ARG 111 -4.733 -18.365 10.019 853 2HD ARG 111 1HD ARG 111 -3.070 -17.820 9.795 854 HE ARG 111 HE ARG 111 -4.849 -16.007 11.214 855 1HH1 ARG 111 1HH1 ARG 111 -2.315 -18.420 11.394 856 2HH1 ARG 111 2HH1 ARG 111 -1.903 -18.043 13.038 857 1HH2 ARG 111 1HH2 ARG 111 -4.309 -15.519 13.392 858 2HH2 ARG 111 2HH2 ARG 111 -3.042 -16.422 14.179 859 H ASP 112 H ASP 112 -8.554 -15.985 6.947 860 HA ASP 112 HA ASP 112 -9.524 -18.333 5.502 861 1HB ASP 112 2HB ASP 112 -10.829 -16.322 7.329 862 2HB ASP 112 1HB ASP 112 -11.785 -17.370 6.290 863 H LYS 113 H LYS 113 -8.467 -17.211 3.636 864 HA LYS 113 HA LYS 113 -9.681 -14.782 2.677 865 1HB LYS 113 2HB LYS 113 -7.707 -16.589 1.280 866 2HB LYS 113 1HB LYS 113 -8.074 -14.919 0.870 867 1HG LYS 113 2HG LYS 113 -7.166 -14.203 3.032 868 2HG LYS 113 1HG LYS 113 -6.764 -15.875 3.404 869 1HD LYS 113 2HD LYS 113 -5.694 -14.437 0.987 870 2HD LYS 113 1HD LYS 113 -4.873 -14.436 2.544 871 1HE LYS 113 2HE LYS 113 -3.846 -16.156 1.321 872 2HE LYS 113 1HE LYS 113 -4.953 -16.975 2.418 873 1HZ LYS 113 1HZ LYS 113 -4.963 -17.826 0.097 874 2HZ LYS 113 2HZ LYS 113 -5.615 -16.343 -0.409 875 3HZ LYS 113 3HZ LYS 113 -6.487 -17.336 0.656 Start of MODEL 5 1 1H MET 1 1HT MET 1 6.186 2.918 -13.226 2 2H MET 1 2HT MET 1 4.858 1.875 -13.056 3 3H MET 1 3HT MET 1 6.425 1.302 -12.775 4 HA MET 1 HA MET 1 6.651 2.775 -10.892 5 1HB MET 1 2HB MET 1 5.010 4.453 -11.836 6 2HB MET 1 1HB MET 1 3.728 3.385 -11.280 7 1HG MET 1 2HG MET 1 4.186 5.236 -9.734 8 2HG MET 1 1HG MET 1 4.421 3.650 -8.999 9 1HE MET 1 1HE MET 1 6.080 6.910 -10.332 10 2HE MET 1 2HE MET 1 6.751 5.712 -11.441 11 3HE MET 1 3HE MET 1 7.799 6.518 -10.274 12 H ARG 2 H ARG 2 5.611 2.160 -8.692 13 HA ARG 2 HA ARG 2 3.954 -0.201 -8.871 14 1HB ARG 2 2HB ARG 2 5.450 -1.290 -7.127 15 2HB ARG 2 1HB ARG 2 5.976 -1.340 -8.791 16 1HG ARG 2 2HG ARG 2 6.996 0.695 -6.830 17 2HG ARG 2 1HG ARG 2 7.724 -0.900 -7.007 18 1HD ARG 2 2HD ARG 2 7.632 -0.102 -9.590 19 2HD ARG 2 1HD ARG 2 7.831 1.447 -8.782 20 HE ARG 2 HE ARG 2 9.743 -0.765 -8.846 21 1HH1 ARG 2 1HH1 ARG 2 8.955 2.446 -7.662 22 2HH1 ARG 2 2HH1 ARG 2 10.607 2.856 -7.305 23 1HH2 ARG 2 1HH2 ARG 2 11.913 -0.215 -8.381 24 2HH2 ARG 2 2HH2 ARG 2 12.272 1.347 -7.697 25 H ILE 3 H ILE 3 2.727 -0.618 -7.059 26 HA ILE 3 HA ILE 3 2.769 1.422 -4.951 27 HB ILE 3 HB ILE 3 1.219 2.273 -6.609 28 1HG1 ILE 3 2HG1 ILE 3 -0.312 1.057 -4.297 29 2HG1 ILE 3 1HG1 ILE 3 0.620 2.547 -4.223 30 1HG2 ILE 3 1HG2 ILE 3 0.726 0.220 -7.785 31 2HG2 ILE 3 2HG2 ILE 3 -0.769 1.014 -7.295 32 3HG2 ILE 3 3HG2 ILE 3 -0.182 -0.388 -6.401 33 1HD1 ILE 3 1HD1 ILE 3 -1.733 3.029 -4.438 34 2HD1 ILE 3 2HD1 ILE 3 -1.823 2.054 -5.906 35 3HD1 ILE 3 3HD1 ILE 3 -0.876 3.543 -5.892 36 H PHE 4 H PHE 4 1.851 0.751 -2.979 37 HA PHE 4 HA PHE 4 1.684 -2.157 -2.723 38 1HB PHE 4 2HB PHE 4 3.178 -0.854 -1.224 39 2HB PHE 4 1HB PHE 4 1.775 -0.004 -0.594 40 HD1 PHE 4 HD1 PHE 4 0.430 -0.951 1.106 41 HD2 PHE 4 HD2 PHE 4 3.424 -3.293 -0.809 42 HE1 PHE 4 HE1 PHE 4 0.152 -2.695 2.816 43 HE2 PHE 4 HE2 PHE 4 3.153 -5.039 0.902 44 HZ PHE 4 HZ PHE 4 1.515 -4.742 2.714 45 H VAL 5 H VAL 5 -0.253 -3.030 -2.950 46 HA VAL 5 HA VAL 5 -2.645 -1.556 -2.166 47 HB VAL 5 HB VAL 5 -2.346 -4.250 -3.525 48 1HG1 VAL 5 1HG1 VAL 5 -4.744 -4.125 -3.983 49 2HG1 VAL 5 2HG1 VAL 5 -4.848 -2.621 -3.069 50 3HG1 VAL 5 3HG1 VAL 5 -4.441 -4.125 -2.245 51 1HG2 VAL 5 1HG2 VAL 5 -3.138 -1.554 -4.607 52 2HG2 VAL 5 2HG2 VAL 5 -3.136 -3.064 -5.520 53 3HG2 VAL 5 3HG2 VAL 5 -1.620 -2.394 -4.917 54 H TYR 6 H TYR 6 -4.101 -2.380 -0.650 55 HA TYR 6 HA TYR 6 -3.020 -4.370 1.206 56 1HB TYR 6 2HB TYR 6 -4.286 -2.532 2.848 57 2HB TYR 6 1HB TYR 6 -2.545 -2.701 2.645 58 HD1 TYR 6 HD1 TYR 6 -5.460 -0.973 1.033 59 HD2 TYR 6 HD2 TYR 6 -1.323 -0.852 2.022 60 HE1 TYR 6 HE1 TYR 6 -5.322 1.314 0.143 61 HE2 TYR 6 HE2 TYR 6 -1.170 1.433 1.132 62 HH TYR 6 HH TYR 6 -2.341 2.875 -0.438 63 H GLY 7 H GLY 7 -4.641 -5.563 -0.149 64 1HA GLY 7 2HA GLY 7 -6.716 -6.606 -0.176 65 2HA GLY 7 1HA GLY 7 -7.233 -5.552 1.137 66 H SER 8 H SER 8 -9.241 -5.402 -0.128 67 HA SER 8 HA SER 8 -10.671 -4.499 -1.638 68 1HB SER 8 2HB SER 8 -10.377 -2.069 -2.052 69 2HB SER 8 1HB SER 8 -10.215 -2.508 -0.356 70 HG SER 8 HG SER 8 -7.802 -2.622 -1.483 71 H LEU 9 H LEU 9 -8.245 -5.914 -2.735 72 HA LEU 9 HA LEU 9 -7.632 -4.733 -5.245 73 1HB LEU 9 2HB LEU 9 -6.510 -6.752 -5.780 74 2HB LEU 9 1HB LEU 9 -6.234 -6.457 -4.078 75 HG LEU 9 HG LEU 9 -8.307 -8.397 -5.103 76 1HD1 LEU 9 1HD1 LEU 9 -5.494 -8.960 -4.178 77 2HD1 LEU 9 2HD1 LEU 9 -6.074 -9.071 -5.840 78 3HD1 LEU 9 3HD1 LEU 9 -6.712 -10.161 -4.609 79 1HD2 LEU 9 1HD2 LEU 9 -8.136 -9.320 -2.825 80 2HD2 LEU 9 2HD2 LEU 9 -8.723 -7.658 -2.840 81 3HD2 LEU 9 3HD2 LEU 9 -7.051 -8.000 -2.389 82 H ARG 10 H ARG 10 -10.447 -5.645 -4.172 83 HA ARG 10 HA ARG 10 -11.621 -7.232 -6.184 84 1HB ARG 10 2HB ARG 10 -12.837 -5.137 -4.367 85 2HB ARG 10 1HB ARG 10 -13.766 -6.250 -5.359 86 1HG ARG 10 2HG ARG 10 -11.816 -7.183 -3.274 87 2HG ARG 10 1HG ARG 10 -13.513 -6.852 -2.920 88 1HD ARG 10 2HD ARG 10 -12.497 -8.812 -4.975 89 2HD ARG 10 1HD ARG 10 -13.100 -9.233 -3.372 90 HE ARG 10 HE ARG 10 -15.271 -8.240 -4.121 91 1HH1 ARG 10 1HH1 ARG 10 -12.971 -9.526 -6.446 92 2HH1 ARG 10 2HH1 ARG 10 -14.184 -9.823 -7.660 93 1HH2 ARG 10 1HH2 ARG 10 -16.859 -8.659 -5.717 94 2HH2 ARG 10 2HH2 ARG 10 -16.378 -9.333 -7.243 95 H HIS 11 H HIS 11 -11.214 -3.747 -5.786 96 HA HIS 11 HA HIS 11 -12.564 -3.202 -8.299 97 1HB HIS 11 2HB HIS 11 -12.847 -1.718 -6.301 98 2HB HIS 11 1HB HIS 11 -11.154 -1.264 -6.452 99 HD1 HIS 11 HD1 HIS 11 -10.605 0.585 -8.057 100 HD2 HIS 11 HD2 HIS 11 -14.484 -0.830 -8.515 101 HE1 HIS 11 HE1 HIS 11 -11.724 2.187 -9.640 102 HE2 HIS 11 HE2 HIS 11 -14.116 1.397 -9.784 103 H LYS 12 H LYS 12 -10.959 -4.504 -9.481 104 HA LYS 12 HA LYS 12 -8.336 -3.318 -9.816 105 1HB LYS 12 2HB LYS 12 -8.613 -5.765 -9.781 106 2HB LYS 12 1HB LYS 12 -9.631 -5.672 -11.208 107 1HG LYS 12 2HG LYS 12 -7.807 -4.997 -12.569 108 2HG LYS 12 1HG LYS 12 -6.769 -4.758 -11.164 109 1HD LYS 12 2HD LYS 12 -6.192 -6.830 -12.288 110 2HD LYS 12 1HD LYS 12 -6.867 -7.174 -10.699 111 1HE LYS 12 2HE LYS 12 -8.529 -7.233 -13.207 112 2HE LYS 12 1HE LYS 12 -7.633 -8.640 -12.642 113 1HZ LYS 12 1HZ LYS 12 -9.813 -8.858 -11.814 114 2HZ LYS 12 2HZ LYS 12 -9.879 -7.251 -11.289 115 3HZ LYS 12 3HZ LYS 12 -8.880 -8.359 -10.485 116 H GLN 13 H GLN 13 -9.389 -1.294 -10.457 117 HA GLN 13 HA GLN 13 -9.281 -0.821 -13.236 118 1HB GLN 13 2HB GLN 13 -11.771 -1.809 -12.344 119 2HB GLN 13 1HB GLN 13 -11.996 -0.080 -12.549 120 1HG GLN 13 2HG GLN 13 -10.793 -1.780 -14.705 121 2HG GLN 13 1HG GLN 13 -12.536 -1.607 -14.519 122 1HE2 GLN 13 1HE2 GLN 13 -10.849 -0.807 -16.744 123 2HE2 GLN 13 2HE2 GLN 13 -11.085 0.902 -16.936 124 H GLY 14 H GLY 14 -10.835 1.478 -13.369 125 1HA GLY 14 2HA GLY 14 -10.892 3.281 -11.327 126 2HA GLY 14 1HA GLY 14 -9.211 3.301 -11.853 127 H ASN 15 H ASN 15 -9.005 3.342 -14.306 128 HA ASN 15 HA ASN 15 -11.201 4.752 -15.639 129 1HB ASN 15 2HB ASN 15 -8.272 5.524 -15.796 130 2HB ASN 15 1HB ASN 15 -9.501 6.108 -16.911 131 1HD2 ASN 15 1HD2 ASN 15 -8.073 6.428 -13.822 132 2HD2 ASN 15 2HD2 ASN 15 -9.027 7.765 -13.273 133 H SER 16 H SER 16 -7.942 3.658 -16.461 134 HA SER 16 HA SER 16 -8.850 1.393 -17.953 135 1HB SER 16 2HB SER 16 -7.938 2.263 -20.147 136 2HB SER 16 1HB SER 16 -9.427 3.043 -19.613 137 HG SER 16 HG SER 16 -7.758 4.515 -20.345 138 H HIS 17 H HIS 17 -6.305 3.750 -17.430 139 HA HIS 17 HA HIS 17 -4.066 2.270 -18.184 140 1HB HIS 17 2HB HIS 17 -4.318 4.420 -16.069 141 2HB HIS 17 1HB HIS 17 -2.799 3.845 -16.745 142 HD1 HIS 17 HD1 HIS 17 -1.980 5.033 -18.788 143 HD2 HIS 17 HD2 HIS 17 -6.008 5.743 -18.050 144 HE1 HIS 17 HE1 HIS 17 -2.687 6.751 -20.477 145 HE2 HIS 17 HE2 HIS 17 -5.175 6.986 -20.160 146 H TRP 18 H TRP 18 -6.057 1.884 -15.396 147 HA TRP 18 HA TRP 18 -4.021 0.656 -13.794 148 1HB TRP 18 2HB TRP 18 -6.009 1.786 -12.798 149 2HB TRP 18 1HB TRP 18 -7.020 0.491 -13.436 150 HD1 TRP 18 HD1 TRP 18 -7.133 -1.739 -12.058 151 HE1 TRP 18 HE1 TRP 18 -6.108 -2.511 -9.824 152 HE3 TRP 18 HE3 TRP 18 -3.800 2.072 -11.326 153 HZ2 TRP 18 HZ2 TRP 18 -4.139 -1.628 -8.001 154 HZ3 TRP 18 HZ3 TRP 18 -2.380 2.028 -9.317 155 HH2 TRP 18 HH2 TRP 18 -2.548 0.217 -7.690 156 H MET 19 H MET 19 -7.008 -0.675 -15.246 157 HA MET 19 HA MET 19 -6.311 -3.336 -14.635 158 1HB MET 19 2HB MET 19 -8.243 -3.993 -15.901 159 2HB MET 19 1HB MET 19 -8.636 -2.536 -15.001 160 1HG MET 19 2HG MET 19 -8.389 -1.193 -16.992 161 2HG MET 19 1HG MET 19 -7.876 -2.605 -17.914 162 1HE MET 19 1HE MET 19 -9.870 -4.823 -16.688 163 2HE MET 19 2HE MET 19 -9.494 -4.702 -18.406 164 3HE MET 19 3HE MET 19 -11.174 -4.771 -17.873 165 H THR 20 H THR 20 -5.660 -1.348 -17.430 166 HA THR 20 HA THR 20 -4.998 -3.575 -19.135 167 HB THR 20 HB THR 20 -4.422 -0.642 -19.577 168 HG1 THR 20 HG1 THR 20 -6.766 -2.197 -20.076 169 1HG2 THR 20 1HG2 THR 20 -3.253 -2.145 -21.116 170 2HG2 THR 20 2HG2 THR 20 -4.520 -1.251 -21.957 171 3HG2 THR 20 3HG2 THR 20 -4.775 -2.939 -21.512 172 H ASN 21 H ASN 21 -3.314 -1.471 -16.945 173 HA ASN 21 HA ASN 21 -0.727 -2.292 -18.094 174 1HB ASN 21 2HB ASN 21 -1.375 0.226 -16.543 175 2HB ASN 21 1HB ASN 21 0.181 -0.180 -17.258 176 1HD2 ASN 21 1HD2 ASN 21 0.513 0.214 -19.378 177 2HD2 ASN 21 2HD2 ASN 21 -0.627 0.963 -20.429 178 H ALA 22 H ALA 22 -2.511 -3.438 -15.858 179 HA ALA 22 HA ALA 22 -0.806 -3.073 -13.523 180 1HB ALA 22 1HB ALA 22 -3.344 -4.673 -13.800 181 2HB ALA 22 2HB ALA 22 -3.244 -3.001 -13.250 182 3HB ALA 22 3HB ALA 22 -2.504 -4.287 -12.298 183 H GLN 23 H GLN 23 0.855 -4.331 -13.168 184 HA GLN 23 HA GLN 23 0.669 -7.173 -13.934 185 1HB GLN 23 2HB GLN 23 2.529 -6.127 -15.073 186 2HB GLN 23 1HB GLN 23 3.104 -5.414 -13.571 187 1HG GLN 23 2HG GLN 23 3.605 -7.628 -12.691 188 2HG GLN 23 1HG GLN 23 3.000 -8.366 -14.172 189 1HE2 GLN 23 1HE2 GLN 23 4.991 -9.356 -14.543 190 2HE2 GLN 23 2HE2 GLN 23 6.360 -8.463 -15.113 191 H LEU 24 H LEU 24 0.637 -8.622 -12.330 192 HA LEU 24 HA LEU 24 0.687 -7.693 -9.603 193 1HB LEU 24 2HB LEU 24 -0.937 -9.370 -10.223 194 2HB LEU 24 1HB LEU 24 0.328 -10.441 -10.793 195 HG LEU 24 HG LEU 24 1.151 -10.720 -8.501 196 1HD1 LEU 24 1HD1 LEU 24 -1.183 -8.981 -7.718 197 2HD1 LEU 24 2HD1 LEU 24 0.520 -8.535 -7.615 198 3HD1 LEU 24 3HD1 LEU 24 -0.113 -9.839 -6.610 199 1HD2 LEU 24 1HD2 LEU 24 -0.768 -11.971 -7.611 200 2HD2 LEU 24 2HD2 LEU 24 -0.500 -12.283 -9.327 201 3HD2 LEU 24 3HD2 LEU 24 -1.804 -11.211 -8.818 202 H LEU 25 H LEU 25 2.625 -7.190 -8.832 203 HA LEU 25 HA LEU 25 5.022 -8.544 -9.537 204 1HB LEU 25 2HB LEU 25 4.393 -6.638 -7.279 205 2HB LEU 25 1HB LEU 25 6.001 -7.235 -7.635 206 HG LEU 25 HG LEU 25 4.314 -5.581 -9.516 207 1HD1 LEU 25 1HD1 LEU 25 6.705 -4.829 -7.839 208 2HD1 LEU 25 2HD1 LEU 25 5.049 -4.268 -7.610 209 3HD1 LEU 25 3HD1 LEU 25 5.945 -3.805 -9.057 210 1HD2 LEU 25 1HD2 LEU 25 5.827 -7.112 -10.676 211 2HD2 LEU 25 2HD2 LEU 25 7.179 -6.503 -9.722 212 3HD2 LEU 25 3HD2 LEU 25 6.350 -5.435 -10.854 213 H GLY 26 H GLY 26 2.947 -8.571 -6.647 214 1HA GLY 26 2HA GLY 26 2.629 -11.129 -6.144 215 2HA GLY 26 1HA GLY 26 4.327 -10.974 -5.711 216 H ASP 27 H ASP 27 2.543 -11.803 -3.817 217 HA ASP 27 HA ASP 27 1.546 -9.668 -2.228 218 1HB ASP 27 2HB ASP 27 2.349 -12.427 -1.308 219 2HB ASP 27 1HB ASP 27 1.365 -11.292 -0.411 220 H PHE 28 H PHE 28 2.363 -8.829 -0.357 221 HA PHE 28 HA PHE 28 4.975 -9.566 0.613 222 1HB PHE 28 2HB PHE 28 5.622 -8.055 -1.176 223 2HB PHE 28 1HB PHE 28 4.501 -6.834 -0.593 224 HD1 PHE 28 HD1 PHE 28 5.762 -5.027 0.020 225 HD2 PHE 28 HD2 PHE 28 6.993 -8.909 1.251 226 HE1 PHE 28 HE1 PHE 28 7.539 -4.022 1.391 227 HE2 PHE 28 HE2 PHE 28 8.773 -7.913 2.626 228 HZ PHE 28 HZ PHE 28 9.041 -5.462 2.702 229 H SER 29 H SER 29 3.787 -10.075 2.442 230 HA SER 29 HA SER 29 2.246 -8.087 3.819 231 1HB SER 29 2HB SER 29 3.291 -10.729 4.868 232 2HB SER 29 1HB SER 29 1.965 -9.775 5.533 233 HG SER 29 HG SER 29 2.066 -11.280 3.152 234 H ILE 30 H ILE 30 2.924 -6.675 5.339 235 HA ILE 30 HA ILE 30 5.775 -6.830 6.061 236 HB ILE 30 HB ILE 30 5.684 -4.330 6.280 237 1HG1 ILE 30 2HG1 ILE 30 3.051 -4.732 4.851 238 2HG1 ILE 30 1HG1 ILE 30 3.287 -3.998 6.432 239 1HG2 ILE 30 1HG2 ILE 30 6.706 -5.465 4.377 240 2HG2 ILE 30 2HG2 ILE 30 5.954 -3.944 3.895 241 3HG2 ILE 30 3HG2 ILE 30 5.150 -5.473 3.544 242 1HD1 ILE 30 1HD1 ILE 30 2.861 -2.326 4.710 243 2HD1 ILE 30 2HD1 ILE 30 4.278 -2.883 3.814 244 3HD1 ILE 30 3HD1 ILE 30 4.473 -2.143 5.403 245 H ASP 31 H ASP 31 6.358 -6.670 8.105 246 HA ASP 31 HA ASP 31 4.300 -6.944 10.103 247 1HB ASP 31 2HB ASP 31 6.210 -7.391 11.615 248 2HB ASP 31 1HB ASP 31 6.235 -8.416 10.188 249 H ASN 32 H ASN 32 4.221 -5.715 12.027 250 HA ASN 32 HA ASN 32 4.248 -3.880 13.343 251 1HB ASN 32 2HB ASN 32 6.774 -3.343 11.794 252 2HB ASN 32 1HB ASN 32 6.178 -2.219 13.010 253 1HD2 ASN 32 1HD2 ASN 32 7.594 -5.338 12.427 254 2HD2 ASN 32 2HD2 ASN 32 7.958 -5.700 14.083 255 H TYR 33 H TYR 33 2.722 -3.925 10.858 256 HA TYR 33 HA TYR 33 2.217 -1.029 10.832 257 1HB TYR 33 2HB TYR 33 2.045 -2.867 8.438 258 2HB TYR 33 1HB TYR 33 1.365 -1.258 8.484 259 HD1 TYR 33 HD1 TYR 33 4.482 -3.188 8.371 260 HD2 TYR 33 HD2 TYR 33 2.760 0.702 8.349 261 HE1 TYR 33 HE1 TYR 33 6.620 -2.253 7.605 262 HE2 TYR 33 HE2 TYR 33 4.899 1.650 7.592 263 HH TYR 33 HH TYR 33 7.454 -0.257 6.430 264 H GLN 34 H GLN 34 -0.091 -0.643 9.930 265 HA GLN 34 HA GLN 34 -1.956 -2.692 10.887 266 1HB GLN 34 2HB GLN 34 -1.780 0.153 11.880 267 2HB GLN 34 1HB GLN 34 -3.208 -0.850 12.098 268 1HG GLN 34 2HG GLN 34 -2.022 -2.386 13.468 269 2HG GLN 34 1HG GLN 34 -0.476 -1.638 13.075 270 1HE2 GLN 34 1HE2 GLN 34 -1.508 1.063 13.290 271 2HE2 GLN 34 2HE2 GLN 34 -1.710 1.379 14.978 272 H LEU 35 H LEU 35 -4.171 -2.310 10.194 273 HA LEU 35 HA LEU 35 -4.322 -0.643 7.764 274 1HB LEU 35 2HB LEU 35 -4.117 -3.080 7.306 275 2HB LEU 35 1HB LEU 35 -5.589 -3.348 8.216 276 HG LEU 35 HG LEU 35 -6.790 -1.899 6.551 277 1HD1 LEU 35 1HD1 LEU 35 -5.712 -1.523 4.391 278 2HD1 LEU 35 2HD1 LEU 35 -4.203 -2.173 5.028 279 3HD1 LEU 35 3HD1 LEU 35 -4.869 -0.680 5.689 280 1HD2 LEU 35 1HD2 LEU 35 -6.885 -3.638 4.834 281 2HD2 LEU 35 2HD2 LEU 35 -6.907 -4.326 6.458 282 3HD2 LEU 35 3HD2 LEU 35 -5.428 -4.374 5.499 283 H TYR 36 H TYR 36 -5.976 0.764 7.711 284 HA TYR 36 HA TYR 36 -7.951 0.692 9.857 285 1HB TYR 36 2HB TYR 36 -7.291 2.762 7.766 286 2HB TYR 36 1HB TYR 36 -8.632 2.928 8.894 287 HD1 TYR 36 HD1 TYR 36 -5.066 3.212 8.428 288 HD2 TYR 36 HD2 TYR 36 -8.175 3.087 11.329 289 HE1 TYR 36 HE1 TYR 36 -3.533 4.161 10.093 290 HE2 TYR 36 HE2 TYR 36 -6.652 4.040 13.011 291 HH TYR 36 HH TYR 36 -4.232 4.210 13.419 292 H SER 37 H SER 37 -10.095 0.431 9.629 293 HA SER 37 HA SER 37 -11.119 -0.149 6.931 294 1HB SER 37 2HB SER 37 -12.091 -1.162 9.613 295 2HB SER 37 1HB SER 37 -12.868 -1.493 8.066 296 HG SER 37 HG SER 37 -10.183 -2.054 8.110 297 H LEU 38 H LEU 38 -12.092 1.640 6.215 298 HA LEU 38 HA LEU 38 -14.097 2.861 7.983 299 1HB LEU 38 2HB LEU 38 -13.833 4.920 6.516 300 2HB LEU 38 1HB LEU 38 -12.552 4.573 7.658 301 HG LEU 38 HG LEU 38 -12.257 3.643 4.832 302 1HD1 LEU 38 1HD1 LEU 38 -11.228 5.798 4.262 303 2HD1 LEU 38 2HD1 LEU 38 -11.746 6.450 5.816 304 3HD1 LEU 38 3HD1 LEU 38 -12.947 5.969 4.617 305 1HD2 LEU 38 1HD2 LEU 38 -10.308 4.679 6.894 306 2HD2 LEU 38 2HD2 LEU 38 -9.901 4.010 5.313 307 3HD2 LEU 38 3HD2 LEU 38 -10.623 2.978 6.548 308 H GLY 39 H GLY 39 -13.825 0.767 5.597 309 1HA GLY 39 2HA GLY 39 -15.614 -0.211 4.460 310 2HA GLY 39 1HA GLY 39 -16.557 1.245 4.742 311 H HIS 40 H HIS 40 -15.193 3.219 3.615 312 HA HIS 40 HA HIS 40 -15.830 2.921 0.901 313 1HB HIS 40 2HB HIS 40 -15.596 5.037 2.423 314 2HB HIS 40 1HB HIS 40 -13.932 5.035 1.853 315 HD1 HIS 40 HD1 HIS 40 -17.446 5.080 0.409 316 HD2 HIS 40 HD2 HIS 40 -13.594 6.344 -0.494 317 HE1 HIS 40 HE1 HIS 40 -17.662 6.469 -1.677 318 HE2 HIS 40 HE2 HIS 40 -15.360 7.442 -2.024 319 H TYR 41 H TYR 41 -12.675 3.077 2.504 320 HA TYR 41 HA TYR 41 -11.523 1.154 0.784 321 1HB TYR 41 2HB TYR 41 -9.625 2.835 0.050 322 2HB TYR 41 1HB TYR 41 -11.077 2.643 -0.916 323 HD1 TYR 41 HD1 TYR 41 -10.775 4.626 2.229 324 HD2 TYR 41 HD2 TYR 41 -11.143 4.701 -2.007 325 HE1 TYR 41 HE1 TYR 41 -11.172 7.049 2.309 326 HE2 TYR 41 HE2 TYR 41 -11.543 7.122 -1.934 327 HH TYR 41 HH TYR 41 -10.971 8.999 0.827 328 HA PRO 42 HA PRO 42 -9.007 0.819 4.336 329 1HB PRO 42 2HB PRO 42 -6.804 -0.395 2.943 330 2HB PRO 42 1HB PRO 42 -8.074 -1.179 3.880 331 1HG PRO 42 2HG PRO 42 -7.792 -1.417 1.160 332 2HG PRO 42 1HG PRO 42 -9.318 -1.648 2.030 333 1HD PRO 42 2HD PRO 42 -8.347 0.731 0.499 334 2HD PRO 42 1HD PRO 42 -9.980 0.034 0.587 335 H GLY 43 H GLY 43 -7.406 1.734 5.507 336 1HA GLY 43 2HA GLY 43 -5.380 3.360 4.088 337 2HA GLY 43 1HA GLY 43 -6.094 3.847 5.625 338 H ALA 44 H ALA 44 -3.309 3.596 5.405 339 HA ALA 44 HA ALA 44 -2.797 1.186 6.989 340 1HB ALA 44 1HB ALA 44 -1.246 1.772 4.474 341 2HB ALA 44 2HB ALA 44 -2.486 0.530 4.631 342 3HB ALA 44 3HB ALA 44 -1.002 0.417 5.576 343 H VAL 45 H VAL 45 -1.022 1.300 8.326 344 HA VAL 45 HA VAL 45 0.750 3.600 8.266 345 HB VAL 45 HB VAL 45 0.208 4.370 10.532 346 1HG1 VAL 45 1HG1 VAL 45 -1.891 5.546 10.045 347 2HG1 VAL 45 2HG1 VAL 45 -2.157 4.476 8.665 348 3HG1 VAL 45 3HG1 VAL 45 -0.775 5.573 8.678 349 1HG2 VAL 45 1HG2 VAL 45 -0.741 2.387 11.491 350 2HG2 VAL 45 2HG2 VAL 45 -2.093 2.430 10.359 351 3HG2 VAL 45 3HG2 VAL 45 -1.933 3.684 11.590 352 HA PRO 46 HA PRO 46 3.262 0.726 10.653 353 1HB PRO 46 2HB PRO 46 4.253 2.872 12.378 354 2HB PRO 46 1HB PRO 46 5.126 1.912 11.180 355 1HG PRO 46 2HG PRO 46 4.586 4.529 10.807 356 2HG PRO 46 1HG PRO 46 4.642 3.372 9.464 357 1HD PRO 46 2HD PRO 46 2.259 4.496 10.897 358 2HD PRO 46 1HD PRO 46 2.507 4.242 9.155 359 H GLY 47 H GLY 47 3.441 -0.273 12.730 360 1HA GLY 47 2HA GLY 47 2.445 0.625 15.149 361 2HA GLY 47 1HA GLY 47 1.071 -0.096 14.318 362 H ASN 48 H ASN 48 0.724 -2.139 14.871 363 HA ASN 48 HA ASN 48 2.978 -3.972 15.029 364 1HB ASN 48 2HB ASN 48 2.656 -3.261 17.359 365 2HB ASN 48 1HB ASN 48 0.952 -3.697 17.264 366 1HD2 ASN 48 1HD2 ASN 48 1.045 -5.229 18.887 367 2HD2 ASN 48 2HD2 ASN 48 1.876 -6.739 18.694 368 H GLY 49 H GLY 49 2.213 -4.878 13.161 369 1HA GLY 49 2HA GLY 49 0.487 -7.068 13.478 370 2HA GLY 49 1HA GLY 49 -0.387 -5.776 12.662 371 H THR 50 H THR 50 0.060 -8.185 11.390 372 HA THR 50 HA THR 50 2.267 -7.649 9.532 373 HB THR 50 HB THR 50 0.566 -10.140 9.604 374 HG1 THR 50 HG1 THR 50 1.446 -10.117 11.618 375 1HG2 THR 50 1HG2 THR 50 1.946 -9.800 7.605 376 2HG2 THR 50 2HG2 THR 50 2.538 -11.158 8.562 377 3HG2 THR 50 3HG2 THR 50 3.376 -9.607 8.619 378 H VAL 51 H VAL 51 1.587 -6.276 7.972 379 HA VAL 51 HA VAL 51 -1.182 -6.320 7.133 380 HB VAL 51 HB VAL 51 1.117 -4.553 6.279 381 1HG1 VAL 51 1HG1 VAL 51 -0.471 -4.797 4.432 382 2HG1 VAL 51 2HG1 VAL 51 -0.561 -3.183 5.135 383 3HG1 VAL 51 3HG1 VAL 51 -1.800 -4.378 5.514 384 1HG2 VAL 51 1HG2 VAL 51 -1.308 -4.059 8.002 385 2HG2 VAL 51 2HG2 VAL 51 -0.145 -2.829 7.507 386 3HG2 VAL 51 3HG2 VAL 51 0.365 -4.157 8.549 387 H HIS 52 H HIS 52 -1.728 -7.897 5.871 388 HA HIS 52 HA HIS 52 -0.092 -9.021 3.837 389 1HB HIS 52 2HB HIS 52 -1.728 -10.518 4.515 390 2HB HIS 52 1HB HIS 52 -2.951 -9.266 4.686 391 HD1 HIS 52 HD1 HIS 52 -1.216 -11.275 1.969 392 HD2 HIS 52 HD2 HIS 52 -4.679 -9.074 2.621 393 HE1 HIS 52 HE1 HIS 52 -2.566 -11.506 -0.139 394 HE2 HIS 52 HE2 HIS 52 -4.444 -9.848 0.152 395 H GLY 53 H GLY 53 0.569 -7.806 2.196 396 1HA GLY 53 2HA GLY 53 -1.413 -6.032 0.926 397 2HA GLY 53 1HA GLY 53 0.274 -5.584 1.123 398 H GLU 54 H GLU 54 -1.434 -5.852 -1.254 399 HA GLU 54 HA GLU 54 0.011 -7.932 -2.739 400 1HB GLU 54 2HB GLU 54 -2.429 -6.322 -3.534 401 2HB GLU 54 1HB GLU 54 -1.699 -7.609 -4.478 402 1HG GLU 54 2HG GLU 54 -3.470 -8.702 -3.519 403 2HG GLU 54 1HG GLU 54 -2.183 -9.065 -2.375 404 H VAL 55 H VAL 55 1.888 -7.125 -3.543 405 HA VAL 55 HA VAL 55 2.089 -4.306 -4.180 406 HB VAL 55 HB VAL 55 4.164 -6.450 -4.667 407 1HG1 VAL 55 1HG1 VAL 55 4.607 -4.432 -5.922 408 2HG1 VAL 55 2HG1 VAL 55 5.745 -4.547 -4.577 409 3HG1 VAL 55 3HG1 VAL 55 4.371 -3.446 -4.478 410 1HG2 VAL 55 1HG2 VAL 55 3.522 -6.388 -2.310 411 2HG2 VAL 55 2HG2 VAL 55 3.815 -4.648 -2.273 412 3HG2 VAL 55 3HG2 VAL 55 5.155 -5.764 -2.545 413 H TYR 56 H TYR 56 1.491 -3.476 -6.031 414 HA TYR 56 HA TYR 56 1.412 -5.218 -8.405 415 1HB TYR 56 2HB TYR 56 -0.540 -3.328 -7.277 416 2HB TYR 56 1HB TYR 56 -0.279 -3.150 -9.008 417 HD1 TYR 56 HD1 TYR 56 -1.084 -4.765 -10.552 418 HD2 TYR 56 HD2 TYR 56 -1.413 -5.477 -6.370 419 HE1 TYR 56 HE1 TYR 56 -2.627 -6.624 -10.998 420 HE2 TYR 56 HE2 TYR 56 -2.953 -7.346 -6.803 421 HH TYR 56 HH TYR 56 -3.478 -8.611 -9.979 422 H ARG 57 H ARG 57 2.071 -4.431 -10.358 423 HA ARG 57 HA ARG 57 3.546 -1.885 -10.305 424 1HB ARG 57 2HB ARG 57 4.991 -3.748 -10.846 425 2HB ARG 57 1HB ARG 57 3.868 -4.317 -12.074 426 1HG ARG 57 2HG ARG 57 4.266 -2.168 -13.301 427 2HG ARG 57 1HG ARG 57 5.548 -1.825 -12.139 428 1HD ARG 57 2HD ARG 57 6.710 -3.855 -12.799 429 2HD ARG 57 1HD ARG 57 5.409 -4.253 -13.920 430 HE ARG 57 HE ARG 57 6.749 -1.695 -14.320 431 1HH1 ARG 57 1HH1 ARG 57 6.362 -5.040 -15.299 432 2HH1 ARG 57 2HH1 ARG 57 7.184 -4.817 -16.820 433 1HH2 ARG 57 1HH2 ARG 57 7.796 -1.407 -16.326 434 2HH2 ARG 57 2HH2 ARG 57 7.973 -2.750 -17.413 435 H ILE 58 H ILE 58 2.892 -0.279 -11.567 436 HA ILE 58 HA ILE 58 1.190 -0.829 -13.869 437 HB ILE 58 HB ILE 58 -0.105 1.340 -13.143 438 1HG1 ILE 58 2HG1 ILE 58 -0.547 1.216 -10.633 439 2HG1 ILE 58 1HG1 ILE 58 0.913 0.245 -10.522 440 1HG2 ILE 58 1HG2 ILE 58 -0.670 -1.367 -11.948 441 2HG2 ILE 58 2HG2 ILE 58 -1.120 -0.826 -13.564 442 3HG2 ILE 58 3HG2 ILE 58 -1.842 -0.065 -12.146 443 1HD1 ILE 58 1HD1 ILE 58 2.233 2.075 -11.375 444 2HD1 ILE 58 2HD1 ILE 58 1.302 2.591 -9.969 445 3HD1 ILE 58 3HD1 ILE 58 0.780 3.051 -11.590 446 H ASP 59 H ASP 59 1.041 1.111 -15.298 447 HA ASP 59 HA ASP 59 3.497 2.202 -15.940 448 1HB ASP 59 2HB ASP 59 1.951 2.380 -17.639 449 2HB ASP 59 1HB ASP 59 0.669 2.926 -16.560 450 H ASN 60 H ASN 60 4.570 4.125 -15.506 451 HA ASN 60 HA ASN 60 4.479 5.116 -12.901 452 1HB ASN 60 2HB ASN 60 5.587 6.407 -15.416 453 2HB ASN 60 1HB ASN 60 5.835 7.054 -13.800 454 1HD2 ASN 60 1HD2 ASN 60 7.799 6.172 -15.698 455 2HD2 ASN 60 2HD2 ASN 60 8.693 4.899 -14.925 456 H ALA 61 H ALA 61 3.144 6.543 -15.896 457 HA ALA 61 HA ALA 61 2.210 8.925 -14.679 458 1HB ALA 61 1HB ALA 61 2.654 8.752 -17.081 459 2HB ALA 61 2HB ALA 61 1.006 9.296 -16.765 460 3HB ALA 61 3HB ALA 61 1.308 7.626 -17.247 461 H THR 62 H THR 62 0.759 5.795 -15.286 462 HA THR 62 HA THR 62 -1.876 6.269 -14.560 463 HB THR 62 HB THR 62 -0.202 3.821 -13.956 464 HG1 THR 62 HG1 THR 62 -0.345 4.578 -16.220 465 1HG2 THR 62 1HG2 THR 62 -2.353 2.618 -14.014 466 2HG2 THR 62 2HG2 THR 62 -3.197 4.157 -14.189 467 3HG2 THR 62 3HG2 THR 62 -2.299 3.805 -12.712 468 H LEU 63 H LEU 63 0.974 5.821 -12.552 469 HA LEU 63 HA LEU 63 -0.385 5.634 -10.068 470 1HB LEU 63 2HB LEU 63 2.092 5.075 -10.736 471 2HB LEU 63 1HB LEU 63 2.382 6.752 -10.321 472 HG LEU 63 HG LEU 63 2.844 5.013 -8.518 473 1HD1 LEU 63 1HD1 LEU 63 0.940 7.244 -7.852 474 2HD1 LEU 63 2HD1 LEU 63 2.691 7.384 -8.017 475 3HD1 LEU 63 3HD1 LEU 63 2.004 6.406 -6.721 476 1HD2 LEU 63 1HD2 LEU 63 0.860 3.655 -8.894 477 2HD2 LEU 63 2HD2 LEU 63 -0.161 4.997 -8.372 478 3HD2 LEU 63 3HD2 LEU 63 0.942 4.234 -7.229 479 H ALA 64 H ALA 64 1.074 8.264 -11.901 480 HA ALA 64 HA ALA 64 0.438 10.350 -10.102 481 1HB ALA 64 1HB ALA 64 2.090 10.633 -11.863 482 2HB ALA 64 2HB ALA 64 0.820 11.847 -12.010 483 3HB ALA 64 3HB ALA 64 0.840 10.452 -13.091 484 H GLU 65 H GLU 65 -1.439 8.578 -12.426 485 HA GLU 65 HA GLU 65 -3.598 10.454 -12.594 486 1HB GLU 65 2HB GLU 65 -3.340 8.748 -14.312 487 2HB GLU 65 1HB GLU 65 -3.523 7.473 -13.115 488 1HG GLU 65 2HG GLU 65 -5.822 8.102 -12.736 489 2HG GLU 65 1HG GLU 65 -5.655 9.480 -13.818 490 H LEU 66 H LEU 66 -3.034 7.501 -10.726 491 HA LEU 66 HA LEU 66 -5.406 7.653 -9.198 492 1HB LEU 66 2HB LEU 66 -3.963 5.625 -9.534 493 2HB LEU 66 1HB LEU 66 -2.795 6.335 -8.440 494 HG LEU 66 HG LEU 66 -5.598 5.929 -7.476 495 1HD1 LEU 66 1HD1 LEU 66 -3.505 3.765 -7.652 496 2HD1 LEU 66 2HD1 LEU 66 -5.026 3.813 -8.543 497 3HD1 LEU 66 3HD1 LEU 66 -5.037 3.652 -6.786 498 1HD2 LEU 66 1HD2 LEU 66 -4.433 5.527 -5.356 499 2HD2 LEU 66 2HD2 LEU 66 -4.003 7.092 -6.049 500 3HD2 LEU 66 3HD2 LEU 66 -2.882 5.735 -6.173 501 H ASP 67 H ASP 67 -2.173 8.948 -8.784 502 HA ASP 67 HA ASP 67 -2.314 9.932 -6.181 503 1HB ASP 67 2HB ASP 67 -0.240 9.986 -7.409 504 2HB ASP 67 1HB ASP 67 -0.937 11.009 -8.652 505 H ALA 68 H ALA 68 -3.060 11.621 -9.209 506 HA ALA 68 HA ALA 68 -3.994 13.978 -8.012 507 1HB ALA 68 1HB ALA 68 -4.742 12.862 -10.709 508 2HB ALA 68 2HB ALA 68 -3.264 13.758 -10.358 509 3HB ALA 68 3HB ALA 68 -4.835 14.548 -10.195 510 H LEU 69 H LEU 69 -5.518 10.916 -8.561 511 HA LEU 69 HA LEU 69 -8.194 11.953 -8.208 512 1HB LEU 69 2HB LEU 69 -7.026 9.259 -8.744 513 2HB LEU 69 1HB LEU 69 -8.681 9.396 -8.188 514 HG LEU 69 HG LEU 69 -7.582 10.702 -10.675 515 1HD1 LEU 69 1HD1 LEU 69 -8.871 9.055 -11.897 516 2HD1 LEU 69 2HD1 LEU 69 -9.403 8.316 -10.387 517 3HD1 LEU 69 3HD1 LEU 69 -7.701 8.251 -10.849 518 1HD2 LEU 69 1HD2 LEU 69 -9.962 11.153 -11.143 519 2HD2 LEU 69 2HD2 LEU 69 -9.385 11.978 -9.694 520 3HD2 LEU 69 3HD2 LEU 69 -10.370 10.524 -9.545 521 H ARG 70 H ARG 70 -6.073 9.721 -6.357 522 HA ARG 70 HA ARG 70 -8.181 9.417 -4.387 523 1HB ARG 70 2HB ARG 70 -6.685 7.515 -5.251 524 2HB ARG 70 1HB ARG 70 -5.446 8.179 -4.196 525 1HG ARG 70 2HG ARG 70 -6.929 7.926 -2.279 526 2HG ARG 70 1HG ARG 70 -8.158 7.244 -3.332 527 1HD ARG 70 2HD ARG 70 -6.694 5.366 -3.856 528 2HD ARG 70 1HD ARG 70 -5.423 6.069 -2.854 529 HE ARG 70 HE ARG 70 -7.997 5.465 -1.606 530 1HH1 ARG 70 1HH1 ARG 70 -4.622 4.667 -2.016 531 2HH1 ARG 70 2HH1 ARG 70 -4.543 3.662 -0.600 532 1HH2 ARG 70 1HH2 ARG 70 -7.911 4.159 0.272 533 2HH2 ARG 70 2HH2 ARG 70 -6.427 3.377 0.709 534 H THR 71 H THR 71 -6.203 11.785 -4.802 535 HA THR 71 HA THR 71 -5.654 13.508 -3.370 536 HB THR 71 HB THR 71 -6.728 11.988 -1.437 537 HG1 THR 71 HG1 THR 71 -6.642 14.203 -1.306 538 1HG2 THR 71 1HG2 THR 71 -3.860 12.227 -0.550 539 2HG2 THR 71 2HG2 THR 71 -4.501 10.743 -1.252 540 3HG2 THR 71 3HG2 THR 71 -5.190 11.374 0.243 541 H ARG 72 H ARG 72 -3.841 14.308 -3.728 542 HA ARG 72 HA ARG 72 -1.443 12.713 -4.039 543 1HB ARG 72 2HB ARG 72 -1.875 14.343 -5.713 544 2HB ARG 72 1HB ARG 72 -2.154 15.601 -4.525 545 1HG ARG 72 2HG ARG 72 0.195 15.602 -3.942 546 2HG ARG 72 1HG ARG 72 0.488 14.278 -5.075 547 1HD ARG 72 2HD ARG 72 0.099 15.609 -6.934 548 2HD ARG 72 1HD ARG 72 -0.782 16.818 -6.003 549 HE ARG 72 HE ARG 72 1.639 17.054 -4.943 550 1HH1 ARG 72 1HH1 ARG 72 0.704 16.690 -8.292 551 2HH1 ARG 72 2HH1 ARG 72 1.943 17.751 -8.895 552 1HH2 ARG 72 1HH2 ARG 72 3.295 18.437 -5.722 553 2HH2 ARG 72 2HH2 ARG 72 3.415 18.753 -7.429 554 H GLY 73 H GLY 73 -2.893 14.824 -1.741 555 1HA GLY 73 2HA GLY 73 -1.133 14.282 0.325 556 2HA GLY 73 1HA GLY 73 -0.538 15.732 -0.468 557 H GLY 74 H GLY 74 -3.831 14.604 0.202 558 1HA GLY 74 2HA GLY 74 -4.223 16.989 1.889 559 2HA GLY 74 1HA GLY 74 -5.355 16.627 0.593 560 H GLU 75 H GLU 75 -5.935 14.104 0.712 561 HA GLU 75 HA GLU 75 -7.302 13.738 3.224 562 1HB GLU 75 2HB GLU 75 -8.025 13.071 0.783 563 2HB GLU 75 1HB GLU 75 -7.074 11.628 1.099 564 1HG GLU 75 2HG GLU 75 -9.257 11.027 1.637 565 2HG GLU 75 1HG GLU 75 -8.496 11.352 3.195 566 H TYR 76 H TYR 76 -4.544 12.409 1.525 567 HA TYR 76 HA TYR 76 -3.606 11.107 3.975 568 1HB TYR 76 2HB TYR 76 -3.545 9.674 1.308 569 2HB TYR 76 1HB TYR 76 -3.077 9.030 2.874 570 HD1 TYR 76 HD1 TYR 76 -5.625 9.202 0.457 571 HD2 TYR 76 HD2 TYR 76 -5.000 8.899 4.653 572 HE1 TYR 76 HE1 TYR 76 -7.886 8.278 0.716 573 HE2 TYR 76 HE2 TYR 76 -7.260 7.977 4.928 574 HH TYR 76 HH TYR 76 -9.387 7.970 3.768 575 H ALA 77 H ALA 77 -1.280 10.433 3.702 576 HA ALA 77 HA ALA 77 0.084 11.977 1.587 577 1HB ALA 77 1HB ALA 77 1.187 11.151 4.271 578 2HB ALA 77 2HB ALA 77 0.642 12.772 3.839 579 3HB ALA 77 3HB ALA 77 2.043 12.066 3.032 580 H ARG 78 H ARG 78 1.898 10.954 0.565 581 HA ARG 78 HA ARG 78 1.531 8.075 0.389 582 1HB ARG 78 2HB ARG 78 2.908 10.120 -1.309 583 2HB ARG 78 1HB ARG 78 3.347 8.424 -1.473 584 1HG ARG 78 2HG ARG 78 0.952 7.911 -1.898 585 2HG ARG 78 1HG ARG 78 0.630 9.645 -1.891 586 1HD ARG 78 2HD ARG 78 2.804 8.669 -3.658 587 2HD ARG 78 1HD ARG 78 1.149 8.285 -4.127 588 HE ARG 78 HE ARG 78 0.701 10.588 -4.388 589 1HH1 ARG 78 1HH1 ARG 78 4.032 9.988 -3.492 590 2HH1 ARG 78 2HH1 ARG 78 4.595 11.510 -4.086 591 1HH2 ARG 78 1HH2 ARG 78 1.416 12.546 -5.196 592 2HH2 ARG 78 2HH2 ARG 78 3.100 12.991 -5.076 593 H GLN 79 H GLN 79 2.766 6.663 1.383 594 HA GLN 79 HA GLN 79 5.396 7.522 2.390 595 1HB GLN 79 2HB GLN 79 3.711 6.533 4.019 596 2HB GLN 79 1HB GLN 79 3.894 5.012 3.154 597 1HG GLN 79 2HG GLN 79 6.357 5.151 3.630 598 2HG GLN 79 1HG GLN 79 6.000 6.510 4.691 599 1HE2 GLN 79 1HE2 GLN 79 3.445 5.276 5.517 600 2HE2 GLN 79 2HE2 GLN 79 3.883 4.031 6.629 601 H LEU 80 H LEU 80 7.116 6.840 1.288 602 HA LEU 80 HA LEU 80 6.741 4.728 -0.688 603 1HB LEU 80 2HB LEU 80 7.844 6.855 -1.333 604 2HB LEU 80 1HB LEU 80 9.140 6.491 -0.207 605 HG LEU 80 HG LEU 80 9.684 4.465 -1.498 606 1HD1 LEU 80 1HD1 LEU 80 8.685 4.153 -3.718 607 2HD1 LEU 80 2HD1 LEU 80 7.570 5.480 -3.398 608 3HD1 LEU 80 3HD1 LEU 80 7.487 4.006 -2.432 609 1HD2 LEU 80 1HD2 LEU 80 9.606 7.003 -3.127 610 2HD2 LEU 80 2HD2 LEU 80 10.648 5.612 -3.430 611 3HD2 LEU 80 3HD2 LEU 80 10.850 6.562 -1.955 612 H ILE 81 H ILE 81 7.113 2.716 -0.119 613 HA ILE 81 HA ILE 81 9.186 2.187 1.905 614 HB ILE 81 HB ILE 81 7.998 0.054 2.361 615 1HG1 ILE 81 2HG1 ILE 81 5.581 1.173 1.007 616 2HG1 ILE 81 1HG1 ILE 81 6.756 0.309 0.035 617 1HG2 ILE 81 1HG2 ILE 81 7.679 1.948 3.821 618 2HG2 ILE 81 2HG2 ILE 81 6.139 1.105 3.625 619 3HG2 ILE 81 3HG2 ILE 81 6.444 2.607 2.749 620 1HD1 ILE 81 1HD1 ILE 81 6.487 -1.656 1.470 621 2HD1 ILE 81 2HD1 ILE 81 4.961 -1.154 0.740 622 3HD1 ILE 81 3HD1 ILE 81 5.296 -0.778 2.430 623 H GLN 82 H GLN 82 10.534 0.389 1.612 624 HA GLN 82 HA GLN 82 11.089 -0.072 -1.215 625 1HB GLN 82 2HB GLN 82 12.903 0.649 0.294 626 2HB GLN 82 1HB GLN 82 12.667 -0.797 1.263 627 1HG GLN 82 2HG GLN 82 14.575 -1.101 -0.146 628 2HG GLN 82 1HG GLN 82 13.284 -2.167 -0.695 629 1HE2 GLN 82 1HE2 GLN 82 12.308 -1.794 -2.659 630 2HE2 GLN 82 2HE2 GLN 82 12.945 -0.693 -3.825 631 H THR 83 H THR 83 9.948 -1.739 -2.081 632 HA THR 83 HA THR 83 9.725 -4.193 -0.476 633 HB THR 83 HB THR 83 7.928 -4.851 -1.784 634 HG1 THR 83 HG1 THR 83 8.578 -3.060 -3.894 635 1HG2 THR 83 1HG2 THR 83 6.495 -2.898 -2.212 636 2HG2 THR 83 2HG2 THR 83 7.901 -1.844 -2.044 637 3HG2 THR 83 3HG2 THR 83 7.325 -2.773 -0.659 638 HA PRO 84 HA PRO 84 12.807 -6.403 -2.818 639 1HB PRO 84 2HB PRO 84 11.460 -8.692 -3.564 640 2HB PRO 84 1HB PRO 84 12.200 -8.437 -1.981 641 1HG PRO 84 2HG PRO 84 9.344 -8.131 -2.807 642 2HG PRO 84 1HG PRO 84 10.014 -8.809 -1.311 643 1HD PRO 84 2HD PRO 84 8.982 -6.335 -1.394 644 2HD PRO 84 1HD PRO 84 10.392 -6.719 -0.386 645 H TYR 85 H TYR 85 9.774 -5.586 -4.191 646 HA TYR 85 HA TYR 85 10.615 -6.275 -6.914 647 1HB TYR 85 2HB TYR 85 7.975 -5.046 -6.130 648 2HB TYR 85 1HB TYR 85 8.353 -6.006 -7.555 649 HD1 TYR 85 HD1 TYR 85 7.222 -6.060 -4.133 650 HD2 TYR 85 HD2 TYR 85 8.734 -8.485 -7.285 651 HE1 TYR 85 HE1 TYR 85 6.396 -8.066 -2.978 652 HE2 TYR 85 HE2 TYR 85 7.910 -10.497 -6.137 653 HH TYR 85 HH TYR 85 5.801 -10.318 -3.394 654 H GLY 86 H GLY 86 11.000 -3.816 -4.814 655 1HA GLY 86 2HA GLY 86 12.096 -1.790 -5.750 656 2HA GLY 86 1HA GLY 86 10.743 -1.716 -6.874 657 H SER 87 H SER 87 11.456 0.404 -5.147 658 HA SER 87 HA SER 87 9.946 0.443 -2.779 659 1HB SER 87 2HB SER 87 10.893 2.679 -4.556 660 2HB SER 87 1HB SER 87 10.217 2.918 -2.951 661 HG SER 87 HG SER 87 12.185 2.633 -2.285 662 H ALA 88 H ALA 88 7.836 0.543 -2.465 663 HA ALA 88 HA ALA 88 6.116 1.276 -4.744 664 1HB ALA 88 1HB ALA 88 4.406 -0.155 -3.721 665 2HB ALA 88 2HB ALA 88 5.538 -0.571 -2.432 666 3HB ALA 88 3HB ALA 88 5.879 -1.049 -4.095 667 H TRP 89 H TRP 89 4.295 2.539 -4.376 668 HA TRP 89 HA TRP 89 4.610 4.419 -2.201 669 1HB TRP 89 2HB TRP 89 2.665 4.337 -4.516 670 2HB TRP 89 1HB TRP 89 2.767 5.645 -3.350 671 HD1 TRP 89 HD1 TRP 89 4.270 4.419 -6.526 672 HE1 TRP 89 HE1 TRP 89 6.131 6.022 -7.261 673 HE3 TRP 89 HE3 TRP 89 4.687 7.198 -2.264 674 HZ2 TRP 89 HZ2 TRP 89 7.598 8.184 -6.187 675 HZ3 TRP 89 HZ3 TRP 89 6.341 9.018 -2.194 676 HH2 TRP 89 HH2 TRP 89 7.768 9.501 -4.116 677 H MET 90 H MET 90 3.605 4.224 -0.320 678 HA MET 90 HA MET 90 1.031 2.801 -0.196 679 1HB MET 90 2HB MET 90 3.013 3.548 1.955 680 2HB MET 90 1HB MET 90 1.420 2.888 2.294 681 1HG MET 90 2HG MET 90 2.039 0.867 1.013 682 2HG MET 90 1HG MET 90 3.660 1.534 0.820 683 1HE MET 90 1HE MET 90 0.990 0.193 3.369 684 2HE MET 90 2HE MET 90 1.312 1.820 3.968 685 3HE MET 90 3HE MET 90 1.824 0.417 4.906 686 H TYR 91 H TYR 91 -0.506 3.790 1.496 687 HA TYR 91 HA TYR 91 -0.368 6.722 1.410 688 1HB TYR 91 2HB TYR 91 -2.744 4.963 0.804 689 2HB TYR 91 1HB TYR 91 -2.920 6.657 1.254 690 HD1 TYR 91 HD1 TYR 91 -1.537 4.368 -1.302 691 HD2 TYR 91 HD2 TYR 91 -2.489 8.393 -0.310 692 HE1 TYR 91 HE1 TYR 91 -1.147 5.028 -3.637 693 HE2 TYR 91 HE2 TYR 91 -2.104 9.065 -2.643 694 HH TYR 91 HH TYR 91 -1.836 6.869 -5.180 695 H VAL 92 H VAL 92 -0.300 7.549 3.369 696 HA VAL 92 HA VAL 92 -1.273 5.906 5.602 697 HB VAL 92 HB VAL 92 0.889 7.975 5.389 698 1HG1 VAL 92 1HG1 VAL 92 -0.450 7.155 7.974 699 2HG1 VAL 92 2HG1 VAL 92 -0.471 8.768 7.259 700 3HG1 VAL 92 3HG1 VAL 92 1.046 8.080 7.839 701 1HG2 VAL 92 1HG2 VAL 92 2.146 6.284 6.618 702 2HG2 VAL 92 2HG2 VAL 92 1.430 5.612 5.153 703 3HG2 VAL 92 3HG2 VAL 92 0.697 5.283 6.728 704 H TYR 93 H TYR 93 -2.737 6.502 6.905 705 HA TYR 93 HA TYR 93 -4.657 8.387 6.365 706 1HB TYR 93 2HB TYR 93 -5.613 7.350 8.105 707 2HB TYR 93 1HB TYR 93 -4.159 6.407 8.242 708 HD1 TYR 93 HD1 TYR 93 -5.838 9.438 9.586 709 HD2 TYR 93 HD2 TYR 93 -2.743 6.567 10.102 710 HE1 TYR 93 HE1 TYR 93 -5.437 10.283 11.860 711 HE2 TYR 93 HE2 TYR 93 -2.337 7.400 12.376 712 HH TYR 93 HH TYR 93 -4.464 9.390 14.014 713 H GLN 94 H GLN 94 -4.610 10.544 6.391 714 HA GLN 94 HA GLN 94 -2.563 11.834 8.063 715 1HB GLN 94 2HB GLN 94 -2.570 11.868 5.382 716 2HB GLN 94 1HB GLN 94 -3.617 13.251 5.675 717 1HG GLN 94 2HG GLN 94 -1.507 14.188 5.531 718 2HG GLN 94 1HG GLN 94 -1.782 14.055 7.261 719 1HE2 GLN 94 1HE2 GLN 94 -1.322 11.024 6.938 720 2HE2 GLN 94 2HE2 GLN 94 0.400 10.901 6.923 721 H ARG 95 H ARG 95 -5.750 11.287 7.913 722 HA ARG 95 HA ARG 95 -6.367 13.789 9.315 723 1HB ARG 95 2HB ARG 95 -8.249 12.403 7.388 724 2HB ARG 95 1HB ARG 95 -8.579 13.875 8.292 725 1HG ARG 95 2HG ARG 95 -6.720 14.976 7.067 726 2HG ARG 95 1HG ARG 95 -6.561 13.518 6.087 727 1HD ARG 95 2HD ARG 95 -7.884 14.984 4.817 728 2HD ARG 95 1HD ARG 95 -9.006 13.813 5.506 729 HE ARG 95 HE ARG 95 -8.665 16.278 7.007 730 1HH1 ARG 95 1HH1 ARG 95 -10.537 14.491 4.639 731 2HH1 ARG 95 2HH1 ARG 95 -11.942 15.510 4.808 732 1HH2 ARG 95 1HH2 ARG 95 -10.512 17.620 7.218 733 2HH2 ARG 95 2HH2 ARG 95 -11.924 17.285 6.256 734 HA PRO 96 HA PRO 96 -7.577 11.598 12.857 735 1HB PRO 96 2HB PRO 96 -10.305 12.483 12.909 736 2HB PRO 96 1HB PRO 96 -8.948 13.059 13.874 737 1HG PRO 96 2HG PRO 96 -10.106 14.178 11.405 738 2HG PRO 96 1HG PRO 96 -9.187 14.989 12.684 739 1HD PRO 96 2HD PRO 96 -8.123 14.534 10.265 740 2HD PRO 96 1HD PRO 96 -7.142 14.415 11.743 741 H VAL 97 H VAL 97 -7.872 9.500 12.907 742 HA VAL 97 HA VAL 97 -10.087 8.281 11.414 743 HB VAL 97 HB VAL 97 -8.888 6.117 11.903 744 1HG1 VAL 97 1HG1 VAL 97 -8.699 7.146 9.736 745 2HG1 VAL 97 2HG1 VAL 97 -7.129 6.487 10.205 746 3HG1 VAL 97 3HG1 VAL 97 -7.429 8.223 10.316 747 1HG2 VAL 97 1HG2 VAL 97 -7.590 6.851 13.824 748 2HG2 VAL 97 2HG2 VAL 97 -6.702 7.990 12.812 749 3HG2 VAL 97 3HG2 VAL 97 -6.521 6.254 12.554 750 H ASP 98 H ASP 98 -9.927 9.634 14.209 751 HA ASP 98 HA ASP 98 -10.423 7.708 16.175 752 1HB ASP 98 2HB ASP 98 -11.252 10.599 15.941 753 2HB ASP 98 1HB ASP 98 -11.624 9.619 17.350 754 H GLY 99 H GLY 99 -11.849 6.132 15.611 755 1HA GLY 99 2HA GLY 99 -14.305 5.800 16.154 756 2HA GLY 99 1HA GLY 99 -14.576 6.989 14.889 757 H LEU 100 H LEU 100 -12.035 5.512 13.681 758 HA LEU 100 HA LEU 100 -13.641 3.679 12.087 759 1HB LEU 100 2HB LEU 100 -10.744 4.486 11.829 760 2HB LEU 100 1HB LEU 100 -11.625 3.493 10.684 761 HG LEU 100 HG LEU 100 -12.194 6.392 11.314 762 1HD1 LEU 100 1HD1 LEU 100 -11.397 6.821 9.066 763 2HD1 LEU 100 2HD1 LEU 100 -11.068 5.104 8.829 764 3HD1 LEU 100 3HD1 LEU 100 -10.140 6.027 10.015 765 1HD2 LEU 100 1HD2 LEU 100 -13.804 6.261 9.492 766 2HD2 LEU 100 2HD2 LEU 100 -14.221 5.136 10.786 767 3HD2 LEU 100 3HD2 LEU 100 -13.465 4.539 9.308 768 H LYS 101 H LYS 101 -12.663 1.539 11.536 769 HA LYS 101 HA LYS 101 -11.816 0.243 14.002 770 1HB LYS 101 2HB LYS 101 -12.746 -0.847 11.346 771 2HB LYS 101 1HB LYS 101 -12.145 -1.871 12.643 772 1HG LYS 101 2HG LYS 101 -14.550 -0.063 12.769 773 2HG LYS 101 1HG LYS 101 -14.563 -1.823 12.650 774 1HD LYS 101 2HD LYS 101 -13.449 -0.202 14.941 775 2HD LYS 101 1HD LYS 101 -14.970 -1.097 14.948 776 1HE LYS 101 2HE LYS 101 -13.747 -3.190 14.642 777 2HE LYS 101 1HE LYS 101 -12.223 -2.303 14.595 778 1HZ LYS 101 1HZ LYS 101 -12.694 -1.536 16.873 779 2HZ LYS 101 2HZ LYS 101 -12.542 -3.216 16.771 780 3HZ LYS 101 3HZ LYS 101 -14.079 -2.514 16.907 781 H LEU 102 H LEU 102 -9.868 -0.541 14.377 782 HA LEU 102 HA LEU 102 -7.838 -0.200 12.278 783 1HB LEU 102 2HB LEU 102 -7.490 1.117 14.300 784 2HB LEU 102 1HB LEU 102 -7.588 -0.329 15.286 785 HG LEU 102 HG LEU 102 -5.517 -1.168 14.220 786 1HD1 LEU 102 1HD1 LEU 102 -4.166 0.462 12.926 787 2HD1 LEU 102 2HD1 LEU 102 -5.586 1.506 12.843 788 3HD1 LEU 102 3HD1 LEU 102 -5.618 -0.091 12.092 789 1HD2 LEU 102 1HD2 LEU 102 -5.407 0.071 16.322 790 2HD2 LEU 102 2HD2 LEU 102 -5.287 1.586 15.427 791 3HD2 LEU 102 3HD2 LEU 102 -3.994 0.392 15.318 792 H ILE 103 H ILE 103 -7.519 -2.075 11.232 793 HA ILE 103 HA ILE 103 -7.782 -4.608 12.591 794 HB ILE 103 HB ILE 103 -6.842 -4.060 9.768 795 1HG1 ILE 103 2HG1 ILE 103 -9.576 -4.852 10.798 796 2HG1 ILE 103 1HG1 ILE 103 -9.146 -3.291 10.102 797 1HG2 ILE 103 1HG2 ILE 103 -6.105 -6.224 10.631 798 2HG2 ILE 103 2HG2 ILE 103 -7.329 -6.427 9.377 799 3HG2 ILE 103 3HG2 ILE 103 -7.766 -6.619 11.074 800 1HD1 ILE 103 1HD1 ILE 103 -10.340 -4.679 8.506 801 2HD1 ILE 103 2HD1 ILE 103 -9.115 -5.936 8.662 802 3HD1 ILE 103 3HD1 ILE 103 -8.689 -4.374 7.963 803 H GLU 104 H GLU 104 -6.191 -4.473 14.127 804 HA GLU 104 HA GLU 104 -3.459 -3.973 13.582 805 1HB GLU 104 2HB GLU 104 -4.743 -5.526 15.839 806 2HB GLU 104 1HB GLU 104 -3.077 -4.959 15.807 807 1HG GLU 104 2HG GLU 104 -3.782 -2.674 15.829 808 2HG GLU 104 1HG GLU 104 -5.469 -3.144 15.634 809 H SER 105 H SER 105 -5.467 -6.515 12.766 810 HA SER 105 HA SER 105 -3.602 -8.670 12.822 811 1HB SER 105 2HB SER 105 -5.965 -8.358 10.960 812 2HB SER 105 1HB SER 105 -5.207 -9.858 11.492 813 HG SER 105 HG SER 105 -7.224 -9.230 12.579 814 H GLY 106 H GLY 106 -4.254 -6.023 10.676 815 1HA GLY 106 2HA GLY 106 -2.816 -5.165 9.066 816 2HA GLY 106 1HA GLY 106 -1.852 -6.628 9.175 817 H ASP 107 H ASP 107 -4.696 -7.970 8.817 818 HA ASP 107 HA ASP 107 -4.401 -8.078 5.900 819 1HB ASP 107 2HB ASP 107 -4.383 -10.157 7.501 820 2HB ASP 107 1HB ASP 107 -6.126 -9.950 7.474 821 H TRP 108 H TRP 108 -6.087 -7.626 4.536 822 HA TRP 108 HA TRP 108 -8.208 -5.991 5.493 823 1HB TRP 108 2HB TRP 108 -7.293 -5.654 3.258 824 2HB TRP 108 1HB TRP 108 -7.767 -7.282 2.788 825 HD1 TRP 108 HD1 TRP 108 -10.007 -7.461 1.561 826 HE1 TRP 108 HE1 TRP 108 -12.074 -5.940 1.253 827 HE3 TRP 108 HE3 TRP 108 -8.708 -3.664 4.731 828 HZ2 TRP 108 HZ2 TRP 108 -13.014 -3.467 2.233 829 HZ3 TRP 108 HZ3 TRP 108 -10.244 -1.764 4.993 830 HH2 TRP 108 HH2 TRP 108 -12.355 -1.669 3.769 831 H LEU 109 H LEU 109 -7.842 -9.374 4.754 832 HA LEU 109 HA LEU 109 -10.684 -9.884 4.807 833 1HB LEU 109 2HB LEU 109 -8.305 -11.743 4.718 834 2HB LEU 109 1HB LEU 109 -9.970 -12.291 4.712 835 HG LEU 109 HG LEU 109 -9.284 -12.369 2.464 836 1HD1 LEU 109 1HD1 LEU 109 -11.479 -11.379 2.740 837 2HD1 LEU 109 2HD1 LEU 109 -10.658 -10.706 1.331 838 3HD1 LEU 109 3HD1 LEU 109 -10.759 -9.772 2.824 839 1HD2 LEU 109 1HD2 LEU 109 -8.199 -9.574 2.741 840 2HD2 LEU 109 2HD2 LEU 109 -8.193 -10.554 1.274 841 3HD2 LEU 109 3HD2 LEU 109 -7.240 -11.052 2.674 842 H ASP 110 H ASP 110 -7.925 -10.214 6.930 843 HA ASP 110 HA ASP 110 -7.685 -10.451 9.161 844 1HB ASP 110 2HB ASP 110 -9.054 -8.495 9.356 845 2HB ASP 110 1HB ASP 110 -10.527 -9.439 9.152 846 H ARG 111 H ARG 111 -11.093 -11.334 9.187 847 HA ARG 111 HA ARG 111 -10.707 -13.753 10.584 848 1HB ARG 111 2HB ARG 111 -13.085 -14.239 9.602 849 2HB ARG 111 1HB ARG 111 -12.881 -12.954 10.783 850 1HG ARG 111 2HG ARG 111 -12.626 -12.205 7.931 851 2HG ARG 111 1HG ARG 111 -14.239 -12.632 8.516 852 1HD ARG 111 2HD ARG 111 -14.273 -10.875 10.052 853 2HD ARG 111 1HD ARG 111 -12.519 -10.691 10.024 854 HE ARG 111 HE ARG 111 -13.656 -10.151 7.476 855 1HH1 ARG 111 1HH1 ARG 111 -13.293 -8.743 10.668 856 2HH1 ARG 111 2HH1 ARG 111 -13.238 -7.114 10.068 857 1HH2 ARG 111 1HH2 ARG 111 -13.560 -7.993 6.706 858 2HH2 ARG 111 2HH2 ARG 111 -13.384 -6.690 7.840 859 H ASP 112 H ASP 112 -10.900 -12.912 7.210 860 HA ASP 112 HA ASP 112 -10.187 -13.893 5.316 861 1HB ASP 112 2HB ASP 112 -8.133 -14.022 6.788 862 2HB ASP 112 1HB ASP 112 -8.558 -15.701 7.072 863 H LYS 113 H LYS 113 -12.033 -14.826 4.561 864 HA LYS 113 HA LYS 113 -12.373 -17.691 5.126 865 1HB LYS 113 2HB LYS 113 -14.541 -17.421 3.948 866 2HB LYS 113 1HB LYS 113 -14.399 -16.518 5.443 867 1HG LYS 113 2HG LYS 113 -13.834 -14.506 4.030 868 2HG LYS 113 1HG LYS 113 -14.310 -15.470 2.628 869 1HD LYS 113 2HD LYS 113 -16.528 -15.781 3.569 870 2HD LYS 113 1HD LYS 113 -16.060 -14.889 5.017 871 1HE LYS 113 2HE LYS 113 -15.623 -12.905 3.563 872 2HE LYS 113 1HE LYS 113 -16.282 -13.817 2.204 873 1HZ LYS 113 1HZ LYS 113 -18.023 -12.495 3.052 874 2HZ LYS 113 2HZ LYS 113 -17.700 -12.939 4.657 875 3HZ LYS 113 3HZ LYS 113 -18.348 -14.077 3.579 Start of MODEL 6 1 1H MET 1 1HT MET 1 5.631 4.015 -13.271 2 2H MET 1 2HT MET 1 4.113 3.536 -12.686 3 3H MET 1 3HT MET 1 5.268 2.371 -13.090 4 HA MET 1 HA MET 1 6.713 3.222 -11.350 5 1HB MET 1 2HB MET 1 5.375 5.468 -11.429 6 2HB MET 1 1HB MET 1 4.337 4.674 -10.253 7 1HG MET 1 2HG MET 1 6.136 4.443 -8.710 8 2HG MET 1 1HG MET 1 7.307 4.973 -9.917 9 1HE MET 1 1HE MET 1 6.246 8.740 -10.393 10 2HE MET 1 2HE MET 1 5.624 7.356 -11.293 11 3HE MET 1 3HE MET 1 7.345 7.468 -10.924 12 H ARG 2 H ARG 2 6.202 2.530 -8.919 13 HA ARG 2 HA ARG 2 4.318 0.289 -9.099 14 1HB ARG 2 2HB ARG 2 5.871 -0.877 -7.508 15 2HB ARG 2 1HB ARG 2 6.491 -0.652 -9.129 16 1HG ARG 2 2HG ARG 2 7.151 1.302 -6.972 17 2HG ARG 2 1HG ARG 2 8.013 -0.231 -7.087 18 1HD ARG 2 2HD ARG 2 8.931 0.294 -9.157 19 2HD ARG 2 1HD ARG 2 7.727 1.541 -9.482 20 HE ARG 2 HE ARG 2 9.211 2.291 -7.223 21 1HH1 ARG 2 1HH1 ARG 2 9.750 1.745 -10.634 22 2HH1 ARG 2 2HH1 ARG 2 10.865 3.066 -10.814 23 1HH2 ARG 2 1HH2 ARG 2 10.705 4.012 -7.426 24 2HH2 ARG 2 2HH2 ARG 2 11.444 4.330 -8.964 25 H ILE 3 H ILE 3 3.140 -0.273 -7.280 26 HA ILE 3 HA ILE 3 3.186 1.616 -5.042 27 HB ILE 3 HB ILE 3 1.612 2.585 -6.606 28 1HG1 ILE 3 2HG1 ILE 3 0.164 1.213 -4.327 29 2HG1 ILE 3 1HG1 ILE 3 1.050 2.729 -4.218 30 1HG2 ILE 3 1HG2 ILE 3 -0.422 1.363 -7.307 31 2HG2 ILE 3 2HG2 ILE 3 0.245 -0.102 -6.586 32 3HG2 ILE 3 3HG2 ILE 3 1.066 0.663 -7.946 33 1HD1 ILE 3 1HD1 ILE 3 -1.434 2.239 -5.840 34 2HD1 ILE 3 2HD1 ILE 3 -0.540 3.756 -5.770 35 3HD1 ILE 3 3HD1 ILE 3 -1.330 3.130 -4.323 36 H PHE 4 H PHE 4 2.181 0.845 -3.136 37 HA PHE 4 HA PHE 4 1.960 -2.073 -3.034 38 1HB PHE 4 2HB PHE 4 3.520 -0.952 -1.466 39 2HB PHE 4 1HB PHE 4 2.173 -0.045 -0.791 40 HD1 PHE 4 HD1 PHE 4 3.573 -3.431 -1.206 41 HD2 PHE 4 HD2 PHE 4 0.810 -0.965 0.879 42 HE1 PHE 4 HE1 PHE 4 3.184 -5.242 0.408 43 HE2 PHE 4 HE2 PHE 4 0.413 -2.771 2.502 44 HZ PHE 4 HZ PHE 4 1.602 -4.914 2.268 45 H VAL 5 H VAL 5 -0.011 -2.893 -3.181 46 HA VAL 5 HA VAL 5 -2.322 -1.286 -2.330 47 HB VAL 5 HB VAL 5 -2.355 -3.841 -3.953 48 1HG1 VAL 5 1HG1 VAL 5 -4.473 -3.258 -2.900 49 2HG1 VAL 5 2HG1 VAL 5 -4.567 -3.081 -4.653 50 3HG1 VAL 5 3HG1 VAL 5 -4.405 -1.654 -3.628 51 1HG2 VAL 5 1HG2 VAL 5 -2.576 -2.441 -5.947 52 2HG2 VAL 5 2HG2 VAL 5 -1.031 -2.178 -5.140 53 3HG2 VAL 5 3HG2 VAL 5 -2.331 -0.999 -4.963 54 H TYR 6 H TYR 6 -4.041 -2.450 -1.134 55 HA TYR 6 HA TYR 6 -3.294 -4.914 0.172 56 1HB TYR 6 2HB TYR 6 -3.867 -3.709 2.456 57 2HB TYR 6 1HB TYR 6 -2.230 -3.721 1.819 58 HD1 TYR 6 HD1 TYR 6 -1.279 -1.683 0.811 59 HD2 TYR 6 HD2 TYR 6 -5.131 -1.661 2.619 60 HE1 TYR 6 HE1 TYR 6 -1.211 0.768 0.904 61 HE2 TYR 6 HE2 TYR 6 -5.072 0.797 2.714 62 HH TYR 6 HH TYR 6 -3.181 2.596 2.770 63 H GLY 7 H GLY 7 -5.028 -6.127 0.096 64 1HA GLY 7 2HA GLY 7 -7.174 -6.807 0.632 65 2HA GLY 7 1HA GLY 7 -7.525 -5.177 1.192 66 H SER 8 H SER 8 -8.145 -3.589 -0.330 67 HA SER 8 HA SER 8 -9.695 -4.617 -2.512 68 1HB SER 8 2HB SER 8 -9.096 -1.768 -1.690 69 2HB SER 8 1HB SER 8 -10.262 -2.235 -2.928 70 HG SER 8 HG SER 8 -10.550 -3.508 -0.492 71 H LEU 9 H LEU 9 -7.982 -5.622 -3.716 72 HA LEU 9 HA LEU 9 -5.930 -4.022 -4.905 73 1HB LEU 9 2HB LEU 9 -5.180 -5.978 -5.990 74 2HB LEU 9 1HB LEU 9 -5.709 -6.470 -4.395 75 HG LEU 9 HG LEU 9 -7.419 -6.802 -6.861 76 1HD1 LEU 9 1HD1 LEU 9 -5.568 -8.803 -5.574 77 2HD1 LEU 9 2HD1 LEU 9 -5.335 -8.035 -7.143 78 3HD1 LEU 9 3HD1 LEU 9 -6.696 -9.127 -6.890 79 1HD2 LEU 9 1HD2 LEU 9 -8.540 -8.510 -5.461 80 2HD2 LEU 9 2HD2 LEU 9 -8.685 -6.881 -4.807 81 3HD2 LEU 9 3HD2 LEU 9 -7.535 -8.015 -4.098 82 H ARG 10 H ARG 10 -9.189 -4.760 -5.710 83 HA ARG 10 HA ARG 10 -8.877 -4.275 -8.539 84 1HB ARG 10 2HB ARG 10 -11.318 -4.570 -6.792 85 2HB ARG 10 1HB ARG 10 -11.405 -4.258 -8.519 86 1HG ARG 10 2HG ARG 10 -10.173 -6.355 -8.926 87 2HG ARG 10 1HG ARG 10 -10.189 -6.667 -7.188 88 1HD ARG 10 2HD ARG 10 -12.633 -6.315 -8.919 89 2HD ARG 10 1HD ARG 10 -11.983 -7.861 -8.377 90 HE ARG 10 HE ARG 10 -12.377 -6.914 -6.045 91 1HH1 ARG 10 1HH1 ARG 10 -14.356 -6.115 -8.820 92 2HH1 ARG 10 2HH1 ARG 10 -15.772 -5.787 -7.879 93 1HH2 ARG 10 1HH2 ARG 10 -14.245 -6.487 -4.798 94 2HH2 ARG 10 2HH2 ARG 10 -15.716 -5.998 -5.588 95 H HIS 11 H HIS 11 -10.434 -2.522 -5.854 96 HA HIS 11 HA HIS 11 -11.519 -0.520 -5.838 97 1HB HIS 11 2HB HIS 11 -10.013 1.431 -6.212 98 2HB HIS 11 1HB HIS 11 -9.357 0.212 -5.134 99 HD1 HIS 11 HD1 HIS 11 -8.817 1.803 -8.476 100 HD2 HIS 11 HD2 HIS 11 -7.023 -1.049 -6.048 101 HE1 HIS 11 HE1 HIS 11 -6.540 1.417 -9.463 102 HE2 HIS 11 HE2 HIS 11 -5.595 -0.498 -8.130 103 H LYS 12 H LYS 12 -13.064 -1.053 -7.358 104 HA LYS 12 HA LYS 12 -14.296 -0.936 -9.236 105 1HB LYS 12 2HB LYS 12 -13.913 1.509 -9.141 106 2HB LYS 12 1HB LYS 12 -12.457 1.297 -10.105 107 1HG LYS 12 2HG LYS 12 -13.864 0.347 -11.920 108 2HG LYS 12 1HG LYS 12 -15.290 0.731 -10.957 109 1HD LYS 12 2HD LYS 12 -13.244 2.741 -11.888 110 2HD LYS 12 1HD LYS 12 -14.785 2.428 -12.687 111 1HE LYS 12 2HE LYS 12 -15.969 3.091 -10.645 112 2HE LYS 12 1HE LYS 12 -14.424 3.421 -9.862 113 1HZ LYS 12 1HZ LYS 12 -13.991 5.091 -11.588 114 2HZ LYS 12 2HZ LYS 12 -15.371 5.453 -10.679 115 3HZ LYS 12 3HZ LYS 12 -15.532 4.816 -12.241 116 H GLN 13 H GLN 13 -11.552 0.130 -11.059 117 HA GLN 13 HA GLN 13 -10.374 -0.809 -12.704 118 1HB GLN 13 2HB GLN 13 -9.405 -2.238 -11.089 119 2HB GLN 13 1HB GLN 13 -10.828 -3.256 -11.032 120 1HG GLN 13 2HG GLN 13 -9.158 -3.013 -13.508 121 2HG GLN 13 1HG GLN 13 -8.740 -4.129 -12.212 122 1HE2 GLN 13 1HE2 GLN 13 -11.583 -4.637 -11.604 123 2HE2 GLN 13 2HE2 GLN 13 -12.153 -5.658 -12.861 124 H GLY 14 H GLY 14 -10.631 -1.616 -14.776 125 1HA GLY 14 2HA GLY 14 -12.091 -3.267 -16.080 126 2HA GLY 14 1HA GLY 14 -13.418 -2.343 -15.393 127 H ASN 15 H ASN 15 -11.465 0.041 -15.675 128 HA ASN 15 HA ASN 15 -11.413 0.376 -18.552 129 1HB ASN 15 2HB ASN 15 -12.566 2.631 -18.370 130 2HB ASN 15 1HB ASN 15 -13.593 1.213 -18.244 131 1HD2 ASN 15 1HD2 ASN 15 -15.186 2.379 -17.217 132 2HD2 ASN 15 2HD2 ASN 15 -15.059 2.869 -15.563 133 H SER 16 H SER 16 -10.571 1.527 -15.359 134 HA SER 16 HA SER 16 -8.725 3.499 -16.104 135 1HB SER 16 2HB SER 16 -8.301 1.677 -13.746 136 2HB SER 16 1HB SER 16 -7.996 3.410 -13.881 137 HG SER 16 HG SER 16 -10.093 3.828 -13.587 138 H HIS 17 H HIS 17 -6.326 3.288 -15.913 139 HA HIS 17 HA HIS 17 -5.300 1.433 -17.754 140 1HB HIS 17 2HB HIS 17 -3.826 2.994 -15.621 141 2HB HIS 17 1HB HIS 17 -3.071 2.180 -16.982 142 HD1 HIS 17 HD1 HIS 17 -4.944 5.267 -16.043 143 HD2 HIS 17 HD2 HIS 17 -3.364 3.476 -19.461 144 HE1 HIS 17 HE1 HIS 17 -4.944 7.052 -17.817 145 HE2 HIS 17 HE2 HIS 17 -3.742 6.015 -19.778 146 H TRP 18 H TRP 18 -6.040 1.121 -14.471 147 HA TRP 18 HA TRP 18 -4.148 -0.657 -13.483 148 1HB TRP 18 2HB TRP 18 -5.955 0.633 -12.242 149 2HB TRP 18 1HB TRP 18 -7.071 -0.638 -12.732 150 HD1 TRP 18 HD1 TRP 18 -7.222 -2.674 -11.157 151 HE1 TRP 18 HE1 TRP 18 -5.882 -3.520 -9.123 152 HE3 TRP 18 HE3 TRP 18 -3.326 0.631 -11.326 153 HZ2 TRP 18 HZ2 TRP 18 -3.481 -2.868 -7.779 154 HZ3 TRP 18 HZ3 TRP 18 -1.550 0.451 -9.635 155 HH2 TRP 18 HH2 TRP 18 -1.626 -1.262 -7.900 156 H MET 19 H MET 19 -6.854 -1.236 -15.613 157 HA MET 19 HA MET 19 -6.905 -4.079 -15.114 158 1HB MET 19 2HB MET 19 -8.959 -2.896 -15.727 159 2HB MET 19 1HB MET 19 -8.246 -2.430 -17.266 160 1HG MET 19 2HG MET 19 -8.072 -4.830 -17.857 161 2HG MET 19 1HG MET 19 -8.916 -5.223 -16.360 162 1HE MET 19 1HE MET 19 -10.771 -2.872 -19.866 163 2HE MET 19 2HE MET 19 -9.149 -3.566 -19.890 164 3HE MET 19 3HE MET 19 -9.513 -2.208 -18.824 165 H THR 20 H THR 20 -5.384 -1.921 -17.396 166 HA THR 20 HA THR 20 -4.911 -4.075 -19.289 167 HB THR 20 HB THR 20 -4.158 -1.159 -19.530 168 HG1 THR 20 HG1 THR 20 -6.495 -2.589 -20.361 169 1HG2 THR 20 1HG2 THR 20 -2.948 -2.673 -21.055 170 2HG2 THR 20 2HG2 THR 20 -4.066 -1.624 -21.927 171 3HG2 THR 20 3HG2 THR 20 -4.490 -3.309 -21.631 172 H ASN 21 H ASN 21 -2.941 -1.691 -17.480 173 HA ASN 21 HA ASN 21 -0.551 -3.044 -18.503 174 1HB ASN 21 2HB ASN 21 -0.884 -0.339 -17.199 175 2HB ASN 21 1HB ASN 21 0.651 -1.002 -17.745 176 1HD2 ASN 21 1HD2 ASN 21 -0.742 1.411 -18.591 177 2HD2 ASN 21 2HD2 ASN 21 -0.985 1.242 -20.300 178 H ALA 22 H ALA 22 -2.348 -3.617 -15.968 179 HA ALA 22 HA ALA 22 -0.637 -3.280 -13.735 180 1HB ALA 22 1HB ALA 22 -2.866 -5.278 -14.095 181 2HB ALA 22 2HB ALA 22 -3.057 -3.623 -13.516 182 3HB ALA 22 3HB ALA 22 -2.131 -4.788 -12.569 183 H GLN 23 H GLN 23 1.230 -4.179 -13.472 184 HA GLN 23 HA GLN 23 1.624 -6.977 -14.284 185 1HB GLN 23 2HB GLN 23 3.271 -5.333 -15.164 186 2HB GLN 23 1HB GLN 23 3.682 -4.892 -13.513 187 1HG GLN 23 2HG GLN 23 4.406 -7.237 -13.133 188 2HG GLN 23 1HG GLN 23 4.131 -7.552 -14.845 189 1HE2 GLN 23 1HE2 GLN 23 6.593 -7.747 -13.345 190 2HE2 GLN 23 2HE2 GLN 23 7.707 -6.653 -14.097 191 H LEU 24 H LEU 24 1.455 -8.430 -12.707 192 HA LEU 24 HA LEU 24 1.363 -7.544 -9.953 193 1HB LEU 24 2HB LEU 24 -0.242 -9.214 -10.703 194 2HB LEU 24 1HB LEU 24 1.060 -10.294 -11.166 195 HG LEU 24 HG LEU 24 1.734 -10.496 -8.807 196 1HD1 LEU 24 1HD1 LEU 24 -0.690 -8.786 -8.261 197 2HD1 LEU 24 2HD1 LEU 24 0.994 -8.324 -8.007 198 3HD1 LEU 24 3HD1 LEU 24 0.280 -9.618 -7.045 199 1HD2 LEU 24 1HD2 LEU 24 0.170 -12.098 -9.771 200 2HD2 LEU 24 2HD2 LEU 24 -1.184 -11.074 -9.291 201 3HD2 LEU 24 3HD2 LEU 24 -0.165 -11.824 -8.061 202 H LEU 25 H LEU 25 3.309 -6.973 -9.276 203 HA LEU 25 HA LEU 25 5.733 -8.293 -9.864 204 1HB LEU 25 2HB LEU 25 4.962 -6.462 -7.587 205 2HB LEU 25 1HB LEU 25 6.599 -6.974 -7.922 206 HG LEU 25 HG LEU 25 4.865 -5.318 -9.755 207 1HD1 LEU 25 1HD1 LEU 25 6.453 -3.530 -9.264 208 2HD1 LEU 25 2HD1 LEU 25 7.287 -4.581 -8.119 209 3HD1 LEU 25 3HD1 LEU 25 5.625 -4.077 -7.805 210 1HD2 LEU 25 1HD2 LEU 25 6.373 -6.767 -11.010 211 2HD2 LEU 25 2HD2 LEU 25 7.737 -6.197 -10.050 212 3HD2 LEU 25 3HD2 LEU 25 6.884 -5.083 -11.118 213 H GLY 26 H GLY 26 3.494 -8.439 -7.138 214 1HA GLY 26 2HA GLY 26 3.338 -11.053 -6.688 215 2HA GLY 26 1HA GLY 26 4.915 -10.703 -5.989 216 H ASP 27 H ASP 27 2.491 -11.644 -4.650 217 HA ASP 27 HA ASP 27 1.447 -9.497 -3.096 218 1HB ASP 27 2HB ASP 27 1.636 -12.330 -2.110 219 2HB ASP 27 1HB ASP 27 0.434 -11.118 -1.709 220 H PHE 28 H PHE 28 2.035 -8.836 -1.064 221 HA PHE 28 HA PHE 28 4.434 -9.865 0.179 222 1HB PHE 28 2HB PHE 28 5.425 -8.486 -1.537 223 2HB PHE 28 1HB PHE 28 4.361 -7.147 -1.141 224 HD1 PHE 28 HD1 PHE 28 6.455 -9.323 1.058 225 HD2 PHE 28 HD2 PHE 28 5.686 -5.422 -0.462 226 HE1 PHE 28 HE1 PHE 28 8.165 -8.400 2.568 227 HE2 PHE 28 HE2 PHE 28 7.391 -4.494 1.044 228 HZ PHE 28 HZ PHE 28 8.625 -5.977 2.568 229 H SER 29 H SER 29 3.870 -9.926 2.232 230 HA SER 29 HA SER 29 2.087 -7.860 3.293 231 1HB SER 29 2HB SER 29 2.885 -10.508 4.533 232 2HB SER 29 1HB SER 29 1.604 -9.425 5.083 233 HG SER 29 HG SER 29 1.355 -10.084 2.449 234 H ILE 30 H ILE 30 2.753 -6.454 4.854 235 HA ILE 30 HA ILE 30 5.580 -6.700 5.639 236 HB ILE 30 HB ILE 30 5.683 -4.255 5.762 237 1HG1 ILE 30 2HG1 ILE 30 2.871 -4.382 4.655 238 2HG1 ILE 30 1HG1 ILE 30 3.364 -3.696 6.201 239 1HG2 ILE 30 1HG2 ILE 30 5.656 -3.834 3.354 240 2HG2 ILE 30 2HG2 ILE 30 4.723 -5.312 3.108 241 3HG2 ILE 30 3HG2 ILE 30 6.371 -5.401 3.733 242 1HD1 ILE 30 1HD1 ILE 30 4.187 -2.659 3.497 243 2HD1 ILE 30 2HD1 ILE 30 4.581 -1.945 5.060 244 3HD1 ILE 30 3HD1 ILE 30 2.906 -1.986 4.507 245 H ASP 31 H ASP 31 6.184 -6.263 7.710 246 HA ASP 31 HA ASP 31 4.001 -6.500 9.649 247 1HB ASP 31 2HB ASP 31 5.845 -8.190 9.618 248 2HB ASP 31 1HB ASP 31 6.975 -6.912 10.043 249 H ASN 32 H ASN 32 4.194 -5.335 11.676 250 HA ASN 32 HA ASN 32 4.440 -3.495 12.976 251 1HB ASN 32 2HB ASN 32 6.645 -2.715 11.060 252 2HB ASN 32 1HB ASN 32 6.271 -1.875 12.559 253 1HD2 ASN 32 1HD2 ASN 32 7.694 -4.656 11.117 254 2HD2 ASN 32 2HD2 ASN 32 8.409 -5.306 12.552 255 H TYR 33 H TYR 33 2.674 -3.637 10.597 256 HA TYR 33 HA TYR 33 2.039 -0.767 10.632 257 1HB TYR 33 2HB TYR 33 1.906 -2.550 8.196 258 2HB TYR 33 1HB TYR 33 1.157 -0.969 8.297 259 HD1 TYR 33 HD1 TYR 33 2.488 1.051 8.254 260 HD2 TYR 33 HD2 TYR 33 4.335 -2.771 8.018 261 HE1 TYR 33 HE1 TYR 33 4.566 2.112 7.489 262 HE2 TYR 33 HE2 TYR 33 6.419 -1.722 7.252 263 HH TYR 33 HH TYR 33 7.192 0.312 6.219 264 H GLN 34 H GLN 34 -0.116 -0.268 10.795 265 HA GLN 34 HA GLN 34 -1.908 -2.570 11.197 266 1HB GLN 34 2HB GLN 34 -1.700 0.033 12.691 267 2HB GLN 34 1HB GLN 34 -3.161 -0.948 12.751 268 1HG GLN 34 2HG GLN 34 -1.969 -2.783 13.708 269 2HG GLN 34 1HG GLN 34 -0.424 -1.969 13.464 270 1HE2 GLN 34 1HE2 GLN 34 -3.329 -2.095 15.367 271 2HE2 GLN 34 2HE2 GLN 34 -2.751 -1.114 16.669 272 H LEU 35 H LEU 35 -4.077 -2.350 10.558 273 HA LEU 35 HA LEU 35 -4.332 -0.531 8.268 274 1HB LEU 35 2HB LEU 35 -4.457 -3.123 8.124 275 2HB LEU 35 1HB LEU 35 -6.061 -2.929 8.798 276 HG LEU 35 HG LEU 35 -6.593 -1.419 6.841 277 1HD1 LEU 35 1HD1 LEU 35 -4.005 -2.563 5.808 278 2HD1 LEU 35 2HD1 LEU 35 -4.305 -0.871 6.212 279 3HD1 LEU 35 3HD1 LEU 35 -5.169 -1.626 4.870 280 1HD2 LEU 35 1HD2 LEU 35 -6.959 -3.262 5.300 281 2HD2 LEU 35 2HD2 LEU 35 -7.326 -3.763 6.951 282 3HD2 LEU 35 3HD2 LEU 35 -5.812 -4.259 6.195 283 H TYR 36 H TYR 36 -6.005 0.894 8.134 284 HA TYR 36 HA TYR 36 -8.001 0.909 10.298 285 1HB TYR 36 2HB TYR 36 -7.185 3.111 8.389 286 2HB TYR 36 1HB TYR 36 -8.472 3.243 9.579 287 HD1 TYR 36 HD1 TYR 36 -5.168 4.028 8.923 288 HD2 TYR 36 HD2 TYR 36 -7.653 2.613 12.069 289 HE1 TYR 36 HE1 TYR 36 -3.544 4.859 10.562 290 HE2 TYR 36 HE2 TYR 36 -6.033 3.440 13.727 291 HH TYR 36 HH TYR 36 -3.708 4.044 13.899 292 H SER 37 H SER 37 -10.103 0.601 9.808 293 HA SER 37 HA SER 37 -10.795 0.456 6.958 294 1HB SER 37 2HB SER 37 -12.583 -1.166 7.658 295 2HB SER 37 1HB SER 37 -10.940 -1.756 7.897 296 HG SER 37 HG SER 37 -11.198 -0.985 10.129 297 H LEU 38 H LEU 38 -12.226 1.876 6.277 298 HA LEU 38 HA LEU 38 -14.324 2.729 8.131 299 1HB LEU 38 2HB LEU 38 -14.291 4.998 7.066 300 2HB LEU 38 1HB LEU 38 -12.922 4.633 8.094 301 HG LEU 38 HG LEU 38 -12.724 4.324 5.109 302 1HD1 LEU 38 1HD1 LEU 38 -13.556 6.586 5.581 303 2HD1 LEU 38 2HD1 LEU 38 -11.891 6.606 4.999 304 3HD1 LEU 38 3HD1 LEU 38 -12.228 6.828 6.715 305 1HD2 LEU 38 1HD2 LEU 38 -10.361 4.734 5.539 306 2HD2 LEU 38 2HD2 LEU 38 -10.936 3.379 6.513 307 3HD2 LEU 38 3HD2 LEU 38 -10.696 4.961 7.256 308 H GLY 39 H GLY 39 -13.821 0.848 5.793 309 1HA GLY 39 2HA GLY 39 -15.464 -0.218 4.546 310 2HA GLY 39 1HA GLY 39 -16.511 1.170 4.775 311 H HIS 40 H HIS 40 -15.346 3.236 3.690 312 HA HIS 40 HA HIS 40 -15.432 2.487 0.882 313 1HB HIS 40 2HB HIS 40 -16.625 4.503 2.179 314 2HB HIS 40 1HB HIS 40 -15.149 5.330 1.692 315 HD1 HIS 40 HD1 HIS 40 -18.354 4.033 0.417 316 HD2 HIS 40 HD2 HIS 40 -14.828 5.595 -1.144 317 HE1 HIS 40 HE1 HIS 40 -18.866 4.598 -1.983 318 HE2 HIS 40 HE2 HIS 40 -16.771 5.694 -2.857 319 H TYR 41 H TYR 41 -13.038 2.728 3.077 320 HA TYR 41 HA TYR 41 -10.981 3.090 1.077 321 1HB TYR 41 2HB TYR 41 -10.863 4.858 3.527 322 2HB TYR 41 1HB TYR 41 -9.781 4.864 2.148 323 HD1 TYR 41 HD1 TYR 41 -10.463 5.969 0.042 324 HD2 TYR 41 HD2 TYR 41 -12.927 6.035 3.510 325 HE1 TYR 41 HE1 TYR 41 -11.741 7.850 -0.902 326 HE2 TYR 41 HE2 TYR 41 -14.210 7.898 2.582 327 HH TYR 41 HH TYR 41 -13.924 9.699 0.973 328 HA PRO 42 HA PRO 42 -8.977 0.654 4.298 329 1HB PRO 42 2HB PRO 42 -7.064 -0.379 2.602 330 2HB PRO 42 1HB PRO 42 -8.659 -1.088 2.856 331 1HG PRO 42 2HG PRO 42 -7.621 0.175 0.485 332 2HG PRO 42 1HG PRO 42 -9.195 -0.598 0.718 333 1HD PRO 42 2HD PRO 42 -8.489 2.260 0.770 334 2HD PRO 42 1HD PRO 42 -10.074 1.494 0.533 335 H GLY 43 H GLY 43 -7.625 1.693 5.659 336 1HA GLY 43 2HA GLY 43 -5.450 3.329 4.484 337 2HA GLY 43 1HA GLY 43 -6.250 3.707 6.005 338 H ALA 44 H ALA 44 -3.397 3.345 5.616 339 HA ALA 44 HA ALA 44 -2.994 1.215 7.568 340 1HB ALA 44 1HB ALA 44 -1.154 0.227 6.303 341 2HB ALA 44 2HB ALA 44 -1.454 1.352 4.977 342 3HB ALA 44 3HB ALA 44 -2.662 0.137 5.392 343 H VAL 45 H VAL 45 -1.147 1.486 8.852 344 HA VAL 45 HA VAL 45 0.589 3.786 8.388 345 HB VAL 45 HB VAL 45 0.230 4.719 10.638 346 1HG1 VAL 45 1HG1 VAL 45 -0.951 5.728 8.765 347 2HG1 VAL 45 2HG1 VAL 45 -1.890 5.837 10.252 348 3HG1 VAL 45 3HG1 VAL 45 -2.312 4.636 9.028 349 1HG2 VAL 45 1HG2 VAL 45 -2.074 2.786 10.806 350 2HG2 VAL 45 2HG2 VAL 45 -1.721 4.065 11.967 351 3HG2 VAL 45 3HG2 VAL 45 -0.588 2.730 11.756 352 HA PRO 46 HA PRO 46 3.565 1.323 10.646 353 1HB PRO 46 2HB PRO 46 4.288 3.713 12.220 354 2HB PRO 46 1HB PRO 46 5.294 2.716 11.167 355 1HG PRO 46 2HG PRO 46 4.533 5.175 10.441 356 2HG PRO 46 1HG PRO 46 4.658 3.856 9.260 357 1HD PRO 46 2HD PRO 46 2.222 5.010 10.564 358 2HD PRO 46 1HD PRO 46 2.460 4.490 8.882 359 H GLY 47 H GLY 47 3.453 0.070 12.413 360 1HA GLY 47 2HA GLY 47 2.747 0.912 14.997 361 2HA GLY 47 1HA GLY 47 1.312 0.265 14.214 362 H ASN 48 H ASN 48 0.951 -1.765 14.753 363 HA ASN 48 HA ASN 48 3.153 -3.666 14.687 364 1HB ASN 48 2HB ASN 48 1.629 -2.928 17.111 365 2HB ASN 48 1HB ASN 48 1.844 -4.653 16.840 366 1HD2 ASN 48 1HD2 ASN 48 4.409 -4.398 15.531 367 2HD2 ASN 48 2HD2 ASN 48 5.551 -3.983 16.768 368 H GLY 49 H GLY 49 2.299 -4.509 12.862 369 1HA GLY 49 2HA GLY 49 0.497 -6.637 13.155 370 2HA GLY 49 1HA GLY 49 -0.355 -5.283 12.421 371 H THR 50 H THR 50 -0.087 -7.588 10.968 372 HA THR 50 HA THR 50 2.034 -6.902 9.043 373 HB THR 50 HB THR 50 0.736 -9.608 9.413 374 HG1 THR 50 HG1 THR 50 2.953 -8.372 10.613 375 1HG2 THR 50 1HG2 THR 50 2.601 -10.408 8.039 376 2HG2 THR 50 2HG2 THR 50 3.193 -8.754 7.871 377 3HG2 THR 50 3HG2 THR 50 1.641 -9.212 7.168 378 H VAL 51 H VAL 51 1.242 -5.883 7.342 379 HA VAL 51 HA VAL 51 -1.591 -6.063 6.733 380 HB VAL 51 HB VAL 51 0.558 -4.372 5.438 381 1HG1 VAL 51 1HG1 VAL 51 -2.443 -4.214 5.210 382 2HG1 VAL 51 2HG1 VAL 51 -1.323 -4.726 3.946 383 3HG1 VAL 51 3HG1 VAL 51 -1.292 -3.061 4.530 384 1HG2 VAL 51 1HG2 VAL 51 -0.358 -2.541 6.754 385 2HG2 VAL 51 2HG2 VAL 51 0.232 -3.838 7.792 386 3HG2 VAL 51 3HG2 VAL 51 -1.499 -3.648 7.517 387 H HIS 52 H HIS 52 -2.382 -7.480 5.362 388 HA HIS 52 HA HIS 52 -0.695 -8.960 3.553 389 1HB HIS 52 2HB HIS 52 -3.708 -8.964 3.893 390 2HB HIS 52 1HB HIS 52 -2.795 -10.103 2.920 391 HD1 HIS 52 HD1 HIS 52 -1.752 -12.091 4.101 392 HD2 HIS 52 HD2 HIS 52 -3.406 -9.300 6.705 393 HE1 HIS 52 HE1 HIS 52 -1.771 -13.197 6.361 394 HE2 HIS 52 HE2 HIS 52 -2.967 -11.567 7.867 395 H GLY 53 H GLY 53 0.065 -7.651 1.910 396 1HA GLY 53 2HA GLY 53 -2.017 -6.389 0.247 397 2HA GLY 53 1HA GLY 53 -0.541 -5.533 0.661 398 H GLU 54 H GLU 54 -1.121 -5.670 -1.889 399 HA GLU 54 HA GLU 54 0.682 -7.722 -2.990 400 1HB GLU 54 2HB GLU 54 -1.644 -6.366 -4.373 401 2HB GLU 54 1HB GLU 54 -0.556 -7.528 -5.110 402 1HG GLU 54 2HG GLU 54 -2.499 -8.719 -4.638 403 2HG GLU 54 1HG GLU 54 -1.371 -9.178 -3.368 404 H VAL 55 H VAL 55 2.416 -6.975 -4.106 405 HA VAL 55 HA VAL 55 2.650 -4.086 -4.475 406 HB VAL 55 HB VAL 55 4.723 -6.210 -5.067 407 1HG1 VAL 55 1HG1 VAL 55 6.308 -4.332 -4.926 408 2HG1 VAL 55 2HG1 VAL 55 4.955 -3.220 -4.720 409 3HG1 VAL 55 3HG1 VAL 55 5.136 -4.118 -6.227 410 1HG2 VAL 55 1HG2 VAL 55 4.353 -4.538 -2.585 411 2HG2 VAL 55 2HG2 VAL 55 5.725 -5.595 -2.916 412 3HG2 VAL 55 3HG2 VAL 55 4.112 -6.280 -2.719 413 H TYR 56 H TYR 56 2.140 -3.150 -6.345 414 HA TYR 56 HA TYR 56 2.021 -4.866 -8.739 415 1HB TYR 56 2HB TYR 56 0.124 -2.816 -7.692 416 2HB TYR 56 1HB TYR 56 0.291 -2.971 -9.435 417 HD1 TYR 56 HD1 TYR 56 -0.323 -5.077 -10.551 418 HD2 TYR 56 HD2 TYR 56 -1.038 -4.469 -6.403 419 HE1 TYR 56 HE1 TYR 56 -1.916 -6.940 -10.564 420 HE2 TYR 56 HE2 TYR 56 -2.638 -6.339 -6.400 421 HH TYR 56 HH TYR 56 -4.065 -7.541 -7.998 422 H ARG 57 H ARG 57 2.357 -3.870 -10.764 423 HA ARG 57 HA ARG 57 3.838 -1.329 -10.698 424 1HB ARG 57 2HB ARG 57 5.418 -3.170 -10.991 425 2HB ARG 57 1HB ARG 57 4.458 -3.812 -12.316 426 1HG ARG 57 2HG ARG 57 5.473 -1.036 -12.583 427 2HG ARG 57 1HG ARG 57 6.634 -2.356 -12.713 428 1HD ARG 57 2HD ARG 57 5.311 -3.375 -14.482 429 2HD ARG 57 1HD ARG 57 4.099 -2.109 -14.327 430 HE ARG 57 HE ARG 57 6.280 -0.672 -14.885 431 1HH1 ARG 57 1HH1 ARG 57 5.070 -3.618 -16.347 432 2HH1 ARG 57 2HH1 ARG 57 5.635 -3.220 -17.942 433 1HH2 ARG 57 1HH2 ARG 57 7.034 -0.145 -16.991 434 2HH2 ARG 57 2HH2 ARG 57 6.757 -1.249 -18.299 435 H ILE 58 H ILE 58 2.905 0.161 -11.919 436 HA ILE 58 HA ILE 58 1.560 -0.631 -14.400 437 HB ILE 58 HB ILE 58 -0.026 1.412 -13.784 438 1HG1 ILE 58 2HG1 ILE 58 -0.743 1.129 -11.363 439 2HG1 ILE 58 1HG1 ILE 58 0.763 0.259 -11.103 440 1HG2 ILE 58 1HG2 ILE 58 -1.708 -0.214 -13.049 441 2HG2 ILE 58 2HG2 ILE 58 -0.435 -1.415 -12.822 442 3HG2 ILE 58 3HG2 ILE 58 -0.779 -0.784 -14.435 443 1HD1 ILE 58 1HD1 ILE 58 0.510 3.118 -12.005 444 2HD1 ILE 58 2HD1 ILE 58 2.019 2.244 -11.744 445 3HD1 ILE 58 3HD1 ILE 58 0.940 2.564 -10.386 446 H ASP 59 H ASP 59 0.907 1.730 -15.481 447 HA ASP 59 HA ASP 59 3.231 2.957 -16.351 448 1HB ASP 59 2HB ASP 59 0.612 4.423 -16.009 449 2HB ASP 59 1HB ASP 59 1.871 4.753 -17.188 450 H ASN 60 H ASN 60 4.282 4.963 -15.807 451 HA ASN 60 HA ASN 60 4.387 5.589 -13.034 452 1HB ASN 60 2HB ASN 60 5.726 7.557 -13.692 453 2HB ASN 60 1HB ASN 60 6.294 6.093 -14.481 454 1HD2 ASN 60 1HD2 ASN 60 6.436 9.028 -15.129 455 2HD2 ASN 60 2HD2 ASN 60 5.899 9.117 -16.767 456 H ALA 61 H ALA 61 2.702 6.978 -15.807 457 HA ALA 61 HA ALA 61 1.544 9.192 -14.492 458 1HB ALA 61 1HB ALA 61 0.540 7.687 -16.905 459 2HB ALA 61 2HB ALA 61 1.700 9.016 -16.930 460 3HB ALA 61 3HB ALA 61 0.041 9.304 -16.406 461 H THR 62 H THR 62 0.352 5.910 -15.105 462 HA THR 62 HA THR 62 -2.174 6.129 -13.973 463 HB THR 62 HB THR 62 -0.337 3.729 -13.963 464 HG1 THR 62 HG1 THR 62 -1.049 3.390 -15.982 465 1HG2 THR 62 1HG2 THR 62 -2.223 3.469 -12.406 466 2HG2 THR 62 2HG2 THR 62 -2.383 2.403 -13.802 467 3HG2 THR 62 3HG2 THR 62 -3.346 3.878 -13.706 468 H LEU 63 H LEU 63 0.951 5.801 -12.435 469 HA LEU 63 HA LEU 63 0.032 5.201 -9.826 470 1HB LEU 63 2HB LEU 63 2.418 5.074 -10.776 471 2HB LEU 63 1HB LEU 63 2.503 6.798 -10.491 472 HG LEU 63 HG LEU 63 3.560 5.308 -8.739 473 1HD1 LEU 63 1HD1 LEU 63 3.063 7.637 -8.283 474 2HD1 LEU 63 2HD1 LEU 63 2.775 6.642 -6.857 475 3HD1 LEU 63 3HD1 LEU 63 1.413 7.212 -7.823 476 1HD2 LEU 63 1HD2 LEU 63 1.846 3.590 -8.681 477 2HD2 LEU 63 2HD2 LEU 63 0.676 4.759 -8.065 478 3HD2 LEU 63 3HD2 LEU 63 2.072 4.306 -7.084 479 H ALA 64 H ALA 64 0.916 8.238 -11.439 480 HA ALA 64 HA ALA 64 0.009 9.965 -9.391 481 1HB ALA 64 1HB ALA 64 0.113 11.723 -11.071 482 2HB ALA 64 2HB ALA 64 0.252 10.513 -12.347 483 3HB ALA 64 3HB ALA 64 1.543 10.695 -11.157 484 H GLU 65 H GLU 65 -1.653 8.153 -11.805 485 HA GLU 65 HA GLU 65 -4.063 9.684 -11.836 486 1HB GLU 65 2HB GLU 65 -3.554 8.206 -13.685 487 2HB GLU 65 1HB GLU 65 -3.486 6.818 -12.611 488 1HG GLU 65 2HG GLU 65 -5.830 6.854 -12.270 489 2HG GLU 65 1HG GLU 65 -5.985 8.437 -13.035 490 H LEU 66 H LEU 66 -3.098 6.669 -10.221 491 HA LEU 66 HA LEU 66 -5.432 6.404 -8.655 492 1HB LEU 66 2HB LEU 66 -3.641 4.656 -9.121 493 2HB LEU 66 1HB LEU 66 -2.664 5.453 -7.906 494 HG LEU 66 HG LEU 66 -5.407 4.436 -7.215 495 1HD1 LEU 66 1HD1 LEU 66 -4.387 2.323 -6.522 496 2HD1 LEU 66 2HD1 LEU 66 -2.849 2.834 -7.218 497 3HD1 LEU 66 3HD1 LEU 66 -4.245 2.566 -8.262 498 1HD2 LEU 66 1HD2 LEU 66 -4.298 5.866 -5.586 499 2HD2 LEU 66 2HD2 LEU 66 -2.870 4.834 -5.626 500 3HD2 LEU 66 3HD2 LEU 66 -4.392 4.209 -4.988 501 H ASP 67 H ASP 67 -2.379 8.064 -8.181 502 HA ASP 67 HA ASP 67 -2.652 8.928 -5.547 503 1HB ASP 67 2HB ASP 67 -0.599 9.249 -6.817 504 2HB ASP 67 1HB ASP 67 -1.418 10.345 -7.917 505 H ALA 68 H ALA 68 -3.604 10.586 -8.531 506 HA ALA 68 HA ALA 68 -4.716 12.852 -7.309 507 1HB ALA 68 1HB ALA 68 -4.017 12.687 -9.674 508 2HB ALA 68 2HB ALA 68 -5.637 13.357 -9.469 509 3HB ALA 68 3HB ALA 68 -5.431 11.682 -9.990 510 H LEU 69 H LEU 69 -6.034 9.701 -7.980 511 HA LEU 69 HA LEU 69 -8.756 10.480 -7.528 512 1HB LEU 69 2HB LEU 69 -7.325 7.905 -7.996 513 2HB LEU 69 1HB LEU 69 -8.943 7.859 -7.323 514 HG LEU 69 HG LEU 69 -8.194 9.163 -9.942 515 1HD1 LEU 69 1HD1 LEU 69 -9.662 6.582 -9.407 516 2HD1 LEU 69 2HD1 LEU 69 -8.003 6.709 -9.995 517 3HD1 LEU 69 3HD1 LEU 69 -9.339 7.297 -10.987 518 1HD2 LEU 69 1HD2 LEU 69 -10.077 10.246 -8.869 519 2HD2 LEU 69 2HD2 LEU 69 -10.855 8.687 -8.610 520 3HD2 LEU 69 3HD2 LEU 69 -10.635 9.297 -10.249 521 H ARG 70 H ARG 70 -6.279 8.772 -5.648 522 HA ARG 70 HA ARG 70 -8.158 8.320 -3.519 523 1HB ARG 70 2HB ARG 70 -6.565 6.581 -3.952 524 2HB ARG 70 1HB ARG 70 -5.218 7.696 -3.773 525 1HG ARG 70 2HG ARG 70 -5.681 7.939 -1.414 526 2HG ARG 70 1HG ARG 70 -7.119 6.930 -1.567 527 1HD ARG 70 2HD ARG 70 -5.789 5.007 -2.102 528 2HD ARG 70 1HD ARG 70 -4.325 5.987 -2.195 529 HE ARG 70 HE ARG 70 -4.505 6.319 0.205 530 1HH1 ARG 70 1HH1 ARG 70 -6.442 3.746 -1.158 531 2HH1 ARG 70 2HH1 ARG 70 -6.545 2.867 0.332 532 1HH2 ARG 70 1HH2 ARG 70 -4.639 5.147 2.164 533 2HH2 ARG 70 2HH2 ARG 70 -5.546 3.667 2.214 534 H THR 71 H THR 71 -5.220 10.323 -3.916 535 HA THR 71 HA THR 71 -5.830 11.446 -1.263 536 HB THR 71 HB THR 71 -3.608 10.313 -1.502 537 HG1 THR 71 HG1 THR 71 -2.434 12.211 -0.614 538 1HG2 THR 71 1HG2 THR 71 -1.809 11.495 -2.664 539 2HG2 THR 71 2HG2 THR 71 -2.975 12.666 -3.281 540 3HG2 THR 71 3HG2 THR 71 -3.067 10.979 -3.787 541 H ARG 72 H ARG 72 -5.229 12.232 -4.603 542 HA ARG 72 HA ARG 72 -5.392 14.107 -5.834 543 1HB ARG 72 2HB ARG 72 -7.723 13.777 -5.114 544 2HB ARG 72 1HB ARG 72 -7.437 14.835 -3.742 545 1HG ARG 72 2HG ARG 72 -8.612 15.958 -5.555 546 2HG ARG 72 1HG ARG 72 -7.054 16.711 -5.223 547 1HD ARG 72 2HD ARG 72 -6.080 15.582 -7.141 548 2HD ARG 72 1HD ARG 72 -7.601 14.740 -7.441 549 HE ARG 72 HE ARG 72 -8.507 17.149 -7.680 550 1HH1 ARG 72 1HH1 ARG 72 -5.336 16.049 -8.721 551 2HH1 ARG 72 2HH1 ARG 72 -5.200 17.247 -9.973 552 1HH2 ARG 72 1HH2 ARG 72 -8.332 18.696 -9.325 553 2HH2 ARG 72 2HH2 ARG 72 -6.929 18.724 -10.354 554 H GLY 73 H GLY 73 -6.208 15.923 -2.928 555 1HA GLY 73 2HA GLY 73 -4.028 17.759 -3.583 556 2HA GLY 73 1HA GLY 73 -5.390 18.098 -2.524 557 H GLY 74 H GLY 74 -3.638 15.138 -2.171 558 1HA GLY 74 2HA GLY 74 -2.044 14.462 -0.642 559 2HA GLY 74 1HA GLY 74 -1.800 16.147 -0.204 560 H GLU 75 H GLU 75 -4.802 14.267 -0.148 561 HA GLU 75 HA GLU 75 -5.442 15.062 2.506 562 1HB GLU 75 2HB GLU 75 -7.142 14.402 0.796 563 2HB GLU 75 1HB GLU 75 -6.580 12.744 0.917 564 1HG GLU 75 2HG GLU 75 -7.305 12.602 3.198 565 2HG GLU 75 1HG GLU 75 -7.714 14.317 3.215 566 H TYR 76 H TYR 76 -3.781 12.370 1.079 567 HA TYR 76 HA TYR 76 -3.225 11.303 3.773 568 1HB TYR 76 2HB TYR 76 -3.096 9.706 1.207 569 2HB TYR 76 1HB TYR 76 -3.051 9.097 2.859 570 HD1 TYR 76 HD1 TYR 76 -4.999 8.973 0.148 571 HD2 TYR 76 HD2 TYR 76 -5.285 10.275 4.187 572 HE1 TYR 76 HE1 TYR 76 -7.435 8.665 0.071 573 HE2 TYR 76 HE2 TYR 76 -7.721 9.968 4.119 574 HH TYR 76 HH TYR 76 -9.518 9.973 2.218 575 H ALA 77 H ALA 77 -1.048 10.341 3.980 576 HA ALA 77 HA ALA 77 0.887 11.894 2.408 577 1HB ALA 77 1HB ALA 77 1.290 10.468 5.035 578 2HB ALA 77 2HB ALA 77 0.954 12.188 4.847 579 3HB ALA 77 3HB ALA 77 2.456 11.511 4.218 580 H ARG 78 H ARG 78 2.083 10.920 0.928 581 HA ARG 78 HA ARG 78 1.992 8.048 0.649 582 1HB ARG 78 2HB ARG 78 3.399 8.415 -1.358 583 2HB ARG 78 1HB ARG 78 1.936 9.389 -1.371 584 1HG ARG 78 2HG ARG 78 3.134 11.362 -0.836 585 2HG ARG 78 1HG ARG 78 4.601 10.452 -0.479 586 1HD ARG 78 2HD ARG 78 4.766 11.537 -2.644 587 2HD ARG 78 1HD ARG 78 4.757 9.787 -2.828 588 HE ARG 78 HE ARG 78 2.133 10.653 -3.113 589 1HH1 ARG 78 1HH1 ARG 78 5.201 11.097 -4.746 590 2HH1 ARG 78 2HH1 ARG 78 4.482 11.289 -6.311 591 1HH2 ARG 78 1HH2 ARG 78 1.171 10.930 -5.165 592 2HH2 ARG 78 2HH2 ARG 78 2.192 11.192 -6.550 593 H GLN 79 H GLN 79 3.244 6.684 1.499 594 HA GLN 79 HA GLN 79 5.863 7.506 2.538 595 1HB GLN 79 2HB GLN 79 3.756 5.836 3.507 596 2HB GLN 79 1HB GLN 79 5.162 4.836 3.222 597 1HG GLN 79 2HG GLN 79 6.474 6.482 4.607 598 2HG GLN 79 1HG GLN 79 4.930 7.214 5.032 599 1HE2 GLN 79 1HE2 GLN 79 3.623 4.539 4.938 600 2HE2 GLN 79 2HE2 GLN 79 4.073 3.773 6.419 601 H LEU 80 H LEU 80 7.709 6.346 1.871 602 HA LEU 80 HA LEU 80 7.220 4.584 -0.430 603 1HB LEU 80 2HB LEU 80 8.494 6.648 -0.935 604 2HB LEU 80 1HB LEU 80 9.734 6.125 0.193 605 HG LEU 80 HG LEU 80 10.158 4.138 -1.184 606 1HD1 LEU 80 1HD1 LEU 80 7.958 3.832 -2.148 607 2HD1 LEU 80 2HD1 LEU 80 9.163 3.989 -3.426 608 3HD1 LEU 80 3HD1 LEU 80 8.108 5.349 -3.036 609 1HD2 LEU 80 1HD2 LEU 80 11.226 5.262 -3.046 610 2HD2 LEU 80 2HD2 LEU 80 11.418 6.221 -1.577 611 3HD2 LEU 80 3HD2 LEU 80 10.223 6.689 -2.789 612 H ILE 81 H ILE 81 7.427 2.537 0.018 613 HA ILE 81 HA ILE 81 9.263 1.751 2.176 614 HB ILE 81 HB ILE 81 7.862 -0.296 2.382 615 1HG1 ILE 81 2HG1 ILE 81 5.911 1.190 0.610 616 2HG1 ILE 81 1HG1 ILE 81 6.915 -0.135 0.039 617 1HG2 ILE 81 1HG2 ILE 81 6.491 2.368 2.730 618 2HG2 ILE 81 2HG2 ILE 81 7.551 1.568 3.890 619 3HG2 ILE 81 3HG2 ILE 81 5.979 0.866 3.502 620 1HD1 ILE 81 1HD1 ILE 81 5.841 -1.631 1.639 621 2HD1 ILE 81 2HD1 ILE 81 4.670 -0.885 0.552 622 3HD1 ILE 81 3HD1 ILE 81 4.836 -0.298 2.207 623 H GLN 82 H GLN 82 10.680 0.070 1.849 624 HA GLN 82 HA GLN 82 11.319 -0.330 -0.965 625 1HB GLN 82 2HB GLN 82 12.927 -0.945 1.520 626 2HB GLN 82 1HB GLN 82 13.494 -1.158 -0.131 627 1HG GLN 82 2HG GLN 82 12.859 1.404 1.298 628 2HG GLN 82 1HG GLN 82 14.401 0.881 0.618 629 1HE2 GLN 82 1HE2 GLN 82 11.251 2.153 -0.061 630 2HE2 GLN 82 2HE2 GLN 82 11.547 2.599 -1.701 631 H THR 83 H THR 83 10.202 -1.945 -1.818 632 HA THR 83 HA THR 83 9.925 -4.433 -0.295 633 HB THR 83 HB THR 83 8.038 -4.910 -1.536 634 HG1 THR 83 HG1 THR 83 8.777 -3.197 -3.679 635 1HG2 THR 83 1HG2 THR 83 6.762 -2.848 -1.961 636 2HG2 THR 83 2HG2 THR 83 8.252 -1.904 -1.837 637 3HG2 THR 83 3HG2 THR 83 7.631 -2.769 -0.428 638 HA PRO 84 HA PRO 84 12.955 -6.615 -2.705 639 1HB PRO 84 2HB PRO 84 10.957 -8.750 -3.191 640 2HB PRO 84 1HB PRO 84 12.544 -8.849 -2.420 641 1HG PRO 84 2HG PRO 84 10.306 -9.001 -0.976 642 2HG PRO 84 1HG PRO 84 11.736 -8.149 -0.365 643 1HD PRO 84 2HD PRO 84 9.221 -7.031 -1.546 644 2HD PRO 84 1HD PRO 84 10.179 -6.444 -0.170 645 H TYR 85 H TYR 85 9.841 -5.894 -3.981 646 HA TYR 85 HA TYR 85 10.618 -6.653 -6.700 647 1HB TYR 85 2HB TYR 85 7.930 -5.692 -5.702 648 2HB TYR 85 1HB TYR 85 8.278 -6.431 -7.263 649 HD1 TYR 85 HD1 TYR 85 7.283 -7.025 -3.893 650 HD2 TYR 85 HD2 TYR 85 9.169 -8.846 -7.242 651 HE1 TYR 85 HE1 TYR 85 6.836 -9.244 -2.930 652 HE2 TYR 85 HE2 TYR 85 8.723 -11.070 -6.291 653 HH TYR 85 HH TYR 85 8.319 -12.077 -4.073 654 H GLY 86 H GLY 86 10.841 -4.034 -4.719 655 1HA GLY 86 2HA GLY 86 11.957 -2.153 -6.063 656 2HA GLY 86 1HA GLY 86 10.408 -2.090 -6.891 657 H SER 87 H SER 87 11.538 0.103 -5.522 658 HA SER 87 HA SER 87 10.394 0.434 -2.956 659 1HB SER 87 2HB SER 87 10.848 2.844 -3.350 660 2HB SER 87 1HB SER 87 12.244 1.821 -3.670 661 HG SER 87 HG SER 87 11.932 2.060 -5.848 662 H ALA 88 H ALA 88 8.271 0.324 -2.594 663 HA ALA 88 HA ALA 88 6.450 1.240 -4.717 664 1HB ALA 88 1HB ALA 88 6.212 -1.113 -4.139 665 2HB ALA 88 2HB ALA 88 4.764 -0.211 -3.694 666 3HB ALA 88 3HB ALA 88 5.923 -0.686 -2.452 667 H TRP 89 H TRP 89 4.745 2.604 -4.266 668 HA TRP 89 HA TRP 89 5.108 4.287 -1.943 669 1HB TRP 89 2HB TRP 89 3.129 4.421 -4.228 670 2HB TRP 89 1HB TRP 89 3.253 5.622 -2.952 671 HD1 TRP 89 HD1 TRP 89 4.638 4.750 -6.268 672 HE1 TRP 89 HE1 TRP 89 6.545 6.364 -6.860 673 HE3 TRP 89 HE3 TRP 89 5.324 6.936 -1.699 674 HZ2 TRP 89 HZ2 TRP 89 8.148 8.297 -5.573 675 HZ3 TRP 89 HZ3 TRP 89 7.065 8.656 -1.462 676 HH2 TRP 89 HH2 TRP 89 8.449 9.321 -3.360 677 H MET 90 H MET 90 4.095 4.063 -0.091 678 HA MET 90 HA MET 90 1.565 2.543 0.029 679 1HB MET 90 2HB MET 90 3.501 1.540 1.240 680 2HB MET 90 1HB MET 90 3.613 2.997 2.214 681 1HG MET 90 2HG MET 90 1.335 2.566 3.053 682 2HG MET 90 1HG MET 90 1.321 1.055 2.143 683 1HE MET 90 1HE MET 90 1.713 -0.299 5.770 684 2HE MET 90 2HE MET 90 0.825 -0.420 4.250 685 3HE MET 90 3HE MET 90 0.713 1.048 5.222 686 H TYR 91 H TYR 91 -0.174 3.816 0.396 687 HA TYR 91 HA TYR 91 0.325 6.564 1.213 688 1HB TYR 91 2HB TYR 91 -2.122 5.235 0.049 689 2HB TYR 91 1HB TYR 91 -2.074 6.923 0.544 690 HD1 TYR 91 HD1 TYR 91 -0.610 8.523 -0.663 691 HD2 TYR 91 HD2 TYR 91 -1.124 4.520 -2.008 692 HE1 TYR 91 HE1 TYR 91 0.299 9.152 -2.859 693 HE2 TYR 91 HE2 TYR 91 -0.216 5.139 -4.208 694 HH TYR 91 HH TYR 91 0.042 7.179 -5.590 695 H VAL 92 H VAL 92 0.369 6.946 3.301 696 HA VAL 92 HA VAL 92 -1.218 5.438 5.178 697 HB VAL 92 HB VAL 92 0.852 7.598 5.414 698 1HG1 VAL 92 1HG1 VAL 92 0.520 7.688 7.837 699 2HG1 VAL 92 2HG1 VAL 92 -0.907 6.662 7.686 700 3HG1 VAL 92 3HG1 VAL 92 -0.906 8.278 6.981 701 1HG2 VAL 92 1HG2 VAL 92 1.970 5.964 6.789 702 2HG2 VAL 92 2HG2 VAL 92 1.479 5.213 5.268 703 3HG2 VAL 92 3HG2 VAL 92 0.554 4.912 6.745 704 H TYR 93 H TYR 93 -3.146 5.969 5.935 705 HA TYR 93 HA TYR 93 -4.633 8.165 4.965 706 1HB TYR 93 2HB TYR 93 -5.429 5.900 5.998 707 2HB TYR 93 1HB TYR 93 -5.283 6.741 7.537 708 HD1 TYR 93 HD1 TYR 93 -7.331 6.142 4.677 709 HD2 TYR 93 HD2 TYR 93 -6.649 8.897 7.843 710 HE1 TYR 93 HE1 TYR 93 -9.575 7.076 4.336 711 HE2 TYR 93 HE2 TYR 93 -8.900 9.838 7.513 712 HH TYR 93 HH TYR 93 -11.252 8.316 5.539 713 H GLN 94 H GLN 94 -4.527 10.241 5.591 714 HA GLN 94 HA GLN 94 -3.029 10.819 8.049 715 1HB GLN 94 2HB GLN 94 -2.375 11.561 5.541 716 2HB GLN 94 1HB GLN 94 -3.412 12.911 5.974 717 1HG GLN 94 2HG GLN 94 -1.093 13.433 6.423 718 2HG GLN 94 1HG GLN 94 -2.017 13.362 7.920 719 1HE2 GLN 94 1HE2 GLN 94 -1.069 10.496 6.208 720 2HE2 GLN 94 2HE2 GLN 94 0.109 9.957 7.349 721 H ARG 95 H ARG 95 -3.700 13.502 8.314 722 HA ARG 95 HA ARG 95 -5.262 14.911 9.164 723 1HB ARG 95 2HB ARG 95 -7.388 13.268 7.774 724 2HB ARG 95 1HB ARG 95 -7.441 14.978 8.187 725 1HG ARG 95 2HG ARG 95 -5.417 15.168 6.571 726 2HG ARG 95 1HG ARG 95 -5.979 13.613 5.970 727 1HD ARG 95 2HD ARG 95 -6.920 15.381 4.631 728 2HD ARG 95 1HD ARG 95 -8.196 14.591 5.555 729 HE ARG 95 HE ARG 95 -8.464 16.519 6.830 730 1HH1 ARG 95 1HH1 ARG 95 -5.808 16.873 4.564 731 2HH1 ARG 95 2HH1 ARG 95 -5.684 18.594 4.776 732 1HH2 ARG 95 1HH2 ARG 95 -8.321 18.786 7.088 733 2HH2 ARG 95 2HH2 ARG 95 -7.121 19.678 6.205 734 HA PRO 96 HA PRO 96 -7.172 13.138 12.837 735 1HB PRO 96 2HB PRO 96 -9.936 13.671 11.853 736 2HB PRO 96 1HB PRO 96 -9.196 14.077 13.406 737 1HG PRO 96 2HG PRO 96 -9.575 15.951 11.562 738 2HG PRO 96 1HG PRO 96 -8.099 15.933 12.549 739 1HD PRO 96 2HD PRO 96 -8.494 15.105 9.705 740 2HD PRO 96 1HD PRO 96 -7.105 15.908 10.465 741 H VAL 97 H VAL 97 -6.671 10.991 12.530 742 HA VAL 97 HA VAL 97 -8.488 9.303 10.994 743 HB VAL 97 HB VAL 97 -6.879 7.489 11.443 744 1HG1 VAL 97 1HG1 VAL 97 -6.600 8.854 9.458 745 2HG1 VAL 97 2HG1 VAL 97 -5.029 8.377 10.102 746 3HG1 VAL 97 3HG1 VAL 97 -5.633 10.014 10.369 747 1HG2 VAL 97 1HG2 VAL 97 -4.747 7.953 12.525 748 2HG2 VAL 97 2HG2 VAL 97 -6.086 8.257 13.633 749 3HG2 VAL 97 3HG2 VAL 97 -5.261 9.608 12.854 750 H ASP 98 H ASP 98 -8.119 10.402 14.114 751 HA ASP 98 HA ASP 98 -8.788 8.190 15.698 752 1HB ASP 98 2HB ASP 98 -7.940 10.364 16.567 753 2HB ASP 98 1HB ASP 98 -9.494 11.094 16.185 754 H GLY 99 H GLY 99 -10.486 6.929 15.202 755 1HA GLY 99 2HA GLY 99 -13.006 7.065 15.727 756 2HA GLY 99 1HA GLY 99 -13.009 8.240 14.420 757 H LEU 100 H LEU 100 -10.739 6.372 13.315 758 HA LEU 100 HA LEU 100 -12.493 4.864 11.605 759 1HB LEU 100 2HB LEU 100 -9.482 4.776 11.808 760 2HB LEU 100 1HB LEU 100 -10.451 4.122 10.502 761 HG LEU 100 HG LEU 100 -10.239 7.049 11.201 762 1HD1 LEU 100 1HD1 LEU 100 -9.009 5.472 8.949 763 2HD1 LEU 100 2HD1 LEU 100 -8.153 6.209 10.306 764 3HD1 LEU 100 3HD1 LEU 100 -8.964 7.229 9.117 765 1HD2 LEU 100 1HD2 LEU 100 -11.571 5.661 8.879 766 2HD2 LEU 100 2HD2 LEU 100 -11.407 7.405 9.084 767 3HD2 LEU 100 3HD2 LEU 100 -12.390 6.474 10.214 768 H LYS 101 H LYS 101 -12.136 2.510 11.247 769 HA LYS 101 HA LYS 101 -12.116 1.188 13.851 770 1HB LYS 101 2HB LYS 101 -12.875 -0.038 11.199 771 2HB LYS 101 1HB LYS 101 -13.319 -0.581 12.814 772 1HG LYS 101 2HG LYS 101 -14.672 1.429 13.122 773 2HG LYS 101 1HG LYS 101 -14.234 1.968 11.502 774 1HD LYS 101 2HD LYS 101 -15.233 -0.211 10.669 775 2HD LYS 101 1HD LYS 101 -15.906 -0.402 12.291 776 1HE LYS 101 2HE LYS 101 -16.436 1.807 10.317 777 2HE LYS 101 1HE LYS 101 -17.579 0.612 10.928 778 1HZ LYS 101 1HZ LYS 101 -17.880 2.764 11.988 779 2HZ LYS 101 2HZ LYS 101 -16.280 2.748 12.541 780 3HZ LYS 101 3HZ LYS 101 -17.387 1.607 13.126 781 H LEU 102 H LEU 102 -10.251 0.446 14.508 782 HA LEU 102 HA LEU 102 -8.037 0.107 12.728 783 1HB LEU 102 2HB LEU 102 -7.787 0.998 15.000 784 2HB LEU 102 1HB LEU 102 -8.336 -0.526 15.670 785 HG LEU 102 HG LEU 102 -6.330 -1.634 14.726 786 1HD1 LEU 102 1HD1 LEU 102 -5.475 1.171 14.023 787 2HD1 LEU 102 2HD1 LEU 102 -5.930 -0.083 12.870 788 3HD1 LEU 102 3HD1 LEU 102 -4.495 -0.288 13.874 789 1HD2 LEU 102 1HD2 LEU 102 -4.752 -0.707 16.329 790 2HD2 LEU 102 2HD2 LEU 102 -6.363 -0.820 17.036 791 3HD2 LEU 102 3HD2 LEU 102 -5.746 0.741 16.491 792 H ILE 103 H ILE 103 -7.119 -1.673 11.965 793 HA ILE 103 HA ILE 103 -8.136 -4.304 12.812 794 HB ILE 103 HB ILE 103 -7.175 -3.542 10.043 795 1HG1 ILE 103 2HG1 ILE 103 -9.973 -4.206 10.992 796 2HG1 ILE 103 1HG1 ILE 103 -9.400 -2.600 10.551 797 1HG2 ILE 103 1HG2 ILE 103 -6.634 -5.837 10.607 798 2HG2 ILE 103 2HG2 ILE 103 -7.923 -5.794 9.404 799 3HG2 ILE 103 3HG2 ILE 103 -8.302 -6.134 11.093 800 1HD1 ILE 103 1HD1 ILE 103 -9.614 -4.972 8.711 801 2HD1 ILE 103 2HD1 ILE 103 -9.030 -3.369 8.262 802 3HD1 ILE 103 3HD1 ILE 103 -10.706 -3.586 8.767 803 H GLU 104 H GLU 104 -6.461 -4.577 14.311 804 HA GLU 104 HA GLU 104 -3.718 -4.194 13.717 805 1HB GLU 104 2HB GLU 104 -4.697 -6.258 15.674 806 2HB GLU 104 1HB GLU 104 -3.227 -5.302 15.739 807 1HG GLU 104 2HG GLU 104 -4.470 -4.268 17.344 808 2HG GLU 104 1HG GLU 104 -4.906 -3.302 15.935 809 H SER 105 H SER 105 -5.928 -6.536 12.707 810 HA SER 105 HA SER 105 -4.189 -8.764 12.393 811 1HB SER 105 2HB SER 105 -6.706 -8.178 10.829 812 2HB SER 105 1HB SER 105 -5.977 -9.753 11.132 813 HG SER 105 HG SER 105 -7.667 -9.493 12.559 814 H GLY 106 H GLY 106 -4.640 -5.854 10.627 815 1HA GLY 106 2HA GLY 106 -3.634 -5.044 8.726 816 2HA GLY 106 1HA GLY 106 -2.547 -6.421 8.810 817 H ASP 107 H ASP 107 -6.019 -6.782 8.583 818 HA ASP 107 HA ASP 107 -5.758 -7.578 5.769 819 1HB ASP 107 2HB ASP 107 -5.630 -9.586 7.270 820 2HB ASP 107 1HB ASP 107 -7.250 -9.201 7.840 821 H TRP 108 H TRP 108 -7.492 -7.110 4.508 822 HA TRP 108 HA TRP 108 -9.200 -5.040 5.463 823 1HB TRP 108 2HB TRP 108 -8.280 -5.056 3.171 824 2HB TRP 108 1HB TRP 108 -9.196 -6.510 2.814 825 HD1 TRP 108 HD1 TRP 108 -11.210 -5.974 1.367 826 HE1 TRP 108 HE1 TRP 108 -12.900 -4.041 1.161 827 HE3 TRP 108 HE3 TRP 108 -9.370 -2.902 5.023 828 HZ2 TRP 108 HZ2 TRP 108 -13.386 -1.552 2.391 829 HZ3 TRP 108 HZ3 TRP 108 -10.512 -0.762 5.442 830 HH2 TRP 108 HH2 TRP 108 -12.476 -0.102 4.153 831 H LEU 109 H LEU 109 -9.570 -8.477 5.075 832 HA LEU 109 HA LEU 109 -12.499 -8.184 5.300 833 1HB LEU 109 2HB LEU 109 -10.913 -10.358 3.934 834 2HB LEU 109 1HB LEU 109 -12.663 -10.293 4.045 835 HG LEU 109 HG LEU 109 -11.065 -8.117 2.703 836 1HD1 LEU 109 1HD1 LEU 109 -11.596 -9.181 0.574 837 2HD1 LEU 109 2HD1 LEU 109 -12.282 -10.562 1.430 838 3HD1 LEU 109 3HD1 LEU 109 -10.558 -10.205 1.566 839 1HD2 LEU 109 1HD2 LEU 109 -13.199 -7.636 1.616 840 2HD2 LEU 109 2HD2 LEU 109 -13.350 -7.559 3.374 841 3HD2 LEU 109 3HD2 LEU 109 -13.953 -8.966 2.498 842 H ASP 110 H ASP 110 -10.077 -8.732 7.217 843 HA ASP 110 HA ASP 110 -10.780 -11.285 8.346 844 1HB ASP 110 2HB ASP 110 -8.451 -10.519 8.374 845 2HB ASP 110 1HB ASP 110 -8.909 -9.144 9.373 846 H ARG 111 H ARG 111 -10.795 -7.958 9.597 847 HA ARG 111 HA ARG 111 -12.491 -8.819 11.792 848 1HB ARG 111 2HB ARG 111 -11.075 -6.218 11.240 849 2HB ARG 111 1HB ARG 111 -12.033 -6.547 12.682 850 1HG ARG 111 2HG ARG 111 -10.566 -8.378 13.263 851 2HG ARG 111 1HG ARG 111 -9.615 -8.102 11.810 852 1HD ARG 111 2HD ARG 111 -8.596 -7.165 13.865 853 2HD ARG 111 1HD ARG 111 -8.890 -5.970 12.604 854 HE ARG 111 HE ARG 111 -10.761 -5.176 13.884 855 1HH1 ARG 111 1HH1 ARG 111 -8.758 -7.516 15.543 856 2HH1 ARG 111 2HH1 ARG 111 -9.076 -6.856 17.121 857 1HH2 ARG 111 1HH2 ARG 111 -11.212 -4.330 15.978 858 2HH2 ARG 111 2HH2 ARG 111 -10.470 -5.072 17.365 859 H ASP 112 H ASP 112 -13.189 -8.168 8.837 860 HA ASP 112 HA ASP 112 -15.103 -6.088 8.923 861 1HB ASP 112 2HB ASP 112 -14.225 -6.841 6.794 862 2HB ASP 112 1HB ASP 112 -14.871 -8.459 7.067 863 H LYS 113 H LYS 113 -15.443 -9.616 9.090 864 HA LYS 113 HA LYS 113 -16.854 -10.946 10.278 865 1HB LYS 113 2HB LYS 113 -17.677 -8.347 11.544 866 2HB LYS 113 1HB LYS 113 -18.219 -9.930 12.084 867 1HG LYS 113 2HG LYS 113 -15.930 -10.569 12.559 868 2HG LYS 113 1HG LYS 113 -15.359 -8.999 12.000 869 1HD LYS 113 2HD LYS 113 -17.398 -9.166 14.185 870 2HD LYS 113 1HD LYS 113 -15.691 -9.412 14.550 871 1HE LYS 113 2HE LYS 113 -16.334 -7.090 14.920 872 2HE LYS 113 1HE LYS 113 -15.172 -7.217 13.605 873 1HZ LYS 113 1HZ LYS 113 -16.966 -6.986 12.022 874 2HZ LYS 113 2HZ LYS 113 -16.971 -5.673 13.091 875 3HZ LYS 113 3HZ LYS 113 -18.112 -6.920 13.271 Start of MODEL 7 1 1H MET 1 1HT MET 1 5.669 2.933 -13.672 2 2H MET 1 2HT MET 1 4.533 1.712 -13.361 3 3H MET 1 3HT MET 1 6.176 1.432 -13.067 4 HA MET 1 HA MET 1 6.197 3.066 -11.331 5 1HB MET 1 2HB MET 1 4.366 4.449 -12.367 6 2HB MET 1 1HB MET 1 3.216 3.268 -11.749 7 1HG MET 1 2HG MET 1 3.407 5.249 -10.319 8 2HG MET 1 1HG MET 1 3.852 3.761 -9.485 9 1HE MET 1 1HE MET 1 6.904 6.877 -11.019 10 2HE MET 1 2HE MET 1 5.157 7.064 -11.158 11 3HE MET 1 3HE MET 1 5.987 5.825 -12.097 12 H ARG 2 H ARG 2 5.571 2.432 -9.110 13 HA ARG 2 HA ARG 2 4.165 -0.136 -8.983 14 1HB ARG 2 2HB ARG 2 6.956 0.478 -8.208 15 2HB ARG 2 1HB ARG 2 6.036 -0.536 -7.108 16 1HG ARG 2 2HG ARG 2 5.690 -2.185 -8.764 17 2HG ARG 2 1HG ARG 2 6.259 -1.112 -10.045 18 1HD ARG 2 2HD ARG 2 8.009 -1.985 -7.765 19 2HD ARG 2 1HD ARG 2 7.861 -2.918 -9.254 20 HE ARG 2 HE ARG 2 8.557 -0.118 -9.583 21 1HH1 ARG 2 1HH1 ARG 2 9.687 -3.434 -9.314 22 2HH1 ARG 2 2HH1 ARG 2 11.214 -3.107 -10.073 23 1HH2 ARG 2 1HH2 ARG 2 10.570 0.299 -10.605 24 2HH2 ARG 2 2HH2 ARG 2 11.691 -1.011 -10.849 25 H ILE 3 H ILE 3 2.679 -0.222 -7.465 26 HA ILE 3 HA ILE 3 2.793 1.725 -5.257 27 HB ILE 3 HB ILE 3 0.316 0.985 -6.839 28 1HG1 ILE 3 2HG1 ILE 3 1.825 3.605 -6.661 29 2HG1 ILE 3 1HG1 ILE 3 1.821 2.523 -8.048 30 1HG2 ILE 3 1HG2 ILE 3 -0.813 2.685 -5.461 31 2HG2 ILE 3 2HG2 ILE 3 0.659 2.875 -4.511 32 3HG2 ILE 3 3HG2 ILE 3 -0.207 1.340 -4.495 33 1HD1 ILE 3 1HD1 ILE 3 -0.570 2.902 -8.337 34 2HD1 ILE 3 2HD1 ILE 3 0.338 4.415 -8.389 35 3HD1 ILE 3 3HD1 ILE 3 -0.568 3.978 -6.940 36 H PHE 4 H PHE 4 1.970 1.021 -3.284 37 HA PHE 4 HA PHE 4 1.759 -1.862 -2.997 38 1HB PHE 4 2HB PHE 4 3.117 -0.591 -1.385 39 2HB PHE 4 1HB PHE 4 1.698 0.336 -0.910 40 HD1 PHE 4 HD1 PHE 4 3.033 -3.133 -1.034 41 HD2 PHE 4 HD2 PHE 4 0.346 -0.406 0.824 42 HE1 PHE 4 HE1 PHE 4 2.520 -4.817 0.688 43 HE2 PHE 4 HE2 PHE 4 -0.169 -2.083 2.550 44 HZ PHE 4 HZ PHE 4 0.919 -4.288 2.484 45 H VAL 5 H VAL 5 -0.139 -2.781 -3.343 46 HA VAL 5 HA VAL 5 -2.595 -1.278 -2.889 47 HB VAL 5 HB VAL 5 -2.154 -3.997 -4.145 48 1HG1 VAL 5 1HG1 VAL 5 -4.678 -2.351 -3.959 49 2HG1 VAL 5 2HG1 VAL 5 -4.365 -3.862 -3.110 50 3HG1 VAL 5 3HG1 VAL 5 -4.490 -3.851 -4.868 51 1HG2 VAL 5 1HG2 VAL 5 -2.835 -1.324 -5.355 52 2HG2 VAL 5 2HG2 VAL 5 -2.711 -2.850 -6.233 53 3HG2 VAL 5 3HG2 VAL 5 -1.280 -2.151 -5.472 54 H TYR 6 H TYR 6 -4.058 -1.762 -1.378 55 HA TYR 6 HA TYR 6 -3.114 -3.472 0.799 56 1HB TYR 6 2HB TYR 6 -5.165 -2.033 1.849 57 2HB TYR 6 1HB TYR 6 -3.485 -1.506 1.844 58 HD1 TYR 6 HD1 TYR 6 -3.003 0.598 1.018 59 HD2 TYR 6 HD2 TYR 6 -6.518 -1.372 -0.360 60 HE1 TYR 6 HE1 TYR 6 -3.627 2.612 -0.255 61 HE2 TYR 6 HE2 TYR 6 -7.151 0.634 -1.629 62 HH TYR 6 HH TYR 6 -6.723 3.056 -1.555 63 H GLY 7 H GLY 7 -4.444 -4.623 -1.501 64 1HA GLY 7 2HA GLY 7 -5.964 -6.297 -1.884 65 2HA GLY 7 1HA GLY 7 -6.274 -6.313 -0.154 66 H SER 8 H SER 8 -8.465 -6.733 -0.746 67 HA SER 8 HA SER 8 -10.643 -6.249 -0.947 68 1HB SER 8 2HB SER 8 -11.476 -4.077 -0.271 69 2HB SER 8 1HB SER 8 -10.161 -4.573 0.788 70 HG SER 8 HG SER 8 -8.811 -3.237 -0.690 71 H LEU 9 H LEU 9 -8.751 -3.911 -2.823 72 HA LEU 9 HA LEU 9 -10.811 -3.025 -4.485 73 1HB LEU 9 2HB LEU 9 -7.848 -2.972 -4.574 74 2HB LEU 9 1HB LEU 9 -8.705 -2.606 -6.056 75 HG LEU 9 HG LEU 9 -9.855 -0.749 -4.953 76 1HD1 LEU 9 1HD1 LEU 9 -9.156 -0.019 -2.716 77 2HD1 LEU 9 2HD1 LEU 9 -8.204 -1.494 -2.545 78 3HD1 LEU 9 3HD1 LEU 9 -9.961 -1.587 -2.682 79 1HD2 LEU 9 1HD2 LEU 9 -7.744 -0.346 -6.076 80 2HD2 LEU 9 2HD2 LEU 9 -6.872 -0.710 -4.588 81 3HD2 LEU 9 3HD2 LEU 9 -7.920 0.706 -4.673 82 H ARG 10 H ARG 10 -9.198 -6.016 -4.518 83 HA ARG 10 HA ARG 10 -9.111 -6.728 -7.183 84 1HB ARG 10 2HB ARG 10 -9.722 -8.409 -4.759 85 2HB ARG 10 1HB ARG 10 -9.520 -9.093 -6.365 86 1HG ARG 10 2HG ARG 10 -7.244 -8.084 -6.437 87 2HG ARG 10 1HG ARG 10 -7.465 -7.603 -4.753 88 1HD ARG 10 2HD ARG 10 -7.713 -9.908 -4.082 89 2HD ARG 10 1HD ARG 10 -7.652 -10.440 -5.762 90 HE ARG 10 HE ARG 10 -5.316 -8.967 -5.061 91 1HH1 ARG 10 1HH1 ARG 10 -6.818 -12.127 -4.674 92 2HH1 ARG 10 2HH1 ARG 10 -5.297 -12.949 -4.482 93 1HH2 ARG 10 1HH2 ARG 10 -3.360 -10.042 -4.858 94 2HH2 ARG 10 2HH2 ARG 10 -3.318 -11.767 -4.602 95 H HIS 11 H HIS 11 -11.917 -6.129 -5.293 96 HA HIS 11 HA HIS 11 -13.881 -7.633 -6.559 97 1HB HIS 11 2HB HIS 11 -14.306 -6.191 -4.607 98 2HB HIS 11 1HB HIS 11 -14.072 -4.763 -5.607 99 HD1 HIS 11 HD1 HIS 11 -16.552 -7.424 -4.777 100 HD2 HIS 11 HD2 HIS 11 -16.229 -4.130 -7.303 101 HE1 HIS 11 HE1 HIS 11 -18.880 -6.992 -5.640 102 HE2 HIS 11 HE2 HIS 11 -18.672 -4.966 -7.131 103 H LYS 12 H LYS 12 -12.689 -4.401 -7.464 104 HA LYS 12 HA LYS 12 -13.159 -5.081 -10.269 105 1HB LYS 12 2HB LYS 12 -14.192 -2.600 -8.898 106 2HB LYS 12 1HB LYS 12 -13.905 -2.652 -10.631 107 1HG LYS 12 2HG LYS 12 -15.463 -4.609 -10.737 108 2HG LYS 12 1HG LYS 12 -15.862 -4.299 -9.048 109 1HD LYS 12 2HD LYS 12 -16.637 -2.060 -9.627 110 2HD LYS 12 1HD LYS 12 -16.184 -2.328 -11.310 111 1HE LYS 12 2HE LYS 12 -17.796 -4.185 -11.423 112 2HE LYS 12 1HE LYS 12 -18.268 -3.858 -9.758 113 1HZ LYS 12 1HZ LYS 12 -19.834 -2.834 -11.207 114 2HZ LYS 12 2HZ LYS 12 -18.617 -2.059 -12.094 115 3HZ LYS 12 3HZ LYS 12 -18.919 -1.600 -10.489 116 H GLN 13 H GLN 13 -11.415 -4.667 -11.442 117 HA GLN 13 HA GLN 13 -9.455 -2.727 -10.476 118 1HB GLN 13 2HB GLN 13 -9.120 -5.234 -9.680 119 2HB GLN 13 1HB GLN 13 -8.472 -5.414 -11.303 120 1HG GLN 13 2HG GLN 13 -6.589 -4.991 -10.065 121 2HG GLN 13 1HG GLN 13 -6.993 -3.393 -10.686 122 1HE2 GLN 13 1HE2 GLN 13 -9.252 -3.112 -8.795 123 2HE2 GLN 13 2HE2 GLN 13 -8.523 -2.774 -7.271 124 H GLY 14 H GLY 14 -10.044 -5.196 -12.925 125 1HA GLY 14 2HA GLY 14 -8.434 -3.761 -14.838 126 2HA GLY 14 1HA GLY 14 -9.275 -5.274 -15.084 127 H ASN 15 H ASN 15 -10.094 -1.898 -14.411 128 HA ASN 15 HA ASN 15 -11.850 -1.923 -16.770 129 1HB ASN 15 2HB ASN 15 -13.616 -0.796 -15.605 130 2HB ASN 15 1HB ASN 15 -13.175 -2.193 -14.630 131 1HD2 ASN 15 1HD2 ASN 15 -14.488 0.309 -13.895 132 2HD2 ASN 15 2HD2 ASN 15 -13.528 0.996 -12.634 133 H SER 16 H SER 16 -9.191 -0.710 -15.480 134 HA SER 16 HA SER 16 -9.225 1.752 -16.922 135 1HB SER 16 2HB SER 16 -8.848 3.186 -14.881 136 2HB SER 16 1HB SER 16 -10.488 2.552 -15.023 137 HG SER 16 HG SER 16 -10.066 1.080 -13.437 138 H HIS 17 H HIS 17 -7.136 3.084 -15.794 139 HA HIS 17 HA HIS 17 -4.940 1.479 -16.645 140 1HB HIS 17 2HB HIS 17 -4.767 4.061 -15.064 141 2HB HIS 17 1HB HIS 17 -3.535 3.368 -16.110 142 HD1 HIS 17 HD1 HIS 17 -6.031 5.908 -16.047 143 HD2 HIS 17 HD2 HIS 17 -4.509 3.346 -18.956 144 HE1 HIS 17 HE1 HIS 17 -6.636 6.947 -18.258 145 HE2 HIS 17 HE2 HIS 17 -5.510 5.498 -19.985 146 H TRP 18 H TRP 18 -6.542 1.730 -13.669 147 HA TRP 18 HA TRP 18 -4.426 1.452 -11.854 148 1HB TRP 18 2HB TRP 18 -6.740 1.990 -11.174 149 2HB TRP 18 1HB TRP 18 -7.238 0.355 -11.603 150 HD1 TRP 18 HD1 TRP 18 -7.293 -1.266 -9.638 151 HE1 TRP 18 HE1 TRP 18 -6.154 -1.430 -7.339 152 HE3 TRP 18 HE3 TRP 18 -4.252 2.832 -9.942 153 HZ2 TRP 18 HZ2 TRP 18 -4.232 -0.010 -5.847 154 HZ3 TRP 18 HZ3 TRP 18 -2.793 3.357 -8.033 155 HH2 TRP 18 HH2 TRP 18 -2.785 1.963 -6.029 156 H MET 19 H MET 19 -6.389 -1.018 -13.512 157 HA MET 19 HA MET 19 -4.181 -2.879 -12.983 158 1HB MET 19 2HB MET 19 -6.677 -3.452 -12.432 159 2HB MET 19 1HB MET 19 -6.792 -3.760 -14.158 160 1HG MET 19 2HG MET 19 -4.827 -5.090 -12.304 161 2HG MET 19 1HG MET 19 -6.367 -5.781 -12.804 162 1HE MET 19 1HE MET 19 -3.604 -7.308 -13.100 163 2HE MET 19 2HE MET 19 -3.773 -7.988 -14.721 164 3HE MET 19 3HE MET 19 -5.148 -7.976 -13.616 165 H THR 20 H THR 20 -6.433 -3.345 -15.590 166 HA THR 20 HA THR 20 -5.998 -4.052 -17.706 167 HB THR 20 HB THR 20 -4.672 -1.342 -17.796 168 HG1 THR 20 HG1 THR 20 -6.665 -0.746 -17.374 169 1HG2 THR 20 1HG2 THR 20 -5.875 -3.033 -19.997 170 2HG2 THR 20 2HG2 THR 20 -4.164 -2.651 -19.795 171 3HG2 THR 20 3HG2 THR 20 -5.315 -1.370 -20.175 172 H ASN 21 H ASN 21 -2.966 -2.246 -17.233 173 HA ASN 21 HA ASN 21 -1.506 -4.437 -18.501 174 1HB ASN 21 2HB ASN 21 -0.549 -1.690 -17.661 175 2HB ASN 21 1HB ASN 21 0.290 -2.816 -18.723 176 1HD2 ASN 21 1HD2 ASN 21 -0.955 -0.023 -18.949 177 2HD2 ASN 21 2HD2 ASN 21 -1.879 -0.116 -20.413 178 H ALA 22 H ALA 22 -2.330 -3.460 -15.446 179 HA ALA 22 HA ALA 22 -0.019 -3.517 -13.923 180 1HB ALA 22 1HB ALA 22 -1.437 -3.927 -12.017 181 2HB ALA 22 2HB ALA 22 -2.743 -4.469 -13.071 182 3HB ALA 22 3HB ALA 22 -2.222 -2.786 -13.111 183 H GLN 23 H GLN 23 1.195 -4.995 -12.996 184 HA GLN 23 HA GLN 23 0.469 -7.833 -13.283 185 1HB GLN 23 2HB GLN 23 2.298 -7.338 -14.796 186 2HB GLN 23 1HB GLN 23 3.191 -6.532 -13.515 187 1HG GLN 23 2HG GLN 23 3.371 -8.689 -12.329 188 2HG GLN 23 1HG GLN 23 2.547 -9.469 -13.679 189 1HE2 GLN 23 1HE2 GLN 23 5.243 -9.892 -12.599 190 2HE2 GLN 23 2HE2 GLN 23 6.320 -9.637 -13.928 191 H LEU 24 H LEU 24 0.098 -8.715 -11.339 192 HA LEU 24 HA LEU 24 0.954 -7.587 -8.895 193 1HB LEU 24 2HB LEU 24 -0.929 -9.096 -8.925 194 2HB LEU 24 1HB LEU 24 0.063 -10.393 -9.565 195 HG LEU 24 HG LEU 24 1.352 -10.424 -7.451 196 1HD1 LEU 24 1HD1 LEU 24 1.021 -8.117 -6.761 197 2HD1 LEU 24 2HD1 LEU 24 0.490 -9.230 -5.500 198 3HD1 LEU 24 3HD1 LEU 24 -0.700 -8.423 -6.520 199 1HD2 LEU 24 1HD2 LEU 24 -0.392 -11.446 -6.078 200 2HD2 LEU 24 2HD2 LEU 24 -0.513 -11.951 -7.763 201 3HD2 LEU 24 3HD2 LEU 24 -1.626 -10.741 -7.124 202 H LEU 25 H LEU 25 3.019 -7.298 -8.502 203 HA LEU 25 HA LEU 25 5.108 -8.916 -9.508 204 1HB LEU 25 2HB LEU 25 5.007 -6.899 -7.269 205 2HB LEU 25 1HB LEU 25 6.482 -7.636 -7.844 206 HG LEU 25 HG LEU 25 4.637 -5.884 -9.462 207 1HD1 LEU 25 1HD1 LEU 25 5.902 -4.667 -7.769 208 2HD1 LEU 25 2HD1 LEU 25 6.465 -4.284 -9.395 209 3HD1 LEU 25 3HD1 LEU 25 7.401 -5.376 -8.374 210 1HD2 LEU 25 1HD2 LEU 25 7.269 -7.170 -10.196 211 2HD2 LEU 25 2HD2 LEU 25 6.399 -5.986 -11.172 212 3HD2 LEU 25 3HD2 LEU 25 5.686 -7.569 -10.865 213 H GLY 26 H GLY 26 3.400 -8.747 -6.459 214 1HA GLY 26 2HA GLY 26 3.281 -11.385 -5.872 215 2HA GLY 26 1HA GLY 26 4.866 -10.916 -5.262 216 H ASP 27 H ASP 27 2.727 -11.846 -3.638 217 HA ASP 27 HA ASP 27 1.472 -9.643 -2.329 218 1HB ASP 27 2HB ASP 27 2.168 -12.262 -1.010 219 2HB ASP 27 1HB ASP 27 0.901 -11.146 -0.556 220 H PHE 28 H PHE 28 2.098 -8.581 -0.480 221 HA PHE 28 HA PHE 28 4.799 -9.114 0.523 222 1HB PHE 28 2HB PHE 28 5.039 -7.393 -1.206 223 2HB PHE 28 1HB PHE 28 3.836 -6.399 -0.397 224 HD1 PHE 28 HD1 PHE 28 4.972 -4.501 0.224 225 HD2 PHE 28 HD2 PHE 28 6.681 -8.301 1.064 226 HE1 PHE 28 HE1 PHE 28 6.736 -3.408 1.536 227 HE2 PHE 28 HE2 PHE 28 8.454 -7.214 2.386 228 HZ PHE 28 HZ PHE 28 8.475 -4.762 2.627 229 H SER 29 H SER 29 4.589 -9.439 2.610 230 HA SER 29 HA SER 29 2.565 -7.957 4.110 231 1HB SER 29 2HB SER 29 3.230 -9.678 5.918 232 2HB SER 29 1HB SER 29 2.330 -10.263 4.518 233 HG SER 29 HG SER 29 4.165 -11.570 5.060 234 H ILE 30 H ILE 30 3.100 -6.425 5.531 235 HA ILE 30 HA ILE 30 5.953 -6.124 6.207 236 HB ILE 30 HB ILE 30 5.415 -3.676 6.520 237 1HG1 ILE 30 2HG1 ILE 30 2.919 -4.514 5.042 238 2HG1 ILE 30 1HG1 ILE 30 3.002 -3.780 6.638 239 1HG2 ILE 30 1HG2 ILE 30 6.675 -4.478 4.625 240 2HG2 ILE 30 2HG2 ILE 30 5.595 -3.173 4.130 241 3HG2 ILE 30 3HG2 ILE 30 5.182 -4.848 3.760 242 1HD1 ILE 30 1HD1 ILE 30 2.288 -2.167 4.989 243 2HD1 ILE 30 2HD1 ILE 30 3.739 -2.465 4.032 244 3HD1 ILE 30 3HD1 ILE 30 3.871 -1.723 5.628 245 H ASP 31 H ASP 31 6.488 -6.058 8.274 246 HA ASP 31 HA ASP 31 4.374 -6.555 10.205 247 1HB ASP 31 2HB ASP 31 7.363 -6.874 10.257 248 2HB ASP 31 1HB ASP 31 6.416 -6.944 11.735 249 H ASN 32 H ASN 32 4.219 -5.478 12.162 250 HA ASN 32 HA ASN 32 4.092 -3.710 13.549 251 1HB ASN 32 2HB ASN 32 6.585 -2.803 12.110 252 2HB ASN 32 1HB ASN 32 5.880 -1.948 13.479 253 1HD2 ASN 32 1HD2 ASN 32 8.477 -3.240 13.200 254 2HD2 ASN 32 2HD2 ASN 32 8.562 -4.416 14.471 255 H TYR 33 H TYR 33 2.682 -3.836 11.027 256 HA TYR 33 HA TYR 33 1.905 -1.001 10.983 257 1HB TYR 33 2HB TYR 33 2.007 -2.771 8.527 258 2HB TYR 33 1HB TYR 33 1.376 -1.134 8.586 259 HD1 TYR 33 HD1 TYR 33 2.909 0.779 8.845 260 HD2 TYR 33 HD2 TYR 33 4.367 -3.188 8.432 261 HE1 TYR 33 HE1 TYR 33 5.138 1.661 8.292 262 HE2 TYR 33 HE2 TYR 33 6.595 -2.325 7.878 263 HH TYR 33 HH TYR 33 7.440 0.986 8.293 264 H GLN 34 H GLN 34 -0.349 -0.660 10.491 265 HA GLN 34 HA GLN 34 -2.025 -3.052 10.926 266 1HB GLN 34 2HB GLN 34 -2.489 -0.339 12.181 267 2HB GLN 34 1HB GLN 34 -3.440 -1.796 12.447 268 1HG GLN 34 2HG GLN 34 -1.588 -2.857 13.549 269 2HG GLN 34 1HG GLN 34 -0.535 -1.495 13.167 270 1HE2 GLN 34 1HE2 GLN 34 -0.859 0.474 14.232 271 2HE2 GLN 34 2HE2 GLN 34 -1.699 0.554 15.744 272 H LEU 35 H LEU 35 -4.263 -2.795 10.187 273 HA LEU 35 HA LEU 35 -4.359 -0.967 7.871 274 1HB LEU 35 2HB LEU 35 -4.227 -3.501 7.497 275 2HB LEU 35 1HB LEU 35 -5.866 -3.566 8.112 276 HG LEU 35 HG LEU 35 -6.532 -1.983 6.269 277 1HD1 LEU 35 1HD1 LEU 35 -3.759 -2.616 5.266 278 2HD1 LEU 35 2HD1 LEU 35 -4.339 -1.039 5.799 279 3HD1 LEU 35 3HD1 LEU 35 -5.018 -1.785 4.353 280 1HD2 LEU 35 1HD2 LEU 35 -6.521 -3.709 4.534 281 2HD2 LEU 35 2HD2 LEU 35 -6.957 -4.371 6.107 282 3HD2 LEU 35 3HD2 LEU 35 -5.338 -4.632 5.458 283 H TYR 36 H TYR 36 -5.990 0.468 7.793 284 HA TYR 36 HA TYR 36 -8.139 0.256 9.780 285 1HB TYR 36 2HB TYR 36 -7.257 2.575 8.056 286 2HB TYR 36 1HB TYR 36 -8.618 2.626 9.172 287 HD1 TYR 36 HD1 TYR 36 -8.135 2.135 11.631 288 HD2 TYR 36 HD2 TYR 36 -5.119 3.083 8.790 289 HE1 TYR 36 HE1 TYR 36 -6.601 2.727 13.465 290 HE2 TYR 36 HE2 TYR 36 -3.573 3.691 10.600 291 HH TYR 36 HH TYR 36 -4.006 4.533 13.196 292 H SER 37 H SER 37 -10.172 -0.173 9.251 293 HA SER 37 HA SER 37 -10.907 -0.259 6.415 294 1HB SER 37 2HB SER 37 -12.445 -1.275 8.819 295 2HB SER 37 1HB SER 37 -12.799 -1.603 7.122 296 HG SER 37 HG SER 37 -10.286 -2.294 7.537 297 H LEU 38 H LEU 38 -11.457 1.769 5.807 298 HA LEU 38 HA LEU 38 -13.478 3.141 7.446 299 1HB LEU 38 2HB LEU 38 -12.644 5.262 6.354 300 2HB LEU 38 1HB LEU 38 -11.600 4.525 7.550 301 HG LEU 38 HG LEU 38 -11.085 3.834 4.705 302 1HD1 LEU 38 1HD1 LEU 38 -10.356 6.499 5.922 303 2HD1 LEU 38 2HD1 LEU 38 -11.512 6.247 4.615 304 3HD1 LEU 38 3HD1 LEU 38 -9.806 5.880 4.365 305 1HD2 LEU 38 1HD2 LEU 38 -8.775 3.932 5.495 306 2HD2 LEU 38 2HD2 LEU 38 -9.749 2.890 6.531 307 3HD2 LEU 38 3HD2 LEU 38 -9.327 4.517 7.064 308 H GLY 39 H GLY 39 -13.467 1.270 4.939 309 1HA GLY 39 2HA GLY 39 -15.153 0.935 3.387 310 2HA GLY 39 1HA GLY 39 -15.814 2.506 3.813 311 H HIS 40 H HIS 40 -13.877 4.254 3.222 312 HA HIS 40 HA HIS 40 -14.024 4.547 0.441 313 1HB HIS 40 2HB HIS 40 -13.554 6.358 2.184 314 2HB HIS 40 1HB HIS 40 -11.886 5.801 2.172 315 HD1 HIS 40 HD1 HIS 40 -10.720 7.732 1.036 316 HD2 HIS 40 HD2 HIS 40 -14.103 6.470 -1.018 317 HE1 HIS 40 HE1 HIS 40 -10.743 9.048 -1.102 318 HE2 HIS 40 HE2 HIS 40 -12.932 8.453 -2.200 319 H TYR 41 H TYR 41 -11.456 3.331 2.513 320 HA TYR 41 HA TYR 41 -10.510 1.467 0.635 321 1HB TYR 41 2HB TYR 41 -8.445 2.400 -0.086 322 2HB TYR 41 1HB TYR 41 -9.623 3.685 -0.340 323 HD1 TYR 41 HD1 TYR 41 -6.488 2.879 1.024 324 HD2 TYR 41 HD2 TYR 41 -9.868 5.384 1.663 325 HE1 TYR 41 HE1 TYR 41 -5.115 4.356 2.423 326 HE2 TYR 41 HE2 TYR 41 -8.494 6.872 3.062 327 HH TYR 41 HH TYR 41 -5.070 6.594 3.232 328 HA PRO 42 HA PRO 42 -8.603 0.145 4.505 329 1HB PRO 42 2HB PRO 42 -6.615 -1.312 2.902 330 2HB PRO 42 1HB PRO 42 -7.820 -1.940 4.031 331 1HG PRO 42 2HG PRO 42 -8.038 -2.303 1.379 332 2HG PRO 42 1HG PRO 42 -9.458 -2.071 2.414 333 1HD PRO 42 2HD PRO 42 -8.071 -0.099 0.635 334 2HD PRO 42 1HD PRO 42 -9.812 -0.367 0.875 335 H GLY 43 H GLY 43 -7.487 1.723 5.500 336 1HA GLY 43 2HA GLY 43 -5.108 2.867 4.245 337 2HA GLY 43 1HA GLY 43 -5.879 3.436 5.722 338 H ALA 44 H ALA 44 -3.086 3.064 5.543 339 HA ALA 44 HA ALA 44 -2.741 0.864 7.438 340 1HB ALA 44 1HB ALA 44 -1.064 1.138 4.945 341 2HB ALA 44 2HB ALA 44 -2.267 -0.115 5.255 342 3HB ALA 44 3HB ALA 44 -0.808 -0.028 6.243 343 H VAL 45 H VAL 45 -1.163 1.179 8.948 344 HA VAL 45 HA VAL 45 0.663 3.451 8.672 345 HB VAL 45 HB VAL 45 0.094 4.417 10.826 346 1HG1 VAL 45 1HG1 VAL 45 -1.038 5.391 8.965 347 2HG1 VAL 45 2HG1 VAL 45 -2.160 5.321 10.326 348 3HG1 VAL 45 3HG1 VAL 45 -2.290 4.149 9.011 349 1HG2 VAL 45 1HG2 VAL 45 -1.894 3.693 12.080 350 2HG2 VAL 45 2HG2 VAL 45 -0.666 2.429 11.976 351 3HG2 VAL 45 3HG2 VAL 45 -2.100 2.350 10.952 352 HA PRO 46 HA PRO 46 3.345 0.869 11.174 353 1HB PRO 46 2HB PRO 46 4.157 3.231 12.726 354 2HB PRO 46 1HB PRO 46 5.129 2.195 11.678 355 1HG PRO 46 2HG PRO 46 4.484 4.705 10.976 356 2HG PRO 46 1HG PRO 46 4.609 3.402 9.780 357 1HD PRO 46 2HD PRO 46 2.163 4.606 11.023 358 2HD PRO 46 1HD PRO 46 2.450 4.126 9.335 359 H GLY 47 H GLY 47 3.319 -0.169 13.143 360 1HA GLY 47 2HA GLY 47 2.428 0.789 15.587 361 2HA GLY 47 1HA GLY 47 1.005 0.165 14.764 362 H ASN 48 H ASN 48 0.572 -1.933 14.992 363 HA ASN 48 HA ASN 48 2.724 -3.825 15.461 364 1HB ASN 48 2HB ASN 48 2.042 -2.974 17.714 365 2HB ASN 48 1HB ASN 48 0.417 -3.571 17.405 366 1HD2 ASN 48 1HD2 ASN 48 3.640 -4.382 18.292 367 2HD2 ASN 48 2HD2 ASN 48 3.355 -6.067 18.605 368 H GLY 49 H GLY 49 2.170 -4.745 13.512 369 1HA GLY 49 2HA GLY 49 0.333 -6.860 13.591 370 2HA GLY 49 1HA GLY 49 -0.403 -5.531 12.699 371 H THR 50 H THR 50 -0.063 -7.682 11.191 372 HA THR 50 HA THR 50 2.315 -6.983 9.594 373 HB THR 50 HB THR 50 1.072 -9.736 9.668 374 HG1 THR 50 HG1 THR 50 3.558 -9.229 10.877 375 1HG2 THR 50 1HG2 THR 50 3.739 -8.726 8.665 376 2HG2 THR 50 2HG2 THR 50 2.370 -9.196 7.660 377 3HG2 THR 50 3HG2 THR 50 3.199 -10.404 8.643 378 H VAL 51 H VAL 51 1.523 -5.789 7.957 379 HA VAL 51 HA VAL 51 -1.132 -6.323 6.916 380 HB VAL 51 HB VAL 51 0.887 -4.225 6.071 381 1HG1 VAL 51 1HG1 VAL 51 -0.990 -3.155 4.923 382 2HG1 VAL 51 2HG1 VAL 51 -2.037 -4.501 5.373 383 3HG1 VAL 51 3HG1 VAL 51 -0.682 -4.766 4.276 384 1HG2 VAL 51 1HG2 VAL 51 -0.575 -2.657 7.269 385 2HG2 VAL 51 2HG2 VAL 51 0.130 -3.862 8.347 386 3HG2 VAL 51 3HG2 VAL 51 -1.552 -4.012 7.835 387 H HIS 52 H HIS 52 -1.230 -8.067 5.641 388 HA HIS 52 HA HIS 52 0.888 -8.459 3.689 389 1HB HIS 52 2HB HIS 52 -0.452 -10.637 3.232 390 2HB HIS 52 1HB HIS 52 0.574 -10.512 4.633 391 HD1 HIS 52 HD1 HIS 52 -2.586 -11.728 3.666 392 HD2 HIS 52 HD2 HIS 52 -1.081 -9.831 7.055 393 HE1 HIS 52 HE1 HIS 52 -4.108 -12.394 5.553 394 HE2 HIS 52 HE2 HIS 52 -3.074 -11.382 7.623 395 H GLY 53 H GLY 53 0.583 -7.058 2.137 396 1HA GLY 53 2HA GLY 53 -2.046 -7.056 0.793 397 2HA GLY 53 1HA GLY 53 -0.990 -5.653 0.881 398 H GLU 54 H GLU 54 -0.948 -5.429 -1.363 399 HA GLU 54 HA GLU 54 0.436 -7.584 -2.829 400 1HB GLU 54 2HB GLU 54 -1.777 -5.824 -3.888 401 2HB GLU 54 1HB GLU 54 -0.990 -7.143 -4.738 402 1HG GLU 54 2HG GLU 54 -1.990 -8.763 -3.313 403 2HG GLU 54 1HG GLU 54 -2.592 -7.513 -2.224 404 H VAL 55 H VAL 55 2.319 -6.862 -3.697 405 HA VAL 55 HA VAL 55 2.578 -4.014 -4.351 406 HB VAL 55 HB VAL 55 4.631 -6.228 -4.566 407 1HG1 VAL 55 1HG1 VAL 55 4.937 -3.240 -4.880 408 2HG1 VAL 55 2HG1 VAL 55 5.116 -4.450 -6.152 409 3HG1 VAL 55 3HG1 VAL 55 6.267 -4.398 -4.813 410 1HG2 VAL 55 1HG2 VAL 55 4.322 -4.028 -2.527 411 2HG2 VAL 55 2HG2 VAL 55 5.635 -5.205 -2.592 412 3HG2 VAL 55 3HG2 VAL 55 3.987 -5.740 -2.262 413 H TYR 56 H TYR 56 2.052 -3.275 -6.302 414 HA TYR 56 HA TYR 56 2.012 -5.198 -8.546 415 1HB TYR 56 2HB TYR 56 0.154 -2.966 -7.795 416 2HB TYR 56 1HB TYR 56 0.342 -3.389 -9.489 417 HD1 TYR 56 HD1 TYR 56 -0.848 -5.167 -10.409 418 HD2 TYR 56 HD2 TYR 56 -0.597 -4.784 -6.184 419 HE1 TYR 56 HE1 TYR 56 -2.537 -6.934 -10.158 420 HE2 TYR 56 HE2 TYR 56 -2.283 -6.545 -5.919 421 HH TYR 56 HH TYR 56 -3.774 -7.828 -6.938 422 H ARG 57 H ARG 57 2.785 -4.599 -10.514 423 HA ARG 57 HA ARG 57 4.086 -1.971 -10.723 424 1HB ARG 57 2HB ARG 57 5.565 -3.908 -11.143 425 2HB ARG 57 1HB ARG 57 4.484 -4.449 -12.421 426 1HG ARG 57 2HG ARG 57 4.965 -2.486 -13.728 427 2HG ARG 57 1HG ARG 57 5.943 -1.814 -12.423 428 1HD ARG 57 2HD ARG 57 7.390 -2.757 -14.100 429 2HD ARG 57 1HD ARG 57 7.481 -3.735 -12.638 430 HE ARG 57 HE ARG 57 5.545 -4.760 -14.468 431 1HH1 ARG 57 1HH1 ARG 57 8.993 -4.539 -13.903 432 2HH1 ARG 57 2HH1 ARG 57 9.349 -6.045 -14.698 433 1HH2 ARG 57 1HH2 ARG 57 6.018 -6.752 -15.520 434 2HH2 ARG 57 2HH2 ARG 57 7.667 -7.299 -15.605 435 H ILE 58 H ILE 58 2.909 -0.502 -11.735 436 HA ILE 58 HA ILE 58 1.140 -1.347 -13.932 437 HB ILE 58 HB ILE 58 -0.597 0.129 -13.281 438 1HG1 ILE 58 2HG1 ILE 58 0.923 1.977 -12.475 439 2HG1 ILE 58 1HG1 ILE 58 -0.533 1.731 -11.521 440 1HG2 ILE 58 1HG2 ILE 58 -0.618 -1.972 -12.091 441 2HG2 ILE 58 2HG2 ILE 58 -1.256 -0.685 -11.070 442 3HG2 ILE 58 3HG2 ILE 58 0.381 -1.285 -10.810 443 1HD1 ILE 58 1HD1 ILE 58 0.817 0.485 -9.871 444 2HD1 ILE 58 2HD1 ILE 58 1.315 2.163 -10.072 445 3HD1 ILE 58 3HD1 ILE 58 2.260 0.873 -10.811 446 H ASP 59 H ASP 59 0.443 0.728 -15.220 447 HA ASP 59 HA ASP 59 2.647 1.963 -16.367 448 1HB ASP 59 2HB ASP 59 -0.197 2.982 -16.178 449 2HB ASP 59 1HB ASP 59 1.038 3.673 -17.224 450 H ASN 60 H ASN 60 3.730 3.894 -16.070 451 HA ASN 60 HA ASN 60 3.910 5.015 -13.491 452 1HB ASN 60 2HB ASN 60 4.701 6.089 -16.212 453 2HB ASN 60 1HB ASN 60 5.023 6.964 -14.721 454 1HD2 ASN 60 1HD2 ASN 60 7.231 6.854 -15.051 455 2HD2 ASN 60 2HD2 ASN 60 8.127 5.382 -14.834 456 H ALA 61 H ALA 61 1.983 5.804 -16.309 457 HA ALA 61 HA ALA 61 1.002 8.311 -15.538 458 1HB ALA 61 1HB ALA 61 -0.294 6.221 -17.276 459 2HB ALA 61 2HB ALA 61 0.827 7.473 -17.809 460 3HB ALA 61 3HB ALA 61 -0.762 7.919 -17.187 461 H THR 62 H THR 62 -0.036 5.065 -14.673 462 HA THR 62 HA THR 62 -2.576 5.607 -13.683 463 HB THR 62 HB THR 62 -0.591 3.640 -12.522 464 HG1 THR 62 HG1 THR 62 -2.166 2.363 -14.128 465 1HG2 THR 62 1HG2 THR 62 -2.615 3.976 -11.163 466 2HG2 THR 62 2HG2 THR 62 -2.572 2.368 -11.885 467 3HG2 THR 62 3HG2 THR 62 -3.612 3.615 -12.572 468 H LEU 63 H LEU 63 0.581 5.994 -12.165 469 HA LEU 63 HA LEU 63 -0.402 6.688 -9.584 470 1HB LEU 63 2HB LEU 63 1.914 5.896 -9.950 471 2HB LEU 63 1HB LEU 63 2.259 7.366 -10.844 472 HG LEU 63 HG LEU 63 1.690 8.657 -8.744 473 1HD1 LEU 63 1HD1 LEU 63 0.413 6.873 -7.647 474 2HD1 LEU 63 2HD1 LEU 63 1.722 7.477 -6.633 475 3HD1 LEU 63 3HD1 LEU 63 1.895 5.933 -7.469 476 1HD2 LEU 63 1HD2 LEU 63 3.989 8.296 -9.445 477 2HD2 LEU 63 2HD2 LEU 63 4.013 6.737 -8.622 478 3HD2 LEU 63 3HD2 LEU 63 3.852 8.226 -7.690 479 H ALA 64 H ALA 64 0.774 8.494 -12.377 480 HA ALA 64 HA ALA 64 0.425 11.082 -11.376 481 1HB ALA 64 1HB ALA 64 1.648 10.574 -13.443 482 2HB ALA 64 2HB ALA 64 0.409 11.803 -13.701 483 3HB ALA 64 3HB ALA 64 0.129 10.144 -14.228 484 H GLU 65 H GLU 65 -1.837 8.785 -12.734 485 HA GLU 65 HA GLU 65 -3.998 10.678 -12.959 486 1HB GLU 65 2HB GLU 65 -3.925 8.699 -14.390 487 2HB GLU 65 1HB GLU 65 -4.020 7.654 -12.982 488 1HG GLU 65 2HG GLU 65 -6.253 8.276 -12.550 489 2HG GLU 65 1HG GLU 65 -6.162 9.644 -13.657 490 H LEU 66 H LEU 66 -3.044 8.186 -10.641 491 HA LEU 66 HA LEU 66 -5.254 8.463 -8.922 492 1HB LEU 66 2HB LEU 66 -3.722 6.539 -8.877 493 2HB LEU 66 1HB LEU 66 -2.439 7.577 -8.283 494 HG LEU 66 HG LEU 66 -4.952 7.360 -6.675 495 1HD1 LEU 66 1HD1 LEU 66 -4.402 5.049 -7.202 496 2HD1 LEU 66 2HD1 LEU 66 -4.035 5.411 -5.514 497 3HD1 LEU 66 3HD1 LEU 66 -2.732 5.318 -6.699 498 1HD2 LEU 66 1HD2 LEU 66 -3.378 7.625 -4.828 499 2HD2 LEU 66 2HD2 LEU 66 -3.208 8.929 -6.004 500 3HD2 LEU 66 3HD2 LEU 66 -2.030 7.617 -5.969 501 H ASP 67 H ASP 67 -2.072 10.033 -8.952 502 HA ASP 67 HA ASP 67 -2.353 11.546 -6.613 503 1HB ASP 67 2HB ASP 67 -0.685 11.717 -9.055 504 2HB ASP 67 1HB ASP 67 -0.854 13.207 -8.131 505 H ALA 68 H ALA 68 -3.122 12.419 -9.967 506 HA ALA 68 HA ALA 68 -4.036 15.007 -9.487 507 1HB ALA 68 1HB ALA 68 -3.546 14.155 -11.719 508 2HB ALA 68 2HB ALA 68 -5.168 14.844 -11.640 509 3HB ALA 68 3HB ALA 68 -4.950 13.094 -11.626 510 H LEU 69 H LEU 69 -5.629 11.932 -9.045 511 HA LEU 69 HA LEU 69 -8.201 13.173 -8.607 512 1HB LEU 69 2HB LEU 69 -7.181 10.366 -8.580 513 2HB LEU 69 1HB LEU 69 -8.737 10.739 -7.864 514 HG LEU 69 HG LEU 69 -7.974 11.277 -10.736 515 1HD1 LEU 69 1HD1 LEU 69 -9.506 9.464 -11.271 516 2HD1 LEU 69 2HD1 LEU 69 -9.794 9.179 -9.554 517 3HD1 LEU 69 3HD1 LEU 69 -8.196 8.885 -10.241 518 1HD2 LEU 69 1HD2 LEU 69 -9.571 12.891 -9.889 519 2HD2 LEU 69 2HD2 LEU 69 -10.576 11.593 -9.245 520 3HD2 LEU 69 3HD2 LEU 69 -10.376 11.770 -10.991 521 H ARG 70 H ARG 70 -5.856 11.375 -6.611 522 HA ARG 70 HA ARG 70 -7.603 11.683 -4.326 523 1HB ARG 70 2HB ARG 70 -6.535 9.532 -4.737 524 2HB ARG 70 1HB ARG 70 -4.946 10.270 -4.618 525 1HG ARG 70 2HG ARG 70 -5.383 10.812 -2.269 526 2HG ARG 70 1HG ARG 70 -6.962 10.035 -2.394 527 1HD ARG 70 2HD ARG 70 -4.325 8.655 -2.895 528 2HD ARG 70 1HD ARG 70 -5.212 8.592 -1.373 529 HE ARG 70 HE ARG 70 -6.942 7.778 -3.421 530 1HH1 ARG 70 1HH1 ARG 70 -4.037 6.632 -1.813 531 2HH1 ARG 70 2HH1 ARG 70 -4.398 4.958 -2.089 532 1HH2 ARG 70 1HH2 ARG 70 -7.402 5.594 -3.792 533 2HH2 ARG 70 2HH2 ARG 70 -6.302 4.365 -3.236 534 H THR 71 H THR 71 -4.371 12.844 -5.293 535 HA THR 71 HA THR 71 -4.094 14.007 -2.613 536 HB THR 71 HB THR 71 -1.737 14.291 -3.084 537 HG1 THR 71 HG1 THR 71 -1.100 13.098 -5.201 538 1HG2 THR 71 1HG2 THR 71 -1.114 11.931 -3.262 539 2HG2 THR 71 2HG2 THR 71 -2.741 11.552 -3.832 540 3HG2 THR 71 3HG2 THR 71 -2.501 12.160 -2.195 541 H ARG 72 H ARG 72 -4.945 14.915 -5.735 542 HA ARG 72 HA ARG 72 -4.122 17.578 -5.882 543 1HB ARG 72 2HB ARG 72 -5.327 16.432 -7.692 544 2HB ARG 72 1HB ARG 72 -6.775 16.374 -6.703 545 1HG ARG 72 2HG ARG 72 -6.810 18.851 -6.696 546 2HG ARG 72 1HG ARG 72 -5.438 18.835 -7.808 547 1HD ARG 72 2HD ARG 72 -6.740 17.672 -9.469 548 2HD ARG 72 1HD ARG 72 -8.092 17.508 -8.348 549 HE ARG 72 HE ARG 72 -7.160 20.179 -9.149 550 1HH1 ARG 72 1HH1 ARG 72 -9.628 17.699 -9.214 551 2HH1 ARG 72 2HH1 ARG 72 -10.907 18.790 -9.651 552 1HH2 ARG 72 1HH2 ARG 72 -8.831 21.621 -9.767 553 2HH2 ARG 72 2HH2 ARG 72 -10.445 21.023 -9.981 554 H GLY 73 H GLY 73 -6.598 16.011 -3.999 555 1HA GLY 73 2HA GLY 73 -7.727 18.511 -3.077 556 2HA GLY 73 1HA GLY 73 -8.199 16.897 -2.562 557 H GLY 74 H GLY 74 -6.028 15.769 -1.556 558 1HA GLY 74 2HA GLY 74 -4.038 16.380 -0.203 559 2HA GLY 74 1HA GLY 74 -5.018 17.692 0.451 560 H GLU 75 H GLU 75 -5.429 14.231 -0.117 561 HA GLU 75 HA GLU 75 -7.117 14.106 2.229 562 1HB GLU 75 2HB GLU 75 -6.585 12.286 -0.082 563 2HB GLU 75 1HB GLU 75 -7.381 11.692 1.355 564 1HG GLU 75 2HG GLU 75 -9.019 13.616 1.043 565 2HG GLU 75 1HG GLU 75 -8.327 13.765 -0.574 566 H TYR 76 H TYR 76 -4.183 12.393 1.028 567 HA TYR 76 HA TYR 76 -3.854 11.402 3.780 568 1HB TYR 76 2HB TYR 76 -3.442 9.603 1.394 569 2HB TYR 76 1HB TYR 76 -3.547 9.150 3.094 570 HD1 TYR 76 HD1 TYR 76 -5.255 8.960 0.130 571 HD2 TYR 76 HD2 TYR 76 -5.902 10.109 4.178 572 HE1 TYR 76 HE1 TYR 76 -7.673 8.604 -0.159 573 HE2 TYR 76 HE2 TYR 76 -8.318 9.746 3.902 574 HH TYR 76 HH TYR 76 -9.923 9.840 1.620 575 H ALA 77 H ALA 77 -1.656 10.289 4.024 576 HA ALA 77 HA ALA 77 0.328 12.085 2.868 577 1HB ALA 77 1HB ALA 77 1.847 11.193 4.542 578 2HB ALA 77 2HB ALA 77 0.641 10.000 5.022 579 3HB ALA 77 3HB ALA 77 0.339 11.718 5.290 580 H ARG 78 H ARG 78 2.202 11.381 1.835 581 HA ARG 78 HA ARG 78 1.939 8.791 0.478 582 1HB ARG 78 2HB ARG 78 2.048 10.612 -1.058 583 2HB ARG 78 1HB ARG 78 3.411 11.327 -0.218 584 1HG ARG 78 2HG ARG 78 4.244 10.383 -2.210 585 2HG ARG 78 1HG ARG 78 4.755 9.324 -0.898 586 1HD ARG 78 2HD ARG 78 4.011 7.971 -2.723 587 2HD ARG 78 1HD ARG 78 2.830 7.846 -1.422 588 HE ARG 78 HE ARG 78 1.274 8.906 -2.754 589 1HH1 ARG 78 1HH1 ARG 78 4.420 9.109 -4.293 590 2HH1 ARG 78 2HH1 ARG 78 3.774 9.631 -5.814 591 1HH2 ARG 78 1HH2 ARG 78 0.437 9.561 -4.766 592 2HH2 ARG 78 2HH2 ARG 78 1.514 9.918 -6.086 593 H GLN 79 H GLN 79 3.407 7.254 0.726 594 HA GLN 79 HA GLN 79 5.955 7.858 2.059 595 1HB GLN 79 2HB GLN 79 4.357 6.953 3.740 596 2HB GLN 79 1HB GLN 79 4.137 5.527 2.740 597 1HG GLN 79 2HG GLN 79 6.378 4.827 3.104 598 2HG GLN 79 1HG GLN 79 6.792 6.354 3.878 599 1HE2 GLN 79 1HE2 GLN 79 3.752 4.799 4.511 600 2HE2 GLN 79 2HE2 GLN 79 4.117 4.291 6.117 601 H LEU 80 H LEU 80 7.663 6.388 1.476 602 HA LEU 80 HA LEU 80 6.993 4.676 -0.823 603 1HB LEU 80 2HB LEU 80 8.339 6.619 -1.487 604 2HB LEU 80 1HB LEU 80 9.568 6.169 -0.319 605 HG LEU 80 HG LEU 80 9.992 4.086 -1.555 606 1HD1 LEU 80 1HD1 LEU 80 8.987 3.740 -3.752 607 2HD1 LEU 80 2HD1 LEU 80 7.986 5.174 -3.528 608 3HD1 LEU 80 3HD1 LEU 80 7.758 3.769 -2.487 609 1HD2 LEU 80 1HD2 LEU 80 10.093 6.562 -3.280 610 2HD2 LEU 80 2HD2 LEU 80 11.039 5.095 -3.525 611 3HD2 LEU 80 3HD2 LEU 80 11.301 6.083 -2.086 612 H ILE 81 H ILE 81 7.211 2.594 -0.402 613 HA ILE 81 HA ILE 81 9.044 1.808 1.762 614 HB ILE 81 HB ILE 81 7.696 -0.273 1.933 615 1HG1 ILE 81 2HG1 ILE 81 5.526 1.101 0.394 616 2HG1 ILE 81 1HG1 ILE 81 6.738 0.175 -0.480 617 1HG2 ILE 81 1HG2 ILE 81 5.798 0.801 3.084 618 2HG2 ILE 81 2HG2 ILE 81 6.241 2.335 2.329 619 3HG2 ILE 81 3HG2 ILE 81 7.344 1.561 3.467 620 1HD1 ILE 81 1HD1 ILE 81 4.726 -1.129 -0.009 621 2HD1 ILE 81 2HD1 ILE 81 4.988 -0.892 1.718 622 3HD1 ILE 81 3HD1 ILE 81 6.155 -1.815 0.767 623 H GLN 82 H GLN 82 10.318 -0.013 1.529 624 HA GLN 82 HA GLN 82 11.085 -0.537 -1.247 625 1HB GLN 82 2HB GLN 82 12.872 0.248 0.197 626 2HB GLN 82 1HB GLN 82 12.504 -0.980 1.400 627 1HG GLN 82 2HG GLN 82 14.506 -1.507 0.098 628 2HG GLN 82 1HG GLN 82 13.239 -2.721 -0.099 629 1HE2 GLN 82 1HE2 GLN 82 13.780 -3.464 -2.047 630 2HE2 GLN 82 2HE2 GLN 82 13.656 -2.529 -3.497 631 H THR 83 H THR 83 10.718 -2.450 -2.191 632 HA THR 83 HA THR 83 9.805 -4.660 -0.464 633 HB THR 83 HB THR 83 8.104 -5.207 -2.001 634 HG1 THR 83 HG1 THR 83 8.627 -3.323 -3.944 635 1HG2 THR 83 1HG2 THR 83 8.357 -2.205 -1.911 636 2HG2 THR 83 2HG2 THR 83 7.486 -3.233 -0.768 637 3HG2 THR 83 3HG2 THR 83 6.902 -3.060 -2.424 638 HA PRO 84 HA PRO 84 12.748 -7.281 -2.600 639 1HB PRO 84 2HB PRO 84 10.659 -9.352 -2.837 640 2HB PRO 84 1HB PRO 84 12.207 -9.413 -1.988 641 1HG PRO 84 2HG PRO 84 9.883 -9.274 -0.656 642 2HG PRO 84 1HG PRO 84 11.345 -8.465 -0.067 643 1HD PRO 84 2HD PRO 84 8.978 -7.304 -1.483 644 2HD PRO 84 1HD PRO 84 9.917 -6.644 -0.126 645 H TYR 85 H TYR 85 9.808 -6.262 -3.902 646 HA TYR 85 HA TYR 85 10.367 -7.411 -6.551 647 1HB TYR 85 2HB TYR 85 7.801 -6.060 -5.725 648 2HB TYR 85 1HB TYR 85 8.065 -7.197 -7.043 649 HD1 TYR 85 HD1 TYR 85 8.569 -9.625 -6.453 650 HD2 TYR 85 HD2 TYR 85 7.133 -6.805 -3.605 651 HE1 TYR 85 HE1 TYR 85 7.865 -11.472 -4.983 652 HE2 TYR 85 HE2 TYR 85 6.426 -8.639 -2.134 653 HH TYR 85 HH TYR 85 5.845 -10.976 -2.249 654 H GLY 86 H GLY 86 11.332 -4.873 -4.998 655 1HA GLY 86 2HA GLY 86 12.342 -3.184 -6.581 656 2HA GLY 86 1HA GLY 86 10.689 -2.933 -7.125 657 H SER 87 H SER 87 9.401 -1.571 -6.005 658 HA SER 87 HA SER 87 9.772 -0.709 -3.356 659 1HB SER 87 2HB SER 87 11.771 0.390 -4.240 660 2HB SER 87 1HB SER 87 10.834 1.119 -5.535 661 HG SER 87 HG SER 87 11.142 1.912 -2.934 662 H ALA 88 H ALA 88 7.929 0.367 -2.716 663 HA ALA 88 HA ALA 88 6.004 0.920 -4.882 664 1HB ALA 88 1HB ALA 88 4.257 -0.231 -3.645 665 2HB ALA 88 2HB ALA 88 5.414 -0.653 -2.381 666 3HB ALA 88 3HB ALA 88 5.596 -1.324 -4.001 667 H TRP 89 H TRP 89 4.550 2.535 -4.540 668 HA TRP 89 HA TRP 89 5.115 4.361 -2.382 669 1HB TRP 89 2HB TRP 89 3.066 4.486 -4.605 670 2HB TRP 89 1HB TRP 89 3.397 5.783 -3.468 671 HD1 TRP 89 HD1 TRP 89 4.570 4.337 -6.697 672 HE1 TRP 89 HE1 TRP 89 6.575 5.679 -7.556 673 HE3 TRP 89 HE3 TRP 89 5.567 7.109 -2.520 674 HZ2 TRP 89 HZ2 TRP 89 8.360 7.653 -6.613 675 HZ3 TRP 89 HZ3 TRP 89 7.441 8.702 -2.579 676 HH2 TRP 89 HH2 TRP 89 8.809 8.967 -4.587 677 H MET 90 H MET 90 4.099 4.499 -0.542 678 HA MET 90 HA MET 90 1.667 2.891 -0.111 679 1HB MET 90 2HB MET 90 3.746 2.318 1.190 680 2HB MET 90 1HB MET 90 3.660 3.910 1.931 681 1HG MET 90 2HG MET 90 1.476 3.327 2.886 682 2HG MET 90 1HG MET 90 1.613 1.719 2.176 683 1HE MET 90 1HE MET 90 1.236 0.594 4.558 684 2HE MET 90 2HE MET 90 1.069 2.199 5.269 685 3HE MET 90 3HE MET 90 2.164 1.023 5.994 686 H TYR 91 H TYR 91 -0.003 3.805 1.230 687 HA TYR 91 HA TYR 91 0.125 6.729 1.516 688 1HB TYR 91 2HB TYR 91 -2.026 5.016 0.373 689 2HB TYR 91 1HB TYR 91 -2.512 6.415 1.323 690 HD1 TYR 91 HD1 TYR 91 -2.229 8.625 0.511 691 HD2 TYR 91 HD2 TYR 91 -0.739 5.328 -1.726 692 HE1 TYR 91 HE1 TYR 91 -1.894 10.100 -1.422 693 HE2 TYR 91 HE2 TYR 91 -0.396 6.798 -3.668 694 HH TYR 91 HH TYR 91 -0.742 10.265 -3.422 695 H VAL 92 H VAL 92 -0.269 7.512 3.469 696 HA VAL 92 HA VAL 92 -1.320 5.662 5.505 697 HB VAL 92 HB VAL 92 0.725 7.847 5.659 698 1HG1 VAL 92 1HG1 VAL 92 -0.875 6.865 8.020 699 2HG1 VAL 92 2HG1 VAL 92 -0.933 8.493 7.345 700 3HG1 VAL 92 3HG1 VAL 92 0.550 7.898 8.089 701 1HG2 VAL 92 1HG2 VAL 92 1.880 6.174 7.005 702 2HG2 VAL 92 2HG2 VAL 92 1.408 5.525 5.433 703 3HG2 VAL 92 3HG2 VAL 92 0.477 5.108 6.881 704 H TYR 93 H TYR 93 -2.992 6.072 6.573 705 HA TYR 93 HA TYR 93 -4.987 7.769 5.784 706 1HB TYR 93 2HB TYR 93 -6.121 6.687 7.401 707 2HB TYR 93 1HB TYR 93 -4.660 5.754 7.597 708 HD1 TYR 93 HD1 TYR 93 -3.024 6.383 9.379 709 HD2 TYR 93 HD2 TYR 93 -6.903 8.104 9.172 710 HE1 TYR 93 HE1 TYR 93 -2.808 7.120 11.712 711 HE2 TYR 93 HE2 TYR 93 -6.696 8.847 11.504 712 HH TYR 93 HH TYR 93 -3.843 9.010 13.147 713 H GLN 94 H GLN 94 -5.540 9.847 6.205 714 HA GLN 94 HA GLN 94 -3.952 11.341 8.170 715 1HB GLN 94 2HB GLN 94 -3.427 11.458 5.500 716 2HB GLN 94 1HB GLN 94 -4.588 12.766 5.666 717 1HG GLN 94 2HG GLN 94 -2.329 13.600 5.867 718 2HG GLN 94 1HG GLN 94 -3.192 13.783 7.389 719 1HE2 GLN 94 1HE2 GLN 94 -1.921 10.725 6.262 720 2HE2 GLN 94 2HE2 GLN 94 -0.697 10.581 7.465 721 H ARG 95 H ARG 95 -6.555 10.280 8.317 722 HA ARG 95 HA ARG 95 -8.155 12.723 8.608 723 1HB ARG 95 2HB ARG 95 -9.016 10.068 7.421 724 2HB ARG 95 1HB ARG 95 -10.158 11.295 7.950 725 1HG ARG 95 2HG ARG 95 -8.030 11.810 5.887 726 2HG ARG 95 1HG ARG 95 -9.659 11.267 5.488 727 1HD ARG 95 2HD ARG 95 -10.619 13.247 6.447 728 2HD ARG 95 1HD ARG 95 -9.057 13.753 7.082 729 HE ARG 95 HE ARG 95 -8.493 14.577 5.018 730 1HH1 ARG 95 1HH1 ARG 95 -11.356 12.574 4.687 731 2HH1 ARG 95 2HH1 ARG 95 -11.713 13.123 3.076 732 1HH2 ARG 95 1HH2 ARG 95 -8.993 15.335 2.928 733 2HH2 ARG 95 2HH2 ARG 95 -10.372 14.704 2.089 734 HA PRO 96 HA PRO 96 -9.100 10.959 12.618 735 1HB PRO 96 2HB PRO 96 -11.999 10.836 12.408 736 2HB PRO 96 1HB PRO 96 -11.001 11.954 13.336 737 1HG PRO 96 2HG PRO 96 -12.448 12.712 11.167 738 2HG PRO 96 1HG PRO 96 -10.939 13.505 11.652 739 1HD PRO 96 2HD PRO 96 -11.408 11.468 9.507 740 2HD PRO 96 1HD PRO 96 -10.382 12.919 9.479 741 H VAL 97 H VAL 97 -8.951 8.950 13.455 742 HA VAL 97 HA VAL 97 -10.369 6.769 12.078 743 HB VAL 97 HB VAL 97 -8.924 5.287 13.630 744 1HG1 VAL 97 1HG1 VAL 97 -7.647 6.895 11.431 745 2HG1 VAL 97 2HG1 VAL 97 -8.618 5.437 11.228 746 3HG1 VAL 97 3HG1 VAL 97 -7.060 5.351 12.051 747 1HG2 VAL 97 1HG2 VAL 97 -6.753 6.290 14.244 748 2HG2 VAL 97 2HG2 VAL 97 -8.108 6.981 15.145 749 3HG2 VAL 97 3HG2 VAL 97 -7.393 7.876 13.804 750 H ASP 98 H ASP 98 -11.247 8.818 14.247 751 HA ASP 98 HA ASP 98 -11.861 7.425 16.581 752 1HB ASP 98 2HB ASP 98 -13.105 9.860 15.335 753 2HB ASP 98 1HB ASP 98 -13.555 9.264 16.926 754 H GLY 99 H GLY 99 -13.050 6.847 13.628 755 1HA GLY 99 2HA GLY 99 -15.375 5.450 14.719 756 2HA GLY 99 1HA GLY 99 -15.662 6.615 13.435 757 H LEU 100 H LEU 100 -12.782 4.637 13.566 758 HA LEU 100 HA LEU 100 -13.768 3.217 11.177 759 1HB LEU 100 2HB LEU 100 -10.900 3.801 11.919 760 2HB LEU 100 1HB LEU 100 -11.462 3.045 10.442 761 HG LEU 100 HG LEU 100 -11.862 5.916 11.275 762 1HD1 LEU 100 1HD1 LEU 100 -10.584 6.390 9.243 763 2HD1 LEU 100 2HD1 LEU 100 -10.383 4.659 8.967 764 3HD1 LEU 100 3HD1 LEU 100 -9.656 5.417 10.384 765 1HD2 LEU 100 1HD2 LEU 100 -13.018 6.192 9.135 766 2HD2 LEU 100 2HD2 LEU 100 -13.882 5.095 10.215 767 3HD2 LEU 100 3HD2 LEU 100 -12.931 4.450 8.876 768 H LYS 101 H LYS 101 -12.804 1.030 10.860 769 HA LYS 101 HA LYS 101 -12.431 -0.297 13.454 770 1HB LYS 101 2HB LYS 101 -14.206 -1.133 11.807 771 2HB LYS 101 1HB LYS 101 -12.862 -1.702 10.822 772 1HG LYS 101 2HG LYS 101 -12.078 -2.908 12.955 773 2HG LYS 101 1HG LYS 101 -13.711 -2.613 13.546 774 1HD LYS 101 2HD LYS 101 -13.935 -4.705 12.617 775 2HD LYS 101 1HD LYS 101 -14.420 -3.674 11.271 776 1HE LYS 101 2HE LYS 101 -12.926 -5.395 10.471 777 2HE LYS 101 1HE LYS 101 -12.126 -3.828 10.367 778 1HZ LYS 101 1HZ LYS 101 -10.741 -4.329 12.161 779 2HZ LYS 101 2HZ LYS 101 -10.809 -5.797 11.312 780 3HZ LYS 101 3HZ LYS 101 -11.730 -5.584 12.714 781 H LEU 102 H LEU 102 -10.477 -0.898 14.007 782 HA LEU 102 HA LEU 102 -8.294 -0.756 12.122 783 1HB LEU 102 2HB LEU 102 -8.032 0.097 14.404 784 2HB LEU 102 1HB LEU 102 -8.412 -1.483 15.055 785 HG LEU 102 HG LEU 102 -6.341 -2.377 14.039 786 1HD1 LEU 102 1HD1 LEU 102 -4.655 -0.738 13.242 787 2HD1 LEU 102 2HD1 LEU 102 -5.907 0.504 13.275 788 3HD1 LEU 102 3HD1 LEU 102 -6.062 -0.877 12.190 789 1HD2 LEU 102 1HD2 LEU 102 -4.796 -1.277 15.589 790 2HD2 LEU 102 2HD2 LEU 102 -6.344 -1.643 16.351 791 3HD2 LEU 102 3HD2 LEU 102 -5.978 0.007 15.848 792 H ILE 103 H ILE 103 -7.182 -2.472 11.299 793 HA ILE 103 HA ILE 103 -8.025 -5.157 12.135 794 HB ILE 103 HB ILE 103 -6.571 -4.332 9.611 795 1HG1 ILE 103 2HG1 ILE 103 -9.378 -5.353 10.102 796 2HG1 ILE 103 1HG1 ILE 103 -8.932 -3.744 9.546 797 1HG2 ILE 103 1HG2 ILE 103 -5.815 -6.504 10.423 798 2HG2 ILE 103 2HG2 ILE 103 -6.760 -6.674 8.944 799 3HG2 ILE 103 3HG2 ILE 103 -7.485 -7.063 10.503 800 1HD1 ILE 103 1HD1 ILE 103 -8.525 -6.313 8.026 801 2HD1 ILE 103 2HD1 ILE 103 -8.086 -4.697 7.471 802 3HD1 ILE 103 3HD1 ILE 103 -9.780 -5.108 7.727 803 H GLU 104 H GLU 104 -6.882 -5.438 13.881 804 HA GLU 104 HA GLU 104 -4.241 -4.587 14.378 805 1HB GLU 104 2HB GLU 104 -5.492 -6.862 15.867 806 2HB GLU 104 1HB GLU 104 -4.466 -5.569 16.466 807 1HG GLU 104 2HG GLU 104 -6.464 -4.907 17.319 808 2HG GLU 104 1HG GLU 104 -6.521 -4.073 15.765 809 H SER 105 H SER 105 -4.534 -6.380 11.982 810 HA SER 105 HA SER 105 -2.261 -8.079 12.471 811 1HB SER 105 2HB SER 105 -4.956 -9.343 11.893 812 2HB SER 105 1HB SER 105 -3.415 -10.197 11.880 813 HG SER 105 HG SER 105 -3.726 -8.828 14.185 814 H GLY 106 H GLY 106 -3.701 -6.024 10.544 815 1HA GLY 106 2HA GLY 106 -3.302 -5.368 8.403 816 2HA GLY 106 1HA GLY 106 -1.844 -6.322 8.546 817 H ASP 107 H ASP 107 -4.874 -8.027 8.699 818 HA ASP 107 HA ASP 107 -4.376 -8.995 5.965 819 1HB ASP 107 2HB ASP 107 -5.956 -10.789 6.492 820 2HB ASP 107 1HB ASP 107 -4.716 -10.704 7.736 821 H TRP 108 H TRP 108 -6.643 -9.483 4.817 822 HA TRP 108 HA TRP 108 -8.521 -7.301 5.440 823 1HB TRP 108 2HB TRP 108 -7.456 -6.912 3.245 824 2HB TRP 108 1HB TRP 108 -7.994 -8.493 2.703 825 HD1 TRP 108 HD1 TRP 108 -10.103 -8.389 1.282 826 HE1 TRP 108 HE1 TRP 108 -12.156 -6.845 1.097 827 HE3 TRP 108 HE3 TRP 108 -8.946 -5.078 5.002 828 HZ2 TRP 108 HZ2 TRP 108 -13.139 -4.522 2.363 829 HZ3 TRP 108 HZ3 TRP 108 -10.496 -3.222 5.452 830 HH2 TRP 108 HH2 TRP 108 -12.551 -2.950 4.157 831 H LEU 109 H LEU 109 -8.056 -10.618 4.451 832 HA LEU 109 HA LEU 109 -10.783 -11.260 5.286 833 1HB LEU 109 2HB LEU 109 -9.651 -12.096 2.613 834 2HB LEU 109 1HB LEU 109 -11.208 -12.563 3.264 835 HG LEU 109 HG LEU 109 -10.467 -9.714 2.619 836 1HD1 LEU 109 1HD1 LEU 109 -11.834 -10.005 0.598 837 2HD1 LEU 109 2HD1 LEU 109 -11.966 -11.728 0.950 838 3HD1 LEU 109 3HD1 LEU 109 -10.392 -11.019 0.585 839 1HD2 LEU 109 1HD2 LEU 109 -12.255 -9.955 4.246 840 2HD2 LEU 109 2HD2 LEU 109 -13.117 -11.045 3.159 841 3HD2 LEU 109 3HD2 LEU 109 -12.881 -9.356 2.711 842 H ASP 110 H ASP 110 -9.080 -12.059 7.004 843 HA ASP 110 HA ASP 110 -8.757 -14.906 6.373 844 1HB ASP 110 2HB ASP 110 -6.544 -13.784 6.149 845 2HB ASP 110 1HB ASP 110 -6.650 -13.318 7.844 846 H ARG 111 H ARG 111 -10.602 -15.359 7.589 847 HA ARG 111 HA ARG 111 -9.924 -15.819 10.331 848 1HB ARG 111 2HB ARG 111 -12.088 -14.892 11.243 849 2HB ARG 111 1HB ARG 111 -10.856 -13.721 10.815 850 1HG ARG 111 2HG ARG 111 -13.013 -14.378 8.858 851 2HG ARG 111 1HG ARG 111 -13.343 -13.297 10.211 852 1HD ARG 111 2HD ARG 111 -11.497 -11.858 9.521 853 2HD ARG 111 1HD ARG 111 -11.146 -12.946 8.180 854 HE ARG 111 HE ARG 111 -13.728 -12.276 7.755 855 1HH1 ARG 111 1HH1 ARG 111 -10.874 -10.368 8.422 856 2HH1 ARG 111 2HH1 ARG 111 -11.361 -9.049 7.399 857 1HH2 ARG 111 1HH2 ARG 111 -14.409 -10.513 6.447 858 2HH2 ARG 111 2HH2 ARG 111 -13.374 -9.117 6.292 859 H ASP 112 H ASP 112 -12.712 -15.941 8.091 860 HA ASP 112 HA ASP 112 -13.136 -18.690 9.002 861 1HB ASP 112 2HB ASP 112 -15.221 -16.599 8.343 862 2HB ASP 112 1HB ASP 112 -15.556 -18.283 8.675 863 H LYS 113 H LYS 113 -15.508 -17.988 6.956 864 HA LYS 113 HA LYS 113 -16.080 -18.576 4.862 865 1HB LYS 113 2HB LYS 113 -13.332 -17.515 4.267 866 2HB LYS 113 1HB LYS 113 -14.526 -17.909 3.037 867 1HG LYS 113 2HG LYS 113 -16.061 -16.279 4.299 868 2HG LYS 113 1HG LYS 113 -14.581 -15.717 5.080 869 1HD LYS 113 2HD LYS 113 -15.014 -14.306 3.197 870 2HD LYS 113 1HD LYS 113 -13.625 -15.321 2.810 871 1HE LYS 113 2HE LYS 113 -15.036 -16.807 1.508 872 2HE LYS 113 1HE LYS 113 -16.463 -15.873 1.950 873 1HZ LYS 113 1HZ LYS 113 -15.628 -15.329 -0.273 874 2HZ LYS 113 2HZ LYS 113 -14.158 -14.819 0.401 875 3HZ LYS 113 3HZ LYS 113 -15.591 -13.986 0.762 Start of MODEL 8 1 1H MET 1 1HT MET 1 5.906 2.778 -13.688 2 2H MET 1 2HT MET 1 4.684 1.649 -13.359 3 3H MET 1 3HT MET 1 6.310 1.232 -13.121 4 HA MET 1 HA MET 1 6.512 2.844 -11.368 5 1HB MET 1 2HB MET 1 4.779 4.384 -12.301 6 2HB MET 1 1HB MET 1 3.550 3.277 -11.705 7 1HG MET 1 2HG MET 1 3.924 5.198 -10.221 8 2HG MET 1 1HG MET 1 4.234 3.650 -9.436 9 1HE MET 1 1HE MET 1 5.806 6.936 -10.904 10 2HE MET 1 2HE MET 1 6.452 5.692 -11.974 11 3HE MET 1 3HE MET 1 7.528 6.552 -10.873 12 H ARG 2 H ARG 2 5.727 2.333 -9.081 13 HA ARG 2 HA ARG 2 4.441 -0.307 -8.997 14 1HB ARG 2 2HB ARG 2 7.068 0.517 -7.845 15 2HB ARG 2 1HB ARG 2 6.080 -0.618 -6.948 16 1HG ARG 2 2HG ARG 2 7.486 -1.979 -8.192 17 2HG ARG 2 1HG ARG 2 5.996 -1.963 -9.136 18 1HD ARG 2 2HD ARG 2 7.619 -1.625 -10.749 19 2HD ARG 2 1HD ARG 2 7.098 0.019 -10.382 20 HE ARG 2 HE ARG 2 9.633 -1.233 -9.596 21 1HH1 ARG 2 1HH1 ARG 2 7.583 1.586 -9.701 22 2HH1 ARG 2 2HH1 ARG 2 8.850 2.699 -9.315 23 1HH2 ARG 2 1HH2 ARG 2 11.337 0.230 -9.118 24 2HH2 ARG 2 2HH2 ARG 2 10.993 1.936 -9.014 25 H ILE 3 H ILE 3 3.075 -0.653 -7.295 26 HA ILE 3 HA ILE 3 2.906 1.406 -5.229 27 HB ILE 3 HB ILE 3 1.328 2.151 -6.910 28 1HG1 ILE 3 2HG1 ILE 3 -0.126 0.871 -4.582 29 2HG1 ILE 3 1HG1 ILE 3 0.718 2.413 -4.530 30 1HG2 ILE 3 1HG2 ILE 3 0.057 -0.571 -6.673 31 2HG2 ILE 3 2HG2 ILE 3 0.967 0.044 -8.056 32 3HG2 ILE 3 3HG2 ILE 3 -0.571 0.786 -7.611 33 1HD1 ILE 3 1HD1 ILE 3 -1.687 1.772 -6.215 34 2HD1 ILE 3 2HD1 ILE 3 -0.837 3.317 -6.177 35 3HD1 ILE 3 3HD1 ILE 3 -1.670 2.732 -4.736 36 H PHE 4 H PHE 4 1.954 0.712 -3.303 37 HA PHE 4 HA PHE 4 1.983 -2.192 -2.978 38 1HB PHE 4 2HB PHE 4 3.450 -0.842 -1.529 39 2HB PHE 4 1HB PHE 4 2.052 0.034 -0.927 40 HD1 PHE 4 HD1 PHE 4 0.750 -0.817 0.839 41 HD2 PHE 4 HD2 PHE 4 3.689 -3.267 -1.024 42 HE1 PHE 4 HE1 PHE 4 0.495 -2.479 2.634 43 HE2 PHE 4 HE2 PHE 4 3.441 -4.933 0.766 44 HZ PHE 4 HZ PHE 4 1.843 -4.538 2.601 45 H VAL 5 H VAL 5 0.067 -3.150 -3.169 46 HA VAL 5 HA VAL 5 -2.353 -1.680 -2.426 47 HB VAL 5 HB VAL 5 -1.975 -4.240 -3.987 48 1HG1 VAL 5 1HG1 VAL 5 -4.402 -4.244 -4.322 49 2HG1 VAL 5 2HG1 VAL 5 -4.560 -2.862 -3.240 50 3HG1 VAL 5 3HG1 VAL 5 -4.002 -4.414 -2.612 51 1HG2 VAL 5 1HG2 VAL 5 -1.462 -2.209 -5.209 52 2HG2 VAL 5 2HG2 VAL 5 -3.007 -1.508 -4.727 53 3HG2 VAL 5 3HG2 VAL 5 -2.970 -2.906 -5.803 54 H TYR 6 H TYR 6 -3.296 -2.018 -0.569 55 HA TYR 6 HA TYR 6 -2.403 -4.104 1.197 56 1HB TYR 6 2HB TYR 6 -4.396 -2.966 2.586 57 2HB TYR 6 1HB TYR 6 -2.783 -2.272 2.487 58 HD1 TYR 6 HD1 TYR 6 -2.714 0.002 2.122 59 HD2 TYR 6 HD2 TYR 6 -5.920 -2.224 0.432 60 HE1 TYR 6 HE1 TYR 6 -3.660 2.076 1.195 61 HE2 TYR 6 HE2 TYR 6 -6.872 -0.162 -0.493 62 HH TYR 6 HH TYR 6 -6.784 2.305 0.083 63 H GLY 7 H GLY 7 -3.186 -5.742 -0.411 64 1HA GLY 7 2HA GLY 7 -4.454 -7.655 -0.488 65 2HA GLY 7 1HA GLY 7 -5.439 -7.009 0.809 66 H SER 8 H SER 8 -7.272 -5.813 0.333 67 HA SER 8 HA SER 8 -8.805 -6.534 -1.833 68 1HB SER 8 2HB SER 8 -10.191 -4.512 -1.288 69 2HB SER 8 1HB SER 8 -9.806 -5.511 0.113 70 HG SER 8 HG SER 8 -7.907 -3.953 0.260 71 H LEU 9 H LEU 9 -8.435 -6.244 -3.921 72 HA LEU 9 HA LEU 9 -6.808 -3.990 -4.811 73 1HB LEU 9 2HB LEU 9 -6.270 -6.262 -5.591 74 2HB LEU 9 1HB LEU 9 -7.859 -6.388 -6.320 75 HG LEU 9 HG LEU 9 -7.257 -4.505 -7.844 76 1HD1 LEU 9 1HD1 LEU 9 -5.555 -3.448 -6.467 77 2HD1 LEU 9 2HD1 LEU 9 -4.906 -3.873 -8.051 78 3HD1 LEU 9 3HD1 LEU 9 -4.517 -4.862 -6.642 79 1HD2 LEU 9 1HD2 LEU 9 -5.437 -6.909 -7.902 80 2HD2 LEU 9 2HD2 LEU 9 -5.758 -5.834 -9.262 81 3HD2 LEU 9 3HD2 LEU 9 -7.061 -6.809 -8.583 82 H ARG 10 H ARG 10 -10.058 -5.012 -4.704 83 HA ARG 10 HA ARG 10 -11.262 -4.130 -6.987 84 1HB ARG 10 2HB ARG 10 -12.429 -3.745 -4.227 85 2HB ARG 10 1HB ARG 10 -13.315 -3.949 -5.732 86 1HG ARG 10 2HG ARG 10 -11.548 -6.041 -4.474 87 2HG ARG 10 1HG ARG 10 -13.305 -5.973 -4.330 88 1HD ARG 10 2HD ARG 10 -11.870 -6.128 -6.972 89 2HD ARG 10 1HD ARG 10 -12.397 -7.551 -6.076 90 HE ARG 10 HE ARG 10 -14.684 -6.221 -6.229 91 1HH1 ARG 10 1HH1 ARG 10 -12.245 -6.677 -8.706 92 2HH1 ARG 10 2HH1 ARG 10 -13.401 -6.754 -10.005 93 1HH2 ARG 10 1HH2 ARG 10 -16.202 -6.301 -7.958 94 2HH2 ARG 10 2HH2 ARG 10 -15.633 -6.546 -9.580 95 H HIS 11 H HIS 11 -11.826 -2.143 -4.141 96 HA HIS 11 HA HIS 11 -11.914 0.083 -3.767 97 1HB HIS 11 2HB HIS 11 -9.775 0.270 -5.897 98 2HB HIS 11 1HB HIS 11 -10.187 1.520 -4.731 99 HD1 HIS 11 HD1 HIS 11 -7.389 -0.013 -5.116 100 HD2 HIS 11 HD2 HIS 11 -10.185 -0.615 -2.104 101 HE1 HIS 11 HE1 HIS 11 -6.102 -0.973 -3.187 102 HE2 HIS 11 HE2 HIS 11 -7.875 -1.615 -1.521 103 H LYS 12 H LYS 12 -10.919 0.903 -6.968 104 HA LYS 12 HA LYS 12 -13.644 1.447 -7.845 105 1HB LYS 12 2HB LYS 12 -11.508 3.552 -7.474 106 2HB LYS 12 1HB LYS 12 -12.917 3.790 -8.494 107 1HG LYS 12 2HG LYS 12 -14.381 3.593 -6.590 108 2HG LYS 12 1HG LYS 12 -13.013 3.204 -5.544 109 1HD LYS 12 2HD LYS 12 -13.730 5.558 -5.341 110 2HD LYS 12 1HD LYS 12 -12.064 5.398 -5.896 111 1HE LYS 12 2HE LYS 12 -13.113 7.107 -7.199 112 2HE LYS 12 1HE LYS 12 -12.897 5.698 -8.235 113 1HZ LYS 12 1HZ LYS 12 -15.407 6.638 -6.961 114 2HZ LYS 12 2HZ LYS 12 -15.264 5.129 -7.720 115 3HZ LYS 12 3HZ LYS 12 -15.055 6.556 -8.618 116 H GLN 13 H GLN 13 -13.643 0.411 -9.756 117 HA GLN 13 HA GLN 13 -11.669 1.308 -11.710 118 1HB GLN 13 2HB GLN 13 -11.106 -1.025 -10.724 119 2HB GLN 13 1HB GLN 13 -12.478 -1.588 -11.666 120 1HG GLN 13 2HG GLN 13 -10.162 -0.091 -12.864 121 2HG GLN 13 1HG GLN 13 -10.216 -1.846 -12.737 122 1HE2 GLN 13 1HE2 GLN 13 -10.145 -0.013 -15.071 123 2HE2 GLN 13 2HE2 GLN 13 -11.503 -0.462 -16.047 124 H GLY 14 H GLY 14 -12.899 2.397 -13.036 125 1HA GLY 14 2HA GLY 14 -14.999 0.925 -14.445 126 2HA GLY 14 1HA GLY 14 -15.424 2.476 -13.733 127 H ASN 15 H ASN 15 -12.526 3.282 -14.329 128 HA ASN 15 HA ASN 15 -12.476 3.526 -17.194 129 1HB ASN 15 2HB ASN 15 -12.752 5.951 -17.316 130 2HB ASN 15 1HB ASN 15 -14.198 5.201 -16.653 131 1HD2 ASN 15 1HD2 ASN 15 -11.521 7.301 -16.043 132 2HD2 ASN 15 2HD2 ASN 15 -12.052 7.870 -14.495 133 H SER 16 H SER 16 -11.165 4.253 -14.057 134 HA SER 16 HA SER 16 -8.828 5.589 -14.893 135 1HB SER 16 2HB SER 16 -9.200 3.943 -12.385 136 2HB SER 16 1HB SER 16 -8.068 5.271 -12.633 137 HG SER 16 HG SER 16 -9.656 6.699 -12.453 138 H HIS 17 H HIS 17 -6.644 4.782 -14.659 139 HA HIS 17 HA HIS 17 -6.198 2.381 -16.164 140 1HB HIS 17 2HB HIS 17 -4.380 4.330 -14.751 141 2HB HIS 17 1HB HIS 17 -3.763 2.909 -15.582 142 HD1 HIS 17 HD1 HIS 17 -5.264 6.289 -16.202 143 HD2 HIS 17 HD2 HIS 17 -3.803 3.039 -18.365 144 HE1 HIS 17 HE1 HIS 17 -5.014 7.094 -18.571 145 HE2 HIS 17 HE2 HIS 17 -3.885 5.197 -19.787 146 H TRP 18 H TRP 18 -7.296 2.455 -13.229 147 HA TRP 18 HA TRP 18 -5.469 1.435 -11.444 148 1HB TRP 18 2HB TRP 18 -7.725 2.263 -10.847 149 2HB TRP 18 1HB TRP 18 -8.431 0.807 -11.547 150 HD1 TRP 18 HD1 TRP 18 -9.225 -0.620 -9.562 151 HE1 TRP 18 HE1 TRP 18 -8.182 -1.448 -7.355 152 HE3 TRP 18 HE3 TRP 18 -4.799 1.928 -9.774 153 HZ2 TRP 18 HZ2 TRP 18 -5.790 -1.055 -5.898 154 HZ3 TRP 18 HZ3 TRP 18 -3.184 1.645 -7.932 155 HH2 TRP 18 HH2 TRP 18 -3.670 0.186 -6.036 156 H MET 19 H MET 19 -7.877 -0.521 -13.229 157 HA MET 19 HA MET 19 -5.968 -2.750 -13.028 158 1HB MET 19 2HB MET 19 -8.283 -2.802 -11.707 159 2HB MET 19 1HB MET 19 -8.880 -3.334 -13.274 160 1HG MET 19 2HG MET 19 -6.733 -4.645 -11.622 161 2HG MET 19 1HG MET 19 -8.364 -5.242 -11.909 162 1HE MET 19 1HE MET 19 -6.032 -7.775 -13.832 163 2HE MET 19 2HE MET 19 -7.256 -7.601 -12.575 164 3HE MET 19 3HE MET 19 -5.644 -6.929 -12.334 165 H THR 20 H THR 20 -5.093 -2.399 -14.996 166 HA THR 20 HA THR 20 -6.695 -3.296 -17.251 167 HB THR 20 HB THR 20 -5.069 -0.743 -17.389 168 HG1 THR 20 HG1 THR 20 -7.717 -1.250 -16.781 169 1HG2 THR 20 1HG2 THR 20 -5.090 -1.950 -19.502 170 2HG2 THR 20 2HG2 THR 20 -6.103 -0.510 -19.619 171 3HG2 THR 20 3HG2 THR 20 -6.844 -2.100 -19.425 172 H ASN 21 H ASN 21 -3.522 -2.235 -16.083 173 HA ASN 21 HA ASN 21 -2.331 -4.512 -17.510 174 1HB ASN 21 2HB ASN 21 -0.297 -3.139 -17.900 175 2HB ASN 21 1HB ASN 21 -1.706 -2.532 -18.761 176 1HD2 ASN 21 1HD2 ASN 21 -2.622 -0.588 -18.141 177 2HD2 ASN 21 2HD2 ASN 21 -1.783 0.539 -17.131 178 H ALA 22 H ALA 22 -3.276 -4.088 -14.761 179 HA ALA 22 HA ALA 22 -1.122 -3.665 -12.996 180 1HB ALA 22 1HB ALA 22 -2.555 -4.671 -11.287 181 2HB ALA 22 2HB ALA 22 -3.666 -5.221 -12.543 182 3HB ALA 22 3HB ALA 22 -3.435 -3.495 -12.263 183 H GLN 23 H GLN 23 0.671 -4.832 -13.121 184 HA GLN 23 HA GLN 23 0.511 -7.684 -13.744 185 1HB GLN 23 2HB GLN 23 2.065 -6.262 -15.048 186 2HB GLN 23 1HB GLN 23 2.909 -5.843 -13.564 187 1HG GLN 23 2HG GLN 23 3.469 -8.234 -13.256 188 2HG GLN 23 1HG GLN 23 2.723 -8.572 -14.816 189 1HE2 GLN 23 1HE2 GLN 23 5.467 -8.969 -13.954 190 2HE2 GLN 23 2HE2 GLN 23 6.456 -8.039 -15.033 191 H LEU 24 H LEU 24 0.613 -9.117 -12.168 192 HA LEU 24 HA LEU 24 1.099 -8.321 -9.477 193 1HB LEU 24 2HB LEU 24 -0.527 -10.059 -9.933 194 2HB LEU 24 1HB LEU 24 0.692 -11.052 -10.710 195 HG LEU 24 HG LEU 24 1.853 -11.288 -8.536 196 1HD1 LEU 24 1HD1 LEU 24 0.708 -10.616 -6.484 197 2HD1 LEU 24 2HD1 LEU 24 -0.538 -9.816 -7.441 198 3HD1 LEU 24 3HD1 LEU 24 1.121 -9.220 -7.480 199 1HD2 LEU 24 1HD2 LEU 24 -1.056 -12.084 -8.484 200 2HD2 LEU 24 2HD2 LEU 24 0.239 -12.810 -7.531 201 3HD2 LEU 24 3HD2 LEU 24 0.239 -12.971 -9.287 202 H LEU 25 H LEU 25 3.111 -7.775 -8.938 203 HA LEU 25 HA LEU 25 5.408 -9.207 -9.929 204 1HB LEU 25 2HB LEU 25 5.144 -7.073 -7.808 205 2HB LEU 25 1HB LEU 25 6.665 -7.709 -8.397 206 HG LEU 25 HG LEU 25 4.647 -6.172 -10.033 207 1HD1 LEU 25 1HD1 LEU 25 7.346 -5.406 -8.936 208 2HD1 LEU 25 2HD1 LEU 25 5.782 -4.734 -8.473 209 3HD1 LEU 25 3HD1 LEU 25 6.420 -4.453 -10.093 210 1HD2 LEU 25 1HD2 LEU 25 7.372 -7.230 -10.779 211 2HD2 LEU 25 2HD2 LEU 25 6.354 -6.201 -11.787 212 3HD2 LEU 25 3HD2 LEU 25 5.826 -7.834 -11.376 213 H GLY 26 H GLY 26 3.723 -8.829 -6.837 214 1HA GLY 26 2HA GLY 26 3.625 -11.413 -6.054 215 2HA GLY 26 1HA GLY 26 5.254 -10.935 -5.590 216 H ASP 27 H ASP 27 3.189 -11.717 -3.772 217 HA ASP 27 HA ASP 27 2.163 -9.293 -2.624 218 1HB ASP 27 2HB ASP 27 1.267 -10.625 -0.831 219 2HB ASP 27 1HB ASP 27 0.919 -11.400 -2.359 220 H PHE 28 H PHE 28 2.576 -8.620 -0.510 221 HA PHE 28 HA PHE 28 5.127 -9.338 0.675 222 1HB PHE 28 2HB PHE 28 5.711 -7.656 -1.042 223 2HB PHE 28 1HB PHE 28 4.595 -6.521 -0.298 224 HD1 PHE 28 HD1 PHE 28 6.923 -8.790 1.489 225 HD2 PHE 28 HD2 PHE 28 6.068 -4.803 0.272 226 HE1 PHE 28 HE1 PHE 28 8.738 -7.965 2.929 227 HE2 PHE 28 HE2 PHE 28 7.883 -3.972 1.711 228 HZ PHE 28 HZ PHE 28 9.212 -5.550 3.046 229 H SER 29 H SER 29 3.879 -9.993 2.425 230 HA SER 29 HA SER 29 2.218 -8.107 3.834 231 1HB SER 29 2HB SER 29 3.243 -10.853 4.616 232 2HB SER 29 1HB SER 29 2.098 -9.907 5.568 233 HG SER 29 HG SER 29 1.718 -11.330 3.210 234 H ILE 30 H ILE 30 2.808 -6.771 5.479 235 HA ILE 30 HA ILE 30 5.637 -6.916 6.298 236 HB ILE 30 HB ILE 30 5.627 -4.417 6.379 237 1HG1 ILE 30 2HG1 ILE 30 3.045 -4.771 4.842 238 2HG1 ILE 30 1HG1 ILE 30 3.231 -4.008 6.418 239 1HG2 ILE 30 1HG2 ILE 30 5.986 -4.135 3.987 240 2HG2 ILE 30 2HG2 ILE 30 5.169 -5.667 3.681 241 3HG2 ILE 30 3HG2 ILE 30 6.690 -5.644 4.573 242 1HD1 ILE 30 1HD1 ILE 30 4.513 -2.214 5.422 243 2HD1 ILE 30 2HD1 ILE 30 2.954 -2.379 4.614 244 3HD1 ILE 30 3HD1 ILE 30 4.419 -2.995 3.844 245 H ASP 31 H ASP 31 6.118 -6.433 8.383 246 HA ASP 31 HA ASP 31 3.875 -6.470 10.233 247 1HB ASP 31 2HB ASP 31 6.841 -6.919 10.549 248 2HB ASP 31 1HB ASP 31 5.762 -6.772 11.928 249 H ASN 32 H ASN 32 4.057 -5.133 12.197 250 HA ASN 32 HA ASN 32 4.229 -3.177 13.318 251 1HB ASN 32 2HB ASN 32 6.570 -2.834 11.465 252 2HB ASN 32 1HB ASN 32 6.091 -1.556 12.579 253 1HD2 ASN 32 1HD2 ASN 32 8.500 -3.250 12.450 254 2HD2 ASN 32 2HD2 ASN 32 8.630 -3.966 14.017 255 H TYR 33 H TYR 33 2.539 -3.505 10.905 256 HA TYR 33 HA TYR 33 1.861 -0.654 10.751 257 1HB TYR 33 2HB TYR 33 1.843 -2.557 8.402 258 2HB TYR 33 1HB TYR 33 1.092 -0.973 8.396 259 HD1 TYR 33 HD1 TYR 33 4.201 -2.807 8.107 260 HD2 TYR 33 HD2 TYR 33 2.497 1.064 8.531 261 HE1 TYR 33 HE1 TYR 33 6.324 -1.803 7.383 262 HE2 TYR 33 HE2 TYR 33 4.614 2.083 7.810 263 HH TYR 33 HH TYR 33 7.126 0.295 6.381 264 H GLN 34 H GLN 34 -0.414 -0.269 10.304 265 HA GLN 34 HA GLN 34 -2.114 -2.581 10.968 266 1HB GLN 34 2HB GLN 34 -2.596 0.243 11.930 267 2HB GLN 34 1HB GLN 34 -3.474 -1.214 12.393 268 1HG GLN 34 2HG GLN 34 -1.610 -2.048 13.608 269 2HG GLN 34 1HG GLN 34 -0.557 -0.781 12.980 270 1HE2 GLN 34 1HE2 GLN 34 -0.713 1.303 13.815 271 2HE2 GLN 34 2HE2 GLN 34 -1.549 1.639 15.289 272 H LEU 35 H LEU 35 -4.310 -2.434 10.132 273 HA LEU 35 HA LEU 35 -4.408 -0.741 7.714 274 1HB LEU 35 2HB LEU 35 -4.001 -3.164 7.276 275 2HB LEU 35 1HB LEU 35 -5.529 -3.529 8.050 276 HG LEU 35 HG LEU 35 -6.694 -2.221 6.290 277 1HD1 LEU 35 1HD1 LEU 35 -4.903 -0.718 5.655 278 2HD1 LEU 35 2HD1 LEU 35 -5.439 -1.643 4.251 279 3HD1 LEU 35 3HD1 LEU 35 -3.940 -2.074 5.072 280 1HD2 LEU 35 1HD2 LEU 35 -6.412 -3.878 4.528 281 2HD2 LEU 35 2HD2 LEU 35 -6.450 -4.647 6.116 282 3HD2 LEU 35 3HD2 LEU 35 -4.915 -4.432 5.275 283 H TYR 36 H TYR 36 -6.101 0.597 7.603 284 HA TYR 36 HA TYR 36 -8.320 0.220 9.481 285 1HB TYR 36 2HB TYR 36 -7.625 2.578 7.719 286 2HB TYR 36 1HB TYR 36 -8.962 2.524 8.863 287 HD1 TYR 36 HD1 TYR 36 -5.400 2.987 8.435 288 HD2 TYR 36 HD2 TYR 36 -8.505 2.459 11.293 289 HE1 TYR 36 HE1 TYR 36 -3.906 3.812 10.194 290 HE2 TYR 36 HE2 TYR 36 -7.016 3.280 13.068 291 HH TYR 36 HH TYR 36 -4.081 4.845 12.419 292 H SER 37 H SER 37 -10.348 -0.230 8.856 293 HA SER 37 HA SER 37 -10.884 -0.356 5.968 294 1HB SER 37 2HB SER 37 -12.781 -1.903 6.654 295 2HB SER 37 1HB SER 37 -11.154 -2.538 6.906 296 HG SER 37 HG SER 37 -11.473 -1.589 9.133 297 H LEU 38 H LEU 38 -11.690 1.553 5.437 298 HA LEU 38 HA LEU 38 -13.746 2.753 7.152 299 1HB LEU 38 2HB LEU 38 -13.241 4.844 5.803 300 2HB LEU 38 1HB LEU 38 -12.011 4.301 6.917 301 HG LEU 38 HG LEU 38 -11.794 3.486 4.058 302 1HD1 LEU 38 1HD1 LEU 38 -10.992 6.184 5.154 303 2HD1 LEU 38 2HD1 LEU 38 -12.275 5.887 3.979 304 3HD1 LEU 38 3HD1 LEU 38 -10.595 5.553 3.554 305 1HD2 LEU 38 1HD2 LEU 38 -9.772 4.253 6.163 306 2HD2 LEU 38 2HD2 LEU 38 -9.420 3.594 4.564 307 3HD2 LEU 38 3HD2 LEU 38 -10.250 2.604 5.764 308 H GLY 39 H GLY 39 -13.635 0.788 4.633 309 1HA GLY 39 2HA GLY 39 -15.329 0.202 3.142 310 2HA GLY 39 1HA GLY 39 -16.157 1.704 3.536 311 H HIS 40 H HIS 40 -15.721 0.613 0.904 312 HA HIS 40 HA HIS 40 -15.180 1.317 -1.195 313 1HB HIS 40 2HB HIS 40 -14.066 3.814 0.108 314 2HB HIS 40 1HB HIS 40 -14.416 3.600 -1.601 315 HD1 HIS 40 HD1 HIS 40 -16.004 4.366 1.670 316 HD2 HIS 40 HD2 HIS 40 -17.132 3.750 -2.282 317 HE1 HIS 40 HE1 HIS 40 -18.372 5.195 1.513 318 HE2 HIS 40 HE2 HIS 40 -19.004 4.922 -0.912 319 H TYR 41 H TYR 41 -12.654 2.272 1.087 320 HA TYR 41 HA TYR 41 -10.663 0.654 -0.211 321 1HB TYR 41 2HB TYR 41 -9.163 2.746 -0.504 322 2HB TYR 41 1HB TYR 41 -10.390 2.428 -1.723 323 HD1 TYR 41 HD1 TYR 41 -9.711 4.471 1.323 324 HD2 TYR 41 HD2 TYR 41 -12.010 4.044 -2.236 325 HE1 TYR 41 HE1 TYR 41 -10.615 6.730 1.641 326 HE2 TYR 41 HE2 TYR 41 -12.917 6.303 -1.921 327 HH TYR 41 HH TYR 41 -13.305 7.863 0.075 328 HA PRO 42 HA PRO 42 -9.348 0.874 4.065 329 1HB PRO 42 2HB PRO 42 -7.077 -0.758 3.187 330 2HB PRO 42 1HB PRO 42 -8.369 -1.158 4.322 331 1HG PRO 42 2HG PRO 42 -8.199 -2.304 1.887 332 2HG PRO 42 1HG PRO 42 -9.756 -1.964 2.668 333 1HD PRO 42 2HD PRO 42 -8.338 -0.418 0.523 334 2HD PRO 42 1HD PRO 42 -10.060 -0.837 0.658 335 H GLY 43 H GLY 43 -7.169 1.198 5.162 336 1HA GLY 43 2HA GLY 43 -5.183 2.677 3.618 337 2HA GLY 43 1HA GLY 43 -6.008 3.573 4.893 338 H ALA 44 H ALA 44 -3.221 3.151 5.013 339 HA ALA 44 HA ALA 44 -3.062 1.191 7.198 340 1HB ALA 44 1HB ALA 44 -2.197 0.140 5.166 341 2HB ALA 44 2HB ALA 44 -0.928 0.375 6.367 342 3HB ALA 44 3HB ALA 44 -1.039 1.458 4.982 343 H VAL 45 H VAL 45 -1.281 1.481 8.654 344 HA VAL 45 HA VAL 45 0.235 3.964 8.533 345 HB VAL 45 HB VAL 45 -0.344 4.678 10.798 346 1HG1 VAL 45 1HG1 VAL 45 -1.514 5.815 9.072 347 2HG1 VAL 45 2HG1 VAL 45 -2.659 5.506 10.378 348 3HG1 VAL 45 3HG1 VAL 45 -2.686 4.510 8.921 349 1HG2 VAL 45 1HG2 VAL 45 -2.310 3.739 11.952 350 2HG2 VAL 45 2HG2 VAL 45 -1.001 2.573 11.757 351 3HG2 VAL 45 3HG2 VAL 45 -2.415 2.493 10.708 352 HA PRO 46 HA PRO 46 3.212 1.473 10.778 353 1HB PRO 46 2HB PRO 46 3.825 3.769 12.521 354 2HB PRO 46 1HB PRO 46 4.873 2.910 11.391 355 1HG PRO 46 2HG PRO 46 3.994 5.392 10.884 356 2HG PRO 46 1HG PRO 46 4.203 4.196 9.590 357 1HD PRO 46 2HD PRO 46 1.693 5.077 10.971 358 2HD PRO 46 1HD PRO 46 1.976 4.765 9.246 359 H GLY 47 H GLY 47 3.670 0.569 12.885 360 1HA GLY 47 2HA GLY 47 2.673 1.158 15.331 361 2HA GLY 47 1HA GLY 47 1.308 0.382 14.536 362 H ASN 48 H ASN 48 1.163 -1.635 15.294 363 HA ASN 48 HA ASN 48 3.449 -3.380 14.867 364 1HB ASN 48 2HB ASN 48 3.528 -2.648 17.278 365 2HB ASN 48 1HB ASN 48 1.964 -3.426 17.501 366 1HD2 ASN 48 1HD2 ASN 48 4.667 -4.577 15.524 367 2HD2 ASN 48 2HD2 ASN 48 4.934 -6.029 16.431 368 H GLY 49 H GLY 49 2.276 -4.214 13.175 369 1HA GLY 49 2HA GLY 49 0.530 -6.368 13.824 370 2HA GLY 49 1HA GLY 49 -0.341 -5.035 13.072 371 H THR 50 H THR 50 -0.322 -7.386 11.740 372 HA THR 50 HA THR 50 1.849 -7.204 9.771 373 HB THR 50 HB THR 50 -0.155 -9.440 9.928 374 HG1 THR 50 HG1 THR 50 1.703 -8.749 11.805 375 1HG2 THR 50 1HG2 THR 50 1.701 -10.736 8.992 376 2HG2 THR 50 2HG2 THR 50 2.728 -9.303 9.039 377 3HG2 THR 50 3HG2 THR 50 1.321 -9.344 7.976 378 H VAL 51 H VAL 51 1.330 -5.982 8.023 379 HA VAL 51 HA VAL 51 -1.463 -6.013 7.116 380 HB VAL 51 HB VAL 51 0.822 -4.180 6.365 381 1HG1 VAL 51 1HG1 VAL 51 -2.034 -4.176 5.377 382 2HG1 VAL 51 2HG1 VAL 51 -0.608 -4.576 4.420 383 3HG1 VAL 51 3HG1 VAL 51 -0.825 -2.937 5.033 384 1HG2 VAL 51 1HG2 VAL 51 -0.547 -2.463 7.435 385 2HG2 VAL 51 2HG2 VAL 51 -0.146 -3.759 8.563 386 3HG2 VAL 51 3HG2 VAL 51 -1.756 -3.679 7.845 387 H HIS 52 H HIS 52 -1.949 -7.479 5.668 388 HA HIS 52 HA HIS 52 0.066 -8.728 4.044 389 1HB HIS 52 2HB HIS 52 -2.946 -9.013 4.071 390 2HB HIS 52 1HB HIS 52 -1.857 -10.012 3.129 391 HD1 HIS 52 HD1 HIS 52 -0.117 -11.477 4.622 392 HD2 HIS 52 HD2 HIS 52 -3.432 -9.920 6.583 393 HE1 HIS 52 HE1 HIS 52 -0.354 -12.830 6.729 394 HE2 HIS 52 HE2 HIS 52 -2.496 -12.014 7.779 395 H GLY 53 H GLY 53 0.885 -7.543 2.426 396 1HA GLY 53 2HA GLY 53 -1.027 -5.988 0.802 397 2HA GLY 53 1HA GLY 53 0.625 -5.477 1.112 398 H GLU 54 H GLU 54 -0.277 -5.562 -1.412 399 HA GLU 54 HA GLU 54 1.281 -7.783 -2.541 400 1HB GLU 54 2HB GLU 54 -1.208 -6.594 -3.777 401 2HB GLU 54 1HB GLU 54 -0.269 -7.944 -4.397 402 1HG GLU 54 2HG GLU 54 -0.940 -9.328 -2.562 403 2HG GLU 54 1HG GLU 54 -1.740 -7.969 -1.776 404 H VAL 55 H VAL 55 2.891 -7.098 -3.833 405 HA VAL 55 HA VAL 55 2.943 -4.261 -4.543 406 HB VAL 55 HB VAL 55 5.097 -6.359 -4.897 407 1HG1 VAL 55 1HG1 VAL 55 6.595 -4.436 -5.243 408 2HG1 VAL 55 2HG1 VAL 55 5.204 -3.355 -5.187 409 3HG1 VAL 55 3HG1 VAL 55 5.350 -4.537 -6.490 410 1HG2 VAL 55 1HG2 VAL 55 4.709 -4.235 -2.789 411 2HG2 VAL 55 2HG2 VAL 55 6.173 -5.200 -2.986 412 3HG2 VAL 55 3HG2 VAL 55 4.652 -5.982 -2.555 413 H TYR 56 H TYR 56 2.201 -3.601 -6.416 414 HA TYR 56 HA TYR 56 2.135 -5.503 -8.671 415 1HB TYR 56 2HB TYR 56 0.150 -3.490 -7.701 416 2HB TYR 56 1HB TYR 56 0.237 -3.820 -9.426 417 HD1 TYR 56 HD1 TYR 56 -0.469 -5.311 -6.123 418 HD2 TYR 56 HD2 TYR 56 -0.625 -5.823 -10.338 419 HE1 TYR 56 HE1 TYR 56 -1.916 -7.276 -5.827 420 HE2 TYR 56 HE2 TYR 56 -2.071 -7.786 -10.058 421 HH TYR 56 HH TYR 56 -3.537 -8.582 -7.070 422 H ARG 57 H ARG 57 2.450 -4.693 -10.770 423 HA ARG 57 HA ARG 57 3.846 -2.104 -10.881 424 1HB ARG 57 2HB ARG 57 5.020 -4.270 -11.642 425 2HB ARG 57 1HB ARG 57 3.936 -4.218 -13.028 426 1HG ARG 57 2HG ARG 57 4.801 -1.852 -13.405 427 2HG ARG 57 1HG ARG 57 6.073 -2.264 -12.254 428 1HD ARG 57 2HD ARG 57 7.060 -2.776 -14.278 429 2HD ARG 57 1HD ARG 57 6.418 -4.339 -13.772 430 HE ARG 57 HE ARG 57 4.411 -3.236 -15.270 431 1HH1 ARG 57 1HH1 ARG 57 7.799 -3.986 -15.811 432 2HH1 ARG 57 2HH1 ARG 57 7.605 -4.204 -17.521 433 1HH2 ARG 57 1HH2 ARG 57 4.168 -3.485 -17.535 434 2HH2 ARG 57 2HH2 ARG 57 5.557 -3.891 -18.505 435 H ILE 58 H ILE 58 2.950 -0.495 -11.992 436 HA ILE 58 HA ILE 58 1.022 -1.059 -14.104 437 HB ILE 58 HB ILE 58 -0.326 0.981 -13.114 438 1HG1 ILE 58 2HG1 ILE 58 -0.499 0.685 -10.588 439 2HG1 ILE 58 1HG1 ILE 58 1.016 -0.205 -10.678 440 1HG2 ILE 58 1HG2 ILE 58 -0.618 -1.821 -12.048 441 2HG2 ILE 58 2HG2 ILE 58 -1.251 -1.219 -13.580 442 3HG2 ILE 58 3HG2 ILE 58 -1.874 -0.583 -12.057 443 1HD1 ILE 58 1HD1 ILE 58 1.400 2.083 -10.013 444 2HD1 ILE 58 2HD1 ILE 58 0.584 2.666 -11.465 445 3HD1 ILE 58 3HD1 ILE 58 2.106 1.786 -11.602 446 H ASP 59 H ASP 59 0.439 1.085 -15.247 447 HA ASP 59 HA ASP 59 2.672 2.340 -16.267 448 1HB ASP 59 2HB ASP 59 -0.081 3.565 -15.968 449 2HB ASP 59 1HB ASP 59 1.185 4.155 -17.034 450 H ASN 60 H ASN 60 3.890 4.116 -15.755 451 HA ASN 60 HA ASN 60 4.105 5.072 -13.144 452 1HB ASN 60 2HB ASN 60 4.857 6.397 -15.770 453 2HB ASN 60 1HB ASN 60 5.290 7.053 -14.195 454 1HD2 ASN 60 1HD2 ASN 60 7.487 6.861 -14.667 455 2HD2 ASN 60 2HD2 ASN 60 8.289 5.329 -14.662 456 H ALA 61 H ALA 61 2.238 6.217 -15.884 457 HA ALA 61 HA ALA 61 1.260 8.615 -14.809 458 1HB ALA 61 1HB ALA 61 -0.422 8.504 -16.585 459 2HB ALA 61 2HB ALA 61 0.018 6.824 -16.897 460 3HB ALA 61 3HB ALA 61 1.187 8.112 -17.189 461 H THR 62 H THR 62 0.042 5.294 -14.624 462 HA THR 62 HA THR 62 -2.493 5.744 -13.578 463 HB THR 62 HB THR 62 -0.613 3.499 -12.814 464 HG1 THR 62 HG1 THR 62 -2.044 2.525 -14.608 465 1HG2 THR 62 1HG2 THR 62 -2.698 2.212 -12.509 466 2HG2 THR 62 2HG2 THR 62 -3.629 3.675 -12.828 467 3HG2 THR 62 3HG2 THR 62 -2.593 3.583 -11.405 468 H LEU 63 H LEU 63 0.626 5.707 -11.994 469 HA LEU 63 HA LEU 63 -0.311 5.741 -9.315 470 1HB LEU 63 2HB LEU 63 2.118 5.416 -10.526 471 2HB LEU 63 1HB LEU 63 2.271 7.042 -9.891 472 HG LEU 63 HG LEU 63 3.174 5.256 -8.402 473 1HD1 LEU 63 1HD1 LEU 63 2.231 6.131 -6.357 474 2HD1 LEU 63 2HD1 LEU 63 0.887 6.838 -7.256 475 3HD1 LEU 63 3HD1 LEU 63 2.530 7.426 -7.515 476 1HD2 LEU 63 1HD2 LEU 63 1.511 3.537 -8.864 477 2HD2 LEU 63 2HD2 LEU 63 0.269 4.517 -8.088 478 3HD2 LEU 63 3HD2 LEU 63 1.611 3.880 -7.137 479 H ALA 64 H ALA 64 0.944 8.247 -11.495 480 HA ALA 64 HA ALA 64 0.414 10.451 -9.823 481 1HB ALA 64 1HB ALA 64 0.497 10.400 -12.838 482 2HB ALA 64 2HB ALA 64 1.902 10.529 -11.786 483 3HB ALA 64 3HB ALA 64 0.696 11.816 -11.805 484 H GLU 65 H GLU 65 -1.584 8.598 -11.978 485 HA GLU 65 HA GLU 65 -3.745 10.423 -12.207 486 1HB GLU 65 2HB GLU 65 -3.477 8.572 -13.770 487 2HB GLU 65 1HB GLU 65 -3.651 7.408 -12.466 488 1HG GLU 65 2HG GLU 65 -5.958 8.065 -12.148 489 2HG GLU 65 1HG GLU 65 -5.799 9.305 -13.392 490 H LEU 66 H LEU 66 -3.231 7.583 -10.136 491 HA LEU 66 HA LEU 66 -5.587 7.831 -8.627 492 1HB LEU 66 2HB LEU 66 -4.078 5.824 -8.735 493 2HB LEU 66 1HB LEU 66 -2.949 6.674 -7.703 494 HG LEU 66 HG LEU 66 -5.760 6.243 -6.760 495 1HD1 LEU 66 1HD1 LEU 66 -5.029 4.055 -7.538 496 2HD1 LEU 66 2HD1 LEU 66 -5.065 4.099 -5.774 497 3HD1 LEU 66 3HD1 LEU 66 -3.527 4.216 -6.628 498 1HD2 LEU 66 1HD2 LEU 66 -4.233 7.694 -5.471 499 2HD2 LEU 66 2HD2 LEU 66 -3.110 6.344 -5.313 500 3HD2 LEU 66 3HD2 LEU 66 -4.706 6.254 -4.567 501 H ASP 67 H ASP 67 -2.358 9.196 -8.200 502 HA ASP 67 HA ASP 67 -2.796 10.358 -5.680 503 1HB ASP 67 2HB ASP 67 -0.820 10.736 -7.857 504 2HB ASP 67 1HB ASP 67 -0.973 12.039 -6.682 505 H ALA 68 H ALA 68 -3.217 11.703 -8.943 506 HA ALA 68 HA ALA 68 -3.932 14.301 -8.101 507 1HB ALA 68 1HB ALA 68 -4.798 14.607 -10.356 508 2HB ALA 68 2HB ALA 68 -4.711 12.867 -10.636 509 3HB ALA 68 3HB ALA 68 -3.233 13.796 -10.386 510 H LEU 69 H LEU 69 -5.733 11.348 -8.366 511 HA LEU 69 HA LEU 69 -8.295 12.663 -8.137 512 1HB LEU 69 2HB LEU 69 -7.371 9.830 -8.383 513 2HB LEU 69 1HB LEU 69 -9.014 10.175 -7.877 514 HG LEU 69 HG LEU 69 -7.781 11.139 -10.457 515 1HD1 LEU 69 1HD1 LEU 69 -8.021 8.719 -10.474 516 2HD1 LEU 69 2HD1 LEU 69 -9.223 9.467 -11.528 517 3HD1 LEU 69 3HD1 LEU 69 -9.694 8.866 -9.938 518 1HD2 LEU 69 1HD2 LEU 69 -10.591 11.228 -9.376 519 2HD2 LEU 69 2HD2 LEU 69 -10.123 11.673 -11.020 520 3HD2 LEU 69 3HD2 LEU 69 -9.520 12.603 -9.646 521 H ARG 70 H ARG 70 -6.348 10.481 -6.095 522 HA ARG 70 HA ARG 70 -8.426 10.550 -4.086 523 1HB ARG 70 2HB ARG 70 -7.313 8.438 -4.669 524 2HB ARG 70 1HB ARG 70 -5.785 9.088 -4.096 525 1HG ARG 70 2HG ARG 70 -6.609 9.193 -1.842 526 2HG ARG 70 1HG ARG 70 -8.223 8.708 -2.369 527 1HD ARG 70 2HD ARG 70 -7.276 6.564 -3.154 528 2HD ARG 70 1HD ARG 70 -5.704 7.055 -2.525 529 HE ARG 70 HE ARG 70 -7.770 7.151 -0.541 530 1HH1 ARG 70 1HH1 ARG 70 -5.477 5.057 -2.154 531 2HH1 ARG 70 2HH1 ARG 70 -5.451 3.880 -0.877 532 1HH2 ARG 70 1HH2 ARG 70 -7.722 5.633 1.160 533 2HH2 ARG 70 2HH2 ARG 70 -6.731 4.212 1.018 534 H THR 71 H THR 71 -5.081 11.713 -4.386 535 HA THR 71 HA THR 71 -5.276 12.711 -1.628 536 HB THR 71 HB THR 71 -2.723 12.989 -1.913 537 HG1 THR 71 HG1 THR 71 -2.336 10.929 -3.500 538 1HG2 THR 71 1HG2 THR 71 -2.341 10.674 -1.219 539 2HG2 THR 71 2HG2 THR 71 -3.954 10.238 -1.784 540 3HG2 THR 71 3HG2 THR 71 -3.766 11.354 -0.430 541 H ARG 72 H ARG 72 -3.644 13.684 -4.637 542 HA ARG 72 HA ARG 72 -2.926 15.669 -5.408 543 1HB ARG 72 2HB ARG 72 -5.382 16.037 -5.583 544 2HB ARG 72 1HB ARG 72 -5.332 16.812 -4.008 545 1HG ARG 72 2HG ARG 72 -3.924 18.566 -4.855 546 2HG ARG 72 1HG ARG 72 -3.780 17.748 -6.412 547 1HD ARG 72 2HD ARG 72 -5.390 19.399 -6.776 548 2HD ARG 72 1HD ARG 72 -6.318 17.921 -6.535 549 HE ARG 72 HE ARG 72 -6.307 18.920 -4.066 550 1HH1 ARG 72 1HH1 ARG 72 -6.958 20.434 -7.156 551 2HH1 ARG 72 2HH1 ARG 72 -8.018 21.635 -6.488 552 1HH2 ARG 72 1HH2 ARG 72 -7.721 20.498 -3.181 553 2HH2 ARG 72 2HH2 ARG 72 -8.441 21.684 -4.231 554 H GLY 73 H GLY 73 -4.288 16.600 -2.256 555 1HA GLY 73 2HA GLY 73 -1.885 18.162 -1.710 556 2HA GLY 73 1HA GLY 73 -3.371 18.172 -0.772 557 H GLY 74 H GLY 74 -3.656 16.668 0.889 558 1HA GLY 74 2HA GLY 74 -1.462 14.833 1.449 559 2HA GLY 74 1HA GLY 74 -1.649 16.178 2.559 560 H GLU 75 H GLU 75 -4.204 14.293 0.982 561 HA GLU 75 HA GLU 75 -5.638 13.773 3.346 562 1HB GLU 75 2HB GLU 75 -6.559 13.577 1.032 563 2HB GLU 75 1HB GLU 75 -5.589 12.131 0.799 564 1HG GLU 75 2HG GLU 75 -7.823 11.467 1.285 565 2HG GLU 75 1HG GLU 75 -6.814 11.070 2.673 566 H TYR 76 H TYR 76 -3.193 11.973 1.591 567 HA TYR 76 HA TYR 76 -2.534 10.510 4.050 568 1HB TYR 76 2HB TYR 76 -2.323 9.276 1.294 569 2HB TYR 76 1HB TYR 76 -2.077 8.485 2.840 570 HD1 TYR 76 HD1 TYR 76 -3.945 7.660 4.122 571 HD2 TYR 76 HD2 TYR 76 -4.579 9.727 0.465 572 HE1 TYR 76 HE1 TYR 76 -6.262 6.838 4.066 573 HE2 TYR 76 HE2 TYR 76 -6.898 8.918 0.402 574 HH TYR 76 HH TYR 76 -8.458 7.564 3.018 575 H ALA 77 H ALA 77 -0.264 9.914 4.121 576 HA ALA 77 HA ALA 77 1.452 11.632 2.522 577 1HB ALA 77 1HB ALA 77 2.152 9.652 4.686 578 2HB ALA 77 2HB ALA 77 2.004 11.401 4.869 579 3HB ALA 77 3HB ALA 77 3.292 10.724 3.875 580 H ARG 78 H ARG 78 2.692 10.979 0.869 581 HA ARG 78 HA ARG 78 2.341 8.289 -0.121 582 1HB ARG 78 2HB ARG 78 3.958 10.610 -1.188 583 2HB ARG 78 1HB ARG 78 3.715 9.076 -2.019 584 1HG ARG 78 2HG ARG 78 1.413 9.483 -2.310 585 2HG ARG 78 1HG ARG 78 1.431 10.829 -1.170 586 1HD ARG 78 2HD ARG 78 2.852 12.092 -2.712 587 2HD ARG 78 1HD ARG 78 2.800 10.753 -3.854 588 HE ARG 78 HE ARG 78 0.318 11.118 -3.875 589 1HH1 ARG 78 1HH1 ARG 78 2.546 13.750 -3.171 590 2HH1 ARG 78 2HH1 ARG 78 1.451 14.982 -3.737 591 1HH2 ARG 78 1HH2 ARG 78 -1.108 12.742 -4.577 592 2HH2 ARG 78 2HH2 ARG 78 -0.618 14.407 -4.532 593 H GLN 79 H GLN 79 3.422 6.812 0.964 594 HA GLN 79 HA GLN 79 6.116 7.439 1.948 595 1HB GLN 79 2HB GLN 79 4.410 6.694 3.613 596 2HB GLN 79 1HB GLN 79 4.261 5.180 2.739 597 1HG GLN 79 2HG GLN 79 6.576 4.644 3.222 598 2HG GLN 79 1HG GLN 79 6.774 6.185 4.054 599 1HE2 GLN 79 1HE2 GLN 79 3.857 4.283 4.309 600 2HE2 GLN 79 2HE2 GLN 79 4.086 3.812 5.953 601 H LEU 80 H LEU 80 7.482 6.949 0.343 602 HA LEU 80 HA LEU 80 7.038 4.681 -1.360 603 1HB LEU 80 2HB LEU 80 8.135 6.723 -2.187 604 2HB LEU 80 1HB LEU 80 9.469 6.445 -1.081 605 HG LEU 80 HG LEU 80 9.896 4.275 -2.241 606 1HD1 LEU 80 1HD1 LEU 80 7.694 3.935 -3.206 607 2HD1 LEU 80 2HD1 LEU 80 8.927 3.960 -4.467 608 3HD1 LEU 80 3HD1 LEU 80 7.895 5.368 -4.214 609 1HD2 LEU 80 1HD2 LEU 80 10.943 5.317 -4.211 610 2HD2 LEU 80 2HD2 LEU 80 11.229 6.237 -2.733 611 3HD2 LEU 80 3HD2 LEU 80 10.026 6.788 -3.898 612 H ILE 81 H ILE 81 7.271 2.732 -0.549 613 HA ILE 81 HA ILE 81 9.368 2.265 1.447 614 HB ILE 81 HB ILE 81 8.158 0.157 1.943 615 1HG1 ILE 81 2HG1 ILE 81 5.998 1.270 0.145 616 2HG1 ILE 81 1HG1 ILE 81 7.086 -0.021 -0.335 617 1HG2 ILE 81 1HG2 ILE 81 6.237 1.255 3.048 618 2HG2 ILE 81 2HG2 ILE 81 6.566 2.710 2.100 619 3HG2 ILE 81 3HG2 ILE 81 7.754 2.132 3.267 620 1HD1 ILE 81 1HD1 ILE 81 4.930 -0.881 0.391 621 2HD1 ILE 81 2HD1 ILE 81 5.152 -0.121 1.968 622 3HD1 ILE 81 3HD1 ILE 81 6.227 -1.424 1.456 623 H GLN 82 H GLN 82 10.933 0.790 1.157 624 HA GLN 82 HA GLN 82 11.413 0.014 -1.585 625 1HB GLN 82 2HB GLN 82 13.228 1.031 -0.293 626 2HB GLN 82 1HB GLN 82 13.145 -0.277 0.878 627 1HG GLN 82 2HG GLN 82 15.012 -0.434 -0.774 628 2HG GLN 82 1HG GLN 82 13.967 -1.850 -0.686 629 1HE2 GLN 82 1HE2 GLN 82 12.970 1.092 -2.275 630 2HE2 GLN 82 2HE2 GLN 82 13.008 0.454 -3.884 631 H THR 83 H THR 83 10.385 -1.740 -2.241 632 HA THR 83 HA THR 83 10.319 -4.083 -0.463 633 HB THR 83 HB THR 83 8.410 -4.801 -1.543 634 HG1 THR 83 HG1 THR 83 8.957 -3.247 -3.865 635 1HG2 THR 83 1HG2 THR 83 7.854 -2.637 -0.608 636 2HG2 THR 83 2HG2 THR 83 6.977 -2.856 -2.122 637 3HG2 THR 83 3HG2 THR 83 8.413 -1.826 -2.075 638 HA PRO 84 HA PRO 84 13.277 -6.327 -2.941 639 1HB PRO 84 2HB PRO 84 11.350 -8.561 -3.199 640 2HB PRO 84 1HB PRO 84 12.974 -8.552 -2.505 641 1HG PRO 84 2HG PRO 84 10.803 -8.714 -0.951 642 2HG PRO 84 1HG PRO 84 12.233 -7.793 -0.447 643 1HD PRO 84 2HD PRO 84 9.632 -6.810 -1.548 644 2HD PRO 84 1HD PRO 84 10.639 -6.124 -0.255 645 H TYR 85 H TYR 85 10.030 -5.887 -4.040 646 HA TYR 85 HA TYR 85 10.610 -6.765 -6.759 647 1HB TYR 85 2HB TYR 85 8.059 -5.499 -5.746 648 2HB TYR 85 1HB TYR 85 8.270 -6.507 -7.173 649 HD1 TYR 85 HD1 TYR 85 8.552 -8.952 -6.931 650 HD2 TYR 85 HD2 TYR 85 7.772 -6.460 -3.577 651 HE1 TYR 85 HE1 TYR 85 7.919 -10.932 -5.614 652 HE2 TYR 85 HE2 TYR 85 7.145 -8.429 -2.246 653 HH TYR 85 HH TYR 85 6.344 -10.708 -2.583 654 H GLY 86 H GLY 86 11.109 -4.070 -4.955 655 1HA GLY 86 2HA GLY 86 12.159 -2.210 -6.266 656 2HA GLY 86 1HA GLY 86 10.689 -2.235 -7.230 657 H SER 87 H SER 87 11.470 0.100 -6.027 658 HA SER 87 HA SER 87 10.298 0.513 -3.493 659 1HB SER 87 2HB SER 87 10.420 2.957 -4.251 660 2HB SER 87 1HB SER 87 11.935 2.064 -4.148 661 HG SER 87 HG SER 87 11.174 3.372 -6.197 662 H ALA 88 H ALA 88 8.233 0.638 -2.946 663 HA ALA 88 HA ALA 88 6.253 1.174 -5.070 664 1HB ALA 88 1HB ALA 88 4.703 -0.277 -3.872 665 2HB ALA 88 2HB ALA 88 5.925 -0.588 -2.640 666 3HB ALA 88 3HB ALA 88 6.177 -1.149 -4.292 667 H TRP 89 H TRP 89 4.495 2.491 -4.569 668 HA TRP 89 HA TRP 89 4.987 4.353 -2.405 669 1HB TRP 89 2HB TRP 89 2.867 4.319 -4.562 670 2HB TRP 89 1HB TRP 89 3.088 5.613 -3.394 671 HD1 TRP 89 HD1 TRP 89 4.559 4.190 -6.568 672 HE1 TRP 89 HE1 TRP 89 6.338 5.817 -7.450 673 HE3 TRP 89 HE3 TRP 89 4.788 7.408 -2.595 674 HZ2 TRP 89 HZ2 TRP 89 7.677 8.156 -6.591 675 HZ3 TRP 89 HZ3 TRP 89 6.344 9.309 -2.703 676 HH2 TRP 89 HH2 TRP 89 7.756 9.676 -4.662 677 H MET 90 H MET 90 4.170 4.110 -0.460 678 HA MET 90 HA MET 90 1.660 2.613 -0.083 679 1HB MET 90 2HB MET 90 3.811 2.002 1.173 680 2HB MET 90 1HB MET 90 3.602 3.513 2.053 681 1HG MET 90 2HG MET 90 1.439 2.723 2.878 682 2HG MET 90 1HG MET 90 1.665 1.206 2.006 683 1HE MET 90 1HE MET 90 2.180 -0.020 5.651 684 2HE MET 90 2HE MET 90 1.362 -0.294 4.113 685 3HE MET 90 3HE MET 90 0.997 1.149 5.062 686 H TYR 91 H TYR 91 -0.005 3.560 1.255 687 HA TYR 91 HA TYR 91 0.212 6.487 1.530 688 1HB TYR 91 2HB TYR 91 -2.187 4.813 0.763 689 2HB TYR 91 1HB TYR 91 -2.300 6.505 1.226 690 HD1 TYR 91 HD1 TYR 91 -1.587 8.255 -0.281 691 HD2 TYR 91 HD2 TYR 91 -1.142 4.162 -1.358 692 HE1 TYR 91 HE1 TYR 91 -1.156 8.922 -2.609 693 HE2 TYR 91 HE2 TYR 91 -0.722 4.817 -3.690 694 HH TYR 91 HH TYR 91 -0.310 8.162 -4.629 695 H VAL 92 H VAL 92 0.179 7.153 3.588 696 HA VAL 92 HA VAL 92 -1.206 5.468 5.559 697 HB VAL 92 HB VAL 92 1.176 7.275 5.780 698 1HG1 VAL 92 1HG1 VAL 92 -0.328 8.103 7.513 699 2HG1 VAL 92 2HG1 VAL 92 1.016 7.211 8.226 700 3HG1 VAL 92 3HG1 VAL 92 -0.574 6.458 8.100 701 1HG2 VAL 92 1HG2 VAL 92 2.054 5.362 7.052 702 2HG2 VAL 92 2HG2 VAL 92 1.531 4.901 5.433 703 3HG2 VAL 92 3HG2 VAL 92 0.513 4.527 6.829 704 H TYR 93 H TYR 93 -3.016 6.181 6.404 705 HA TYR 93 HA TYR 93 -4.231 8.602 5.612 706 1HB TYR 93 2HB TYR 93 -5.464 6.549 6.312 707 2HB TYR 93 1HB TYR 93 -4.948 6.835 7.968 708 HD1 TYR 93 HD1 TYR 93 -6.770 7.487 9.240 709 HD2 TYR 93 HD2 TYR 93 -6.348 9.080 5.319 710 HE1 TYR 93 HE1 TYR 93 -8.760 8.887 9.600 711 HE2 TYR 93 HE2 TYR 93 -8.332 10.491 5.674 712 HH TYR 93 HH TYR 93 -10.328 10.543 7.069 713 H GLN 94 H GLN 94 -3.927 10.567 6.295 714 HA GLN 94 HA GLN 94 -1.990 10.941 8.413 715 1HB GLN 94 2HB GLN 94 -2.430 12.137 5.964 716 2HB GLN 94 1HB GLN 94 -2.997 13.338 7.114 717 1HG GLN 94 2HG GLN 94 -0.836 13.948 7.101 718 2HG GLN 94 1HG GLN 94 -0.697 12.651 8.286 719 1HE2 GLN 94 1HE2 GLN 94 -0.048 10.530 7.484 720 2HE2 GLN 94 2HE2 GLN 94 1.016 10.457 6.136 721 H ARG 95 H ARG 95 -5.346 11.605 7.770 722 HA ARG 95 HA ARG 95 -5.551 13.521 9.916 723 1HB ARG 95 2HB ARG 95 -7.694 12.327 8.150 724 2HB ARG 95 1HB ARG 95 -7.893 13.707 9.226 725 1HG ARG 95 2HG ARG 95 -6.054 14.830 7.899 726 2HG ARG 95 1HG ARG 95 -6.236 13.524 6.731 727 1HD ARG 95 2HD ARG 95 -8.444 15.366 7.622 728 2HD ARG 95 1HD ARG 95 -7.516 15.550 6.136 729 HE ARG 95 HE ARG 95 -8.445 13.342 5.467 730 1HH1 ARG 95 1HH1 ARG 95 -10.078 15.224 7.935 731 2HH1 ARG 95 2HH1 ARG 95 -11.658 14.633 7.521 732 1HH2 ARG 95 1HH2 ARG 95 -10.509 12.574 4.919 733 2HH2 ARG 95 2HH2 ARG 95 -11.909 13.141 5.786 734 HA PRO 96 HA PRO 96 -6.848 11.044 13.311 735 1HB PRO 96 2HB PRO 96 -9.423 12.535 13.353 736 2HB PRO 96 1HB PRO 96 -8.251 12.276 14.649 737 1HG PRO 96 2HG PRO 96 -8.423 14.634 13.423 738 2HG PRO 96 1HG PRO 96 -6.850 13.964 13.898 739 1HD PRO 96 2HD PRO 96 -8.118 14.103 11.199 740 2HD PRO 96 1HD PRO 96 -6.412 14.279 11.656 741 H VAL 97 H VAL 97 -7.691 9.080 13.435 742 HA VAL 97 HA VAL 97 -9.513 8.140 11.437 743 HB VAL 97 HB VAL 97 -9.314 5.937 12.672 744 1HG1 VAL 97 1HG1 VAL 97 -7.961 6.485 10.722 745 2HG1 VAL 97 2HG1 VAL 97 -7.025 5.547 11.887 746 3HG1 VAL 97 3HG1 VAL 97 -6.777 7.289 11.754 747 1HG2 VAL 97 1HG2 VAL 97 -8.741 6.843 14.885 748 2HG2 VAL 97 2HG2 VAL 97 -7.216 7.446 14.236 749 3HG2 VAL 97 3HG2 VAL 97 -7.520 5.710 14.305 750 H ASP 98 H ASP 98 -11.044 9.715 12.096 751 HA ASP 98 HA ASP 98 -12.453 10.066 14.347 752 1HB ASP 98 2HB ASP 98 -12.754 11.235 12.157 753 2HB ASP 98 1HB ASP 98 -13.747 9.878 11.645 754 H GLY 99 H GLY 99 -13.790 8.015 11.890 755 1HA GLY 99 2HA GLY 99 -14.747 6.168 13.971 756 2HA GLY 99 1HA GLY 99 -15.886 6.831 12.805 757 H LEU 100 H LEU 100 -12.691 5.262 12.781 758 HA LEU 100 HA LEU 100 -13.602 3.733 10.431 759 1HB LEU 100 2HB LEU 100 -10.733 4.180 11.216 760 2HB LEU 100 1HB LEU 100 -11.349 3.578 9.694 761 HG LEU 100 HG LEU 100 -11.518 6.407 10.723 762 1HD1 LEU 100 1HD1 LEU 100 -10.131 5.202 8.334 763 2HD1 LEU 100 2HD1 LEU 100 -9.353 5.759 9.814 764 3HD1 LEU 100 3HD1 LEU 100 -10.167 6.913 8.757 765 1HD2 LEU 100 1HD2 LEU 100 -12.582 6.916 8.542 766 2HD2 LEU 100 2HD2 LEU 100 -13.587 5.931 9.602 767 3HD2 LEU 100 3HD2 LEU 100 -12.734 5.183 8.254 768 H LYS 101 H LYS 101 -12.895 1.522 10.268 769 HA LYS 101 HA LYS 101 -12.672 0.269 12.907 770 1HB LYS 101 2HB LYS 101 -13.484 -0.825 10.214 771 2HB LYS 101 1HB LYS 101 -13.265 -1.831 11.640 772 1HG LYS 101 2HG LYS 101 -15.039 -0.685 12.784 773 2HG LYS 101 1HG LYS 101 -15.192 0.474 11.463 774 1HD LYS 101 2HD LYS 101 -15.594 -2.487 11.101 775 2HD LYS 101 1HD LYS 101 -16.906 -1.384 11.521 776 1HE LYS 101 2HE LYS 101 -15.147 -1.136 9.081 777 2HE LYS 101 1HE LYS 101 -16.762 -1.844 9.094 778 1HZ LYS 101 1HZ LYS 101 -17.579 0.329 9.951 779 2HZ LYS 101 2HZ LYS 101 -16.950 0.402 8.380 780 3HZ LYS 101 3HZ LYS 101 -16.034 0.976 9.684 781 H LEU 102 H LEU 102 -10.757 -0.364 13.570 782 HA LEU 102 HA LEU 102 -8.546 -0.411 11.671 783 1HB LEU 102 2HB LEU 102 -8.258 0.906 13.672 784 2HB LEU 102 1HB LEU 102 -8.673 -0.461 14.685 785 HG LEU 102 HG LEU 102 -6.608 -1.600 14.019 786 1HD1 LEU 102 1HD1 LEU 102 -4.889 -0.254 12.793 787 2HD1 LEU 102 2HD1 LEU 102 -6.172 0.880 12.373 788 3HD1 LEU 102 3HD1 LEU 102 -6.255 -0.793 11.818 789 1HD2 LEU 102 1HD2 LEU 102 -5.035 -0.099 15.158 790 2HD2 LEU 102 2HD2 LEU 102 -6.580 -0.213 16.001 791 3HD2 LEU 102 3HD2 LEU 102 -6.206 1.212 15.029 792 H ILE 103 H ILE 103 -7.714 -2.238 10.884 793 HA ILE 103 HA ILE 103 -8.281 -4.771 12.233 794 HB ILE 103 HB ILE 103 -6.616 -4.580 9.741 795 1HG1 ILE 103 2HG1 ILE 103 -9.643 -4.729 9.736 796 2HG1 ILE 103 1HG1 ILE 103 -8.723 -3.279 9.331 797 1HG2 ILE 103 1HG2 ILE 103 -6.664 -6.719 10.740 798 2HG2 ILE 103 2HG2 ILE 103 -7.765 -6.801 9.364 799 3HG2 ILE 103 3HG2 ILE 103 -8.405 -6.643 10.998 800 1HD1 ILE 103 1HD1 ILE 103 -8.594 -5.910 7.860 801 2HD1 ILE 103 2HD1 ILE 103 -7.691 -4.453 7.449 802 3HD1 ILE 103 3HD1 ILE 103 -9.451 -4.464 7.328 803 H GLU 104 H GLU 104 -6.976 -4.798 13.978 804 HA GLU 104 HA GLU 104 -4.254 -4.087 14.047 805 1HB GLU 104 2HB GLU 104 -4.297 -5.549 16.184 806 2HB GLU 104 1HB GLU 104 -5.227 -4.063 16.130 807 1HG GLU 104 2HG GLU 104 -6.561 -5.713 17.176 808 2HG GLU 104 1HG GLU 104 -7.240 -5.431 15.578 809 H SER 105 H SER 105 -4.989 -5.983 11.913 810 HA SER 105 HA SER 105 -2.764 -7.795 12.112 811 1HB SER 105 2HB SER 105 -5.572 -8.923 11.902 812 2HB SER 105 1HB SER 105 -4.078 -9.850 11.808 813 HG SER 105 HG SER 105 -5.271 -8.584 14.032 814 H GLY 106 H GLY 106 -4.239 -5.644 10.427 815 1HA GLY 106 2HA GLY 106 -4.611 -5.161 8.196 816 2HA GLY 106 1HA GLY 106 -3.006 -5.852 8.093 817 H ASP 107 H ASP 107 -6.262 -7.269 8.499 818 HA ASP 107 HA ASP 107 -5.797 -8.775 6.027 819 1HB ASP 107 2HB ASP 107 -5.259 -10.066 8.207 820 2HB ASP 107 1HB ASP 107 -7.006 -10.106 8.439 821 H TRP 108 H TRP 108 -7.518 -8.951 4.749 822 HA TRP 108 HA TRP 108 -9.984 -7.632 5.575 823 1HB TRP 108 2HB TRP 108 -10.484 -7.669 3.077 824 2HB TRP 108 1HB TRP 108 -9.090 -6.709 3.549 825 HD1 TRP 108 HD1 TRP 108 -10.038 -9.400 1.170 826 HE1 TRP 108 HE1 TRP 108 -7.909 -10.369 0.071 827 HE3 TRP 108 HE3 TRP 108 -6.580 -7.294 4.214 828 HZ2 TRP 108 HZ2 TRP 108 -5.098 -10.244 0.490 829 HZ3 TRP 108 HZ3 TRP 108 -4.233 -7.735 3.854 830 HH2 TRP 108 HH2 TRP 108 -3.474 -9.188 2.014 831 H LEU 109 H LEU 109 -8.708 -10.638 5.391 832 HA LEU 109 HA LEU 109 -11.192 -11.965 4.538 833 1HB LEU 109 2HB LEU 109 -8.379 -13.043 4.762 834 2HB LEU 109 1HB LEU 109 -9.769 -13.915 4.141 835 HG LEU 109 HG LEU 109 -9.220 -11.377 2.770 836 1HD1 LEU 109 1HD1 LEU 109 -7.345 -12.302 1.483 837 2HD1 LEU 109 2HD1 LEU 109 -7.269 -13.669 2.597 838 3HD1 LEU 109 3HD1 LEU 109 -6.938 -12.033 3.177 839 1HD2 LEU 109 1HD2 LEU 109 -10.917 -12.939 2.026 840 2HD2 LEU 109 2HD2 LEU 109 -9.699 -14.203 1.847 841 3HD2 LEU 109 3HD2 LEU 109 -9.648 -12.774 0.811 842 H ASP 110 H ASP 110 -10.253 -10.794 7.216 843 HA ASP 110 HA ASP 110 -9.947 -13.022 8.964 844 1HB ASP 110 2HB ASP 110 -9.103 -10.760 9.537 845 2HB ASP 110 1HB ASP 110 -10.769 -10.207 9.694 846 H ARG 111 H ARG 111 -11.754 -14.073 7.860 847 HA ARG 111 HA ARG 111 -14.064 -14.037 9.631 848 1HB ARG 111 2HB ARG 111 -15.478 -14.408 7.461 849 2HB ARG 111 1HB ARG 111 -15.023 -12.764 7.890 850 1HG ARG 111 2HG ARG 111 -13.557 -12.560 6.158 851 2HG ARG 111 1HG ARG 111 -13.177 -14.279 6.127 852 1HD ARG 111 2HD ARG 111 -15.421 -14.698 5.149 853 2HD ARG 111 1HD ARG 111 -15.672 -12.952 5.076 854 HE ARG 111 HE ARG 111 -13.969 -12.800 3.437 855 1HH1 ARG 111 1HH1 ARG 111 -14.739 -16.108 4.319 856 2HH1 ARG 111 2HH1 ARG 111 -13.998 -16.795 2.908 857 1HH2 ARG 111 1HH2 ARG 111 -13.028 -13.706 1.548 858 2HH2 ARG 111 2HH2 ARG 111 -13.048 -15.435 1.333 859 H ASP 112 H ASP 112 -14.637 -15.847 6.886 860 HA ASP 112 HA ASP 112 -14.029 -17.810 5.968 861 1HB ASP 112 2HB ASP 112 -11.881 -16.365 6.094 862 2HB ASP 112 1HB ASP 112 -11.380 -17.528 7.306 863 H LYS 113 H LYS 113 -15.205 -17.878 8.659 864 HA LYS 113 HA LYS 113 -13.912 -20.076 10.016 865 1HB LYS 113 2HB LYS 113 -15.203 -18.152 11.108 866 2HB LYS 113 1HB LYS 113 -16.662 -18.963 10.562 867 1HG LYS 113 2HG LYS 113 -16.208 -20.859 11.928 868 2HG LYS 113 1HG LYS 113 -14.601 -20.247 12.330 869 1HD LYS 113 2HD LYS 113 -15.721 -18.259 13.371 870 2HD LYS 113 1HD LYS 113 -17.265 -19.077 13.125 871 1HE LYS 113 2HE LYS 113 -16.550 -20.912 14.543 872 2HE LYS 113 1HE LYS 113 -14.958 -20.173 14.731 873 1HZ LYS 113 1HZ LYS 113 -16.208 -19.640 16.654 874 2HZ LYS 113 2HZ LYS 113 -17.555 -19.154 15.746 875 3HZ LYS 113 3HZ LYS 113 -16.137 -18.224 15.728 Start of MODEL 9 1 1H MET 1 1HT MET 1 5.223 3.115 -13.502 2 2H MET 1 2HT MET 1 3.861 2.271 -12.950 3 3H MET 1 3HT MET 1 5.336 1.464 -13.143 4 HA MET 1 HA MET 1 6.333 2.751 -11.415 5 1HB MET 1 2HB MET 1 4.695 4.705 -11.912 6 2HB MET 1 1HB MET 1 3.621 3.881 -10.789 7 1HG MET 1 2HG MET 1 5.184 4.117 -9.007 8 2HG MET 1 1HG MET 1 6.427 4.712 -10.105 9 1HE MET 1 1HE MET 1 6.277 7.086 -11.350 10 2HE MET 1 2HE MET 1 4.928 8.203 -11.141 11 3HE MET 1 3HE MET 1 4.679 6.665 -11.968 12 H ARG 2 H ARG 2 5.645 2.364 -8.947 13 HA ARG 2 HA ARG 2 4.166 -0.172 -8.927 14 1HB ARG 2 2HB ARG 2 6.589 0.663 -7.323 15 2HB ARG 2 1HB ARG 2 5.691 -0.814 -7.063 16 1HG ARG 2 2HG ARG 2 6.352 -1.693 -9.168 17 2HG ARG 2 1HG ARG 2 7.023 -0.138 -9.664 18 1HD ARG 2 2HD ARG 2 8.674 -0.303 -7.837 19 2HD ARG 2 1HD ARG 2 8.030 -1.890 -7.427 20 HE ARG 2 HE ARG 2 9.108 -2.788 -9.251 21 1HH1 ARG 2 1HH1 ARG 2 9.309 0.712 -9.372 22 2HH1 ARG 2 2HH1 ARG 2 10.512 0.721 -10.624 23 1HH2 ARG 2 1HH2 ARG 2 10.709 -2.762 -10.889 24 2HH2 ARG 2 2HH2 ARG 2 11.294 -1.241 -11.489 25 H ILE 3 H ILE 3 2.853 -0.604 -7.167 26 HA ILE 3 HA ILE 3 2.640 1.415 -5.071 27 HB ILE 3 HB ILE 3 0.996 2.165 -6.674 28 1HG1 ILE 3 2HG1 ILE 3 -0.372 0.710 -4.398 29 2HG1 ILE 3 1HG1 ILE 3 0.411 2.282 -4.272 30 1HG2 ILE 3 1HG2 ILE 3 0.709 0.099 -7.921 31 2HG2 ILE 3 2HG2 ILE 3 -0.853 0.750 -7.420 32 3HG2 ILE 3 3HG2 ILE 3 -0.150 -0.621 -6.559 33 1HD1 ILE 3 1HD1 ILE 3 -1.207 3.197 -5.864 34 2HD1 ILE 3 2HD1 ILE 3 -1.989 2.520 -4.436 35 3HD1 ILE 3 3HD1 ILE 3 -1.996 1.624 -5.954 36 H PHE 4 H PHE 4 2.060 0.604 -3.115 37 HA PHE 4 HA PHE 4 1.935 -2.291 -2.881 38 1HB PHE 4 2HB PHE 4 3.412 -1.025 -1.365 39 2HB PHE 4 1HB PHE 4 2.026 -0.125 -0.761 40 HD1 PHE 4 HD1 PHE 4 3.856 -3.271 -0.641 41 HD2 PHE 4 HD2 PHE 4 0.384 -1.198 0.681 42 HE1 PHE 4 HE1 PHE 4 3.502 -4.978 1.098 43 HE2 PHE 4 HE2 PHE 4 0.016 -2.899 2.415 44 HZ PHE 4 HZ PHE 4 1.580 -4.793 2.629 45 H VAL 5 H VAL 5 0.021 -3.245 -3.028 46 HA VAL 5 HA VAL 5 -2.384 -1.716 -2.451 47 HB VAL 5 HB VAL 5 -2.027 -4.450 -3.694 48 1HG1 VAL 5 1HG1 VAL 5 -4.410 -4.379 -4.183 49 2HG1 VAL 5 2HG1 VAL 5 -4.552 -2.840 -3.333 50 3HG1 VAL 5 3HG1 VAL 5 -4.131 -4.302 -2.443 51 1HG2 VAL 5 1HG2 VAL 5 -1.285 -2.624 -5.119 52 2HG2 VAL 5 2HG2 VAL 5 -2.816 -1.784 -4.873 53 3HG2 VAL 5 3HG2 VAL 5 -2.782 -3.318 -5.743 54 H TYR 6 H TYR 6 -3.691 -2.068 -0.790 55 HA TYR 6 HA TYR 6 -2.779 -3.923 1.278 56 1HB TYR 6 2HB TYR 6 -4.957 -1.936 1.763 57 2HB TYR 6 1HB TYR 6 -3.662 -2.461 2.836 58 HD1 TYR 6 HD1 TYR 6 -1.441 -1.453 2.688 59 HD2 TYR 6 HD2 TYR 6 -4.611 -0.144 0.177 60 HE1 TYR 6 HE1 TYR 6 -0.119 0.525 2.053 61 HE2 TYR 6 HE2 TYR 6 -3.305 1.837 -0.460 62 HH TYR 6 HH TYR 6 -0.115 2.085 -0.108 63 H GLY 7 H GLY 7 -6.060 -2.692 0.763 64 1HA GLY 7 2HA GLY 7 -7.296 -5.195 1.157 65 2HA GLY 7 1HA GLY 7 -8.053 -3.792 0.405 66 H SER 8 H SER 8 -7.638 -6.866 -0.167 67 HA SER 8 HA SER 8 -6.121 -7.349 -2.362 68 1HB SER 8 2HB SER 8 -8.808 -8.521 -1.659 69 2HB SER 8 1HB SER 8 -7.769 -9.159 -2.932 70 HG SER 8 HG SER 8 -6.114 -9.149 -1.126 71 H LEU 9 H LEU 9 -5.958 -6.301 -4.177 72 HA LEU 9 HA LEU 9 -8.298 -4.980 -5.350 73 1HB LEU 9 2HB LEU 9 -6.151 -3.765 -4.912 74 2HB LEU 9 1HB LEU 9 -5.388 -4.790 -6.109 75 HG LEU 9 HG LEU 9 -7.016 -3.887 -7.792 76 1HD1 LEU 9 1HD1 LEU 9 -8.725 -3.083 -6.244 77 2HD1 LEU 9 2HD1 LEU 9 -8.128 -1.774 -7.261 78 3HD1 LEU 9 3HD1 LEU 9 -7.589 -1.907 -5.588 79 1HD2 LEU 9 1HD2 LEU 9 -5.773 -1.813 -8.076 80 2HD2 LEU 9 2HD2 LEU 9 -4.710 -3.147 -7.623 81 3HD2 LEU 9 3HD2 LEU 9 -5.175 -1.940 -6.423 82 H ARG 10 H ARG 10 -7.253 -7.876 -5.398 83 HA ARG 10 HA ARG 10 -6.605 -8.574 -8.048 84 1HB ARG 10 2HB ARG 10 -7.845 -10.356 -5.946 85 2HB ARG 10 1HB ARG 10 -6.868 -10.856 -7.324 86 1HG ARG 10 2HG ARG 10 -4.961 -9.627 -6.391 87 2HG ARG 10 1HG ARG 10 -5.938 -9.201 -4.992 88 1HD ARG 10 2HD ARG 10 -6.213 -11.669 -4.578 89 2HD ARG 10 1HD ARG 10 -4.998 -11.933 -5.832 90 HE ARG 10 HE ARG 10 -4.428 -10.241 -3.476 91 1HH1 ARG 10 1HH1 ARG 10 -3.606 -12.974 -5.523 92 2HH1 ARG 10 2HH1 ARG 10 -2.065 -13.235 -4.765 93 1HH2 ARG 10 1HH2 ARG 10 -2.432 -10.569 -2.500 94 2HH2 ARG 10 2HH2 ARG 10 -1.373 -11.844 -3.040 95 H HIS 11 H HIS 11 -9.401 -7.272 -7.073 96 HA HIS 11 HA HIS 11 -11.261 -8.725 -8.697 97 1HB HIS 11 2HB HIS 11 -11.991 -7.212 -6.870 98 2HB HIS 11 1HB HIS 11 -11.319 -5.842 -7.744 99 HD1 HIS 11 HD1 HIS 11 -13.612 -4.672 -7.876 100 HD2 HIS 11 HD2 HIS 11 -13.531 -8.414 -9.689 101 HE1 HIS 11 HE1 HIS 11 -15.719 -4.812 -9.234 102 HE2 HIS 11 HE2 HIS 11 -15.572 -7.017 -10.451 103 H LYS 12 H LYS 12 -8.647 -6.651 -9.236 104 HA LYS 12 HA LYS 12 -7.540 -6.092 -11.125 105 1HB LYS 12 2HB LYS 12 -8.940 -8.268 -11.938 106 2HB LYS 12 1HB LYS 12 -9.563 -7.052 -13.044 107 1HG LYS 12 2HG LYS 12 -7.396 -6.591 -13.898 108 2HG LYS 12 1HG LYS 12 -6.626 -7.548 -12.632 109 1HD LYS 12 2HD LYS 12 -7.725 -9.564 -13.538 110 2HD LYS 12 1HD LYS 12 -8.403 -8.583 -14.838 111 1HE LYS 12 2HE LYS 12 -6.395 -9.788 -15.560 112 2HE LYS 12 1HE LYS 12 -6.169 -8.042 -15.624 113 1HZ LYS 12 1HZ LYS 12 -5.281 -9.677 -13.315 114 2HZ LYS 12 2HZ LYS 12 -4.829 -8.089 -13.701 115 3HZ LYS 12 3HZ LYS 12 -4.285 -9.381 -14.655 116 H GLN 13 H GLN 13 -10.214 -4.823 -10.055 117 HA GLN 13 HA GLN 13 -9.788 -2.296 -11.174 118 1HB GLN 13 2HB GLN 13 -10.813 -2.994 -13.182 119 2HB GLN 13 1HB GLN 13 -12.114 -3.828 -12.334 120 1HG GLN 13 2HG GLN 13 -11.748 -0.867 -12.126 121 2HG GLN 13 1HG GLN 13 -12.589 -1.590 -13.494 122 1HE2 GLN 13 1HE2 GLN 13 -13.415 0.153 -11.217 123 2HE2 GLN 13 2HE2 GLN 13 -14.758 -0.654 -10.514 124 H GLY 14 H GLY 14 -10.115 -1.108 -9.463 125 1HA GLY 14 2HA GLY 14 -12.221 -1.932 -7.567 126 2HA GLY 14 1HA GLY 14 -10.741 -1.110 -7.104 127 H ASN 15 H ASN 15 -10.749 0.850 -9.145 128 HA ASN 15 HA ASN 15 -12.988 2.515 -8.217 129 1HB ASN 15 2HB ASN 15 -10.382 3.315 -9.544 130 2HB ASN 15 1HB ASN 15 -11.653 4.433 -9.071 131 1HD2 ASN 15 1HD2 ASN 15 -12.225 2.928 -6.602 132 2HD2 ASN 15 2HD2 ASN 15 -10.933 3.316 -5.525 133 H SER 16 H SER 16 -11.095 1.813 -11.098 134 HA SER 16 HA SER 16 -13.368 1.362 -12.728 135 1HB SER 16 2HB SER 16 -13.341 3.883 -12.624 136 2HB SER 16 1HB SER 16 -11.739 3.844 -13.360 137 HG SER 16 HG SER 16 -12.754 3.782 -15.187 138 H HIS 17 H HIS 17 -12.473 1.122 -15.124 139 HA HIS 17 HA HIS 17 -10.276 -0.700 -14.968 140 1HB HIS 17 2HB HIS 17 -10.614 -1.100 -17.279 141 2HB HIS 17 1HB HIS 17 -12.215 -0.783 -16.626 142 HD1 HIS 17 HD1 HIS 17 -9.819 0.333 -19.158 143 HD2 HIS 17 HD2 HIS 17 -13.238 1.853 -17.333 144 HE1 HIS 17 HE1 HIS 17 -10.556 2.268 -20.593 145 HE2 HIS 17 HE2 HIS 17 -12.699 3.090 -19.546 146 H TRP 18 H TRP 18 -10.148 2.437 -14.658 147 HA TRP 18 HA TRP 18 -8.473 3.817 -16.137 148 1HB TRP 18 2HB TRP 18 -9.014 4.842 -14.171 149 2HB TRP 18 1HB TRP 18 -8.742 3.398 -13.213 150 HD1 TRP 18 HD1 TRP 18 -6.880 6.443 -14.628 151 HE1 TRP 18 HE1 TRP 18 -4.693 6.716 -13.300 152 HE3 TRP 18 HE3 TRP 18 -7.063 2.132 -11.911 153 HZ2 TRP 18 HZ2 TRP 18 -3.234 5.274 -11.348 154 HZ3 TRP 18 HZ3 TRP 18 -5.236 1.649 -10.333 155 HH2 TRP 18 HH2 TRP 18 -3.362 3.191 -10.057 156 H MET 19 H MET 19 -7.374 1.127 -14.084 157 HA MET 19 HA MET 19 -5.639 -0.119 -15.663 158 1HB MET 19 2HB MET 19 -4.434 2.204 -15.818 159 2HB MET 19 1HB MET 19 -3.814 1.794 -14.226 160 1HG MET 19 2HG MET 19 -3.435 0.198 -16.752 161 2HG MET 19 1HG MET 19 -2.222 1.198 -15.957 162 1HE MET 19 1HE MET 19 -1.948 -1.927 -16.830 163 2HE MET 19 2HE MET 19 -1.058 -2.567 -15.448 164 3HE MET 19 3HE MET 19 -0.611 -1.008 -16.139 165 H THR 20 H THR 20 -6.562 -1.549 -14.205 166 HA THR 20 HA THR 20 -5.293 -1.575 -11.552 167 HB THR 20 HB THR 20 -8.039 -2.562 -12.239 168 HG1 THR 20 HG1 THR 20 -7.113 0.008 -11.611 169 1HG2 THR 20 1HG2 THR 20 -7.090 -3.504 -10.214 170 2HG2 THR 20 2HG2 THR 20 -8.420 -2.415 -9.827 171 3HG2 THR 20 3HG2 THR 20 -6.753 -1.886 -9.597 172 H ASN 21 H ASN 21 -5.677 -3.104 -14.456 173 HA ASN 21 HA ASN 21 -5.917 -5.805 -13.673 174 1HB ASN 21 2HB ASN 21 -4.577 -4.744 -16.160 175 2HB ASN 21 1HB ASN 21 -5.269 -6.344 -15.933 176 1HD2 ASN 21 1HD2 ASN 21 -7.563 -4.945 -14.434 177 2HD2 ASN 21 2HD2 ASN 21 -8.567 -4.365 -15.706 178 H ALA 22 H ALA 22 -3.306 -3.588 -14.141 179 HA ALA 22 HA ALA 22 -1.075 -3.603 -13.630 180 1HB ALA 22 1HB ALA 22 -2.246 -3.326 -11.498 181 2HB ALA 22 2HB ALA 22 -0.682 -4.114 -11.306 182 3HB ALA 22 3HB ALA 22 -2.164 -5.068 -11.237 183 H GLN 23 H GLN 23 0.502 -5.194 -12.136 184 HA GLN 23 HA GLN 23 0.431 -7.906 -13.224 185 1HB GLN 23 2HB GLN 23 2.024 -6.498 -14.576 186 2HB GLN 23 1HB GLN 23 2.940 -6.212 -13.102 187 1HG GLN 23 2HG GLN 23 3.236 -8.684 -12.907 188 2HG GLN 23 1HG GLN 23 2.505 -8.835 -14.504 189 1HE2 GLN 23 1HE2 GLN 23 5.298 -7.907 -12.709 190 2HE2 GLN 23 2HE2 GLN 23 6.350 -7.669 -14.062 191 H LEU 24 H LEU 24 0.366 -9.193 -11.484 192 HA LEU 24 HA LEU 24 0.958 -8.283 -8.869 193 1HB LEU 24 2HB LEU 24 -0.687 -10.032 -9.267 194 2HB LEU 24 1HB LEU 24 0.550 -11.084 -9.926 195 HG LEU 24 HG LEU 24 1.632 -11.176 -7.705 196 1HD1 LEU 24 1HD1 LEU 24 0.439 -10.322 -5.751 197 2HD1 LEU 24 2HD1 LEU 24 -0.772 -9.596 -6.806 198 3HD1 LEU 24 3HD1 LEU 24 0.893 -9.018 -6.847 199 1HD2 LEU 24 1HD2 LEU 24 -0.060 -12.568 -6.629 200 2HD2 LEU 24 2HD2 LEU 24 0.031 -12.893 -8.360 201 3HD2 LEU 24 3HD2 LEU 24 -1.289 -11.918 -7.714 202 H LEU 25 H LEU 25 2.976 -7.709 -8.395 203 HA LEU 25 HA LEU 25 5.286 -9.033 -9.436 204 1HB LEU 25 2HB LEU 25 4.998 -7.092 -7.136 205 2HB LEU 25 1HB LEU 25 6.520 -7.600 -7.836 206 HG LEU 25 HG LEU 25 4.368 -6.023 -9.250 207 1HD1 LEU 25 1HD1 LEU 25 7.112 -5.208 -8.307 208 2HD1 LEU 25 2HD1 LEU 25 5.586 -4.735 -7.562 209 3HD1 LEU 25 3HD1 LEU 25 5.974 -4.199 -9.198 210 1HD2 LEU 25 1HD2 LEU 25 5.994 -5.827 -11.064 211 2HD2 LEU 25 2HD2 LEU 25 5.544 -7.509 -10.781 212 3HD2 LEU 25 3HD2 LEU 25 7.093 -6.899 -10.197 213 H GLY 26 H GLY 26 3.617 -8.958 -6.341 214 1HA GLY 26 2HA GLY 26 3.688 -11.566 -5.670 215 2HA GLY 26 1HA GLY 26 5.294 -11.014 -5.205 216 H ASP 27 H ASP 27 3.331 -11.999 -3.400 217 HA ASP 27 HA ASP 27 2.094 -9.773 -2.086 218 1HB ASP 27 2HB ASP 27 2.641 -12.336 -0.649 219 2HB ASP 27 1HB ASP 27 1.239 -11.286 -0.548 220 H PHE 28 H PHE 28 2.748 -8.750 -0.245 221 HA PHE 28 HA PHE 28 5.391 -9.382 0.833 222 1HB PHE 28 2HB PHE 28 5.870 -7.772 -0.899 223 2HB PHE 28 1HB PHE 28 4.590 -6.712 -0.330 224 HD1 PHE 28 HD1 PHE 28 7.275 -8.464 1.579 225 HD2 PHE 28 HD2 PHE 28 5.618 -4.764 0.282 226 HE1 PHE 28 HE1 PHE 28 8.894 -7.247 2.984 227 HE2 PHE 28 HE2 PHE 28 7.223 -3.545 1.683 228 HZ PHE 28 HZ PHE 28 8.855 -4.780 3.044 229 H SER 29 H SER 29 5.042 -9.657 2.914 230 HA SER 29 HA SER 29 2.927 -8.152 4.250 231 1HB SER 29 2HB SER 29 4.637 -10.456 5.217 232 2HB SER 29 1HB SER 29 3.298 -9.732 6.110 233 HG SER 29 HG SER 29 3.170 -11.096 3.617 234 H ILE 30 H ILE 30 3.324 -6.465 5.526 235 HA ILE 30 HA ILE 30 6.126 -5.976 6.287 236 HB ILE 30 HB ILE 30 5.406 -3.555 6.513 237 1HG1 ILE 30 2HG1 ILE 30 3.052 -4.637 4.971 238 2HG1 ILE 30 1HG1 ILE 30 3.014 -3.774 6.501 239 1HG2 ILE 30 1HG2 ILE 30 5.417 -4.839 3.796 240 2HG2 ILE 30 2HG2 ILE 30 6.826 -4.330 4.724 241 3HG2 ILE 30 3HG2 ILE 30 5.688 -3.127 4.114 242 1HD1 ILE 30 1HD1 ILE 30 2.300 -2.376 4.625 243 2HD1 ILE 30 2HD1 ILE 30 3.878 -2.603 3.867 244 3HD1 ILE 30 3HD1 ILE 30 3.751 -1.746 5.403 245 H ASP 31 H ASP 31 6.639 -5.790 8.327 246 HA ASP 31 HA ASP 31 4.609 -6.251 10.331 247 1HB ASP 31 2HB ASP 31 7.596 -5.901 10.677 248 2HB ASP 31 1HB ASP 31 6.468 -6.546 11.856 249 H ASN 32 H ASN 32 4.336 -4.930 12.149 250 HA ASN 32 HA ASN 32 4.200 -3.031 13.382 251 1HB ASN 32 2HB ASN 32 6.452 -2.061 11.621 252 2HB ASN 32 1HB ASN 32 5.799 -1.147 12.974 253 1HD2 ASN 32 1HD2 ASN 32 5.388 -3.571 14.579 254 2HD2 ASN 32 2HD2 ASN 32 6.959 -4.035 15.132 255 H TYR 33 H TYR 33 2.631 -3.499 10.933 256 HA TYR 33 HA TYR 33 1.646 -0.740 10.781 257 1HB TYR 33 2HB TYR 33 1.908 -2.567 8.384 258 2HB TYR 33 1HB TYR 33 1.075 -1.021 8.390 259 HD1 TYR 33 HD1 TYR 33 2.437 1.067 8.918 260 HD2 TYR 33 HD2 TYR 33 4.218 -2.677 7.979 261 HE1 TYR 33 HE1 TYR 33 4.539 2.215 8.369 262 HE2 TYR 33 HE2 TYR 33 6.325 -1.545 7.422 263 HH TYR 33 HH TYR 33 7.086 0.698 6.722 264 H GLN 34 H GLN 34 -0.504 -0.532 10.955 265 HA GLN 34 HA GLN 34 -2.098 -3.003 11.149 266 1HB GLN 34 2HB GLN 34 -2.727 -0.249 12.238 267 2HB GLN 34 1HB GLN 34 -3.666 -1.714 12.505 268 1HG GLN 34 2HG GLN 34 -1.888 -2.681 13.797 269 2HG GLN 34 1HG GLN 34 -0.829 -1.320 13.426 270 1HE2 GLN 34 1HE2 GLN 34 -1.199 0.665 14.410 271 2HE2 GLN 34 2HE2 GLN 34 -2.177 0.818 15.822 272 H LEU 35 H LEU 35 -4.377 -2.817 10.345 273 HA LEU 35 HA LEU 35 -4.424 -1.074 7.965 274 1HB LEU 35 2HB LEU 35 -4.231 -3.489 7.464 275 2HB LEU 35 1HB LEU 35 -5.748 -3.765 8.301 276 HG LEU 35 HG LEU 35 -6.806 -2.169 6.615 277 1HD1 LEU 35 1HD1 LEU 35 -4.211 -2.693 5.179 278 2HD1 LEU 35 2HD1 LEU 35 -4.760 -1.137 5.803 279 3HD1 LEU 35 3HD1 LEU 35 -5.640 -1.922 4.490 280 1HD2 LEU 35 1HD2 LEU 35 -7.049 -3.914 4.948 281 2HD2 LEU 35 2HD2 LEU 35 -7.082 -4.606 6.569 282 3HD2 LEU 35 3HD2 LEU 35 -5.628 -4.743 5.584 283 H TYR 36 H TYR 36 -6.074 0.271 7.707 284 HA TYR 36 HA TYR 36 -8.415 0.014 9.480 285 1HB TYR 36 2HB TYR 36 -7.499 2.427 7.900 286 2HB TYR 36 1HB TYR 36 -8.849 2.371 9.023 287 HD1 TYR 36 HD1 TYR 36 -8.288 1.809 11.481 288 HD2 TYR 36 HD2 TYR 36 -5.415 3.083 8.620 289 HE1 TYR 36 HE1 TYR 36 -6.802 2.525 13.303 290 HE2 TYR 36 HE2 TYR 36 -3.917 3.801 10.422 291 HH TYR 36 HH TYR 36 -4.453 2.938 13.694 292 H SER 37 H SER 37 -10.506 0.370 8.541 293 HA SER 37 HA SER 37 -10.655 0.560 5.645 294 1HB SER 37 2HB SER 37 -10.632 -1.864 6.082 295 2HB SER 37 1HB SER 37 -12.000 -1.678 7.180 296 HG SER 37 HG SER 37 -12.228 -2.219 4.724 297 H LEU 38 H LEU 38 -12.103 2.045 5.155 298 HA LEU 38 HA LEU 38 -14.353 2.457 6.994 299 1HB LEU 38 2HB LEU 38 -14.713 4.631 5.911 300 2HB LEU 38 1HB LEU 38 -13.118 4.507 6.620 301 HG LEU 38 HG LEU 38 -13.485 4.003 3.692 302 1HD1 LEU 38 1HD1 LEU 38 -14.635 6.110 4.160 303 2HD1 LEU 38 2HD1 LEU 38 -13.126 6.392 3.292 304 3HD1 LEU 38 3HD1 LEU 38 -13.215 6.695 5.026 305 1HD2 LEU 38 1HD2 LEU 38 -11.207 4.888 3.607 306 2HD2 LEU 38 2HD2 LEU 38 -11.308 3.533 4.726 307 3HD2 LEU 38 3HD2 LEU 38 -11.250 5.181 5.344 308 H GLY 39 H GLY 39 -13.767 0.454 4.763 309 1HA GLY 39 2HA GLY 39 -15.464 -0.858 3.759 310 2HA GLY 39 1HA GLY 39 -16.501 0.562 3.707 311 H HIS 40 H HIS 40 -14.213 2.151 2.656 312 HA HIS 40 HA HIS 40 -14.411 1.232 -0.130 313 1HB HIS 40 2HB HIS 40 -13.926 4.068 0.810 314 2HB HIS 40 1HB HIS 40 -14.261 3.540 -0.834 315 HD1 HIS 40 HD1 HIS 40 -16.723 3.272 -1.503 316 HD2 HIS 40 HD2 HIS 40 -16.179 4.050 2.549 317 HE1 HIS 40 HE1 HIS 40 -19.015 3.727 -0.581 318 HE2 HIS 40 HE2 HIS 40 -18.676 3.986 1.900 319 H TYR 41 H TYR 41 -12.317 3.509 1.592 320 HA TYR 41 HA TYR 41 -9.974 2.499 0.233 321 1HB TYR 41 2HB TYR 41 -9.899 4.438 2.529 322 2HB TYR 41 1HB TYR 41 -8.788 4.299 1.177 323 HD1 TYR 41 HD1 TYR 41 -12.138 5.427 2.186 324 HD2 TYR 41 HD2 TYR 41 -9.144 5.556 -0.825 325 HE1 TYR 41 HE1 TYR 41 -13.334 7.264 1.112 326 HE2 TYR 41 HE2 TYR 41 -10.333 7.407 -1.931 327 HH TYR 41 HH TYR 41 -12.576 8.351 -2.048 328 HA PRO 42 HA PRO 42 -8.760 0.113 3.861 329 1HB PRO 42 2HB PRO 42 -6.914 -1.397 2.436 330 2HB PRO 42 1HB PRO 42 -8.608 -1.829 2.667 331 1HG PRO 42 2HG PRO 42 -7.305 -1.104 0.231 332 2HG PRO 42 1HG PRO 42 -9.018 -1.478 0.474 333 1HD PRO 42 2HD PRO 42 -7.668 1.156 0.279 334 2HD PRO 42 1HD PRO 42 -9.354 0.721 -0.075 335 H GLY 43 H GLY 43 -7.548 1.562 5.058 336 1HA GLY 43 2HA GLY 43 -5.061 2.610 3.870 337 2HA GLY 43 1HA GLY 43 -5.939 3.344 5.205 338 H ALA 44 H ALA 44 -3.150 2.810 5.240 339 HA ALA 44 HA ALA 44 -3.043 0.883 7.442 340 1HB ALA 44 1HB ALA 44 -2.427 -0.362 5.415 341 2HB ALA 44 2HB ALA 44 -1.071 -0.217 6.535 342 3HB ALA 44 3HB ALA 44 -1.141 0.805 5.098 343 H VAL 45 H VAL 45 -1.391 1.268 8.950 344 HA VAL 45 HA VAL 45 0.363 3.578 8.552 345 HB VAL 45 HB VAL 45 -0.289 4.681 10.618 346 1HG1 VAL 45 1HG1 VAL 45 -2.645 4.201 8.806 347 2HG1 VAL 45 2HG1 VAL 45 -1.422 5.465 8.651 348 3HG1 VAL 45 3HG1 VAL 45 -2.544 5.485 10.011 349 1HG2 VAL 45 1HG2 VAL 45 -2.383 2.530 10.843 350 2HG2 VAL 45 2HG2 VAL 45 -2.290 3.966 11.867 351 3HG2 VAL 45 3HG2 VAL 45 -0.993 2.770 11.900 352 HA PRO 46 HA PRO 46 3.189 1.302 11.127 353 1HB PRO 46 2HB PRO 46 4.116 3.267 12.821 354 2HB PRO 46 1HB PRO 46 4.698 3.004 11.173 355 1HG PRO 46 2HG PRO 46 2.692 4.977 12.182 356 2HG PRO 46 1HG PRO 46 3.982 5.202 10.987 357 1HD PRO 46 2HD PRO 46 1.433 4.873 10.237 358 2HD PRO 46 1HD PRO 46 2.768 4.173 9.299 359 H GLY 47 H GLY 47 3.394 0.323 13.116 360 1HA GLY 47 2HA GLY 47 2.374 0.966 15.569 361 2HA GLY 47 1HA GLY 47 1.014 0.234 14.717 362 H ASN 48 H ASN 48 0.831 -1.796 15.566 363 HA ASN 48 HA ASN 48 3.144 -3.532 15.111 364 1HB ASN 48 2HB ASN 48 2.973 -2.989 17.563 365 2HB ASN 48 1HB ASN 48 1.399 -3.776 17.567 366 1HD2 ASN 48 1HD2 ASN 48 3.956 -4.408 18.930 367 2HD2 ASN 48 2HD2 ASN 48 4.305 -6.060 18.512 368 H GLY 49 H GLY 49 2.179 -4.179 13.257 369 1HA GLY 49 2HA GLY 49 0.342 -6.383 13.579 370 2HA GLY 49 1HA GLY 49 -0.275 -5.052 12.600 371 H THR 50 H THR 50 -0.130 -7.213 11.149 372 HA THR 50 HA THR 50 2.304 -6.781 9.564 373 HB THR 50 HB THR 50 1.115 -9.497 10.159 374 HG1 THR 50 HG1 THR 50 3.186 -8.003 11.240 375 1HG2 THR 50 1HG2 THR 50 3.501 -8.715 8.475 376 2HG2 THR 50 2HG2 THR 50 1.965 -9.335 7.867 377 3HG2 THR 50 3HG2 THR 50 3.004 -10.365 8.854 378 H VAL 51 H VAL 51 1.534 -5.798 7.816 379 HA VAL 51 HA VAL 51 -1.081 -6.478 6.765 380 HB VAL 51 HB VAL 51 0.965 -4.499 5.729 381 1HG1 VAL 51 1HG1 VAL 51 -0.547 -5.204 3.965 382 2HG1 VAL 51 2HG1 VAL 51 -0.922 -3.551 4.458 383 3HG1 VAL 51 3HG1 VAL 51 -1.939 -4.884 5.002 384 1HG2 VAL 51 1HG2 VAL 51 -0.482 -2.792 6.734 385 2HG2 VAL 51 2HG2 VAL 51 0.176 -3.893 7.945 386 3HG2 VAL 51 3HG2 VAL 51 -1.497 -4.064 7.412 387 H HIS 52 H HIS 52 -1.237 -8.253 5.570 388 HA HIS 52 HA HIS 52 1.041 -9.337 4.156 389 1HB HIS 52 2HB HIS 52 -1.839 -10.231 4.394 390 2HB HIS 52 1HB HIS 52 -0.612 -11.120 3.514 391 HD1 HIS 52 HD1 HIS 52 0.810 -12.710 4.834 392 HD2 HIS 52 HD2 HIS 52 -1.349 -10.097 7.246 393 HE1 HIS 52 HE1 HIS 52 1.127 -13.537 7.188 394 HE2 HIS 52 HE2 HIS 52 -0.371 -12.072 8.595 395 H GLY 53 H GLY 53 0.971 -7.132 2.946 396 1HA GLY 53 2HA GLY 53 -1.224 -6.644 1.192 397 2HA GLY 53 1HA GLY 53 0.280 -5.743 1.255 398 H GLU 54 H GLU 54 -0.846 -6.089 -1.104 399 HA GLU 54 HA GLU 54 0.792 -8.157 -2.396 400 1HB GLU 54 2HB GLU 54 -1.092 -7.954 -4.215 401 2HB GLU 54 1HB GLU 54 -1.336 -8.962 -2.798 402 1HG GLU 54 2HG GLU 54 -2.522 -7.026 -1.735 403 2HG GLU 54 1HG GLU 54 -2.430 -6.204 -3.289 404 H VAL 55 H VAL 55 2.406 -7.273 -3.502 405 HA VAL 55 HA VAL 55 2.273 -4.458 -4.232 406 HB VAL 55 HB VAL 55 4.575 -6.380 -4.636 407 1HG1 VAL 55 1HG1 VAL 55 5.938 -4.311 -4.674 408 2HG1 VAL 55 2HG1 VAL 55 4.449 -3.364 -4.622 409 3HG1 VAL 55 3HG1 VAL 55 4.784 -4.402 -6.008 410 1HG2 VAL 55 1HG2 VAL 55 3.983 -4.540 -2.322 411 2HG2 VAL 55 2HG2 VAL 55 5.506 -5.392 -2.572 412 3HG2 VAL 55 3HG2 VAL 55 4.024 -6.304 -2.286 413 H TYR 56 H TYR 56 1.952 -3.674 -6.229 414 HA TYR 56 HA TYR 56 1.944 -5.586 -8.475 415 1HB TYR 56 2HB TYR 56 -0.056 -3.413 -7.844 416 2HB TYR 56 1HB TYR 56 0.065 -4.168 -9.427 417 HD1 TYR 56 HD1 TYR 56 -0.902 -6.290 -9.847 418 HD2 TYR 56 HD2 TYR 56 -0.712 -4.784 -5.877 419 HE1 TYR 56 HE1 TYR 56 -2.427 -8.071 -9.105 420 HE2 TYR 56 HE2 TYR 56 -2.227 -6.559 -5.122 421 HH TYR 56 HH TYR 56 -3.778 -8.095 -5.878 422 H ARG 57 H ARG 57 2.359 -4.730 -10.536 423 HA ARG 57 HA ARG 57 3.673 -2.092 -10.563 424 1HB ARG 57 2HB ARG 57 5.127 -4.028 -11.174 425 2HB ARG 57 1HB ARG 57 4.022 -4.394 -12.496 426 1HG ARG 57 2HG ARG 57 4.511 -2.229 -13.513 427 2HG ARG 57 1HG ARG 57 5.616 -1.856 -12.191 428 1HD ARG 57 2HD ARG 57 6.862 -2.615 -14.116 429 2HD ARG 57 1HD ARG 57 6.990 -3.796 -12.814 430 HE ARG 57 HE ARG 57 5.214 -5.058 -14.065 431 1HH1 ARG 57 1HH1 ARG 57 7.342 -2.831 -15.709 432 2HH1 ARG 57 2HH1 ARG 57 7.307 -3.691 -17.215 433 1HH2 ARG 57 1HH2 ARG 57 5.144 -6.208 -16.057 434 2HH2 ARG 57 2HH2 ARG 57 6.054 -5.609 -17.415 435 H ILE 58 H ILE 58 2.605 -0.538 -11.633 436 HA ILE 58 HA ILE 58 0.842 -1.345 -13.850 437 HB ILE 58 HB ILE 58 -0.848 0.173 -13.296 438 1HG1 ILE 58 2HG1 ILE 58 0.634 2.099 -12.759 439 2HG1 ILE 58 1HG1 ILE 58 -0.729 1.947 -11.666 440 1HG2 ILE 58 1HG2 ILE 58 -0.933 -1.751 -11.851 441 2HG2 ILE 58 2HG2 ILE 58 -1.500 -0.326 -10.982 442 3HG2 ILE 58 3HG2 ILE 58 0.119 -0.957 -10.681 443 1HD1 ILE 58 1HD1 ILE 58 1.302 2.587 -10.528 444 2HD1 ILE 58 2HD1 ILE 58 2.091 1.110 -11.085 445 3HD1 ILE 58 3HD1 ILE 58 0.725 1.015 -9.973 446 H ASP 59 H ASP 59 0.297 0.806 -15.151 447 HA ASP 59 HA ASP 59 2.565 1.837 -16.355 448 1HB ASP 59 2HB ASP 59 0.325 1.981 -17.321 449 2HB ASP 59 1HB ASP 59 -0.165 3.106 -16.062 450 H ASN 60 H ASN 60 3.701 3.853 -16.160 451 HA ASN 60 HA ASN 60 4.124 4.743 -13.488 452 1HB ASN 60 2HB ASN 60 4.928 6.010 -16.123 453 2HB ASN 60 1HB ASN 60 5.440 6.603 -14.551 454 1HD2 ASN 60 1HD2 ASN 60 7.067 5.702 -16.727 455 2HD2 ASN 60 2HD2 ASN 60 7.997 4.369 -16.124 456 H ALA 61 H ALA 61 2.399 6.127 -16.256 457 HA ALA 61 HA ALA 61 2.009 8.666 -15.077 458 1HB ALA 61 1HB ALA 61 0.513 7.402 -17.366 459 2HB ALA 61 2HB ALA 61 2.012 8.324 -17.497 460 3HB ALA 61 3HB ALA 61 0.533 9.117 -16.953 461 H THR 62 H THR 62 0.070 5.720 -15.120 462 HA THR 62 HA THR 62 -2.365 6.800 -14.265 463 HB THR 62 HB THR 62 -2.533 4.424 -13.117 464 HG1 THR 62 HG1 THR 62 -0.703 3.391 -13.324 465 1HG2 THR 62 1HG2 THR 62 -2.394 4.814 -16.104 466 2HG2 THR 62 2HG2 THR 62 -3.794 5.129 -15.074 467 3HG2 THR 62 3HG2 THR 62 -3.196 3.482 -15.269 468 H LEU 63 H LEU 63 0.489 5.838 -12.496 469 HA LEU 63 HA LEU 63 -0.628 5.934 -9.894 470 1HB LEU 63 2HB LEU 63 1.649 4.933 -10.864 471 2HB LEU 63 1HB LEU 63 2.268 6.490 -10.356 472 HG LEU 63 HG LEU 63 2.675 4.812 -8.656 473 1HD1 LEU 63 1HD1 LEU 63 2.260 7.084 -7.892 474 2HD1 LEU 63 2HD1 LEU 63 1.668 5.900 -6.728 475 3HD1 LEU 63 3HD1 LEU 63 0.532 6.742 -7.784 476 1HD2 LEU 63 1HD2 LEU 63 0.873 3.676 -7.517 477 2HD2 LEU 63 2HD2 LEU 63 0.829 3.327 -9.247 478 3HD2 LEU 63 3HD2 LEU 63 -0.310 4.478 -8.547 479 H ALA 64 H ALA 64 1.473 8.134 -11.712 480 HA ALA 64 HA ALA 64 1.475 10.241 -9.863 481 1HB ALA 64 1HB ALA 64 3.081 10.049 -11.706 482 2HB ALA 64 2HB ALA 64 2.279 11.620 -11.699 483 3HB ALA 64 3HB ALA 64 1.790 10.385 -12.860 484 H GLU 65 H GLU 65 -0.833 9.260 -12.269 485 HA GLU 65 HA GLU 65 -2.304 11.723 -12.290 486 1HB GLU 65 2HB GLU 65 -2.382 10.153 -14.182 487 2HB GLU 65 1HB GLU 65 -3.152 8.951 -13.155 488 1HG GLU 65 2HG GLU 65 -5.079 10.410 -12.870 489 2HG GLU 65 1HG GLU 65 -4.309 11.631 -13.882 490 H LEU 66 H LEU 66 -2.856 8.529 -10.817 491 HA LEU 66 HA LEU 66 -5.236 9.184 -9.483 492 1HB LEU 66 2HB LEU 66 -4.227 6.882 -9.881 493 2HB LEU 66 1HB LEU 66 -3.172 7.205 -8.522 494 HG LEU 66 HG LEU 66 -6.162 7.325 -8.202 495 1HD1 LEU 66 1HD1 LEU 66 -6.117 4.986 -7.510 496 2HD1 LEU 66 2HD1 LEU 66 -4.413 4.882 -7.956 497 3HD1 LEU 66 3HD1 LEU 66 -5.635 5.155 -9.201 498 1HD2 LEU 66 1HD2 LEU 66 -5.626 6.761 -5.885 499 2HD2 LEU 66 2HD2 LEU 66 -4.779 8.224 -6.386 500 3HD2 LEU 66 3HD2 LEU 66 -3.911 6.693 -6.289 501 H ASP 67 H ASP 67 -1.853 9.429 -8.510 502 HA ASP 67 HA ASP 67 -2.138 10.251 -5.877 503 1HB ASP 67 2HB ASP 67 0.035 9.766 -6.810 504 2HB ASP 67 1HB ASP 67 -0.116 11.080 -7.967 505 H ALA 68 H ALA 68 -1.805 12.343 -8.731 506 HA ALA 68 HA ALA 68 -2.377 14.751 -7.311 507 1HB ALA 68 1HB ALA 68 -0.995 14.693 -9.329 508 2HB ALA 68 2HB ALA 68 -2.363 15.793 -9.515 509 3HB ALA 68 3HB ALA 68 -2.399 14.204 -10.279 510 H LEU 69 H LEU 69 -4.392 12.287 -8.469 511 HA LEU 69 HA LEU 69 -6.726 13.987 -8.701 512 1HB LEU 69 2HB LEU 69 -6.170 11.079 -8.991 513 2HB LEU 69 1HB LEU 69 -7.808 11.559 -8.588 514 HG LEU 69 HG LEU 69 -6.282 12.531 -11.005 515 1HD1 LEU 69 1HD1 LEU 69 -7.766 11.069 -12.282 516 2HD1 LEU 69 2HD1 LEU 69 -8.466 10.459 -10.783 517 3HD1 LEU 69 3HD1 LEU 69 -6.773 10.142 -11.158 518 1HD2 LEU 69 1HD2 LEU 69 -7.939 14.120 -10.224 519 2HD2 LEU 69 2HD2 LEU 69 -9.160 12.848 -10.158 520 3HD2 LEU 69 3HD2 LEU 69 -8.493 13.350 -11.713 521 H ARG 70 H ARG 70 -5.438 11.594 -6.446 522 HA ARG 70 HA ARG 70 -7.739 11.904 -4.726 523 1HB ARG 70 2HB ARG 70 -6.810 9.681 -5.175 524 2HB ARG 70 1HB ARG 70 -5.293 10.160 -4.432 525 1HG ARG 70 2HG ARG 70 -6.632 8.779 -2.940 526 2HG ARG 70 1HG ARG 70 -6.387 10.396 -2.280 527 1HD ARG 70 2HD ARG 70 -8.866 9.677 -3.831 528 2HD ARG 70 1HD ARG 70 -8.737 9.375 -2.099 529 HE ARG 70 HE ARG 70 -8.037 12.033 -2.507 530 1HH1 ARG 70 1HH1 ARG 70 -10.893 10.040 -2.995 531 2HH1 ARG 70 2HH1 ARG 70 -11.994 11.356 -2.724 532 1HH2 ARG 70 1HH2 ARG 70 -9.493 13.747 -2.166 533 2HH2 ARG 70 2HH2 ARG 70 -11.206 13.456 -2.256 534 H THR 71 H THR 71 -4.277 12.756 -4.602 535 HA THR 71 HA THR 71 -4.863 14.325 -2.228 536 HB THR 71 HB THR 71 -4.259 12.251 -1.208 537 HG1 THR 71 HG1 THR 71 -1.828 13.626 -0.979 538 1HG2 THR 71 1HG2 THR 71 -1.726 12.306 -2.850 539 2HG2 THR 71 2HG2 THR 71 -3.082 11.201 -3.077 540 3HG2 THR 71 3HG2 THR 71 -2.123 11.126 -1.599 541 H ARG 72 H ARG 72 -4.476 16.132 -3.408 542 HA ARG 72 HA ARG 72 -1.862 16.570 -4.605 543 1HB ARG 72 2HB ARG 72 -4.153 18.500 -4.290 544 2HB ARG 72 1HB ARG 72 -2.780 18.663 -5.358 545 1HG ARG 72 2HG ARG 72 -3.568 16.935 -6.766 546 2HG ARG 72 1HG ARG 72 -4.813 16.471 -5.602 547 1HD ARG 72 2HD ARG 72 -5.870 18.672 -5.884 548 2HD ARG 72 1HD ARG 72 -4.645 19.095 -7.079 549 HE ARG 72 HE ARG 72 -5.569 17.026 -8.296 550 1HH1 ARG 72 1HH1 ARG 72 -7.486 19.155 -6.284 551 2HH1 ARG 72 2HH1 ARG 72 -8.940 18.926 -7.206 552 1HH2 ARG 72 1HH2 ARG 72 -7.480 16.740 -9.536 553 2HH2 ARG 72 2HH2 ARG 72 -8.944 17.554 -9.041 554 H GLY 73 H GLY 73 -3.709 17.375 -1.763 555 1HA GLY 73 2HA GLY 73 -1.755 19.445 -1.018 556 2HA GLY 73 1HA GLY 73 -3.368 19.275 -0.345 557 H GLY 74 H GLY 74 -3.461 16.665 0.404 558 1HA GLY 74 2HA GLY 74 -1.392 15.485 1.720 559 2HA GLY 74 1HA GLY 74 -1.858 16.795 2.798 560 H GLU 75 H GLU 75 -3.928 14.919 0.697 561 HA GLU 75 HA GLU 75 -5.838 14.424 2.731 562 1HB GLU 75 2HB GLU 75 -5.445 13.328 -0.057 563 2HB GLU 75 1HB GLU 75 -6.788 12.860 0.964 564 1HG GLU 75 2HG GLU 75 -7.407 14.587 -0.650 565 2HG GLU 75 1HG GLU 75 -7.605 15.125 1.014 566 H TYR 76 H TYR 76 -3.327 12.540 1.151 567 HA TYR 76 HA TYR 76 -3.186 10.827 3.515 568 1HB TYR 76 2HB TYR 76 -2.971 9.654 0.743 569 2HB TYR 76 1HB TYR 76 -3.025 8.792 2.269 570 HD1 TYR 76 HD1 TYR 76 -5.143 8.451 3.440 571 HD2 TYR 76 HD2 TYR 76 -5.012 10.492 -0.286 572 HE1 TYR 76 HE1 TYR 76 -7.586 8.204 3.228 573 HE2 TYR 76 HE2 TYR 76 -7.445 10.248 -0.511 574 HH TYR 76 HH TYR 76 -9.239 8.794 0.327 575 H ALA 77 H ALA 77 -1.081 10.019 3.866 576 HA ALA 77 HA ALA 77 0.946 11.774 2.743 577 1HB ALA 77 1HB ALA 77 0.865 11.413 5.161 578 2HB ALA 77 2HB ALA 77 2.408 10.917 4.468 579 3HB ALA 77 3HB ALA 77 1.211 9.702 4.912 580 H ARG 78 H ARG 78 2.461 11.223 1.319 581 HA ARG 78 HA ARG 78 2.459 8.609 0.120 582 1HB ARG 78 2HB ARG 78 4.351 10.934 -0.249 583 2HB ARG 78 1HB ARG 78 4.399 9.452 -1.181 584 1HG ARG 78 2HG ARG 78 2.132 9.980 -2.044 585 2HG ARG 78 1HG ARG 78 2.226 11.533 -1.199 586 1HD ARG 78 2HD ARG 78 4.391 11.933 -2.395 587 2HD ARG 78 1HD ARG 78 4.054 10.507 -3.364 588 HE ARG 78 HE ARG 78 1.931 11.828 -4.000 589 1HH1 ARG 78 1HH1 ARG 78 5.044 13.239 -3.233 590 2HH1 ARG 78 2HH1 ARG 78 4.880 14.559 -4.343 591 1HH2 ARG 78 1HH2 ARG 78 1.702 13.572 -5.478 592 2HH2 ARG 78 2HH2 ARG 78 2.973 14.764 -5.601 593 H GLN 79 H GLN 79 3.283 6.985 1.315 594 HA GLN 79 HA GLN 79 5.939 7.427 2.509 595 1HB GLN 79 2HB GLN 79 4.050 6.602 4.005 596 2HB GLN 79 1HB GLN 79 4.074 5.117 3.072 597 1HG GLN 79 2HG GLN 79 6.298 4.621 3.768 598 2HG GLN 79 1HG GLN 79 6.470 6.203 4.523 599 1HE2 GLN 79 1HE2 GLN 79 3.551 4.313 4.760 600 2HE2 GLN 79 2HE2 GLN 79 3.712 3.923 6.433 601 H LEU 80 H LEU 80 7.294 7.033 0.826 602 HA LEU 80 HA LEU 80 6.792 4.857 -0.991 603 1HB LEU 80 2HB LEU 80 7.862 6.919 -1.778 604 2HB LEU 80 1HB LEU 80 9.217 6.630 -0.701 605 HG LEU 80 HG LEU 80 9.719 4.542 -1.938 606 1HD1 LEU 80 1HD1 LEU 80 7.500 4.069 -2.801 607 2HD1 LEU 80 2HD1 LEU 80 8.666 4.182 -4.121 608 3HD1 LEU 80 3HD1 LEU 80 7.560 5.520 -3.803 609 1HD2 LEU 80 1HD2 LEU 80 10.861 6.644 -2.481 610 2HD2 LEU 80 2HD2 LEU 80 9.600 7.016 -3.658 611 3HD2 LEU 80 3HD2 LEU 80 10.654 5.623 -3.904 612 H ILE 81 H ILE 81 7.178 2.834 -0.462 613 HA ILE 81 HA ILE 81 9.294 2.300 1.505 614 HB ILE 81 HB ILE 81 8.099 0.153 1.939 615 1HG1 ILE 81 2HG1 ILE 81 5.895 1.450 0.329 616 2HG1 ILE 81 1HG1 ILE 81 6.856 0.086 -0.218 617 1HG2 ILE 81 1HG2 ILE 81 7.850 2.022 3.436 618 2HG2 ILE 81 2HG2 ILE 81 6.289 1.219 3.259 619 3HG2 ILE 81 3HG2 ILE 81 6.609 2.732 2.406 620 1HD1 ILE 81 1HD1 ILE 81 4.992 0.117 2.142 621 2HD1 ILE 81 2HD1 ILE 81 5.993 -1.250 1.650 622 3HD1 ILE 81 3HD1 ILE 81 4.712 -0.668 0.587 623 H GLN 82 H GLN 82 10.932 1.079 1.003 624 HA GLN 82 HA GLN 82 11.282 0.256 -1.741 625 1HB GLN 82 2HB GLN 82 12.970 1.250 0.144 626 2HB GLN 82 1HB GLN 82 13.300 -0.465 0.312 627 1HG GLN 82 2HG GLN 82 13.629 1.229 -2.151 628 2HG GLN 82 1HG GLN 82 14.896 0.480 -1.181 629 1HE2 GLN 82 1HE2 GLN 82 12.521 0.037 -3.619 630 2HE2 GLN 82 2HE2 GLN 82 12.973 -1.573 -4.065 631 H THR 83 H THR 83 10.067 -1.596 -2.183 632 HA THR 83 HA THR 83 10.225 -3.793 -0.246 633 HB THR 83 HB THR 83 8.328 -4.725 -1.199 634 HG1 THR 83 HG1 THR 83 8.641 -3.223 -3.597 635 1HG2 THR 83 1HG2 THR 83 7.755 -2.524 -0.289 636 2HG2 THR 83 2HG2 THR 83 6.714 -2.943 -1.647 637 3HG2 THR 83 3HG2 THR 83 8.034 -1.795 -1.872 638 HA PRO 84 HA PRO 84 13.060 -6.302 -2.598 639 1HB PRO 84 2HB PRO 84 11.083 -8.514 -2.568 640 2HB PRO 84 1HB PRO 84 12.745 -8.479 -1.968 641 1HG PRO 84 2HG PRO 84 10.678 -8.451 -0.282 642 2HG PRO 84 1HG PRO 84 12.140 -7.499 0.040 643 1HD PRO 84 2HD PRO 84 9.480 -6.598 -0.999 644 2HD PRO 84 1HD PRO 84 10.568 -5.803 0.159 645 H TYR 85 H TYR 85 9.835 -5.793 -3.648 646 HA TYR 85 HA TYR 85 10.359 -6.860 -6.328 647 1HB TYR 85 2HB TYR 85 7.792 -5.663 -5.261 648 2HB TYR 85 1HB TYR 85 7.993 -6.644 -6.708 649 HD1 TYR 85 HD1 TYR 85 7.635 -6.670 -3.084 650 HD2 TYR 85 HD2 TYR 85 8.348 -9.074 -6.522 651 HE1 TYR 85 HE1 TYR 85 7.127 -8.686 -1.773 652 HE2 TYR 85 HE2 TYR 85 7.847 -11.096 -5.215 653 HH TYR 85 HH TYR 85 6.421 -10.978 -2.105 654 H GLY 86 H GLY 86 10.997 -4.140 -4.723 655 1HA GLY 86 2HA GLY 86 11.883 -2.266 -6.073 656 2HA GLY 86 1HA GLY 86 10.406 -2.381 -7.024 657 H SER 87 H SER 87 11.292 -0.012 -5.710 658 HA SER 87 HA SER 87 9.984 0.351 -3.232 659 1HB SER 87 2HB SER 87 10.760 2.386 -5.321 660 2HB SER 87 1HB SER 87 10.356 2.738 -3.645 661 HG SER 87 HG SER 87 12.623 2.612 -3.975 662 H ALA 88 H ALA 88 7.917 0.661 -2.772 663 HA ALA 88 HA ALA 88 6.067 1.271 -4.989 664 1HB ALA 88 1HB ALA 88 4.411 -0.174 -3.887 665 2HB ALA 88 2HB ALA 88 5.614 -0.602 -2.667 666 3HB ALA 88 3HB ALA 88 5.862 -1.063 -4.351 667 H TRP 89 H TRP 89 4.240 2.523 -4.482 668 HA TRP 89 HA TRP 89 4.710 4.399 -2.344 669 1HB TRP 89 2HB TRP 89 2.562 4.242 -4.463 670 2HB TRP 89 1HB TRP 89 2.662 5.526 -3.269 671 HD1 TRP 89 HD1 TRP 89 3.950 4.543 -6.604 672 HE1 TRP 89 HE1 TRP 89 5.670 6.270 -7.402 673 HE3 TRP 89 HE3 TRP 89 4.646 7.097 -2.234 674 HZ2 TRP 89 HZ2 TRP 89 7.149 8.426 -6.333 675 HZ3 TRP 89 HZ3 TRP 89 6.230 8.978 -2.202 676 HH2 TRP 89 HH2 TRP 89 7.457 9.627 -4.211 677 H MET 90 H MET 90 3.953 4.216 -0.380 678 HA MET 90 HA MET 90 1.438 2.755 0.090 679 1HB MET 90 2HB MET 90 3.495 1.970 1.302 680 2HB MET 90 1HB MET 90 3.579 3.543 2.089 681 1HG MET 90 2HG MET 90 1.398 3.129 3.122 682 2HG MET 90 1HG MET 90 1.342 1.544 2.351 683 1HE MET 90 1HE MET 90 1.992 0.655 6.119 684 2HE MET 90 2HE MET 90 0.942 0.407 4.725 685 3HE MET 90 3HE MET 90 1.008 1.985 5.509 686 H TYR 91 H TYR 91 -0.311 3.902 0.803 687 HA TYR 91 HA TYR 91 0.152 6.738 1.440 688 1HB TYR 91 2HB TYR 91 -2.227 5.322 0.242 689 2HB TYR 91 1HB TYR 91 -2.367 6.928 0.950 690 HD1 TYR 91 HD1 TYR 91 -1.379 5.023 -1.941 691 HD2 TYR 91 HD2 TYR 91 -1.022 8.818 -0.049 692 HE1 TYR 91 HE1 TYR 91 -0.677 6.017 -4.077 693 HE2 TYR 91 HE2 TYR 91 -0.299 9.822 -2.177 694 HH TYR 91 HH TYR 91 0.404 9.365 -4.301 695 H VAL 92 H VAL 92 0.250 7.034 3.554 696 HA VAL 92 HA VAL 92 -1.270 5.397 5.378 697 HB VAL 92 HB VAL 92 0.769 7.561 5.690 698 1HG1 VAL 92 1HG1 VAL 92 0.349 7.678 8.110 699 2HG1 VAL 92 2HG1 VAL 92 -1.111 6.711 7.896 700 3HG1 VAL 92 3HG1 VAL 92 -1.006 8.320 7.182 701 1HG2 VAL 92 1HG2 VAL 92 0.380 4.905 7.065 702 2HG2 VAL 92 2HG2 VAL 92 1.814 5.935 7.138 703 3HG2 VAL 92 3HG2 VAL 92 1.361 5.160 5.619 704 H TYR 93 H TYR 93 -3.227 5.815 6.094 705 HA TYR 93 HA TYR 93 -4.826 7.849 5.043 706 1HB TYR 93 2HB TYR 93 -5.430 5.576 6.226 707 2HB TYR 93 1HB TYR 93 -5.489 6.574 7.673 708 HD1 TYR 93 HD1 TYR 93 -7.180 8.414 7.828 709 HD2 TYR 93 HD2 TYR 93 -7.121 5.673 4.579 710 HE1 TYR 93 HE1 TYR 93 -9.472 9.077 7.232 711 HE2 TYR 93 HE2 TYR 93 -9.408 6.330 3.974 712 HH TYR 93 HH TYR 93 -11.408 7.319 5.165 713 H GLN 94 H GLN 94 -4.387 9.929 5.355 714 HA GLN 94 HA GLN 94 -2.986 10.745 7.754 715 1HB GLN 94 2HB GLN 94 -2.496 11.416 5.260 716 2HB GLN 94 1HB GLN 94 -3.738 12.629 5.548 717 1HG GLN 94 2HG GLN 94 -1.783 13.749 6.042 718 2HG GLN 94 1HG GLN 94 -2.368 13.240 7.619 719 1HE2 GLN 94 1HE2 GLN 94 -1.497 10.406 6.934 720 2HE2 GLN 94 2HE2 GLN 94 0.202 10.426 7.227 721 H ARG 95 H ARG 95 -6.164 10.737 6.597 722 HA ARG 95 HA ARG 95 -7.054 12.944 8.250 723 1HB ARG 95 2HB ARG 95 -8.730 10.866 6.822 724 2HB ARG 95 1HB ARG 95 -9.281 12.407 7.464 725 1HG ARG 95 2HG ARG 95 -7.712 13.512 5.836 726 2HG ARG 95 1HG ARG 95 -7.505 11.924 5.092 727 1HD ARG 95 2HD ARG 95 -10.035 13.532 5.355 728 2HD ARG 95 1HD ARG 95 -9.200 13.065 3.875 729 HE ARG 95 HE ARG 95 -9.789 10.676 4.849 730 1HH1 ARG 95 1HH1 ARG 95 -11.769 13.556 4.699 731 2HH1 ARG 95 2HH1 ARG 95 -13.265 12.676 4.605 732 1HH2 ARG 95 1HH2 ARG 95 -11.751 9.508 4.728 733 2HH2 ARG 95 2HH2 ARG 95 -13.260 10.373 4.591 734 HA PRO 96 HA PRO 96 -7.994 10.873 12.060 735 1HB PRO 96 2HB PRO 96 -10.898 11.279 11.468 736 2HB PRO 96 1HB PRO 96 -9.994 11.622 12.947 737 1HG PRO 96 2HG PRO 96 -10.665 13.588 11.294 738 2HG PRO 96 1HG PRO 96 -9.080 13.576 12.091 739 1HD PRO 96 2HD PRO 96 -9.787 12.962 9.262 740 2HD PRO 96 1HD PRO 96 -8.320 13.710 9.922 741 H VAL 97 H VAL 97 -7.668 8.766 12.133 742 HA VAL 97 HA VAL 97 -9.061 6.961 10.339 743 HB VAL 97 HB VAL 97 -7.563 5.226 11.264 744 1HG1 VAL 97 1HG1 VAL 97 -6.826 6.554 9.352 745 2HG1 VAL 97 2HG1 VAL 97 -5.462 6.131 10.387 746 3HG1 VAL 97 3HG1 VAL 97 -6.140 7.759 10.443 747 1HG2 VAL 97 1HG2 VAL 97 -5.775 5.862 12.821 748 2HG2 VAL 97 2HG2 VAL 97 -7.370 6.079 13.544 749 3HG2 VAL 97 3HG2 VAL 97 -6.471 7.478 12.954 750 H ASP 98 H ASP 98 -9.681 8.295 13.245 751 HA ASP 98 HA ASP 98 -10.559 6.198 14.855 752 1HB ASP 98 2HB ASP 98 -10.113 8.449 15.703 753 2HB ASP 98 1HB ASP 98 -11.471 9.067 14.774 754 H GLY 99 H GLY 99 -11.803 7.216 12.018 755 1HA GLY 99 2HA GLY 99 -14.566 6.478 12.725 756 2HA GLY 99 1HA GLY 99 -14.110 7.493 11.370 757 H LEU 100 H LEU 100 -12.127 4.792 11.901 758 HA LEU 100 HA LEU 100 -13.470 3.349 9.714 759 1HB LEU 100 2HB LEU 100 -10.523 3.697 10.251 760 2HB LEU 100 1HB LEU 100 -11.153 2.492 9.157 761 HG LEU 100 HG LEU 100 -12.162 4.363 7.812 762 1HD1 LEU 100 1HD1 LEU 100 -11.270 6.593 8.079 763 2HD1 LEU 100 2HD1 LEU 100 -10.396 6.085 9.526 764 3HD1 LEU 100 3HD1 LEU 100 -12.159 6.096 9.519 765 1HD2 LEU 100 1HD2 LEU 100 -9.172 4.307 8.153 766 2HD2 LEU 100 2HD2 LEU 100 -10.028 4.968 6.762 767 3HD2 LEU 100 3HD2 LEU 100 -10.130 3.245 7.122 768 H LYS 101 H LYS 101 -12.779 0.999 9.665 769 HA LYS 101 HA LYS 101 -12.857 -0.116 12.358 770 1HB LYS 101 2HB LYS 101 -13.001 -1.443 9.639 771 2HB LYS 101 1HB LYS 101 -13.128 -2.294 11.173 772 1HG LYS 101 2HG LYS 101 -15.150 -0.982 11.697 773 2HG LYS 101 1HG LYS 101 -15.034 -0.217 10.109 774 1HD LYS 101 2HD LYS 101 -15.254 -2.414 9.040 775 2HD LYS 101 1HD LYS 101 -15.363 -3.178 10.625 776 1HE LYS 101 2HE LYS 101 -17.396 -1.852 11.083 777 2HE LYS 101 1HE LYS 101 -17.303 -1.192 9.452 778 1HZ LYS 101 1HZ LYS 101 -18.860 -3.037 9.573 779 2HZ LYS 101 2HZ LYS 101 -17.636 -4.067 10.142 780 3HZ LYS 101 3HZ LYS 101 -17.550 -3.436 8.571 781 H LEU 102 H LEU 102 -11.154 -1.154 13.295 782 HA LEU 102 HA LEU 102 -8.610 -0.915 11.860 783 1HB LEU 102 2HB LEU 102 -8.644 0.322 13.911 784 2HB LEU 102 1HB LEU 102 -9.268 -1.054 14.799 785 HG LEU 102 HG LEU 102 -7.134 -2.238 14.461 786 1HD1 LEU 102 1HD1 LEU 102 -5.198 -1.045 13.583 787 2HD1 LEU 102 2HD1 LEU 102 -6.219 0.338 13.191 788 3HD1 LEU 102 3HD1 LEU 102 -6.461 -1.199 12.361 789 1HD2 LEU 102 1HD2 LEU 102 -5.786 -0.857 15.964 790 2HD2 LEU 102 2HD2 LEU 102 -7.472 -0.933 16.477 791 3HD2 LEU 102 3HD2 LEU 102 -6.861 0.510 15.666 792 H ILE 103 H ILE 103 -7.838 -2.715 10.988 793 HA ILE 103 HA ILE 103 -8.436 -5.283 12.238 794 HB ILE 103 HB ILE 103 -7.042 -4.756 9.604 795 1HG1 ILE 103 2HG1 ILE 103 -9.896 -5.628 10.115 796 2HG1 ILE 103 1HG1 ILE 103 -9.414 -4.019 9.592 797 1HG2 ILE 103 1HG2 ILE 103 -6.440 -6.881 10.628 798 2HG2 ILE 103 2HG2 ILE 103 -7.436 -7.137 9.196 799 3HG2 ILE 103 3HG2 ILE 103 -8.145 -7.296 10.804 800 1HD1 ILE 103 1HD1 ILE 103 -8.991 -6.565 8.029 801 2HD1 ILE 103 2HD1 ILE 103 -8.580 -4.933 7.501 802 3HD1 ILE 103 3HD1 ILE 103 -10.267 -5.377 7.751 803 H GLU 104 H GLU 104 -7.154 -5.272 13.950 804 HA GLU 104 HA GLU 104 -4.530 -4.422 14.232 805 1HB GLU 104 2HB GLU 104 -4.510 -6.065 16.155 806 2HB GLU 104 1HB GLU 104 -5.850 -4.922 16.158 807 1HG GLU 104 2HG GLU 104 -7.247 -6.683 15.073 808 2HG GLU 104 1HG GLU 104 -5.915 -7.810 15.321 809 H SER 105 H SER 105 -5.772 -7.174 12.609 810 HA SER 105 HA SER 105 -3.521 -8.896 12.921 811 1HB SER 105 2HB SER 105 -5.654 -8.925 10.774 812 2HB SER 105 1HB SER 105 -4.580 -10.257 11.194 813 HG SER 105 HG SER 105 -6.396 -10.698 12.281 814 H GLY 106 H GLY 106 -4.580 -6.637 10.409 815 1HA GLY 106 2HA GLY 106 -3.135 -5.569 8.854 816 2HA GLY 106 1HA GLY 106 -1.931 -6.815 9.160 817 H ASP 107 H ASP 107 -4.711 -8.422 8.970 818 HA ASP 107 HA ASP 107 -4.394 -9.050 6.131 819 1HB ASP 107 2HB ASP 107 -5.852 -10.484 8.365 820 2HB ASP 107 1HB ASP 107 -5.892 -10.993 6.684 821 H TRP 108 H TRP 108 -6.397 -9.420 4.896 822 HA TRP 108 HA TRP 108 -8.513 -7.518 5.599 823 1HB TRP 108 2HB TRP 108 -9.053 -8.850 3.125 824 2HB TRP 108 1HB TRP 108 -8.619 -7.164 3.365 825 HD1 TRP 108 HD1 TRP 108 -7.431 -10.160 1.650 826 HE1 TRP 108 HE1 TRP 108 -4.945 -9.901 0.972 827 HE3 TRP 108 HE3 TRP 108 -6.271 -6.112 4.476 828 HZ2 TRP 108 HZ2 TRP 108 -2.779 -8.178 1.604 829 HZ3 TRP 108 HZ3 TRP 108 -4.012 -5.216 4.423 830 HH2 TRP 108 HH2 TRP 108 -2.279 -6.221 3.008 831 H LEU 109 H LEU 109 -7.940 -10.779 4.545 832 HA LEU 109 HA LEU 109 -10.534 -11.643 5.536 833 1HB LEU 109 2HB LEU 109 -8.593 -13.015 3.680 834 2HB LEU 109 1HB LEU 109 -10.155 -13.652 4.164 835 HG LEU 109 HG LEU 109 -9.913 -11.006 2.759 836 1HD1 LEU 109 1HD1 LEU 109 -10.258 -13.709 1.473 837 2HD1 LEU 109 2HD1 LEU 109 -8.828 -12.682 1.358 838 3HD1 LEU 109 3HD1 LEU 109 -10.355 -12.145 0.661 839 1HD2 LEU 109 1HD2 LEU 109 -12.148 -13.013 3.027 840 2HD2 LEU 109 2HD2 LEU 109 -12.227 -11.499 2.123 841 3HD2 LEU 109 3HD2 LEU 109 -12.021 -11.470 3.875 842 H ASP 110 H ASP 110 -9.798 -11.542 7.718 843 HA ASP 110 HA ASP 110 -7.520 -12.967 8.639 844 1HB ASP 110 2HB ASP 110 -8.561 -11.016 9.811 845 2HB ASP 110 1HB ASP 110 -9.918 -12.044 10.243 846 H ARG 111 H ARG 111 -10.620 -13.662 10.156 847 HA ARG 111 HA ARG 111 -11.988 -15.405 10.200 848 1HB ARG 111 2HB ARG 111 -10.400 -16.314 7.815 849 2HB ARG 111 1HB ARG 111 -11.710 -17.264 8.502 850 1HG ARG 111 2HG ARG 111 -11.855 -14.572 7.184 851 2HG ARG 111 1HG ARG 111 -12.658 -16.072 6.714 852 1HD ARG 111 2HD ARG 111 -13.268 -14.283 9.056 853 2HD ARG 111 1HD ARG 111 -14.323 -14.720 7.714 854 HE ARG 111 HE ARG 111 -13.639 -17.068 9.061 855 1HH1 ARG 111 1HH1 ARG 111 -15.430 -14.121 9.669 856 2HH1 ARG 111 2HH1 ARG 111 -16.503 -14.867 10.819 857 1HH2 ARG 111 1HH2 ARG 111 -14.994 -18.034 10.618 858 2HH2 ARG 111 2HH2 ARG 111 -16.241 -17.083 11.373 859 H ASP 112 H ASP 112 -12.152 -17.017 11.419 860 HA ASP 112 HA ASP 112 -10.459 -18.213 13.085 861 1HB ASP 112 2HB ASP 112 -11.904 -20.204 13.056 862 2HB ASP 112 1HB ASP 112 -12.856 -18.731 13.001 863 H LYS 113 H LYS 113 -11.021 -19.402 9.798 864 HA LYS 113 HA LYS 113 -9.807 -20.652 8.355 865 1HB LYS 113 2HB LYS 113 -8.063 -18.873 9.277 866 2HB LYS 113 1HB LYS 113 -7.320 -20.316 9.951 867 1HG LYS 113 2HG LYS 113 -7.060 -21.277 7.775 868 2HG LYS 113 1HG LYS 113 -7.989 -19.965 7.046 869 1HD LYS 113 2HD LYS 113 -6.229 -18.387 7.921 870 2HD LYS 113 1HD LYS 113 -5.278 -19.808 8.351 871 1HE LYS 113 2HE LYS 113 -4.520 -18.978 6.228 872 2HE LYS 113 1HE LYS 113 -5.343 -20.516 5.982 873 1HZ LYS 113 1HZ LYS 113 -5.875 -18.650 4.376 874 2HZ LYS 113 2HZ LYS 113 -6.738 -17.927 5.645 875 3HZ LYS 113 3HZ LYS 113 -7.200 -19.452 5.067 Start of MODEL 10 1 1H MET 1 1HT MET 1 3.394 3.460 -13.089 2 2H MET 1 2HT MET 1 2.243 2.940 -11.967 3 3H MET 1 3HT MET 1 3.144 1.808 -12.842 4 HA MET 1 HA MET 1 5.169 2.579 -11.785 5 1HB MET 1 2HB MET 1 3.963 4.865 -11.328 6 2HB MET 1 1HB MET 1 3.438 4.085 -9.845 7 1HG MET 1 2HG MET 1 5.646 3.866 -9.061 8 2HG MET 1 1HG MET 1 6.327 4.247 -10.642 9 1HE MET 1 1HE MET 1 4.372 6.635 -11.498 10 2HE MET 1 2HE MET 1 6.115 6.725 -11.767 11 3HE MET 1 3HE MET 1 5.277 8.054 -10.966 12 H ARG 2 H ARG 2 5.559 2.013 -9.287 13 HA ARG 2 HA ARG 2 4.120 -0.486 -8.946 14 1HB ARG 2 2HB ARG 2 6.559 0.603 -7.540 15 2HB ARG 2 1HB ARG 2 5.915 -1.020 -7.375 16 1HG ARG 2 2HG ARG 2 6.434 -1.540 -9.641 17 2HG ARG 2 1HG ARG 2 6.876 0.135 -9.966 18 1HD ARG 2 2HD ARG 2 8.726 -0.067 -8.347 19 2HD ARG 2 1HD ARG 2 8.293 -1.759 -8.095 20 HE ARG 2 HE ARG 2 8.666 -1.386 -10.826 21 1HH1 ARG 2 1HH1 ARG 2 10.605 -1.233 -7.928 22 2HH1 ARG 2 2HH1 ARG 2 12.067 -1.725 -8.720 23 1HH2 ARG 2 1HH2 ARG 2 10.575 -2.006 -11.880 24 2HH2 ARG 2 2HH2 ARG 2 12.052 -2.164 -10.978 25 H ILE 3 H ILE 3 2.565 -0.737 -7.491 26 HA ILE 3 HA ILE 3 2.401 1.200 -5.268 27 HB ILE 3 HB ILE 3 0.019 -0.148 -6.550 28 1HG1 ILE 3 2HG1 ILE 3 1.007 2.683 -6.952 29 2HG1 ILE 3 1HG1 ILE 3 1.088 1.398 -8.151 30 1HG2 ILE 3 1HG2 ILE 3 0.232 2.169 -4.626 31 2HG2 ILE 3 2HG2 ILE 3 -0.296 0.534 -4.225 32 3HG2 ILE 3 3HG2 ILE 3 -1.263 1.535 -5.311 33 1HD1 ILE 3 1HD1 ILE 3 -1.433 2.545 -6.972 34 2HD1 ILE 3 2HD1 ILE 3 -1.348 1.278 -8.196 35 3HD1 ILE 3 3HD1 ILE 3 -0.781 2.905 -8.569 36 H PHE 4 H PHE 4 1.847 0.422 -3.268 37 HA PHE 4 HA PHE 4 1.936 -2.469 -2.890 38 1HB PHE 4 2HB PHE 4 3.281 -1.082 -1.382 39 2HB PHE 4 1HB PHE 4 1.848 -0.178 -0.904 40 HD1 PHE 4 HD1 PHE 4 0.465 -0.935 0.827 41 HD2 PHE 4 HD2 PHE 4 3.437 -3.517 -0.785 42 HE1 PHE 4 HE1 PHE 4 0.071 -2.531 2.662 43 HE2 PHE 4 HE2 PHE 4 3.048 -5.111 1.040 44 HZ PHE 4 HZ PHE 4 1.364 -4.624 2.765 45 H VAL 5 H VAL 5 0.051 -3.509 -3.137 46 HA VAL 5 HA VAL 5 -2.432 -2.062 -2.678 47 HB VAL 5 HB VAL 5 -1.987 -4.836 -3.796 48 1HG1 VAL 5 1HG1 VAL 5 -4.322 -4.847 -4.377 49 2HG1 VAL 5 2HG1 VAL 5 -4.532 -3.214 -3.747 50 3HG1 VAL 5 3HG1 VAL 5 -4.178 -4.545 -2.647 51 1HG2 VAL 5 1HG2 VAL 5 -2.585 -3.822 -5.937 52 2HG2 VAL 5 2HG2 VAL 5 -1.159 -3.048 -5.243 53 3HG2 VAL 5 3HG2 VAL 5 -2.727 -2.247 -5.156 54 H TYR 6 H TYR 6 -2.869 -1.924 -0.607 55 HA TYR 6 HA TYR 6 -2.674 -4.277 1.095 56 1HB TYR 6 2HB TYR 6 -3.339 -2.579 2.906 57 2HB TYR 6 1HB TYR 6 -1.747 -2.405 2.180 58 HD1 TYR 6 HD1 TYR 6 -1.503 -0.663 0.288 59 HD2 TYR 6 HD2 TYR 6 -4.822 -0.765 2.948 60 HE1 TYR 6 HE1 TYR 6 -2.006 1.680 -0.255 61 HE2 TYR 6 HE2 TYR 6 -5.335 1.574 2.400 62 HH TYR 6 HH TYR 6 -4.143 3.564 1.546 63 H GLY 7 H GLY 7 -4.337 -5.551 0.498 64 1HA GLY 7 2HA GLY 7 -6.651 -5.934 1.410 65 2HA GLY 7 1HA GLY 7 -7.047 -4.389 0.668 66 H SER 8 H SER 8 -8.682 -6.077 -0.236 67 HA SER 8 HA SER 8 -7.701 -7.764 -2.335 68 1HB SER 8 2HB SER 8 -9.795 -8.202 -1.001 69 2HB SER 8 1HB SER 8 -10.557 -6.878 -1.883 70 HG SER 8 HG SER 8 -9.974 -9.445 -2.686 71 H LEU 9 H LEU 9 -7.099 -7.103 -4.274 72 HA LEU 9 HA LEU 9 -8.049 -4.556 -5.344 73 1HB LEU 9 2HB LEU 9 -6.379 -4.889 -7.105 74 2HB LEU 9 1HB LEU 9 -5.666 -4.980 -5.509 75 HG LEU 9 HG LEU 9 -6.466 -7.555 -6.740 76 1HD1 LEU 9 1HD1 LEU 9 -5.503 -6.412 -8.652 77 2HD1 LEU 9 2HD1 LEU 9 -4.400 -7.656 -8.059 78 3HD1 LEU 9 3HD1 LEU 9 -4.094 -5.957 -7.693 79 1HD2 LEU 9 1HD2 LEU 9 -4.034 -6.619 -5.214 80 2HD2 LEU 9 2HD2 LEU 9 -4.360 -8.281 -5.704 81 3HD2 LEU 9 3HD2 LEU 9 -5.412 -7.484 -4.538 82 H ARG 10 H ARG 10 -9.353 -7.392 -5.163 83 HA ARG 10 HA ARG 10 -9.792 -8.084 -7.921 84 1HB ARG 10 2HB ARG 10 -10.860 -9.214 -5.336 85 2HB ARG 10 1HB ARG 10 -11.278 -9.857 -6.921 86 1HG ARG 10 2HG ARG 10 -8.984 -10.408 -7.367 87 2HG ARG 10 1HG ARG 10 -8.466 -9.624 -5.876 88 1HD ARG 10 2HD ARG 10 -9.589 -11.281 -4.550 89 2HD ARG 10 1HD ARG 10 -10.321 -11.998 -5.985 90 HE ARG 10 HE ARG 10 -7.899 -12.451 -6.664 91 1HH1 ARG 10 1HH1 ARG 10 -8.973 -12.401 -3.320 92 2HH1 ARG 10 2HH1 ARG 10 -7.760 -13.524 -2.794 93 1HH2 ARG 10 1HH2 ARG 10 -6.320 -13.918 -5.963 94 2HH2 ARG 10 2HH2 ARG 10 -6.231 -14.367 -4.284 95 H HIS 11 H HIS 11 -10.856 -5.495 -6.653 96 HA HIS 11 HA HIS 11 -13.697 -5.819 -7.323 97 1HB HIS 11 2HB HIS 11 -12.193 -3.733 -5.776 98 2HB HIS 11 1HB HIS 11 -13.795 -3.393 -6.424 99 HD1 HIS 11 HD1 HIS 11 -12.531 -4.057 -3.343 100 HD2 HIS 11 HD2 HIS 11 -15.407 -6.036 -5.610 101 HE1 HIS 11 HE1 HIS 11 -13.922 -5.363 -1.697 102 HE2 HIS 11 HE2 HIS 11 -15.743 -6.443 -3.079 103 H LYS 12 H LYS 12 -14.696 -3.908 -8.472 104 HA LYS 12 HA LYS 12 -13.469 -3.583 -10.994 105 1HB LYS 12 2HB LYS 12 -15.762 -2.031 -9.772 106 2HB LYS 12 1HB LYS 12 -15.318 -2.024 -11.474 107 1HG LYS 12 2HG LYS 12 -15.816 -4.407 -11.622 108 2HG LYS 12 1HG LYS 12 -16.252 -4.427 -9.913 109 1HD LYS 12 2HD LYS 12 -18.272 -4.297 -11.176 110 2HD LYS 12 1HD LYS 12 -18.009 -2.720 -10.430 111 1HE LYS 12 2HE LYS 12 -17.093 -1.877 -12.539 112 2HE LYS 12 1HE LYS 12 -17.352 -3.455 -13.283 113 1HZ LYS 12 1HZ LYS 12 -19.139 -1.972 -13.861 114 2HZ LYS 12 2HZ LYS 12 -19.452 -1.643 -12.226 115 3HZ LYS 12 3HZ LYS 12 -19.737 -3.195 -12.845 116 H GLN 13 H GLN 13 -11.820 -2.364 -11.445 117 HA GLN 13 HA GLN 13 -10.185 -0.825 -11.364 118 1HB GLN 13 2HB GLN 13 -12.439 0.958 -10.443 119 2HB GLN 13 1HB GLN 13 -10.822 1.537 -10.819 120 1HG GLN 13 2HG GLN 13 -12.256 1.949 -12.686 121 2HG GLN 13 1HG GLN 13 -11.085 0.704 -13.122 122 1HE2 GLN 13 1HE2 GLN 13 -14.399 1.357 -12.316 123 2HE2 GLN 13 2HE2 GLN 13 -15.045 -0.106 -12.959 124 H GLY 14 H GLY 14 -10.739 -2.506 -9.025 125 1HA GLY 14 2HA GLY 14 -10.490 -0.864 -6.682 126 2HA GLY 14 1HA GLY 14 -10.497 -2.616 -6.737 127 H ASN 15 H ASN 15 -8.476 0.250 -7.123 128 HA ASN 15 HA ASN 15 -6.482 0.655 -6.092 129 1HB ASN 15 2HB ASN 15 -6.779 -2.186 -5.116 130 2HB ASN 15 1HB ASN 15 -5.418 -1.154 -4.691 131 1HD2 ASN 15 1HD2 ASN 15 -5.723 0.555 -3.288 132 2HD2 ASN 15 2HD2 ASN 15 -7.153 0.731 -2.339 133 H SER 16 H SER 16 -6.896 -0.786 -8.781 134 HA SER 16 HA SER 16 -4.204 -0.752 -9.594 135 1HB SER 16 2HB SER 16 -4.053 -3.249 -10.122 136 2HB SER 16 1HB SER 16 -3.881 -2.801 -8.422 137 HG SER 16 HG SER 16 -5.851 -3.593 -7.991 138 H HIS 17 H HIS 17 -7.172 -2.531 -10.222 139 HA HIS 17 HA HIS 17 -6.981 -2.535 -13.058 140 1HB HIS 17 2HB HIS 17 -8.196 -4.189 -11.663 141 2HB HIS 17 1HB HIS 17 -9.373 -2.958 -11.240 142 HD1 HIS 17 HD1 HIS 17 -8.188 -4.946 -14.250 143 HD2 HIS 17 HD2 HIS 17 -11.449 -2.702 -12.995 144 HE1 HIS 17 HE1 HIS 17 -9.967 -5.310 -15.983 145 HE2 HIS 17 HE2 HIS 17 -11.872 -3.809 -15.289 146 H TRP 18 H TRP 18 -7.262 0.157 -11.314 147 HA TRP 18 HA TRP 18 -9.467 1.626 -11.988 148 1HB TRP 18 2HB TRP 18 -6.577 2.396 -11.799 149 2HB TRP 18 1HB TRP 18 -7.782 3.590 -12.255 150 HD1 TRP 18 HD1 TRP 18 -9.970 3.571 -10.296 151 HE1 TRP 18 HE1 TRP 18 -9.641 3.781 -7.751 152 HE3 TRP 18 HE3 TRP 18 -5.110 2.052 -9.989 153 HZ2 TRP 18 HZ2 TRP 18 -7.577 3.374 -5.863 154 HZ3 TRP 18 HZ3 TRP 18 -4.018 2.007 -7.784 155 HH2 TRP 18 HH2 TRP 18 -5.231 2.650 -5.763 156 H MET 19 H MET 19 -6.551 1.375 -13.964 157 HA MET 19 HA MET 19 -8.251 1.506 -16.359 158 1HB MET 19 2HB MET 19 -5.537 2.790 -16.020 159 2HB MET 19 1HB MET 19 -6.342 2.582 -17.566 160 1HG MET 19 2HG MET 19 -8.275 3.880 -16.278 161 2HG MET 19 1HG MET 19 -6.884 4.498 -15.383 162 1HE MET 19 1HE MET 19 -4.910 3.908 -18.055 163 2HE MET 19 2HE MET 19 -4.588 5.247 -16.950 164 3HE MET 19 3HE MET 19 -4.739 5.550 -18.682 165 H THR 20 H THR 20 -5.058 0.634 -15.092 166 HA THR 20 HA THR 20 -4.717 -1.505 -16.990 167 HB THR 20 HB THR 20 -3.092 -1.532 -14.553 168 HG1 THR 20 HG1 THR 20 -3.141 0.701 -16.327 169 1HG2 THR 20 1HG2 THR 20 -2.426 -1.440 -17.492 170 2HG2 THR 20 2HG2 THR 20 -2.567 -2.893 -16.503 171 3HG2 THR 20 3HG2 THR 20 -1.275 -1.736 -16.189 172 H ASN 21 H ASN 21 -3.563 -3.294 -14.945 173 HA ASN 21 HA ASN 21 -5.943 -4.162 -13.488 174 1HB ASN 21 2HB ASN 21 -4.306 -6.052 -15.200 175 2HB ASN 21 1HB ASN 21 -5.765 -6.437 -14.288 176 1HD2 ASN 21 1HD2 ASN 21 -4.496 -4.577 -16.949 177 2HD2 ASN 21 2HD2 ASN 21 -5.982 -4.404 -17.799 178 H ALA 22 H ALA 22 -2.831 -5.598 -14.283 179 HA ALA 22 HA ALA 22 -1.488 -5.102 -11.894 180 1HB ALA 22 1HB ALA 22 -3.384 -6.316 -10.849 181 2HB ALA 22 2HB ALA 22 -1.825 -7.092 -10.578 182 3HB ALA 22 3HB ALA 22 -2.939 -7.747 -11.778 183 H GLN 23 H GLN 23 0.491 -5.345 -12.635 184 HA GLN 23 HA GLN 23 1.185 -7.954 -13.791 185 1HB GLN 23 2HB GLN 23 1.960 -6.074 -15.154 186 2HB GLN 23 1HB GLN 23 2.749 -5.360 -13.756 187 1HG GLN 23 2HG GLN 23 4.237 -7.325 -13.636 188 2HG GLN 23 1HG GLN 23 3.484 -7.948 -15.102 189 1HE2 GLN 23 1HE2 GLN 23 6.258 -7.180 -14.546 190 2HE2 GLN 23 2HE2 GLN 23 6.663 -5.985 -15.736 191 H LEU 24 H LEU 24 1.419 -9.259 -12.065 192 HA LEU 24 HA LEU 24 2.009 -8.339 -9.484 193 1HB LEU 24 2HB LEU 24 0.782 -10.405 -9.899 194 2HB LEU 24 1HB LEU 24 2.217 -11.132 -10.598 195 HG LEU 24 HG LEU 24 3.348 -11.056 -8.433 196 1HD1 LEU 24 1HD1 LEU 24 0.776 -9.847 -7.431 197 2HD1 LEU 24 2HD1 LEU 24 2.351 -9.056 -7.509 198 3HD1 LEU 24 3HD1 LEU 24 2.102 -10.415 -6.414 199 1HD2 LEU 24 1HD2 LEU 24 0.596 -12.270 -8.289 200 2HD2 LEU 24 2HD2 LEU 24 1.950 -12.666 -7.234 201 3HD2 LEU 24 3HD2 LEU 24 2.042 -13.029 -8.957 202 H LEU 25 H LEU 25 3.825 -7.543 -8.791 203 HA LEU 25 HA LEU 25 6.387 -8.421 -9.817 204 1HB LEU 25 2HB LEU 25 5.619 -6.484 -7.628 205 2HB LEU 25 1HB LEU 25 7.264 -6.793 -8.135 206 HG LEU 25 HG LEU 25 5.096 -5.607 -9.861 207 1HD1 LEU 25 1HD1 LEU 25 7.546 -4.350 -8.639 208 2HD1 LEU 25 2HD1 LEU 25 5.882 -4.094 -8.109 209 3HD1 LEU 25 3HD1 LEU 25 6.391 -3.557 -9.711 210 1HD2 LEU 25 1HD2 LEU 25 8.025 -6.048 -10.435 211 2HD2 LEU 25 2HD2 LEU 25 6.871 -5.225 -11.487 212 3HD2 LEU 25 3HD2 LEU 25 6.685 -6.947 -11.152 213 H GLY 26 H GLY 26 4.498 -8.535 -6.845 214 1HA GLY 26 2HA GLY 26 4.876 -11.108 -6.143 215 2HA GLY 26 1HA GLY 26 6.344 -10.339 -5.553 216 H ASP 27 H ASP 27 4.012 -11.578 -4.094 217 HA ASP 27 HA ASP 27 2.734 -9.360 -2.817 218 1HB ASP 27 2HB ASP 27 1.849 -10.973 -1.194 219 2HB ASP 27 1HB ASP 27 1.552 -11.462 -2.849 220 H PHE 28 H PHE 28 2.925 -8.764 -0.674 221 HA PHE 28 HA PHE 28 5.351 -9.364 0.763 222 1HB PHE 28 2HB PHE 28 6.230 -7.856 -0.931 223 2HB PHE 28 1HB PHE 28 4.977 -6.677 -0.582 224 HD1 PHE 28 HD1 PHE 28 6.285 -4.837 -0.023 225 HD2 PHE 28 HD2 PHE 28 6.965 -8.561 1.919 226 HE1 PHE 28 HE1 PHE 28 7.775 -3.721 1.583 227 HE2 PHE 28 HE2 PHE 28 8.456 -7.451 3.534 228 HZ PHE 28 HZ PHE 28 8.852 -5.021 3.369 229 H SER 29 H SER 29 4.320 -9.694 2.636 230 HA SER 29 HA SER 29 2.334 -7.775 3.564 231 1HB SER 29 2HB SER 29 2.137 -9.401 5.501 232 2HB SER 29 1HB SER 29 1.721 -10.063 3.922 233 HG SER 29 HG SER 29 4.327 -10.442 4.293 234 H ILE 30 H ILE 30 2.824 -6.145 4.926 235 HA ILE 30 HA ILE 30 5.595 -6.097 5.892 236 HB ILE 30 HB ILE 30 5.323 -3.635 6.052 237 1HG1 ILE 30 2HG1 ILE 30 2.712 -4.209 4.640 238 2HG1 ILE 30 1HG1 ILE 30 2.913 -3.444 6.214 239 1HG2 ILE 30 1HG2 ILE 30 4.864 -4.890 3.352 240 2HG2 ILE 30 2HG2 ILE 30 6.419 -4.652 4.154 241 3HG2 ILE 30 3HG2 ILE 30 5.475 -3.259 3.627 242 1HD1 ILE 30 1HD1 ILE 30 3.964 -1.532 5.184 243 2HD1 ILE 30 2HD1 ILE 30 2.398 -1.837 4.431 244 3HD1 ILE 30 3HD1 ILE 30 3.886 -2.310 3.603 245 H ASP 31 H ASP 31 6.016 -6.172 7.928 246 HA ASP 31 HA ASP 31 3.875 -6.245 9.867 247 1HB ASP 31 2HB ASP 31 5.738 -7.900 9.887 248 2HB ASP 31 1HB ASP 31 6.856 -6.594 10.264 249 H ASN 32 H ASN 32 4.101 -5.069 11.917 250 HA ASN 32 HA ASN 32 4.270 -3.179 13.162 251 1HB ASN 32 2HB ASN 32 6.385 -2.392 11.153 252 2HB ASN 32 1HB ASN 32 5.973 -1.432 12.568 253 1HD2 ASN 32 1HD2 ASN 32 7.479 -4.331 11.407 254 2HD2 ASN 32 2HD2 ASN 32 8.254 -4.767 12.888 255 H TYR 33 H TYR 33 2.484 -3.511 10.772 256 HA TYR 33 HA TYR 33 1.601 -0.709 10.786 257 1HB TYR 33 2HB TYR 33 1.671 -2.445 8.307 258 2HB TYR 33 1HB TYR 33 0.906 -0.870 8.413 259 HD1 TYR 33 HD1 TYR 33 2.295 1.165 8.675 260 HD2 TYR 33 HD2 TYR 33 4.025 -2.661 8.020 261 HE1 TYR 33 HE1 TYR 33 4.410 2.242 8.036 262 HE2 TYR 33 HE2 TYR 33 6.145 -1.602 7.374 263 HH TYR 33 HH TYR 33 6.933 0.560 6.510 264 H GLN 34 H GLN 34 -0.640 -0.422 10.707 265 HA GLN 34 HA GLN 34 -2.234 -2.893 10.872 266 1HB GLN 34 2HB GLN 34 -2.440 -0.399 12.556 267 2HB GLN 34 1HB GLN 34 -3.746 -1.576 12.447 268 1HG GLN 34 2HG GLN 34 -2.460 -3.256 13.462 269 2HG GLN 34 1HG GLN 34 -0.960 -2.359 13.232 270 1HE2 GLN 34 1HE2 GLN 34 -3.870 -2.639 15.123 271 2HE2 GLN 34 2HE2 GLN 34 -3.341 -1.650 16.437 272 H LEU 35 H LEU 35 -4.534 -2.607 10.274 273 HA LEU 35 HA LEU 35 -4.660 -0.715 8.013 274 1HB LEU 35 2HB LEU 35 -4.279 -3.072 7.365 275 2HB LEU 35 1HB LEU 35 -5.765 -3.519 8.175 276 HG LEU 35 HG LEU 35 -7.029 -2.110 6.573 277 1HD1 LEU 35 1HD1 LEU 35 -5.902 -1.319 4.553 278 2HD1 LEU 35 2HD1 LEU 35 -4.350 -1.824 5.221 279 3HD1 LEU 35 3HD1 LEU 35 -5.265 -0.533 5.996 280 1HD2 LEU 35 1HD2 LEU 35 -6.781 -4.495 6.186 281 2HD2 LEU 35 2HD2 LEU 35 -5.249 -4.217 5.358 282 3HD2 LEU 35 3HD2 LEU 35 -6.751 -3.614 4.658 283 H TYR 36 H TYR 36 -6.468 0.498 7.803 284 HA TYR 36 HA TYR 36 -8.603 0.114 9.783 285 1HB TYR 36 2HB TYR 36 -7.963 2.481 8.014 286 2HB TYR 36 1HB TYR 36 -9.291 2.412 9.168 287 HD1 TYR 36 HD1 TYR 36 -8.901 2.651 11.525 288 HD2 TYR 36 HD2 TYR 36 -5.652 2.590 8.783 289 HE1 TYR 36 HE1 TYR 36 -7.391 3.463 13.298 290 HE2 TYR 36 HE2 TYR 36 -4.135 3.402 10.528 291 HH TYR 36 HH TYR 36 -4.243 4.609 12.654 292 H SER 37 H SER 37 -10.704 -0.125 9.248 293 HA SER 37 HA SER 37 -11.350 -0.406 6.394 294 1HB SER 37 2HB SER 37 -12.893 -1.423 8.795 295 2HB SER 37 1HB SER 37 -13.229 -1.775 7.099 296 HG SER 37 HG SER 37 -10.664 -2.358 7.780 297 H LEU 38 H LEU 38 -12.028 1.530 5.681 298 HA LEU 38 HA LEU 38 -14.070 2.916 7.277 299 1HB LEU 38 2HB LEU 38 -13.363 4.991 6.006 300 2HB LEU 38 1HB LEU 38 -12.265 4.395 7.230 301 HG LEU 38 HG LEU 38 -11.843 3.706 4.337 302 1HD1 LEU 38 1HD1 LEU 38 -10.431 5.679 4.136 303 2HD1 LEU 38 2HD1 LEU 38 -10.880 6.185 5.764 304 3HD1 LEU 38 3HD1 LEU 38 -12.096 6.144 4.487 305 1HD2 LEU 38 1HD2 LEU 38 -10.526 2.505 6.017 306 2HD2 LEU 38 2HD2 LEU 38 -9.985 4.041 6.697 307 3HD2 LEU 38 3HD2 LEU 38 -9.505 3.582 5.063 308 H GLY 39 H GLY 39 -14.106 0.822 5.043 309 1HA GLY 39 2HA GLY 39 -15.930 0.198 3.770 310 2HA GLY 39 1HA GLY 39 -16.621 1.787 4.038 311 H HIS 40 H HIS 40 -15.456 3.579 2.850 312 HA HIS 40 HA HIS 40 -15.823 3.315 0.131 313 1HB HIS 40 2HB HIS 40 -14.018 5.260 1.593 314 2HB HIS 40 1HB HIS 40 -14.478 5.415 -0.097 315 HD1 HIS 40 HD1 HIS 40 -15.806 5.815 3.378 316 HD2 HIS 40 HD2 HIS 40 -17.058 6.372 -0.544 317 HE1 HIS 40 HE1 HIS 40 -17.915 7.163 3.529 318 HE2 HIS 40 HE2 HIS 40 -18.761 7.310 1.162 319 H TYR 41 H TYR 41 -12.809 3.162 1.938 320 HA TYR 41 HA TYR 41 -11.567 1.437 0.026 321 1HB TYR 41 2HB TYR 41 -9.588 3.107 -0.224 322 2HB TYR 41 1HB TYR 41 -11.009 3.336 -1.236 323 HD1 TYR 41 HD1 TYR 41 -9.395 4.537 1.905 324 HD2 TYR 41 HD2 TYR 41 -12.160 5.370 -1.219 325 HE1 TYR 41 HE1 TYR 41 -9.604 6.850 2.708 326 HE2 TYR 41 HE2 TYR 41 -12.376 7.682 -0.420 327 HH TYR 41 HH TYR 41 -10.252 9.050 1.848 328 HA PRO 42 HA PRO 42 -9.259 0.617 3.734 329 1HB PRO 42 2HB PRO 42 -6.913 -0.340 2.423 330 2HB PRO 42 1HB PRO 42 -8.274 -1.287 3.024 331 1HG PRO 42 2HG PRO 42 -7.597 -0.978 0.351 332 2HG PRO 42 1HG PRO 42 -9.181 -1.496 0.951 333 1HD PRO 42 2HD PRO 42 -8.293 1.198 0.014 334 2HD PRO 42 1HD PRO 42 -9.859 0.385 -0.197 335 H GLY 43 H GLY 43 -7.443 1.200 5.020 336 1HA GLY 43 2HA GLY 43 -5.431 2.983 3.910 337 2HA GLY 43 1HA GLY 43 -6.498 3.696 5.115 338 H ALA 44 H ALA 44 -3.523 2.900 5.092 339 HA ALA 44 HA ALA 44 -3.642 1.206 7.502 340 1HB ALA 44 1HB ALA 44 -1.538 1.101 5.341 341 2HB ALA 44 2HB ALA 44 -2.824 -0.082 5.587 342 3HB ALA 44 3HB ALA 44 -1.570 0.125 6.811 343 H VAL 45 H VAL 45 -1.653 1.378 8.873 344 HA VAL 45 HA VAL 45 -0.127 3.852 8.629 345 HB VAL 45 HB VAL 45 -0.583 4.599 10.915 346 1HG1 VAL 45 1HG1 VAL 45 -1.855 5.699 9.242 347 2HG1 VAL 45 2HG1 VAL 45 -2.927 5.395 10.609 348 3HG1 VAL 45 3HG1 VAL 45 -3.019 4.377 9.170 349 1HG2 VAL 45 1HG2 VAL 45 -2.569 3.659 12.125 350 2HG2 VAL 45 2HG2 VAL 45 -1.175 2.584 12.017 351 3HG2 VAL 45 3HG2 VAL 45 -2.562 2.332 10.958 352 HA PRO 46 HA PRO 46 2.931 1.375 10.768 353 1HB PRO 46 2HB PRO 46 4.166 3.295 12.291 354 2HB PRO 46 1HB PRO 46 4.506 3.024 10.580 355 1HG PRO 46 2HG PRO 46 2.798 5.096 11.876 356 2HG PRO 46 1HG PRO 46 3.859 5.238 10.464 357 1HD PRO 46 2HD PRO 46 1.161 5.022 10.268 358 2HD PRO 46 1HD PRO 46 2.269 4.405 9.028 359 H GLY 47 H GLY 47 2.688 0.095 12.468 360 1HA GLY 47 2HA GLY 47 1.998 1.028 15.083 361 2HA GLY 47 1HA GLY 47 0.640 0.231 14.296 362 H ASN 48 H ASN 48 0.457 -1.845 14.857 363 HA ASN 48 HA ASN 48 2.861 -3.496 14.820 364 1HB ASN 48 2HB ASN 48 2.558 -2.864 17.188 365 2HB ASN 48 1HB ASN 48 0.931 -3.539 17.150 366 1HD2 ASN 48 1HD2 ASN 48 4.347 -4.297 16.897 367 2HD2 ASN 48 2HD2 ASN 48 4.201 -5.975 17.327 368 H GLY 49 H GLY 49 2.134 -4.386 12.958 369 1HA GLY 49 2HA GLY 49 0.643 -6.751 13.203 370 2HA GLY 49 1HA GLY 49 -0.376 -5.517 12.469 371 H THR 50 H THR 50 0.284 -7.781 11.032 372 HA THR 50 HA THR 50 2.331 -6.803 9.159 373 HB THR 50 HB THR 50 1.376 -9.655 9.462 374 HG1 THR 50 HG1 THR 50 3.125 -8.170 10.968 375 1HG2 THR 50 1HG2 THR 50 2.359 -9.107 7.283 376 2HG2 THR 50 2HG2 THR 50 3.412 -10.183 8.203 377 3HG2 THR 50 3HG2 THR 50 3.790 -8.464 8.089 378 H VAL 51 H VAL 51 1.361 -5.790 7.508 379 HA VAL 51 HA VAL 51 -1.414 -6.365 6.902 380 HB VAL 51 HB VAL 51 0.466 -4.351 5.646 381 1HG1 VAL 51 1HG1 VAL 51 -2.541 -4.578 5.469 382 2HG1 VAL 51 2HG1 VAL 51 -1.407 -4.952 4.173 383 3HG1 VAL 51 3HG1 VAL 51 -1.556 -3.296 4.766 384 1HG2 VAL 51 1HG2 VAL 51 -1.647 -4.004 7.774 385 2HG2 VAL 51 2HG2 VAL 51 -0.724 -2.703 7.023 386 3HG2 VAL 51 3HG2 VAL 51 0.098 -3.907 8.017 387 H HIS 52 H HIS 52 -2.003 -7.832 5.510 388 HA HIS 52 HA HIS 52 -0.157 -9.073 3.714 389 1HB HIS 52 2HB HIS 52 -3.153 -9.364 4.027 390 2HB HIS 52 1HB HIS 52 -2.170 -10.344 2.952 391 HD1 HIS 52 HD1 HIS 52 -0.762 -12.220 3.999 392 HD2 HIS 52 HD2 HIS 52 -2.889 -9.953 6.765 393 HE1 HIS 52 HE1 HIS 52 -0.639 -13.493 6.162 394 HE2 HIS 52 HE2 HIS 52 -2.203 -12.262 7.708 395 H GLY 53 H GLY 53 0.551 -7.764 2.133 396 1HA GLY 53 2HA GLY 53 -1.504 -6.750 0.286 397 2HA GLY 53 1HA GLY 53 -0.138 -5.742 0.754 398 H GLU 54 H GLU 54 -0.631 -6.295 -1.889 399 HA GLU 54 HA GLU 54 1.680 -7.996 -2.531 400 1HB GLU 54 2HB GLU 54 -0.882 -7.690 -4.113 401 2HB GLU 54 1HB GLU 54 0.556 -8.511 -4.707 402 1HG GLU 54 2HG GLU 54 0.370 -10.106 -2.827 403 2HG GLU 54 1HG GLU 54 -1.131 -9.317 -2.344 404 H VAL 55 H VAL 55 3.195 -7.129 -3.853 405 HA VAL 55 HA VAL 55 2.911 -4.303 -4.490 406 HB VAL 55 HB VAL 55 5.289 -6.117 -4.971 407 1HG1 VAL 55 1HG1 VAL 55 6.561 -4.005 -5.056 408 2HG1 VAL 55 2HG1 VAL 55 5.044 -3.110 -4.930 409 3HG1 VAL 55 3HG1 VAL 55 5.355 -4.121 -6.342 410 1HG2 VAL 55 1HG2 VAL 55 4.769 -6.053 -2.603 411 2HG2 VAL 55 2HG2 VAL 55 4.697 -4.290 -2.645 412 3HG2 VAL 55 3HG2 VAL 55 6.229 -5.117 -2.927 413 H TYR 56 H TYR 56 2.214 -3.607 -6.399 414 HA TYR 56 HA TYR 56 2.359 -5.485 -8.662 415 1HB TYR 56 2HB TYR 56 0.087 -3.735 -7.769 416 2HB TYR 56 1HB TYR 56 0.214 -4.275 -9.437 417 HD1 TYR 56 HD1 TYR 56 -1.055 -5.048 -6.246 418 HD2 TYR 56 HD2 TYR 56 0.508 -6.851 -9.758 419 HE1 TYR 56 HE1 TYR 56 -2.172 -7.152 -5.655 420 HE2 TYR 56 HE2 TYR 56 -0.604 -8.962 -9.180 421 HH TYR 56 HH TYR 56 -1.409 -10.015 -6.774 422 H ARG 57 H ARG 57 2.318 -4.608 -10.735 423 HA ARG 57 HA ARG 57 3.432 -1.897 -10.970 424 1HB ARG 57 2HB ARG 57 4.955 -3.698 -11.640 425 2HB ARG 57 1HB ARG 57 3.739 -4.340 -12.727 426 1HG ARG 57 2HG ARG 57 4.804 -1.565 -13.098 427 2HG ARG 57 1HG ARG 57 5.699 -2.966 -13.690 428 1HD ARG 57 2HD ARG 57 3.497 -3.636 -14.829 429 2HD ARG 57 1HD ARG 57 2.982 -1.981 -14.508 430 HE ARG 57 HE ARG 57 5.502 -2.362 -15.932 431 1HH1 ARG 57 1HH1 ARG 57 2.122 -1.472 -16.017 432 2HH1 ARG 57 2HH1 ARG 57 2.187 -0.830 -17.634 433 1HH2 ARG 57 1HH2 ARG 57 5.603 -1.556 -18.067 434 2HH2 ARG 57 2HH2 ARG 57 4.174 -0.883 -18.801 435 H ILE 58 H ILE 58 1.886 -0.521 -11.599 436 HA ILE 58 HA ILE 58 0.126 -1.364 -13.806 437 HB ILE 58 HB ILE 58 -1.361 0.592 -13.004 438 1HG1 ILE 58 2HG1 ILE 58 -1.309 0.677 -10.417 439 2HG1 ILE 58 1HG1 ILE 58 0.355 0.121 -10.575 440 1HG2 ILE 58 1HG2 ILE 58 -1.210 -1.979 -11.453 441 2HG2 ILE 58 2HG2 ILE 58 -2.060 -1.711 -12.976 442 3HG2 ILE 58 3HG2 ILE 58 -2.600 -0.895 -11.509 443 1HD1 ILE 58 1HD1 ILE 58 0.283 2.514 -10.328 444 2HD1 ILE 58 2HD1 ILE 58 -0.805 2.654 -11.709 445 3HD1 ILE 58 3HD1 ILE 58 0.852 2.098 -11.943 446 H ASP 59 H ASP 59 -0.712 0.751 -14.988 447 HA ASP 59 HA ASP 59 1.406 1.940 -16.321 448 1HB ASP 59 2HB ASP 59 -0.808 1.954 -17.264 449 2HB ASP 59 1HB ASP 59 -1.414 2.950 -15.941 450 H ASN 60 H ASN 60 2.730 3.633 -15.970 451 HA ASN 60 HA ASN 60 2.920 4.753 -13.380 452 1HB ASN 60 2HB ASN 60 4.311 5.487 -15.963 453 2HB ASN 60 1HB ASN 60 4.700 6.205 -14.403 454 1HD2 ASN 60 1HD2 ASN 60 6.789 5.411 -14.386 455 2HD2 ASN 60 2HD2 ASN 60 7.142 3.725 -14.168 456 H ALA 61 H ALA 61 1.700 6.054 -16.448 457 HA ALA 61 HA ALA 61 1.331 8.705 -15.582 458 1HB ALA 61 1HB ALA 61 1.289 8.042 -17.946 459 2HB ALA 61 2HB ALA 61 -0.147 8.959 -17.495 460 3HB ALA 61 3HB ALA 61 -0.241 7.208 -17.677 461 H THR 62 H THR 62 -0.866 5.918 -15.588 462 HA THR 62 HA THR 62 -3.134 7.075 -14.485 463 HB THR 62 HB THR 62 -2.066 4.312 -13.814 464 HG1 THR 62 HG1 THR 62 -2.254 4.891 -16.141 465 1HG2 THR 62 1HG2 THR 62 -3.976 4.956 -12.438 466 2HG2 THR 62 2HG2 THR 62 -4.456 3.726 -13.609 467 3HG2 THR 62 3HG2 THR 62 -4.881 5.416 -13.881 468 H LEU 63 H LEU 63 -0.209 5.964 -12.927 469 HA LEU 63 HA LEU 63 -1.116 6.204 -10.246 470 1HB LEU 63 2HB LEU 63 0.831 4.806 -11.072 471 2HB LEU 63 1HB LEU 63 1.736 6.295 -11.234 472 HG LEU 63 HG LEU 63 2.110 4.858 -9.134 473 1HD1 LEU 63 1HD1 LEU 63 1.476 7.790 -8.857 474 2HD1 LEU 63 2HD1 LEU 63 3.018 7.090 -9.357 475 3HD1 LEU 63 3HD1 LEU 63 2.420 6.830 -7.718 476 1HD2 LEU 63 1HD2 LEU 63 -0.225 4.458 -8.606 477 2HD2 LEU 63 2HD2 LEU 63 -0.487 6.189 -8.385 478 3HD2 LEU 63 3HD2 LEU 63 0.578 5.308 -7.285 479 H ALA 64 H ALA 64 1.009 8.182 -12.286 480 HA ALA 64 HA ALA 64 1.349 10.301 -10.491 481 1HB ALA 64 1HB ALA 64 2.747 9.945 -12.472 482 2HB ALA 64 2HB ALA 64 2.102 11.586 -12.412 483 3HB ALA 64 3HB ALA 64 1.392 10.397 -13.505 484 H GLU 65 H GLU 65 -1.256 9.529 -12.704 485 HA GLU 65 HA GLU 65 -2.428 12.156 -12.570 486 1HB GLU 65 2HB GLU 65 -2.850 10.692 -14.482 487 2HB GLU 65 1HB GLU 65 -3.646 9.528 -13.429 488 1HG GLU 65 2HG GLU 65 -5.403 11.098 -12.945 489 2HG GLU 65 1HG GLU 65 -4.577 12.352 -13.869 490 H LEU 66 H LEU 66 -3.124 9.030 -11.062 491 HA LEU 66 HA LEU 66 -5.299 9.860 -9.489 492 1HB LEU 66 2HB LEU 66 -4.589 7.500 -9.973 493 2HB LEU 66 1HB LEU 66 -3.265 7.716 -8.849 494 HG LEU 66 HG LEU 66 -6.145 8.015 -7.995 495 1HD1 LEU 66 1HD1 LEU 66 -6.080 5.704 -7.265 496 2HD1 LEU 66 2HD1 LEU 66 -4.457 5.518 -7.929 497 3HD1 LEU 66 3HD1 LEU 66 -5.825 5.800 -9.007 498 1HD2 LEU 66 1HD2 LEU 66 -4.470 8.914 -6.456 499 2HD2 LEU 66 2HD2 LEU 66 -3.612 7.373 -6.474 500 3HD2 LEU 66 3HD2 LEU 66 -5.233 7.472 -5.785 501 H ASP 67 H ASP 67 -1.830 9.699 -8.836 502 HA ASP 67 HA ASP 67 -1.957 10.398 -6.120 503 1HB ASP 67 2HB ASP 67 -0.024 9.363 -7.433 504 2HB ASP 67 1HB ASP 67 0.371 11.000 -7.932 505 H ALA 68 H ALA 68 -1.470 12.379 -9.014 506 HA ALA 68 HA ALA 68 -1.012 14.805 -7.631 507 1HB ALA 68 1HB ALA 68 -0.358 14.413 -9.962 508 2HB ALA 68 2HB ALA 68 -1.333 15.872 -9.783 509 3HB ALA 68 3HB ALA 68 -2.059 14.397 -10.427 510 H LEU 69 H LEU 69 -3.906 13.132 -8.611 511 HA LEU 69 HA LEU 69 -5.600 15.425 -8.120 512 1HB LEU 69 2HB LEU 69 -6.048 12.633 -9.083 513 2HB LEU 69 1HB LEU 69 -7.404 13.571 -8.484 514 HG LEU 69 HG LEU 69 -5.602 14.389 -10.765 515 1HD1 LEU 69 1HD1 LEU 69 -8.434 13.349 -10.772 516 2HD1 LEU 69 2HD1 LEU 69 -7.012 12.482 -11.348 517 3HD1 LEU 69 3HD1 LEU 69 -7.550 13.943 -12.177 518 1HD2 LEU 69 1HD2 LEU 69 -7.260 16.159 -11.108 519 2HD2 LEU 69 2HD2 LEU 69 -6.497 16.284 -9.521 520 3HD2 LEU 69 3HD2 LEU 69 -8.124 15.623 -9.665 521 H ARG 70 H ARG 70 -5.035 12.247 -6.596 522 HA ARG 70 HA ARG 70 -7.170 12.800 -4.723 523 1HB ARG 70 2HB ARG 70 -6.938 10.570 -5.765 524 2HB ARG 70 1HB ARG 70 -5.387 10.374 -4.961 525 1HG ARG 70 2HG ARG 70 -6.326 10.069 -2.900 526 2HG ARG 70 1HG ARG 70 -7.793 10.968 -3.313 527 1HD ARG 70 2HD ARG 70 -8.080 8.973 -5.035 528 2HD ARG 70 1HD ARG 70 -7.071 8.135 -3.854 529 HE ARG 70 HE ARG 70 -8.783 8.667 -2.179 530 1HH1 ARG 70 1HH1 ARG 70 -9.645 8.799 -5.581 531 2HH1 ARG 70 2HH1 ARG 70 -11.357 8.685 -5.286 532 1HH2 ARG 70 1HH2 ARG 70 -11.035 8.526 -1.793 533 2HH2 ARG 70 2HH2 ARG 70 -12.146 8.551 -3.127 534 H THR 71 H THR 71 -3.666 12.343 -4.676 535 HA THR 71 HA THR 71 -3.667 12.853 -1.811 536 HB THR 71 HB THR 71 -1.025 12.491 -2.661 537 HG1 THR 71 HG1 THR 71 -1.099 10.831 -4.114 538 1HG2 THR 71 1HG2 THR 71 -2.056 11.666 -0.600 539 2HG2 THR 71 2HG2 THR 71 -1.262 10.358 -1.478 540 3HG2 THR 71 3HG2 THR 71 -3.020 10.524 -1.540 541 H ARG 72 H ARG 72 -1.238 13.837 -4.179 542 HA ARG 72 HA ARG 72 -0.069 15.741 -4.479 543 1HB ARG 72 2HB ARG 72 -2.312 16.317 -5.409 544 2HB ARG 72 1HB ARG 72 -2.679 17.096 -3.880 545 1HG ARG 72 2HG ARG 72 -0.650 18.534 -4.256 546 2HG ARG 72 1HG ARG 72 -0.596 17.867 -5.891 547 1HD ARG 72 2HD ARG 72 -1.805 19.874 -6.075 548 2HD ARG 72 1HD ARG 72 -3.007 18.583 -6.106 549 HE ARG 72 HE ARG 72 -2.490 19.710 -3.491 550 1HH1 ARG 72 1HH1 ARG 72 -4.461 19.842 -6.378 551 2HH1 ARG 72 2HH1 ARG 72 -5.765 20.703 -5.613 552 1HH2 ARG 72 1HH2 ARG 72 -4.197 20.800 -2.461 553 2HH2 ARG 72 2HH2 ARG 72 -5.612 21.246 -3.371 554 H GLY 73 H GLY 73 -2.330 16.968 -2.036 555 1HA GLY 73 2HA GLY 73 -0.132 18.234 -0.626 556 2HA GLY 73 1HA GLY 73 -1.845 18.399 -0.262 557 H GLY 74 H GLY 74 -2.815 16.081 0.357 558 1HA GLY 74 2HA GLY 74 -1.416 14.026 1.404 559 2HA GLY 74 1HA GLY 74 -1.280 15.240 2.661 560 H GLU 75 H GLU 75 -3.951 13.968 0.595 561 HA GLU 75 HA GLU 75 -5.690 13.779 2.874 562 1HB GLU 75 2HB GLU 75 -6.535 13.926 0.499 563 2HB GLU 75 1HB GLU 75 -5.949 12.287 0.245 564 1HG GLU 75 2HG GLU 75 -7.442 11.468 1.987 565 2HG GLU 75 1HG GLU 75 -8.016 13.106 2.278 566 H TYR 76 H TYR 76 -3.369 11.821 1.235 567 HA TYR 76 HA TYR 76 -3.278 10.037 3.561 568 1HB TYR 76 2HB TYR 76 -2.600 8.951 0.844 569 2HB TYR 76 1HB TYR 76 -3.065 8.081 2.300 570 HD1 TYR 76 HD1 TYR 76 -5.524 8.315 3.064 571 HD2 TYR 76 HD2 TYR 76 -4.147 9.363 -0.823 572 HE1 TYR 76 HE1 TYR 76 -7.828 8.173 2.221 573 HE2 TYR 76 HE2 TYR 76 -6.440 9.227 -1.683 574 HH TYR 76 HH TYR 76 -9.055 9.410 0.038 575 H ALA 77 H ALA 77 -1.129 9.356 4.045 576 HA ALA 77 HA ALA 77 0.912 11.133 2.985 577 1HB ALA 77 1HB ALA 77 0.805 10.677 5.410 578 2HB ALA 77 2HB ALA 77 2.360 10.238 4.701 579 3HB ALA 77 3HB ALA 77 1.180 8.984 5.086 580 H ARG 78 H ARG 78 1.992 10.610 1.227 581 HA ARG 78 HA ARG 78 2.121 7.931 0.243 582 1HB ARG 78 2HB ARG 78 3.493 10.479 -0.585 583 2HB ARG 78 1HB ARG 78 3.745 8.944 -1.401 584 1HG ARG 78 2HG ARG 78 1.530 8.860 -2.166 585 2HG ARG 78 1HG ARG 78 1.016 10.140 -1.063 586 1HD ARG 78 2HD ARG 78 3.020 10.536 -3.268 587 2HD ARG 78 1HD ARG 78 1.294 10.837 -3.454 588 HE ARG 78 HE ARG 78 2.307 12.217 -1.200 589 1HH1 ARG 78 1HH1 ARG 78 2.176 12.332 -4.710 590 2HH1 ARG 78 2HH1 ARG 78 2.456 14.058 -4.780 591 1HH2 ARG 78 1HH2 ARG 78 2.647 14.487 -1.306 592 2HH2 ARG 78 2HH2 ARG 78 2.711 15.266 -2.855 593 H GLN 79 H GLN 79 3.188 6.545 1.451 594 HA GLN 79 HA GLN 79 5.838 7.277 2.487 595 1HB GLN 79 2HB GLN 79 4.091 6.365 4.070 596 2HB GLN 79 1HB GLN 79 4.130 4.868 3.159 597 1HG GLN 79 2HG GLN 79 6.443 4.520 3.749 598 2HG GLN 79 1HG GLN 79 6.487 6.069 4.588 599 1HE2 GLN 79 1HE2 GLN 79 3.720 3.946 4.720 600 2HE2 GLN 79 2HE2 GLN 79 3.917 3.481 6.371 601 H LEU 80 H LEU 80 7.209 6.919 0.807 602 HA LEU 80 HA LEU 80 6.847 4.683 -0.953 603 1HB LEU 80 2HB LEU 80 7.845 6.847 -1.685 604 2HB LEU 80 1HB LEU 80 9.249 6.485 -0.695 605 HG LEU 80 HG LEU 80 9.585 4.404 -2.046 606 1HD1 LEU 80 1HD1 LEU 80 8.453 4.254 -4.210 607 2HD1 LEU 80 2HD1 LEU 80 7.455 5.644 -3.783 608 3HD1 LEU 80 3HD1 LEU 80 7.314 4.141 -2.869 609 1HD2 LEU 80 1HD2 LEU 80 10.865 6.440 -2.488 610 2HD2 LEU 80 2HD2 LEU 80 9.595 7.003 -3.575 611 3HD2 LEU 80 3HD2 LEU 80 10.525 5.559 -3.978 612 H ILE 81 H ILE 81 7.293 2.710 -0.355 613 HA ILE 81 HA ILE 81 9.460 2.277 1.581 614 HB ILE 81 HB ILE 81 8.401 0.077 2.016 615 1HG1 ILE 81 2HG1 ILE 81 6.063 1.136 0.430 616 2HG1 ILE 81 1HG1 ILE 81 7.230 0.010 -0.241 617 1HG2 ILE 81 1HG2 ILE 81 7.949 1.941 3.477 618 2HG2 ILE 81 2HG2 ILE 81 6.474 0.993 3.275 619 3HG2 ILE 81 3HG2 ILE 81 6.675 2.515 2.402 620 1HD1 ILE 81 1HD1 ILE 81 5.511 -0.507 2.172 621 2HD1 ILE 81 2HD1 ILE 81 6.623 -1.645 1.409 622 3HD1 ILE 81 3HD1 ILE 81 5.192 -1.093 0.540 623 H GLN 82 H GLN 82 11.097 0.933 1.121 624 HA GLN 82 HA GLN 82 11.354 0.127 -1.667 625 1HB GLN 82 2HB GLN 82 13.413 -0.011 0.545 626 2HB GLN 82 1HB GLN 82 13.704 -0.267 -1.167 627 1HG GLN 82 2HG GLN 82 13.002 2.316 0.211 628 2HG GLN 82 1HG GLN 82 14.516 1.895 -0.577 629 1HE2 GLN 82 1HE2 GLN 82 11.095 1.757 -1.559 630 2HE2 GLN 82 2HE2 GLN 82 11.313 2.590 -3.054 631 H THR 83 H THR 83 10.766 -1.778 -2.263 632 HA THR 83 HA THR 83 10.386 -3.816 -0.189 633 HB THR 83 HB THR 83 8.715 -4.782 -1.639 634 HG1 THR 83 HG1 THR 83 8.333 -3.382 -3.676 635 1HG2 THR 83 1HG2 THR 83 7.986 -2.865 -0.308 636 2HG2 THR 83 2HG2 THR 83 7.127 -2.920 -1.847 637 3HG2 THR 83 3HG2 THR 83 8.447 -1.770 -1.615 638 HA PRO 84 HA PRO 84 13.292 -6.635 -2.149 639 1HB PRO 84 2HB PRO 84 11.199 -8.721 -2.226 640 2HB PRO 84 1HB PRO 84 12.764 -8.731 -1.409 641 1HG PRO 84 2HG PRO 84 10.482 -8.500 -0.028 642 2HG PRO 84 1HG PRO 84 11.951 -7.631 0.457 643 1HD PRO 84 2HD PRO 84 9.538 -6.616 -0.996 644 2HD PRO 84 1HD PRO 84 10.486 -5.841 0.290 645 H TYR 85 H TYR 85 10.569 -5.482 -3.588 646 HA TYR 85 HA TYR 85 11.203 -6.736 -6.175 647 1HB TYR 85 2HB TYR 85 8.538 -5.550 -5.376 648 2HB TYR 85 1HB TYR 85 8.897 -6.519 -6.803 649 HD1 TYR 85 HD1 TYR 85 7.959 -6.566 -3.328 650 HD2 TYR 85 HD2 TYR 85 9.446 -8.963 -6.510 651 HE1 TYR 85 HE1 TYR 85 7.351 -8.591 -2.080 652 HE2 TYR 85 HE2 TYR 85 8.836 -10.996 -5.269 653 HH TYR 85 HH TYR 85 6.890 -10.874 -2.401 654 H GLY 86 H GLY 86 12.067 -4.237 -4.589 655 1HA GLY 86 2HA GLY 86 13.168 -2.508 -5.928 656 2HA GLY 86 1HA GLY 86 11.676 -2.377 -6.845 657 H SER 87 H SER 87 9.828 -1.439 -5.820 658 HA SER 87 HA SER 87 10.058 0.067 -3.415 659 1HB SER 87 2HB SER 87 11.684 1.321 -4.769 660 2HB SER 87 1HB SER 87 10.498 1.494 -6.057 661 HG SER 87 HG SER 87 9.817 3.206 -5.081 662 H ALA 88 H ALA 88 8.076 0.960 -2.883 663 HA ALA 88 HA ALA 88 5.980 1.052 -4.916 664 1HB ALA 88 1HB ALA 88 5.913 -1.253 -4.098 665 2HB ALA 88 2HB ALA 88 4.461 -0.363 -3.643 666 3HB ALA 88 3HB ALA 88 5.723 -0.662 -2.447 667 H TRP 89 H TRP 89 4.257 2.388 -4.393 668 HA TRP 89 HA TRP 89 4.731 4.250 -2.236 669 1HB TRP 89 2HB TRP 89 2.558 4.094 -4.337 670 2HB TRP 89 1HB TRP 89 2.649 5.359 -3.124 671 HD1 TRP 89 HD1 TRP 89 4.023 4.358 -6.451 672 HE1 TRP 89 HE1 TRP 89 5.637 6.168 -7.274 673 HE3 TRP 89 HE3 TRP 89 4.435 7.114 -2.166 674 HZ2 TRP 89 HZ2 TRP 89 6.932 8.454 -6.265 675 HZ3 TRP 89 HZ3 TRP 89 5.886 9.102 -2.179 676 HH2 TRP 89 HH2 TRP 89 7.109 9.757 -4.188 677 H MET 90 H MET 90 4.033 3.923 -0.253 678 HA MET 90 HA MET 90 1.656 2.257 0.217 679 1HB MET 90 2HB MET 90 3.919 1.761 1.302 680 2HB MET 90 1HB MET 90 3.681 3.226 2.244 681 1HG MET 90 2HG MET 90 1.668 1.013 2.256 682 2HG MET 90 1HG MET 90 3.088 0.981 3.298 683 1HE MET 90 1HE MET 90 0.435 1.901 5.922 684 2HE MET 90 2HE MET 90 1.835 0.902 5.532 685 3HE MET 90 3HE MET 90 0.339 0.721 4.615 686 H TYR 91 H TYR 91 -0.208 3.327 0.627 687 HA TYR 91 HA TYR 91 -0.036 6.166 1.300 688 1HB TYR 91 2HB TYR 91 -2.279 4.472 0.206 689 2HB TYR 91 1HB TYR 91 -2.538 6.113 0.787 690 HD1 TYR 91 HD1 TYR 91 -0.796 4.086 -1.780 691 HD2 TYR 91 HD2 TYR 91 -1.961 8.000 -0.552 692 HE1 TYR 91 HE1 TYR 91 -0.184 4.962 -3.995 693 HE2 TYR 91 HE2 TYR 91 -1.323 8.884 -2.755 694 HH TYR 91 HH TYR 91 -0.038 8.367 -4.666 695 H VAL 92 H VAL 92 0.023 6.595 3.392 696 HA VAL 92 HA VAL 92 -1.534 4.999 5.290 697 HB VAL 92 HB VAL 92 0.756 6.912 5.536 698 1HG1 VAL 92 1HG1 VAL 92 -0.907 7.885 7.059 699 2HG1 VAL 92 2HG1 VAL 92 0.428 7.151 7.947 700 3HG1 VAL 92 3HG1 VAL 92 -1.118 6.312 7.829 701 1HG2 VAL 92 1HG2 VAL 92 0.053 4.308 6.882 702 2HG2 VAL 92 2HG2 VAL 92 1.572 5.191 7.067 703 3HG2 VAL 92 3HG2 VAL 92 1.136 4.509 5.499 704 H TYR 93 H TYR 93 -3.217 5.693 6.389 705 HA TYR 93 HA TYR 93 -4.959 7.595 5.468 706 1HB TYR 93 2HB TYR 93 -6.170 6.663 7.102 707 2HB TYR 93 1HB TYR 93 -4.727 5.901 7.752 708 HD1 TYR 93 HD1 TYR 93 -6.903 8.883 8.025 709 HD2 TYR 93 HD2 TYR 93 -3.615 6.764 9.694 710 HE1 TYR 93 HE1 TYR 93 -6.938 10.368 9.983 711 HE2 TYR 93 HE2 TYR 93 -3.652 8.239 11.656 712 HH TYR 93 HH TYR 93 -6.213 10.316 12.355 713 H GLN 94 H GLN 94 -5.174 9.776 5.659 714 HA GLN 94 HA GLN 94 -3.502 11.150 7.630 715 1HB GLN 94 2HB GLN 94 -2.779 11.035 5.018 716 2HB GLN 94 1HB GLN 94 -3.774 12.481 5.008 717 1HG GLN 94 2HG GLN 94 -1.465 13.066 5.329 718 2HG GLN 94 1HG GLN 94 -2.385 13.430 6.786 719 1HE2 GLN 94 1HE2 GLN 94 -1.505 10.170 5.947 720 2HE2 GLN 94 2HE2 GLN 94 -0.342 9.949 7.196 721 H ARG 95 H ARG 95 -6.495 10.510 7.172 722 HA ARG 95 HA ARG 95 -7.376 13.297 7.400 723 1HB ARG 95 2HB ARG 95 -8.784 11.049 5.995 724 2HB ARG 95 1HB ARG 95 -9.630 12.493 6.508 725 1HG ARG 95 2HG ARG 95 -7.265 12.455 4.650 726 2HG ARG 95 1HG ARG 95 -8.950 12.483 4.132 727 1HD ARG 95 2HD ARG 95 -8.467 14.712 4.054 728 2HD ARG 95 1HD ARG 95 -9.057 14.580 5.708 729 HE ARG 95 HE ARG 95 -6.472 14.256 6.130 730 1HH1 ARG 95 1HH1 ARG 95 -8.119 16.526 4.021 731 2HH1 ARG 95 2HH1 ARG 95 -6.859 17.716 4.121 732 1HH2 ARG 95 1HH2 ARG 95 -4.823 15.841 6.271 733 2HH2 ARG 95 2HH2 ARG 95 -4.991 17.333 5.391 734 HA PRO 96 HA PRO 96 -10.403 11.665 10.364 735 1HB PRO 96 2HB PRO 96 -11.713 9.316 9.979 736 2HB PRO 96 1HB PRO 96 -12.011 10.784 9.045 737 1HG PRO 96 2HG PRO 96 -10.873 8.308 8.130 738 2HG PRO 96 1HG PRO 96 -11.179 9.778 7.193 739 1HD PRO 96 2HD PRO 96 -8.673 8.846 8.492 740 2HD PRO 96 1HD PRO 96 -8.889 9.861 7.056 741 H VAL 97 H VAL 97 -10.167 8.314 10.179 742 HA VAL 97 HA VAL 97 -10.222 6.697 11.694 743 HB VAL 97 HB VAL 97 -8.378 6.307 13.182 744 1HG1 VAL 97 1HG1 VAL 97 -7.556 7.343 10.482 745 2HG1 VAL 97 2HG1 VAL 97 -8.119 5.718 10.875 746 3HG1 VAL 97 3HG1 VAL 97 -6.579 6.297 11.510 747 1HG2 VAL 97 1HG2 VAL 97 -7.925 8.519 14.055 748 2HG2 VAL 97 2HG2 VAL 97 -7.383 9.060 12.465 749 3HG2 VAL 97 3HG2 VAL 97 -6.468 7.830 13.337 750 H ASP 98 H ASP 98 -12.186 7.441 12.338 751 HA ASP 98 HA ASP 98 -12.560 7.175 15.084 752 1HB ASP 98 2HB ASP 98 -11.864 9.563 15.150 753 2HB ASP 98 1HB ASP 98 -13.179 9.954 14.049 754 H GLY 99 H GLY 99 -14.330 5.982 15.056 755 1HA GLY 99 2HA GLY 99 -16.506 5.337 14.435 756 2HA GLY 99 1HA GLY 99 -16.503 6.595 13.196 757 H LEU 100 H LEU 100 -13.734 4.615 13.456 758 HA LEU 100 HA LEU 100 -14.525 3.099 11.055 759 1HB LEU 100 2HB LEU 100 -11.747 4.036 11.791 760 2HB LEU 100 1HB LEU 100 -12.196 3.157 10.343 761 HG LEU 100 HG LEU 100 -12.975 5.990 11.033 762 1HD1 LEU 100 1HD1 LEU 100 -11.605 6.582 9.119 763 2HD1 LEU 100 2HD1 LEU 100 -11.225 4.884 8.838 764 3HD1 LEU 100 3HD1 LEU 100 -10.648 5.685 10.298 765 1HD2 LEU 100 1HD2 LEU 100 -13.674 4.319 8.626 766 2HD2 LEU 100 2HD2 LEU 100 -14.010 6.042 8.820 767 3HD2 LEU 100 3HD2 LEU 100 -14.794 4.866 9.875 768 H LYS 101 H LYS 101 -13.256 1.024 10.832 769 HA LYS 101 HA LYS 101 -12.823 -0.110 13.508 770 1HB LYS 101 2HB LYS 101 -13.637 -1.470 10.938 771 2HB LYS 101 1HB LYS 101 -13.220 -2.329 12.417 772 1HG LYS 101 2HG LYS 101 -15.030 -1.018 13.563 773 2HG LYS 101 1HG LYS 101 -15.524 -0.453 11.969 774 1HD LYS 101 2HD LYS 101 -15.976 -2.714 11.261 775 2HD LYS 101 1HD LYS 101 -15.350 -3.350 12.787 776 1HE LYS 101 2HE LYS 101 -17.122 -2.071 13.975 777 2HE LYS 101 1HE LYS 101 -17.788 -1.616 12.408 778 1HZ LYS 101 1HZ LYS 101 -18.252 -3.892 11.924 779 2HZ LYS 101 2HZ LYS 101 -18.896 -3.537 13.453 780 3HZ LYS 101 3HZ LYS 101 -17.453 -4.418 13.325 781 H LEU 102 H LEU 102 -10.921 -0.975 14.038 782 HA LEU 102 HA LEU 102 -8.755 -0.665 12.084 783 1HB LEU 102 2HB LEU 102 -8.469 0.664 14.068 784 2HB LEU 102 1HB LEU 102 -8.776 -0.720 15.099 785 HG LEU 102 HG LEU 102 -6.668 -1.747 14.365 786 1HD1 LEU 102 1HD1 LEU 102 -6.248 0.816 12.832 787 2HD1 LEU 102 2HD1 LEU 102 -6.561 -0.767 12.122 788 3HD1 LEU 102 3HD1 LEU 102 -5.072 -0.486 13.025 789 1HD2 LEU 102 1HD2 LEU 102 -6.640 -0.375 16.352 790 2HD2 LEU 102 2HD2 LEU 102 -6.410 1.079 15.380 791 3HD2 LEU 102 3HD2 LEU 102 -5.142 -0.146 15.449 792 H ILE 103 H ILE 103 -7.806 -2.379 11.270 793 HA ILE 103 HA ILE 103 -8.239 -5.008 12.448 794 HB ILE 103 HB ILE 103 -6.660 -4.324 9.958 795 1HG1 ILE 103 2HG1 ILE 103 -9.560 -5.179 10.167 796 2HG1 ILE 103 1HG1 ILE 103 -9.031 -3.533 9.837 797 1HG2 ILE 103 1HG2 ILE 103 -7.028 -6.665 9.388 798 2HG2 ILE 103 2HG2 ILE 103 -7.948 -6.891 10.873 799 3HG2 ILE 103 3HG2 ILE 103 -6.227 -6.532 10.954 800 1HD1 ILE 103 1HD1 ILE 103 -9.707 -4.694 7.806 801 2HD1 ILE 103 2HD1 ILE 103 -8.485 -5.931 8.106 802 3HD1 ILE 103 3HD1 ILE 103 -7.994 -4.273 7.767 803 H GLU 104 H GLU 104 -7.041 -5.291 14.153 804 HA GLU 104 HA GLU 104 -4.621 -3.982 14.751 805 1HB GLU 104 2HB GLU 104 -5.843 -6.397 16.074 806 2HB GLU 104 1HB GLU 104 -4.663 -5.302 16.780 807 1HG GLU 104 2HG GLU 104 -6.217 -3.544 16.912 808 2HG GLU 104 1HG GLU 104 -7.355 -4.366 15.847 809 H SER 105 H SER 105 -4.449 -5.786 12.333 810 HA SER 105 HA SER 105 -1.939 -7.021 12.912 811 1HB SER 105 2HB SER 105 -4.343 -8.809 12.519 812 2HB SER 105 1HB SER 105 -2.682 -9.360 12.315 813 HG SER 105 HG SER 105 -3.042 -8.039 14.672 814 H GLY 106 H GLY 106 -4.498 -6.255 10.672 815 1HA GLY 106 2HA GLY 106 -3.922 -5.183 8.662 816 2HA GLY 106 1HA GLY 106 -2.358 -5.971 8.721 817 H ASP 107 H ASP 107 -5.109 -8.032 9.195 818 HA ASP 107 HA ASP 107 -4.765 -9.029 6.466 819 1HB ASP 107 2HB ASP 107 -4.868 -10.611 8.473 820 2HB ASP 107 1HB ASP 107 -6.584 -10.216 8.564 821 H TRP 108 H TRP 108 -6.218 -8.706 4.903 822 HA TRP 108 HA TRP 108 -8.149 -6.652 5.253 823 1HB TRP 108 2HB TRP 108 -6.941 -6.949 3.134 824 2HB TRP 108 1HB TRP 108 -7.691 -8.519 2.915 825 HD1 TRP 108 HD1 TRP 108 -9.633 -8.467 1.280 826 HE1 TRP 108 HE1 TRP 108 -11.380 -6.735 0.516 827 HE3 TRP 108 HE3 TRP 108 -8.273 -4.571 4.299 828 HZ2 TRP 108 HZ2 TRP 108 -12.082 -4.067 1.126 829 HZ3 TRP 108 HZ3 TRP 108 -9.533 -2.469 4.152 830 HH2 TRP 108 HH2 TRP 108 -11.400 -2.220 2.595 831 H LEU 109 H LEU 109 -8.313 -10.120 5.403 832 HA LEU 109 HA LEU 109 -11.241 -9.963 5.112 833 1HB LEU 109 2HB LEU 109 -9.643 -12.388 4.356 834 2HB LEU 109 1HB LEU 109 -11.270 -11.948 3.869 835 HG LEU 109 HG LEU 109 -9.857 -9.881 2.819 836 1HD1 LEU 109 1HD1 LEU 109 -7.713 -10.810 3.473 837 2HD1 LEU 109 2HD1 LEU 109 -7.879 -10.789 1.716 838 3HD1 LEU 109 3HD1 LEU 109 -8.077 -12.301 2.604 839 1HD2 LEU 109 1HD2 LEU 109 -10.409 -12.535 1.511 840 2HD2 LEU 109 2HD2 LEU 109 -10.078 -11.016 0.674 841 3HD2 LEU 109 3HD2 LEU 109 -11.532 -11.183 1.657 842 H ASP 110 H ASP 110 -8.569 -11.821 6.509 843 HA ASP 110 HA ASP 110 -8.341 -13.014 8.420 844 1HB ASP 110 2HB ASP 110 -9.306 -11.132 9.615 845 2HB ASP 110 1HB ASP 110 -10.933 -11.682 9.227 846 H ARG 111 H ARG 111 -11.700 -13.083 7.337 847 HA ARG 111 HA ARG 111 -11.916 -15.872 8.116 848 1HB ARG 111 2HB ARG 111 -14.320 -15.549 7.379 849 2HB ARG 111 1HB ARG 111 -13.799 -14.700 8.823 850 1HG ARG 111 2HG ARG 111 -13.563 -12.639 7.548 851 2HG ARG 111 1HG ARG 111 -14.027 -13.486 6.073 852 1HD ARG 111 2HD ARG 111 -16.232 -13.913 6.971 853 2HD ARG 111 1HD ARG 111 -15.774 -13.197 8.517 854 HE ARG 111 HE ARG 111 -15.440 -11.075 7.183 855 1HH1 ARG 111 1HH1 ARG 111 -17.757 -13.543 6.239 856 2HH1 ARG 111 2HH1 ARG 111 -18.767 -12.430 5.360 857 1HH2 ARG 111 1HH2 ARG 111 -16.802 -9.609 6.075 858 2HH2 ARG 111 2HH2 ARG 111 -18.223 -10.203 5.257 859 H ASP 112 H ASP 112 -10.393 -16.391 6.479 860 HA ASP 112 HA ASP 112 -11.640 -16.805 3.860 861 1HB ASP 112 2HB ASP 112 -9.354 -15.672 4.001 862 2HB ASP 112 1HB ASP 112 -8.718 -17.202 4.574 863 H LYS 113 H LYS 113 -9.276 -18.943 3.939 864 HA LYS 113 HA LYS 113 -9.269 -21.227 3.992 865 1HB LYS 113 2HB LYS 113 -10.329 -20.611 6.738 866 2HB LYS 113 1HB LYS 113 -9.753 -22.192 6.233 867 1HG LYS 113 2HG LYS 113 -7.543 -21.197 5.746 868 2HG LYS 113 1HG LYS 113 -8.132 -19.659 6.373 869 1HD LYS 113 2HD LYS 113 -6.867 -20.762 8.091 870 2HD LYS 113 1HD LYS 113 -8.571 -20.767 8.547 871 1HE LYS 113 2HE LYS 113 -7.546 -22.922 9.017 872 2HE LYS 113 1HE LYS 113 -8.772 -23.077 7.760 873 1HZ LYS 113 1HZ LYS 113 -5.899 -22.750 7.110 874 2HZ LYS 113 2HZ LYS 113 -7.147 -23.334 6.114 875 3HZ LYS 113 3HZ LYS 113 -6.580 -24.272 7.407
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